G4V904_SCHMA Loading...

Putative atp-dependent transporter

AlphaFold DB , UniProt , Accession G4V904, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 735 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	46.5	Very low	70	Confident	212 Å²	212	66.5 Å²	66.5	100%	1.044	40%	0.401	S	S	*	.				0	-30.5	0	-84.4	-169.3	-79.3	0	0	111.3	S3 G4 A5	M1-S3 PolarHBondContact O-N 3.21Å; M1-G4 PolarHBondContact O-N 2.94Å; M1-A5 PolarHBondContact O-N 2.78Å
2	E	54.6	Low	70.6	Confident	139 Å²	139	63.9 Å²	63.9	65%	0.65	38%	0.384	S	S	*	.	H	α-helix	trans	-53.7	-46.4	-179.3	-71	158.9	-178.1	0	0	114.8	G4 A5 I6	E2-G4 VanDerWaalsContact C-N 3.29Å; E2-G4 PolarHBondContact O-N 2.76Å; E2-A5 PolarHBondContact O-N 3.24Å; E2-I6 WeakPolarHBondContact O-CG1 3.37Å; E2-I6 PolarHBondContact O-N 2.77Å; E2-I6 VanDerWaalsContact O-N 3.14Å
3	S	62	Low	71.1	Confident	105 Å²	105	59.4 Å²	59.4	73%	0.734	36%	0.356	S	S	*	.	H	α-helix	trans	-64.2	-31.1	-178.5	63.7	0	0	0	0	114.2	M1 S7	M1-S3 PolarHBondContact O-N 3.21Å; S3-S7 PolarHBondContact O-N 3.04Å
4	G	72.6	Confident	71.5	Confident	40 Å²	40	62 Å²	62	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-73.5	-40.6	177.3	0	0	0	0	0	112.3	M1 E2 I6 V8	M1-G4 PolarHBondContact O-N 2.94Å; E2-G4 VanDerWaalsContact C-N 3.29Å; E2-G4 PolarHBondContact O-N 2.76Å; G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.4Å; G4-V8 VanDerWaalsContact O-CG2 3.31Å; G4-V8 WeakPolarHBondContact O-CG2 3.36Å; G4-V8 PolarHBondContact O-N 3.28Å; G4-V8 VanDerWaalsContact O-N 3.13Å
5	A	73.4	Confident	71.9	Confident	17 Å²	17	68.5 Å²	68.5	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-64.7	-39.7	178.2	0	0	0	0	0	111.9	M1 E2 V8 A9 L75	M1-A5 PolarHBondContact O-N 2.78Å; E2-A5 PolarHBondContact O-N 3.24Å; A5-V8 PolarHBondContact O-N 3.36Å; A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 3.09Å; A5-L75 WeakPolarHBondContact CB-O 3.46Å
6	I	74.4	Confident	72	Confident	8 Å²	8	68.7 Å²	68.7	4%	0.041	39%	0.389	C	S	.	.	H	α-helix	trans	-68	-44.1	179.7	-62.8	169.5	0	0	0	110.9	E2 G4 V8 A9 V10 E29 L32 T33 M76	E2-I6 WeakPolarHBondContact O-CG1 3.37Å; E2-I6 PolarHBondContact O-N 2.77Å; E2-I6 VanDerWaalsContact O-N 3.14Å; G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.4Å; I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 PolarHBondContact O-N 3.18Å; I6-A9 WeakPolarHBondContact O-CB 3.29Å; I6-A9 PolarHBondContact O-N 3.38Å; I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.28Å; I6-V10 PolarHBondContact O-N 3.4Å; I6-E29 HydrophobicContact CG2-CG 3.95Å; I6-L32 HydrophobicContact CG2-CB 4.43Å; I6-T33 HydrophobicContact CD1-CG2 3.49Å; I6-T33 VanDerWaalsContact CD1-CG2 3.49Å; I6-T33 HydrophobicContact CG2-CG2 4.44Å; I6-M76 HydrophobicContact CG1-SD 3.97Å
7	S	75.7	Confident	72.2	Confident	68 Å²	68	66.5 Å²	66.5	48%	0.476	37%	0.374	S	S	.	.	H	α-helix	trans	-59.8	-38	174.6	174	0	0	0	0	112.5	S3 S11	S3-S7 PolarHBondContact O-N 3.04Å; S7-S11 PolarHBondContact O-N 3.26Å; S7-S11 PolarHBondContact O-OG 2.86Å
8	V	78.9	Confident	72.1	Confident	65 Å²	65	69.2 Å²	69.2	39%	0.394	40%	0.395	S	S	.	.	H	α-helix	trans	-69.4	-37.7	174.5	177.9	0	0	0	0	111.3	G4 A5 I6 S11 L12 L75	G4-V8 VanDerWaalsContact O-CG2 3.31Å; G4-V8 WeakPolarHBondContact O-CG2 3.36Å; G4-V8 PolarHBondContact O-N 3.28Å; G4-V8 VanDerWaalsContact O-N 3.13Å; A5-V8 PolarHBondContact O-N 3.36Å; I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 PolarHBondContact O-N 3.18Å; V8-S11 VanDerWaalsContact CA-OG 3.29Å; V8-S11 WeakPolarHBondContact CA-OG 3.38Å; V8-S11 PolarHBondContact O-N 3.33Å; V8-S11 PolarHBondContact O-OG 2.97Å; V8-L12 HydrophobicContact CG1-CD1 4.47Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.41Å; V8-L75 HydrophobicContact CB-CD2 4.31Å; V8-L75 HydrophobicContact CG1-CD1 3.99Å; V8-L75 HydrophobicContact CG1-CD2 3.72Å
9	A	76.5	Confident	72.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-63.7	-42.1	174.7	0	0	0	0	0	112.2	A5 I6 L12 F13 I72	A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 3.09Å; I6-A9 WeakPolarHBondContact O-CB 3.29Å; I6-A9 PolarHBondContact O-N 3.38Å; A9-L12 WeakPolarHBondContact O-CB 3.47Å; A9-L12 PolarHBondContact O-N 3.37Å; A9-F13 PolarHBondContact O-N 2.72Å; A9-I72 HydrophobicContact CB-CG1 4.08Å; A9-I72 HydrophobicContact CB-CG2 4.02Å
10	V	76.8	Confident	71.8	Confident	17 Å²	17	67.6 Å²	67.6	10%	0.103	39%	0.391	C	S	.	.	H	α-helix	trans	-68.6	-38.2	178	176.3	0	0	0	0	111.5	I6 F13 K14 E29	I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.28Å; I6-V10 PolarHBondContact O-N 3.4Å; V10-F13 VanDerWaalsContact O-CB 3.26Å; V10-F13 WeakPolarHBondContact O-CB 3.45Å; V10-F13 PolarHBondContact O-N 3.29Å; V10-K14 PolarHBondContact O-N 3.35Å; V10-E29 HydrophobicContact CG2-CB 3.77Å; V10-E29 HydrophobicContact CG2-CG 3.74Å
11	S	78.9	Confident	72	Confident	60 Å²	60	69.5 Å²	69.5	42%	0.42	40%	0.4	S	S	.	.	H	α-helix	trans	-67.5	-38.4	174.3	48.4	0	0	0	0	112.5	S7 V8 F13 K14 E15	S7-S11 PolarHBondContact O-N 3.26Å; S7-S11 PolarHBondContact O-OG 2.86Å; V8-S11 VanDerWaalsContact CA-OG 3.29Å; V8-S11 WeakPolarHBondContact CA-OG 3.38Å; V8-S11 PolarHBondContact O-N 3.33Å; V8-S11 PolarHBondContact O-OG 2.97Å; S11-F13 PolarHBondContact O-N 3.3Å; S11-K14 PolarHBondContact O-N 3.5Å; S11-E15 PolarHBondContact O-N 2.94Å
12	L	77.3	Confident	73.5	Confident	36 Å²	36	64.4 Å²	64.4	19%	0.188	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-38.1	170	-108.4	152.1	0	0	0	112	V8 A9 E15 T16 K71 L75	V8-L12 HydrophobicContact CG1-CD1 4.47Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.41Å; A9-L12 WeakPolarHBondContact O-CB 3.47Å; A9-L12 PolarHBondContact O-N 3.37Å; L12-E15 PolarHBondContact O-N 3.16Å; L12-T16 PolarHBondContact O-N 3.02Å; L12-T16 PolarHBondContact O-OG1 3.48Å; L12-K71 HydrophobicContact CD2-CD 4.37Å; L12-L75 HydrophobicContact CD1-CD1 3.24Å
13	F	76.8	Confident	74.6	Confident	5 Å²	5	63.7 Å²	63.7	2%	0.022	38%	0.378	C	S	.	.	H	α-helix	trans	-64.7	-43.7	174.4	-110.9	-76.5	0	0	0	113	A9 V10 S11 E15 T16 F17 I28 I49 L53 L68 I72	A9-F13 PolarHBondContact O-N 2.72Å; V10-F13 VanDerWaalsContact O-CB 3.26Å; V10-F13 WeakPolarHBondContact O-CB 3.45Å; V10-F13 PolarHBondContact O-N 3.29Å; S11-F13 PolarHBondContact O-N 3.3Å; F13-E15 VanDerWaalsContact C-N 3.3Å; F13-E15 PolarHBondContact O-N 2.9Å; F13-T16 PolarHBondContact O-N 3.07Å; F13-T16 PolarHBondContact O-OG1 3.34Å; F13-F17 HydrophobicContact CD1-CD2 4.36Å; F13-F17 PolarHBondContact O-N 3.3Å; F13-I28 HydrophobicContact CD1-CD1 4.31Å; F13-I28 HydrophobicContact CD2-CG2 4.28Å; F13-I28 HydrophobicContact CE1-CD1 3.91Å; F13-I28 HydrophobicContact CE2-CG2 3.94Å; F13-I28 HydrophobicContact CZ-CD1 4.24Å; F13-I28 HydrophobicContact CZ-CG2 4.2Å; F13-I49 HydrophobicContact CE2-CD1 4.35Å; F13-I49 HydrophobicContact CZ-CG2 3.96Å; F13-L53 HydrophobicContact CD1-CD2 4.37Å; F13-L53 HydrophobicContact CE1-CD1 3.67Å; F13-L53 HydrophobicContact CE1-CD2 3.53Å; F13-L53 HydrophobicContact CE1-CG 3.79Å; F13-L53 HydrophobicContact CZ-CD1 3.68Å; F13-L53 HydrophobicContact CZ-CD2 4.39Å; F13-L53 HydrophobicContact CZ-CG 4.18Å; F13-L68 HydrophobicContact CD2-CD2 4.1Å; F13-L68 HydrophobicContact CE2-CD2 4.16Å; F13-L68 HydrophobicContact CG-CD2 4.34Å; F13-L68 HydrophobicContact CZ-CD2 4.45Å; F13-I72 HydrophobicContact CD2-CD1 3.32Å; F13-I72 HydrophobicContact CE2-CD1 3.08Å; F13-I72 HydrophobicContact CZ-CD1 4.15Å
14	K	76.2	Confident	75.4	Confident	96 Å²	96	60.8 Å²	60.8	42%	0.417	35%	0.354	S	S	.	.	H	α-helix	trans	-66.9	-30.1	176.6	-88.5	-174.3	170.6	-177.9	0	112.7	V10 S11 F17 D22 S25	V10-K14 PolarHBondContact O-N 3.35Å; S11-K14 PolarHBondContact O-N 3.5Å; K14-F17 CarbonylContact O-C 3.26Å; K14-D22 WeakPolarHBondContact CE-OD1 3.47Å; K14-D22 IonicContact NZ-OD1 2.9Å; K14-D22 PolarHBondContact NZ-OD1 2.9Å; K14-S25 WeakPolarHBondContact CE-OG 3.27Å
15	E	78.1	Confident	75.7	Confident	160 Å²	160	59.3 Å²	59.3	75%	0.748	34%	0.337	S	S	*	.	H	α-helix	trans	-70.1	-41	174	-81.9	-169.9	156.7	0	0	112.7	S11 L12 F13	S11-E15 PolarHBondContact O-N 2.94Å; L12-E15 PolarHBondContact O-N 3.16Å; F13-E15 VanDerWaalsContact C-N 3.3Å; F13-E15 PolarHBondContact O-N 2.9Å
16	T	73.8	Confident	76	Confident	71 Å²	71	61.7 Å²	61.7	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-78.4	-33.5	179.3	27.3	0	0	0	0	113.4	L12 F13 P18 L68	L12-T16 PolarHBondContact O-N 3.02Å; L12-T16 PolarHBondContact O-OG1 3.48Å; F13-T16 PolarHBondContact O-N 3.07Å; F13-T16 PolarHBondContact O-OG1 3.34Å; T16-P18 WeakPolarHBondContact O-CD 3.27Å; T16-L68 HydrophobicContact CG2-CD1 3.85Å; T16-L68 HydrophobicContact CG2-CG 4.36Å; T16-L68 WeakPolarHBondContact OG1-CD1 3.42Å
17	F	75.7	Confident	76.5	Confident	31 Å²	31	67.6 Å²	67.6	14%	0.136	38%	0.375	C	S	.	.			trans	-123.4	80.7	178.1	-64.8	-79.4	0	0	0	111.1	F13 K14 S19 L20 L53 L68	F13-F17 HydrophobicContact CD1-CD2 4.36Å; F13-F17 PolarHBondContact O-N 3.3Å; K14-F17 CarbonylContact O-C 3.26Å; F17-S19 PolarHBondContact O-N 3.46Å; F17-S19 VanDerWaalsContact O-N 3.07Å; F17-L20 HydrophobicContact CB-CD1 3.61Å; F17-L20 HydrophobicContact CG-CD1 4.24Å; F17-L20 PolarHBondContact O-N 3.02Å; F17-L20 VanDerWaalsContact O-N 3.15Å; F17-L53 HydrophobicContact CD2-CD2 3.83Å; F17-L53 HydrophobicContact CE2-CD2 3.48Å; F17-L53 VanDerWaalsContact CE2-CD2 3.48Å; F17-L53 HydrophobicContact CZ-CD2 3.91Å; F17-L68 HydrophobicContact CD2-CD1 4.15Å; F17-L68 HydrophobicContact CE2-CD1 3.66Å
18	P	70.1	Confident	76.7	Confident	116 Å²	116	64.5 Å²	64.5	75%	0.753	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.3	179.6	0.5	3.6	0	0	0	113.9	T16	T16-P18 WeakPolarHBondContact O-CD 3.27Å
19	S	71	Confident	76.9	Confident	89 Å²	89	65.2 Å²	65.2	62%	0.622	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	3.5	178	60.8	0	0	0	0	114.1	F17 D21	F17-S19 PolarHBondContact O-N 3.46Å; F17-S19 VanDerWaalsContact O-N 3.07Å; S19-D21 PolarHBondContact O-N 2.99Å
20	L	67.5	Low	77.1	Confident	16 Å²	16	67.6 Å²	67.6	8%	0.084	37%	0.369	C	S	.	.			trans	-70.3	128.3	179	-125.2	91.5	0	0	0	110.2	F17 I24 I28 F56	F17-L20 HydrophobicContact CB-CD1 3.61Å; F17-L20 HydrophobicContact CG-CD1 4.24Å; F17-L20 PolarHBondContact O-N 3.02Å; F17-L20 VanDerWaalsContact O-N 3.15Å; L20-I24 HydrophobicContact CD2-CB 4.15Å; L20-I24 HydrophobicContact CD2-CG2 3.72Å; L20-I24 HydrophobicContact CG-CB 4.39Å; L20-I24 HydrophobicContact CG-CG2 4.1Å; L20-I28 HydrophobicContact CD2-CD1 3.84Å; L20-F56 HydrophobicContact CD1-CD1 4.36Å; L20-F56 HydrophobicContact CD1-CD2 4.01Å; L20-F56 HydrophobicContact CD1-CE2 4.28Å; L20-F56 HydrophobicContact CD1-CG 4.08Å
21	D	75	Confident	77.4	Confident	108 Å²	108	67.7 Å²	67.7	58%	0.578	37%	0.368	S	S	*	.			trans	-65.7	150.5	173.7	-138.9	-17.3	0	0	0	110.4	S19 D23 I24 S25	S19-D21 PolarHBondContact O-N 2.99Å; D21-D23 PolarHBondContact O-N 3.42Å; D21-I24 HydrophobicContact CB-CD1 4.27Å; D21-I24 HydrophobicContact CB-CG1 4.35Å; D21-I24 PolarHBondContact O-N 2.74Å; D21-I24 VanDerWaalsContact O-N 3.14Å; D21-S25 PolarHBondContact O-N 3.18Å; D21-S25 PolarHBondContact O-OG 3.18Å
22	D	77.4	Confident	77.5	Confident	106 Å²	106	64.8 Å²	64.8	57%	0.567	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-32.8	-178.1	-90.2	-26.8	0	0	0	111.5	K14 I24 S25 S26	K14-D22 WeakPolarHBondContact CE-OD1 3.47Å; K14-D22 IonicContact NZ-OD1 2.9Å; K14-D22 PolarHBondContact NZ-OD1 2.9Å; D22-I24 PolarHBondContact O-N 2.82Å; D22-S25 WeakPolarHBondContact O-CB 3.44Å; D22-S25 PolarHBondContact O-N 2.94Å; D22-S26 PolarHBondContact O-N 3.28Å
23	D	78.4	Confident	77.7	Confident	123 Å²	123	66.9 Å²	66.9	66%	0.658	36%	0.363	S	S	*	.	H	α-helix	trans	-62.7	-41	175.7	-72.8	-16.8	0	0	0	111.9	D21 S26 Y27	D21-D23 PolarHBondContact O-N 3.42Å; D23-S26 PolarHBondContact O-N 2.69Å; D23-S26 PolarHBondContact O-OG 2.96Å; D23-Y27 PolarHBondContact O-N 3.13Å
24	I	79.1	Confident	77.8	Confident	45 Å²	45	73.7 Å²	73.7	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-73.6	-35.7	-179.6	-59.7	175	0	0	0	110.3	L20 D21 D22 S26 Y27 I28 V52 F56	L20-I24 HydrophobicContact CD2-CB 4.15Å; L20-I24 HydrophobicContact CD2-CG2 3.72Å; L20-I24 HydrophobicContact CG-CB 4.39Å; L20-I24 HydrophobicContact CG-CG2 4.1Å; D21-I24 HydrophobicContact CB-CD1 4.27Å; D21-I24 HydrophobicContact CB-CG1 4.35Å; D21-I24 PolarHBondContact O-N 2.74Å; D21-I24 VanDerWaalsContact O-N 3.14Å; D22-I24 PolarHBondContact O-N 2.82Å; I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 3.11Å; I24-Y27 PolarHBondContact O-N 2.96Å; I24-I28 HydrophobicContact CG2-CD1 4.2Å; I24-I28 HydrophobicContact CG2-CG1 4.48Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.39Å; I24-V52 HydrophobicContact CG2-CG1 3.87Å; I24-F56 HydrophobicContact CD1-CE1 4.43Å; I24-F56 HydrophobicContact CD1-CE2 3.67Å; I24-F56 HydrophobicContact CD1-CZ 3.27Å; I24-F56 HydrophobicContact CG2-CE2 4.19Å
25	S	78.3	Confident	77.9	Confident	9 Å²	9	71.7 Å²	71.7	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-59.9	-43.9	172.3	-58.3	0	0	0	0	110.8	K14 D21 D22 Y27 I28 E29	K14-S25 WeakPolarHBondContact CE-OG 3.27Å; D21-S25 PolarHBondContact O-N 3.18Å; D21-S25 PolarHBondContact O-OG 3.18Å; D22-S25 WeakPolarHBondContact O-CB 3.44Å; D22-S25 PolarHBondContact O-N 2.94Å; S25-Y27 VanDerWaalsContact C-N 3.33Å; S25-Y27 PolarHBondContact O-N 2.93Å; S25-I28 PolarHBondContact O-N 2.89Å; S25-E29 WeakPolarHBondContact O-CB 3.42Å; S25-E29 PolarHBondContact O-N 3.2Å
26	S	80.9	Confident	77.6	Confident	66 Å²	66	65.6 Å²	65.6	46%	0.462	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-34.6	176.3	80.3	0	0	0	0	112.9	D22 D23 I24 E29 S30	D22-S26 PolarHBondContact O-N 3.28Å; D23-S26 PolarHBondContact O-N 2.69Å; D23-S26 PolarHBondContact O-OG 2.96Å; I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 3.11Å; S26-E29 PolarHBondContact O-N 2.99Å; S26-S30 WeakPolarHBondContact O-CB 3.3Å; S26-S30 PolarHBondContact O-N 2.75Å
27	Y	83.2	Confident	77.7	Confident	133 Å²	133	69.7 Å²	69.7	52%	0.522	38%	0.379	S	S	.	.	H	α-helix	trans	-68.3	-43.4	176.2	-176.7	-106.2	0	0	0	112.2	D23 I24 S25 E29 S30 I31 V52	D23-Y27 PolarHBondContact O-N 3.13Å; I24-Y27 PolarHBondContact O-N 2.96Å; S25-Y27 VanDerWaalsContact C-N 3.33Å; S25-Y27 PolarHBondContact O-N 2.93Å; Y27-E29 VanDerWaalsContact C-N 3.35Å; Y27-S30 WeakPolarHBondContact O-CB 3.34Å; Y27-S30 PolarHBondContact O-N 3.39Å; Y27-I31 HydrophobicContact CD1-CD1 3.83Å; Y27-I31 HydrophobicContact CE1-CD1 3.27Å; Y27-I31 HydrophobicContact CE1-CG1 4.28Å; Y27-I31 HydrophobicContact CE2-CD1 4.38Å; Y27-I31 WeakPolarHBondContact O-CG1 3.25Å; Y27-I31 PolarHBondContact O-N 3.42Å; Y27-V52 HydrophobicContact CD1-CG2 4.43Å; Y27-V52 HydrophobicContact CE1-CG2 4.03Å
28	I	80.9	Confident	77.6	Confident	3 Å²	3	74.5 Å²	74.5	2%	0.015	40%	0.402	C	S	.	.	H	α-helix	trans	-65.2	-41.4	175	-66.2	175.3	0	0	0	110.4	F13 L20 I24 S25 S30 I31 L32 I49	F13-I28 HydrophobicContact CD1-CD1 4.31Å; F13-I28 HydrophobicContact CD2-CG2 4.28Å; F13-I28 HydrophobicContact CE1-CD1 3.91Å; F13-I28 HydrophobicContact CE2-CG2 3.94Å; F13-I28 HydrophobicContact CZ-CD1 4.24Å; F13-I28 HydrophobicContact CZ-CG2 4.2Å; L20-I28 HydrophobicContact CD2-CD1 3.84Å; I24-I28 HydrophobicContact CG2-CD1 4.2Å; I24-I28 HydrophobicContact CG2-CG1 4.48Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.39Å; S25-I28 PolarHBondContact O-N 2.89Å; I28-S30 VanDerWaalsContact C-N 3.33Å; I28-S30 PolarHBondContact O-N 2.94Å; I28-I31 PolarHBondContact O-N 3.29Å; I28-L32 HydrophobicContact CG2-CD1 3.89Å; I28-L32 HydrophobicContact CG2-CG 4.43Å; I28-L32 WeakPolarHBondContact O-CB 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 3.09Å; I28-I49 HydrophobicContact CB-CG2 4.3Å; I28-I49 HydrophobicContact CD1-CG2 4Å; I28-I49 HydrophobicContact CG1-CG2 3.79Å; I28-I49 HydrophobicContact CG2-CG2 3.71Å
29	E	82.7	Confident	78	Confident	80 Å²	80	69.4 Å²	69.4	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-45.6	175.2	-166.6	166	-151.5	0	0	110.6	I6 V10 S25 S26 Y27 L32 T33	I6-E29 HydrophobicContact CG2-CG 3.95Å; V10-E29 HydrophobicContact CG2-CB 3.77Å; V10-E29 HydrophobicContact CG2-CG 3.74Å; S25-E29 WeakPolarHBondContact O-CB 3.42Å; S25-E29 PolarHBondContact O-N 3.2Å; S26-E29 PolarHBondContact O-N 2.99Å; Y27-E29 VanDerWaalsContact C-N 3.35Å; E29-L32 PolarHBondContact O-N 3.37Å; E29-T33 PolarHBondContact O-N 2.95Å; E29-T33 PolarHBondContact O-OG1 3.48Å
30	S	81.8	Confident	78.3	Confident	50 Å²	50	70.6 Å²	70.6	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-56.8	-50.9	174.6	-172.5	0	0	0	0	112.5	S26 Y27 I28 L32 T33 E34	S26-S30 WeakPolarHBondContact O-CB 3.3Å; S26-S30 PolarHBondContact O-N 2.75Å; Y27-S30 WeakPolarHBondContact O-CB 3.34Å; Y27-S30 PolarHBondContact O-N 3.39Å; I28-S30 VanDerWaalsContact C-N 3.33Å; I28-S30 PolarHBondContact O-N 2.94Å; S30-L32 VanDerWaalsContact C-N 3.31Å; S30-L32 PolarHBondContact O-N 2.87Å; S30-T33 WeakPolarHBondContact CA-OG1 3.37Å; S30-T33 PolarHBondContact O-N 3.09Å; S30-T33 PolarHBondContact O-OG1 3.33Å; S30-E34 PolarHBondContact O-N 3.47Å
31	I	81.9	Confident	78.9	Confident	18 Å²	18	72.2 Å²	72.2	9%	0.092	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-42.6	179.5	-73.5	175.6	0	0	0	111.2	Y27 I28 N35 A48 I49	Y27-I31 HydrophobicContact CD1-CD1 3.83Å; Y27-I31 HydrophobicContact CE1-CD1 3.27Å; Y27-I31 HydrophobicContact CE1-CG1 4.28Å; Y27-I31 HydrophobicContact CE2-CD1 4.38Å; Y27-I31 WeakPolarHBondContact O-CG1 3.25Å; Y27-I31 PolarHBondContact O-N 3.42Å; I28-I31 PolarHBondContact O-N 3.29Å; I31-N35 WeakPolarHBondContact O-CB 3.41Å; I31-N35 PolarHBondContact O-N 3.22Å; I31-N35 PolarHBondContact O-ND2 3.5Å; I31-N35 VanDerWaalsContact O-ND2 3.1Å; I31-A48 HydrophobicContact CG2-CB 3.96Å; I31-I49 HydrophobicContact CG2-CG1 4.49Å
32	L	81	Confident	79.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.5	-41.5	178.4	-79.2	169.9	0	0	0	111.3	I6 I28 E29 S30 A36 F39 I49 I72 M76	I6-L32 HydrophobicContact CG2-CB 4.43Å; I28-L32 HydrophobicContact CG2-CD1 3.89Å; I28-L32 HydrophobicContact CG2-CG 4.43Å; I28-L32 WeakPolarHBondContact O-CB 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 3.09Å; E29-L32 PolarHBondContact O-N 3.37Å; S30-L32 VanDerWaalsContact C-N 3.31Å; S30-L32 PolarHBondContact O-N 2.87Å; L32-A36 WeakPolarHBondContact O-CA 3.49Å; L32-A36 VanDerWaalsContact O-CB 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.48Å; L32-A36 PolarHBondContact O-N 2.99Å; L32-A36 VanDerWaalsContact O-N 3.11Å; L32-F39 HydrophobicContact CD2-CE2 4.07Å; L32-I49 HydrophobicContact CD1-CD1 4.28Å; L32-I49 HydrophobicContact CD2-CD1 3.65Å; L32-I49 HydrophobicContact CG-CD1 3.96Å; L32-I72 HydrophobicContact CD2-CG2 4.07Å; L32-M76 HydrophobicContact CD2-CE 3.95Å; L32-M76 HydrophobicContact CD2-SD 4.32Å
33	T	81.2	Confident	79.3	Confident	80 Å²	80	67 Å²	67	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-43.4	174.9	25.8	0	0	0	0	113.3	I6 E29 S30	I6-T33 HydrophobicContact CD1-CG2 3.49Å; I6-T33 VanDerWaalsContact CD1-CG2 3.49Å; I6-T33 HydrophobicContact CG2-CG2 4.44Å; E29-T33 PolarHBondContact O-N 2.95Å; E29-T33 PolarHBondContact O-OG1 3.48Å; S30-T33 WeakPolarHBondContact CA-OG1 3.37Å; S30-T33 PolarHBondContact O-N 3.09Å; S30-T33 PolarHBondContact O-OG1 3.33Å
34	E	79.2	Confident	79.4	Confident	147 Å²	147	63.9 Å²	63.9	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-73.8	-34	-175.7	-76	-173.2	156.9	0	0	112.7	S30	S30-E34 PolarHBondContact O-N 3.47Å
35	N	78	Confident	79.5	Confident	55 Å²	55	61.7 Å²	61.7	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-104.3	5.4	-175.2	-60.2	-61.3	0	0	0	114	I31 E37 H38 F39	I31-N35 WeakPolarHBondContact O-CB 3.41Å; I31-N35 PolarHBondContact O-N 3.22Å; I31-N35 PolarHBondContact O-ND2 3.5Å; I31-N35 VanDerWaalsContact O-ND2 3.1Å; N35-E37 PolarHBondContact O-N 3.29Å; N35-E37 VanDerWaalsContact O-N 3.14Å; N35-H38 PolarHBondContact O-N 2.92Å; N35-F39 HydrophobicContact CB-CE1 3.99Å; N35-F39 HydrophobicContact CB-CE2 3.83Å; N35-F39 HydrophobicContact CB-CZ 3.48Å; N35-F39 VanDerWaalsContact CB-CZ 3.48Å; N35-F39 VanDerWaalsContact O-CD2 3.3Å; N35-F39 WeakPolarHBondContact O-CD2 3.31Å; N35-F39 WeakPolarHBondContact O-CE2 3.44Å; N35-F39 PolarHBondContact O-N 3.02Å
36	A	73.3	Confident	79.7	Confident	31 Å²	31	63.4 Å²	63.4	26%	0.256	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-52.6	-38.9	-177.4	0	0	0	0	0	113.2	L32 H38 M76	L32-A36 WeakPolarHBondContact O-CA 3.49Å; L32-A36 VanDerWaalsContact O-CB 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.48Å; L32-A36 PolarHBondContact O-N 2.99Å; L32-A36 VanDerWaalsContact O-N 3.11Å; A36-H38 VanDerWaalsContact C-N 3.26Å; A36-H38 PolarHBondContact O-N 2.98Å; A36-M76 HydrophobicContact CB-CE 4.04Å; A36-M76 HydrophobicContact CB-SD 4.49Å
37	E	74.1	Confident	79.8	Confident	157 Å²	157	66.7 Å²	66.7	73%	0.734	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-74.9	-11.5	179.4	-61.9	-170.6	175.6	0	0	113.7	N35	N35-E37 PolarHBondContact O-N 3.29Å; N35-E37 VanDerWaalsContact O-N 3.14Å
38	H	75	Confident	79.6	Confident	132 Å²	132	61.9 Å²	61.9	61%	0.611	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-106.5	-3.6	-174.8	-64	-11.6	0	0	0	113.6	N35 A36 D40	N35-H38 PolarHBondContact O-N 2.92Å; A36-H38 VanDerWaalsContact C-N 3.26Å; A36-H38 PolarHBondContact O-N 2.98Å; H38-D40 PolarHBondContact O-N 3.5Å
39	F	78.2	Confident	79.5	Confident	10 Å²	10	61.8 Å²	61.8	4%	0.044	34%	0.337	C	S	.	.			trans	-85.5	101.8	175.2	-59.6	-45.7	0	0	0	110.7	L32 N35 D44 V45 A48 M76	L32-F39 HydrophobicContact CD2-CE2 4.07Å; N35-F39 HydrophobicContact CB-CE1 3.99Å; N35-F39 HydrophobicContact CB-CE2 3.83Å; N35-F39 HydrophobicContact CB-CZ 3.48Å; N35-F39 VanDerWaalsContact CB-CZ 3.48Å; N35-F39 VanDerWaalsContact O-CD2 3.3Å; N35-F39 WeakPolarHBondContact O-CD2 3.31Å; N35-F39 WeakPolarHBondContact O-CE2 3.44Å; N35-F39 PolarHBondContact O-N 3.02Å; F39-D44 HydrophobicContact CB-CB 4.41Å; F39-D44 HydrophobicContact CD1-CB 3.59Å; F39-D44 HydrophobicContact CE1-CB 4.39Å; F39-D44 VanDerWaalsContact CE1-O 3.31Å; F39-D44 WeakPolarHBondContact CE1-O 3.29Å; F39-D44 HydrophobicContact CG-CB 4.46Å; F39-V45 HydrophobicContact CB-CG2 3.96Å; F39-V45 HydrophobicContact CD1-CG2 4.12Å; F39-V45 HydrophobicContact CD2-CG2 4.03Å; F39-V45 HydrophobicContact CG-CG2 3.77Å; F39-A48 HydrophobicContact CE1-CB 3.53Å; F39-A48 HydrophobicContact CZ-CB 3.59Å; F39-M76 HydrophobicContact CD2-CE 3.54Å; F39-M76 HydrophobicContact CE2-CE 3.97Å
40	D	77.1	Confident	79.2	Confident	114 Å²	114	58 Å²	58	61%	0.61	32%	0.32	S	S	*	.			trans	-96.8	-13	176.5	-79.8	-33.3	0	0	0	113	H38 D44 Y73 R77	H38-D40 PolarHBondContact O-N 3.5Å; D40-D44 PolarHBondContact N-OD2 3.13Å; D40-Y73 PolarHBondContact O-OH 3.09Å; D40-Y73 VanDerWaalsContact O-OH 3.09Å; D40-R77 IonicContact OD1-NH2 3.1Å; D40-R77 PolarHBondContact OD1-NH2 3.28Å
41	S	80	Confident	78.9	Confident	50 Å²	50	58.7 Å²	58.7	35%	0.35	34%	0.335	S	S	.	.	S	Bend	trans	-145	161.9	-179.4	74.1	0	0	0	0	112.9	G43 D44	S41-G43 PolarHBondContact O-N 2.93Å; S41-G43 VanDerWaalsContact O-N 3.16Å; S41-G43 PolarHBondContact OG-N 2.79Å; S41-D44 PolarHBondContact N-OD2 3.03Å; S41-D44 PolarHBondContact O-N 3.29Å; S41-D44 VanDerWaalsContact O-N 3.15Å; S41-D44 VanDerWaalsContact OG-CG 3.24Å; S41-D44 PolarHBondContact OG-N 3.32Å; S41-D44 PolarHBondContact OG-OD1 3.06Å; S41-D44 PolarHBondContact OG-OD2 3.01Å
42	E	81.4	Confident	78.6	Confident	68 Å²	68	59.8 Å²	59.8	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-56.9	-26	170.3	-70.5	173.5	-168.1	0	0	112.3	H46 K70 Y73	E42-H46 PolarHBondContact O-N 2.93Å; E42-K70 VanDerWaalsContact CD-CG 3.48Å; E42-K70 VanDerWaalsContact CD-NZ 3.29Å; E42-K70 HydrophobicContact CG-CB 4.44Å; E42-K70 HydrophobicContact CG-CG 4.37Å; E42-K70 WeakPolarHBondContact OE1-CD 3.45Å; E42-K70 WeakPolarHBondContact OE1-CE 3.38Å; E42-K70 VanDerWaalsContact OE1-CG 3.25Å; E42-K70 WeakPolarHBondContact OE1-CG 3.38Å; E42-K70 IonicContact OE1-NZ 2.73Å; E42-K70 PolarHBondContact OE1-NZ 2.91Å; E42-K70 VanDerWaalsContact OE2-CD 3.29Å; E42-K70 WeakPolarHBondContact OE2-CD 3.34Å; E42-K70 WeakPolarHBondContact OE2-CE 3.43Å; E42-K70 IonicContact OE2-NZ 2.82Å; E42-K70 PolarHBondContact OE2-NZ 2.9Å; E42-Y73 HydrophobicContact CG-CD1 3.76Å; E42-Y73 HydrophobicContact CG-CE1 4.5Å; E42-Y73 HydrophobicContact CG-CG 4.09Å
43	G	79.4	Confident	78.1	Confident	36 Å²	36	59.8 Å²	59.8	37%	0.371	34%	0.342	S	S	.	.	H	α-helix	trans	-69.6	-38.5	177.8	0	0	0	0	0	112.8	S41 V45 H46 D47	S41-G43 PolarHBondContact O-N 2.93Å; S41-G43 VanDerWaalsContact O-N 3.16Å; S41-G43 PolarHBondContact OG-N 2.79Å; G43-V45 VanDerWaalsContact C-N 3.31Å; G43-V45 PolarHBondContact O-N 3.01Å; G43-H46 CarbonylContact O-C 3.52Å; G43-H46 WeakPolarHBondContact O-CB 3.42Å; G43-H46 PolarHBondContact O-N 3.46Å; G43-H46 VanDerWaalsContact O-N 3.09Å; G43-D47 PolarHBondContact O-N 2.97Å
44	D	81.4	Confident	77.6	Confident	57 Å²	57	60.3 Å²	60.3	31%	0.305	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-35.2	-177.2	-51	-46.3	0	0	0	111.3	F39 D40 S41 D47 A48	F39-D44 HydrophobicContact CB-CB 4.41Å; F39-D44 HydrophobicContact CD1-CB 3.59Å; F39-D44 HydrophobicContact CE1-CB 4.39Å; F39-D44 VanDerWaalsContact CE1-O 3.31Å; F39-D44 WeakPolarHBondContact CE1-O 3.29Å; F39-D44 HydrophobicContact CG-CB 4.46Å; D40-D44 PolarHBondContact N-OD2 3.13Å; S41-D44 PolarHBondContact N-OD2 3.03Å; S41-D44 PolarHBondContact O-N 3.29Å; S41-D44 VanDerWaalsContact O-N 3.15Å; S41-D44 VanDerWaalsContact OG-CG 3.24Å; S41-D44 PolarHBondContact OG-N 3.32Å; S41-D44 PolarHBondContact OG-OD1 3.06Å; S41-D44 PolarHBondContact OG-OD2 3.01Å; D44-D47 PolarHBondContact O-N 2.89Å; D44-A48 WeakPolarHBondContact O-CB 3.23Å; D44-A48 PolarHBondContact O-N 2.68Å
45	V	80.3	Confident	77.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-39	172.8	-176.6	0	0	0	0	110.8	F39 G43 I49 C69 I72 Y73	F39-V45 HydrophobicContact CB-CG2 3.96Å; F39-V45 HydrophobicContact CD1-CG2 4.12Å; F39-V45 HydrophobicContact CD2-CG2 4.03Å; F39-V45 HydrophobicContact CG-CG2 3.77Å; G43-V45 VanDerWaalsContact C-N 3.31Å; G43-V45 PolarHBondContact O-N 3.01Å; V45-I49 HydrophobicContact CG1-CD1 3.62Å; V45-I49 HydrophobicContact CG1-CG1 4.48Å; V45-I49 VanDerWaalsContact O-CG1 3.31Å; V45-I49 WeakPolarHBondContact O-CG1 3.47Å; V45-I49 PolarHBondContact O-N 2.93Å; V45-C69 HydrophobicContact CG1-CB 4.3Å; V45-I72 HydrophobicContact CG1-CG2 4.26Å; V45-Y73 HydrophobicContact CG2-CD2 3.93Å
46	H	82.9	Confident	76.6	Confident	45 Å²	45	56.9 Å²	56.9	21%	0.208	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-38.8	176	-175.2	-80.3	0	0	0	111.7	E42 G43 G50	E42-H46 PolarHBondContact O-N 2.93Å; G43-H46 CarbonylContact O-C 3.52Å; G43-H46 WeakPolarHBondContact O-CB 3.42Å; G43-H46 PolarHBondContact O-N 3.46Å; G43-H46 VanDerWaalsContact O-N 3.09Å; H46-G50 WeakPolarHBondContact O-CA 3.46Å; H46-G50 PolarHBondContact O-N 2.74Å
47	D	82.1	Confident	76	Confident	135 Å²	135	58.7 Å²	58.7	72%	0.722	35%	0.345	S	S	*	.	H	α-helix	trans	-69.5	-35	178.2	-82.5	-0.1	0	0	0	112.3	G43 D44	G43-D47 PolarHBondContact O-N 2.97Å; D44-D47 PolarHBondContact O-N 2.89Å
48	A	79.4	Confident	75.1	Confident	32 Å²	32	62.6 Å²	62.6	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-73.6	-35.1	179.6	0	0	0	0	0	114	I31 F39 D44	I31-A48 HydrophobicContact CG2-CB 3.96Å; F39-A48 HydrophobicContact CE1-CB 3.53Å; F39-A48 HydrophobicContact CZ-CB 3.59Å; D44-A48 WeakPolarHBondContact O-CB 3.23Å; D44-A48 PolarHBondContact O-N 2.68Å
49	I	79.1	Confident	74	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-119.3	-23.6	-170.1	-28.3	163.7	0	0	0	112.7	F13 I28 I31 L32 V45 G51 V52 L53	F13-I49 HydrophobicContact CE2-CD1 4.35Å; F13-I49 HydrophobicContact CZ-CG2 3.96Å; I28-I49 HydrophobicContact CB-CG2 4.3Å; I28-I49 HydrophobicContact CD1-CG2 4Å; I28-I49 HydrophobicContact CG1-CG2 3.79Å; I28-I49 HydrophobicContact CG2-CG2 3.71Å; I31-I49 HydrophobicContact CG2-CG1 4.49Å; L32-I49 HydrophobicContact CD1-CD1 4.28Å; L32-I49 HydrophobicContact CD2-CD1 3.65Å; L32-I49 HydrophobicContact CG-CD1 3.96Å; V45-I49 HydrophobicContact CG1-CD1 3.62Å; V45-I49 HydrophobicContact CG1-CG1 4.48Å; V45-I49 VanDerWaalsContact O-CG1 3.31Å; V45-I49 WeakPolarHBondContact O-CG1 3.47Å; V45-I49 PolarHBondContact O-N 2.93Å; I49-G51 VanDerWaalsContact C-N 3.29Å; I49-G51 PolarHBondContact O-N 2.76Å; I49-V52 WeakPolarHBondContact O-CB 3.25Å; I49-V52 PolarHBondContact O-N 2.98Å; I49-L53 PolarHBondContact O-N 2.94Å; I49-L53 VanDerWaalsContact O-N 3.16Å
50	G	75.8	Confident	72.4	Confident	2 Å²	2	71.5 Å²	71.5	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-58.4	-38.2	-174.9	0	0	0	0	0	112.8	H46 V52 L53 D54	H46-G50 WeakPolarHBondContact O-CA 3.46Å; H46-G50 PolarHBondContact O-N 2.74Å; G50-V52 VanDerWaalsContact C-N 3.29Å; G50-V52 PolarHBondContact O-N 3.43Å; G50-L53 WeakPolarHBondContact O-CB 3.33Å; G50-L53 PolarHBondContact O-N 3.1Å; G50-L53 VanDerWaalsContact O-N 3.12Å; G50-D54 PolarHBondContact O-N 3.45Å
51	G	76.7	Confident	71.7	Confident	64 Å²	64	67.4 Å²	67.4	66%	0.66	38%	0.38	S	S	*	.	H	α-helix	trans	-63	-31.9	176	0	0	0	0	0	114.1	I49	I49-G51 VanDerWaalsContact C-N 3.29Å; I49-G51 PolarHBondContact O-N 2.76Å
52	V	75.5	Confident	71.3	Confident	40 Å²	40	68.8 Å²	68.8	24%	0.242	38%	0.383	C	S	.	.	H	α-helix	trans	-74.3	-36.6	175.1	-175.3	0	0	0	0	110.2	I24 Y27 I49 G50 G55	I24-V52 HydrophobicContact CG2-CG1 3.87Å; Y27-V52 HydrophobicContact CD1-CG2 4.43Å; Y27-V52 HydrophobicContact CE1-CG2 4.03Å; I49-V52 WeakPolarHBondContact O-CB 3.25Å; I49-V52 PolarHBondContact O-N 2.98Å; G50-V52 VanDerWaalsContact C-N 3.29Å; G50-V52 PolarHBondContact O-N 3.43Å; V52-G55 PolarHBondContact O-N 3.49Å
53	L	69.6	Low	71.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-70.3	-33.1	178.8	-85.4	172.9	0	0	0	113.8	F13 F17 I49 G50 G55 F56 I65	F13-L53 HydrophobicContact CD1-CD2 4.37Å; F13-L53 HydrophobicContact CE1-CD1 3.67Å; F13-L53 HydrophobicContact CE1-CD2 3.53Å; F13-L53 HydrophobicContact CE1-CG 3.79Å; F13-L53 HydrophobicContact CZ-CD1 3.68Å; F13-L53 HydrophobicContact CZ-CD2 4.39Å; F13-L53 HydrophobicContact CZ-CG 4.18Å; F17-L53 HydrophobicContact CD2-CD2 3.83Å; F17-L53 HydrophobicContact CE2-CD2 3.48Å; F17-L53 VanDerWaalsContact CE2-CD2 3.48Å; F17-L53 HydrophobicContact CZ-CD2 3.91Å; I49-L53 PolarHBondContact O-N 2.94Å; I49-L53 VanDerWaalsContact O-N 3.16Å; G50-L53 WeakPolarHBondContact O-CB 3.33Å; G50-L53 PolarHBondContact O-N 3.1Å; G50-L53 VanDerWaalsContact O-N 3.12Å; L53-G55 PolarHBondContact O-N 3.41Å; L53-G55 VanDerWaalsContact O-N 3.17Å; L53-F56 PolarHBondContact O-N 3.37Å; L53-I65 HydrophobicContact CB-CD1 3.88Å; L53-I65 HydrophobicContact CB-CG1 4.47Å; L53-I65 HydrophobicContact CD1-CG1 4.38Å; L53-I65 HydrophobicContact CD1-CG2 3.87Å
54	D	70.6	Confident	70.9	Confident	92 Å²	92	77.3 Å²	77.3	49%	0.492	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-60.1	-24	174.2	-93.3	-5.3	0	0	0	112.3	G50 F56 H57	G50-D54 PolarHBondContact O-N 3.45Å; D54-F56 VanDerWaalsContact C-N 3.31Å; D54-F56 PolarHBondContact O-N 3.01Å; D54-H57 WeakPolarHBondContact O-CB 3.29Å; D54-H57 PolarHBondContact O-N 2.96Å
55	G	69.2	Low	70.7	Confident	68 Å²	68	74.6 Å²	74.6	70%	0.701	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-69	-25.4	173.4	0	0	0	0	0	114.5	V52 L53	V52-G55 PolarHBondContact O-N 3.49Å; L53-G55 PolarHBondContact O-N 3.41Å; L53-G55 VanDerWaalsContact O-N 3.17Å
56	F	66.8	Low	70.7	Confident	62 Å²	62	79.8 Å²	79.8	27%	0.272	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-95.8	1.6	-178.5	-72	-80.3	0	0	0	113.4	L20 I24 L53 D54 R58	L20-F56 HydrophobicContact CD1-CD1 4.36Å; L20-F56 HydrophobicContact CD1-CD2 4.01Å; L20-F56 HydrophobicContact CD1-CE2 4.28Å; L20-F56 HydrophobicContact CD1-CG 4.08Å; I24-F56 HydrophobicContact CD1-CE1 4.43Å; I24-F56 HydrophobicContact CD1-CE2 3.67Å; I24-F56 HydrophobicContact CD1-CZ 3.27Å; I24-F56 HydrophobicContact CG2-CE2 4.19Å; L53-F56 PolarHBondContact O-N 3.37Å; D54-F56 VanDerWaalsContact C-N 3.31Å; D54-F56 PolarHBondContact O-N 3.01Å; F56-R58 PolarHBondContact O-N 3Å
57	H	61.1	Low	70.7	Confident	69 Å²	69	81.5 Å²	81.5	32%	0.319	44%	0.435	S	S	.	.			trans	-64.7	102.9	-174.5	-124.4	61.5	0	0	0	111.7	D54 I65	D54-H57 WeakPolarHBondContact O-CB 3.29Å; D54-H57 PolarHBondContact O-N 2.96Å; H57-I65 WeakPolarHBondContact CE1-CD1 3.27Å; H57-I65 WeakPolarHBondContact ND1-CD1 3.14Å
58	R	56.3	Low	70.7	Confident	239 Å²	239	75.5 Å²	75.5	90%	0.902	40%	0.403	S	S	*	.			trans	-109.9	96.9	159.2	-81	-174.3	-178.4	175.7	3	109.4	F56	F56-R58 PolarHBondContact O-N 3Å
59	Q	50.6	Low	70.8	Confident	180 Å²	180	74 Å²	74	84%	0.841	39%	0.391	S	S	*	.	S	Bend	trans	88.8	-18.3	145.5	-74.4	-171.1	-20.5	0	0	122.7
60	N	45.1	Very low	71	Confident	149 Å²	149	78 Å²	78	80%	0.797	41%	0.408	S	S	*	.	S	Bend	trans	-177.5	104.3	169.7	-90.5	-34.7	0	0	0	109.1
61	S	63	Low	71.2	Confident	27 Å²	27	83.6 Å²	83.6	19%	0.189	43%	0.432	C	S	.	.			trans	162.7	69.1	145.3	54.3	0	0	0	0	115	Q63 E64 I65	S61-Q63 PolarHBondContact O-N 3.1Å; S61-E64 WeakPolarHBondContact CB-OE2 3.49Å; S61-E64 PolarHBondContact O-N 3.25Å; S61-E64 VanDerWaalsContact OG-CB 3.26Å; S61-E64 WeakPolarHBondContact OG-CB 3.29Å; S61-E64 WeakPolarHBondContact OG-CG 3.42Å; S61-E64 PolarHBondContact OG-OE2 2.64Å; S61-I65 PolarHBondContact O-N 2.82Å; S61-I65 VanDerWaalsContact O-N 3.16Å
62	D	72	Confident	71.3	Confident	79 Å²	79	80.5 Å²	80.5	42%	0.422	40%	0.4	S	S	.	.	H	α-helix	trans	-54.9	-27	162.2	-157.5	53.3	0	0	0	111.4	K66	D62-K66 PolarHBondContact O-N 2.69Å; D62-K66 IonicContact OD2-NZ 3.06Å; D62-K66 PolarHBondContact OD2-NZ 3.2Å
63	Q	75.9	Confident	71.6	Confident	165 Å²	165	80.6 Å²	80.6	77%	0.771	40%	0.397	S	S	*	.	H	α-helix	trans	-71.1	-33.8	170.6	-76.4	-174.5	-17	0	0	114.5	S61 T67	S61-Q63 PolarHBondContact O-N 3.1Å; Q63-T67 PolarHBondContact O-N 3.34Å; Q63-T67 PolarHBondContact O-OG1 2.76Å
64	E	75.7	Confident	72.1	Confident	119 Å²	119	86 Å²	86	56%	0.556	42%	0.422	S	S	*	.	H	α-helix	trans	-72.2	-41	177.2	-70.5	169.7	174	0	0	110	S61 K66 T67 L68	S61-E64 WeakPolarHBondContact CB-OE2 3.49Å; S61-E64 PolarHBondContact O-N 3.25Å; S61-E64 VanDerWaalsContact OG-CB 3.26Å; S61-E64 WeakPolarHBondContact OG-CB 3.29Å; S61-E64 WeakPolarHBondContact OG-CG 3.42Å; S61-E64 PolarHBondContact OG-OE2 2.64Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 2.93Å; E64-T67 VanDerWaalsContact CA-OG1 3.29Å; E64-T67 WeakPolarHBondContact CA-OG1 3.22Å; E64-T67 PolarHBondContact O-N 3.41Å; E64-T67 VanDerWaalsContact O-N 3.17Å; E64-T67 PolarHBondContact O-OG1 3.13Å; E64-L68 VanDerWaalsContact O-CB 3.25Å; E64-L68 WeakPolarHBondContact O-CB 3.35Å; E64-L68 PolarHBondContact O-N 2.98Å
65	I	77.5	Confident	72.4	Confident	0 Å²	0	84 Å²	84	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-56.9	-49.9	173.2	-67.4	179.8	0	0	0	109.9	L53 H57 S61 T67 L68 C69	L53-I65 HydrophobicContact CB-CD1 3.88Å; L53-I65 HydrophobicContact CB-CG1 4.47Å; L53-I65 HydrophobicContact CD1-CG1 4.38Å; L53-I65 HydrophobicContact CD1-CG2 3.87Å; H57-I65 WeakPolarHBondContact CE1-CD1 3.27Å; H57-I65 WeakPolarHBondContact ND1-CD1 3.14Å; S61-I65 PolarHBondContact O-N 2.82Å; S61-I65 VanDerWaalsContact O-N 3.16Å; I65-T67 VanDerWaalsContact C-N 3.34Å; I65-T67 PolarHBondContact O-N 3.15Å; I65-L68 PolarHBondContact O-N 2.75Å; I65-L68 VanDerWaalsContact O-N 3.16Å; I65-C69 WeakPolarHBondContact O-CB 3.42Å; I65-C69 PolarHBondContact O-N 3Å; I65-C69 PolarHBondContact O-SG 3.48Å; I65-C69 VanDerWaalsContact O-SG 3.33Å
66	K	80.9	Confident	72.4	Confident	109 Å²	109	82.6 Å²	82.6	47%	0.474	39%	0.387	S	S	.	.	H	α-helix	trans	-60.4	-39.4	177	-80	171.5	180	143.2	0	113.1	D62 E64 K70	D62-K66 PolarHBondContact O-N 2.69Å; D62-K66 IonicContact OD2-NZ 3.06Å; D62-K66 PolarHBondContact OD2-NZ 3.2Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 2.93Å; K66-K70 WeakPolarHBondContact O-CB 3.22Å; K66-K70 PolarHBondContact O-N 3.49Å
67	T	82.3	Confident	72.7	Confident	80 Å²	80	83.9 Å²	83.9	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-71.1	-31.7	176.5	24.8	0	0	0	0	112.8	Q63 E64 I65 K71	Q63-T67 PolarHBondContact O-N 3.34Å; Q63-T67 PolarHBondContact O-OG1 2.76Å; E64-T67 VanDerWaalsContact CA-OG1 3.29Å; E64-T67 WeakPolarHBondContact CA-OG1 3.22Å; E64-T67 PolarHBondContact O-N 3.41Å; E64-T67 VanDerWaalsContact O-N 3.17Å; E64-T67 PolarHBondContact O-OG1 3.13Å; I65-T67 VanDerWaalsContact C-N 3.34Å; I65-T67 PolarHBondContact O-N 3.15Å; T67-K71 PolarHBondContact O-N 3.26Å
68	L	80.9	Confident	72.6	Confident	9 Å²	9	84.4 Å²	84.4	5%	0.047	40%	0.399	C	S	.	.	H	α-helix	trans	-70.2	-49.2	175.6	-151.1	175.6	0	0	0	110.1	F13 T16 F17 E64 I65 K70 K71 I72	F13-L68 HydrophobicContact CD2-CD2 4.1Å; F13-L68 HydrophobicContact CE2-CD2 4.16Å; F13-L68 HydrophobicContact CG-CD2 4.34Å; F13-L68 HydrophobicContact CZ-CD2 4.45Å; T16-L68 HydrophobicContact CG2-CD1 3.85Å; T16-L68 HydrophobicContact CG2-CG 4.36Å; T16-L68 WeakPolarHBondContact OG1-CD1 3.42Å; F17-L68 HydrophobicContact CD2-CD1 4.15Å; F17-L68 HydrophobicContact CE2-CD1 3.66Å; E64-L68 VanDerWaalsContact O-CB 3.25Å; E64-L68 WeakPolarHBondContact O-CB 3.35Å; E64-L68 PolarHBondContact O-N 2.98Å; I65-L68 PolarHBondContact O-N 2.75Å; I65-L68 VanDerWaalsContact O-N 3.16Å; L68-K70 PolarHBondContact O-N 3.31Å; L68-K71 PolarHBondContact O-N 3.34Å; L68-K71 VanDerWaalsContact O-N 3.1Å; L68-I72 HydrophobicContact CD2-CD1 3.4Å; L68-I72 VanDerWaalsContact CD2-CD1 3.4Å; L68-I72 HydrophobicContact CD2-CG1 3.97Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.02Å
69	C	81.3	Confident	72	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.014	39%	0.393	C	S	.	.	H	α-helix	trans	-55.7	-40.6	172.6	-68.3	0	0	0	0	111.6	V45 I65 I72 Y73	V45-C69 HydrophobicContact CG1-CB 4.3Å; I65-C69 WeakPolarHBondContact O-CB 3.42Å; I65-C69 PolarHBondContact O-N 3Å; I65-C69 PolarHBondContact O-SG 3.48Å; I65-C69 VanDerWaalsContact O-SG 3.33Å; C69-I72 PolarHBondContact O-N 3.48Å; C69-Y73 WeakPolarHBondContact O-CB 3.2Å; C69-Y73 PolarHBondContact O-N 3.43Å
70	K	83.6	Confident	71.5	Confident	82 Å²	82	75.5 Å²	75.5	36%	0.357	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-44.1	175	-179.3	161.2	-161.3	125.5	0	113.2	E42 K66 L68 I72 Y73 Q74	E42-K70 VanDerWaalsContact CD-CG 3.48Å; E42-K70 VanDerWaalsContact CD-NZ 3.29Å; E42-K70 HydrophobicContact CG-CB 4.44Å; E42-K70 HydrophobicContact CG-CG 4.37Å; E42-K70 WeakPolarHBondContact OE1-CD 3.45Å; E42-K70 WeakPolarHBondContact OE1-CE 3.38Å; E42-K70 VanDerWaalsContact OE1-CG 3.25Å; E42-K70 WeakPolarHBondContact OE1-CG 3.38Å; E42-K70 IonicContact OE1-NZ 2.73Å; E42-K70 PolarHBondContact OE1-NZ 2.91Å; E42-K70 VanDerWaalsContact OE2-CD 3.29Å; E42-K70 WeakPolarHBondContact OE2-CD 3.34Å; E42-K70 WeakPolarHBondContact OE2-CE 3.43Å; E42-K70 IonicContact OE2-NZ 2.82Å; E42-K70 PolarHBondContact OE2-NZ 2.9Å; K66-K70 WeakPolarHBondContact O-CB 3.22Å; K66-K70 PolarHBondContact O-N 3.49Å; L68-K70 PolarHBondContact O-N 3.31Å; K70-I72 VanDerWaalsContact C-N 3.32Å; K70-I72 PolarHBondContact O-N 2.95Å; K70-Y73 PolarHBondContact O-N 3.32Å; K70-Q74 WeakPolarHBondContact O-CG 3.26Å; K70-Q74 PolarHBondContact O-N 2.88Å
71	K	80.7	Confident	70.9	Confident	120 Å²	120	71.2 Å²	71.2	52%	0.522	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-39.5	173.9	-82.7	-178.3	177.1	178.2	0	111.8	L12 T67 L68 Q74 L75	L12-K71 HydrophobicContact CD2-CD 4.37Å; T67-K71 PolarHBondContact O-N 3.26Å; L68-K71 PolarHBondContact O-N 3.34Å; L68-K71 VanDerWaalsContact O-N 3.1Å; K71-Q74 PolarHBondContact O-N 2.96Å; K71-L75 WeakPolarHBondContact O-CB 3.37Å; K71-L75 PolarHBondContact O-N 2.82Å
72	I	78.3	Confident	69.4	Low	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-66.9	-45.4	177.9	-69.1	174.8	0	0	0	110.8	A9 F13 L32 V45 L68 C69 K70 Q74 L75 M76	A9-I72 HydrophobicContact CB-CG1 4.08Å; A9-I72 HydrophobicContact CB-CG2 4.02Å; F13-I72 HydrophobicContact CD2-CD1 3.32Å; F13-I72 HydrophobicContact CE2-CD1 3.08Å; F13-I72 HydrophobicContact CZ-CD1 4.15Å; L32-I72 HydrophobicContact CD2-CG2 4.07Å; V45-I72 HydrophobicContact CG1-CG2 4.26Å; L68-I72 HydrophobicContact CD2-CD1 3.4Å; L68-I72 VanDerWaalsContact CD2-CD1 3.4Å; L68-I72 HydrophobicContact CD2-CG1 3.97Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.02Å; C69-I72 PolarHBondContact O-N 3.48Å; K70-I72 VanDerWaalsContact C-N 3.32Å; K70-I72 PolarHBondContact O-N 2.95Å; I72-Q74 VanDerWaalsContact C-N 3.29Å; I72-Q74 PolarHBondContact O-N 3.41Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L75 VanDerWaalsContact O-N 3.1Å; I72-M76 HydrophobicContact CG2-CG 4.22Å; I72-M76 VanDerWaalsContact O-CG 3.28Å; I72-M76 WeakPolarHBondContact O-CG 3.43Å; I72-M76 PolarHBondContact O-N 3.31Å
73	Y	82	Confident	67.5	Low	42 Å²	42	80.3 Å²	80.3	17%	0.165	42%	0.417	C	S	.	.	H	α-helix	trans	-58.4	-43	175.4	-175.6	-105.7	0	0	0	111.6	D40 E42 V45 C69 K70 L75 M76 R77	D40-Y73 PolarHBondContact O-OH 3.09Å; D40-Y73 VanDerWaalsContact O-OH 3.09Å; E42-Y73 HydrophobicContact CG-CD1 3.76Å; E42-Y73 HydrophobicContact CG-CE1 4.5Å; E42-Y73 HydrophobicContact CG-CG 4.09Å; V45-Y73 HydrophobicContact CG2-CD2 3.93Å; C69-Y73 WeakPolarHBondContact O-CB 3.2Å; C69-Y73 PolarHBondContact O-N 3.43Å; K70-Y73 PolarHBondContact O-N 3.32Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.44Å; Y73-M76 PolarHBondContact O-N 2.92Å; Y73-R77 PolarHBondContact O-N 3.47Å
74	Q	80.6	Confident	65.3	Low	113 Å²	113	79.8 Å²	79.8	53%	0.528	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-31.9	175.4	-72.9	178.2	-2.2	0	0	113.7	K70 K71 I72 R77	K70-Q74 WeakPolarHBondContact O-CG 3.26Å; K70-Q74 PolarHBondContact O-N 2.88Å; K71-Q74 PolarHBondContact O-N 2.96Å; I72-Q74 VanDerWaalsContact C-N 3.29Å; I72-Q74 PolarHBondContact O-N 3.41Å; Q74-R77 CarbonylContact O-C 3.54Å; Q74-R77 VanDerWaalsContact O-C 3.26Å
75	L	75.8	Confident	63.1	Low	51 Å²	51	82.6 Å²	82.6	27%	0.267	43%	0.425	S	S	.	.	H	α-helix	trans	-73.9	-35.7	174.7	-93.1	157.4	0	0	0	112.5	A5 V8 L12 K71 I72 Y73 P78	A5-L75 WeakPolarHBondContact CB-O 3.46Å; V8-L75 HydrophobicContact CB-CD2 4.31Å; V8-L75 HydrophobicContact CG1-CD1 3.99Å; V8-L75 HydrophobicContact CG1-CD2 3.72Å; L12-L75 HydrophobicContact CD1-CD1 3.24Å; K71-L75 WeakPolarHBondContact O-CB 3.37Å; K71-L75 PolarHBondContact O-N 2.82Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L75 VanDerWaalsContact O-N 3.1Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.44Å; L75-P78 WeakPolarHBondContact O-CD 3.42Å
76	M	70.6	Confident	60.8	Low	38 Å²	38	89.2 Å²	89.2	19%	0.187	46%	0.456	C	S	.	.	H	α-helix	trans	-76.1	-33.8	178.8	-66.8	-122.3	-65.2	0	0	112.3	I6 L32 A36 F39 I72 Y73 P78	I6-M76 HydrophobicContact CG1-SD 3.97Å; L32-M76 HydrophobicContact CD2-CE 3.95Å; L32-M76 HydrophobicContact CD2-SD 4.32Å; A36-M76 HydrophobicContact CB-CE 4.04Å; A36-M76 HydrophobicContact CB-SD 4.49Å; F39-M76 HydrophobicContact CD2-CE 3.54Å; F39-M76 HydrophobicContact CE2-CE 3.97Å; I72-M76 HydrophobicContact CG2-CG 4.22Å; I72-M76 VanDerWaalsContact O-CG 3.28Å; I72-M76 WeakPolarHBondContact O-CG 3.43Å; I72-M76 PolarHBondContact O-N 3.31Å; Y73-M76 PolarHBondContact O-N 2.92Å; M76-P78 VanDerWaalsContact O-CD 3.23Å; M76-P78 WeakPolarHBondContact O-CD 3.45Å
77	R	72.8	Confident	58.5	Low	89 Å²	89	90.9 Å²	90.9	34%	0.336	47%	0.468	S	S	.	.	S	Bend	trans	-112.5	76.2	166.6	-73.3	-158.3	-173.3	178.8	12.6	110.8	D40 Y73 Q74 S79	D40-R77 IonicContact OD1-NH2 3.1Å; D40-R77 PolarHBondContact OD1-NH2 3.28Å; Y73-R77 PolarHBondContact O-N 3.47Å; Q74-R77 CarbonylContact O-C 3.54Å; Q74-R77 VanDerWaalsContact O-C 3.26Å; R77-S79 PolarHBondContact O-N 2.98Å
78	P	57.9	Low	56.2	Low	79 Å²	79	91.4 Å²	91.4	51%	0.513	47%	0.472	S	S	.	.			trans	-68.7	99.5	172.5	28.5	-28.2	0	0	0	107.9	L75 M76	L75-P78 WeakPolarHBondContact O-CD 3.42Å; M76-P78 VanDerWaalsContact O-CD 3.23Å; M76-P78 WeakPolarHBondContact O-CD 3.45Å
79	S	44.9	Very low	53.7	Low	112 Å²	112	96.5 Å²	96.5	78%	0.783	50%	0.499	S	S	*	.			trans	54.2	62	168.5	51.7	0	0	0	0	115.1	R77 G81	R77-S79 PolarHBondContact O-N 2.98Å; S79-G81 PolarHBondContact O-N 2.89Å; S79-G81 VanDerWaalsContact O-N 3.13Å
80	D	40	Very low	52	Low	120 Å²	120	104.1 Å²	104.1	64%	0.642	54%	0.539	S	S	*	.			trans	-75.4	86.5	138.3	-87.2	-24.8	0	0	0	106.7	F82	D80-F82 VanDerWaalsContact C-N 3.34Å; D80-F82 PolarHBondContact O-N 3.1Å
81	G	31.6	Very low	50.3	Low	59 Å²	59	103.1 Å²	103.1	61%	0.608	55%	0.546	S	S	*	.			trans	-52.4	112.4	150.6	0	0	0	0	0	105.9	S79 V83	S79-G81 PolarHBondContact O-N 2.89Å; S79-G81 VanDerWaalsContact O-N 3.13Å; G81-V83 PolarHBondContact O-N 3.43Å
82	F	32.9	Very low	48.4	Very low	181 Å²	181	103.2 Å²	103.2	79%	0.794	56%	0.559	S	S	*	*			trans	-62.5	74.2	157.8	-91.1	-91.9	0	0	0	107.1	D80 E84	D80-F82 VanDerWaalsContact C-N 3.34Å; D80-F82 PolarHBondContact O-N 3.1Å; F82-E84 PolarHBondContact O-N 3.46Å
83	V	32.5	Very low	46.8	Very low	116 Å²	116	106.6 Å²	106.6	70%	0.703	58%	0.579	S	S	*	*			trans	-65.3	99.1	140.5	-179.4	0	0	0	0	102.1	G81 K85	G81-V83 PolarHBondContact O-N 3.43Å; V83-K85 PolarHBondContact O-N 3.45Å
84	E	28	Very low	44.9	Very low	154 Å²	154	111.4 Å²	111.4	72%	0.72	60%	0.603	S	S	*	*			trans	-48.7	100.2	147.1	-85	-176.3	157.5	0	0	104.5	F82 Q86	F82-E84 PolarHBondContact O-N 3.46Å; E84-Q86 PolarHBondContact O-N 3.26Å
85	K	30.7	Very low	43.2	Very low	178 Å²	178	112.7 Å²	112.7	77%	0.774	61%	0.611	S	S	*	*			trans	-61	85.4	147.7	-87.1	-179.5	176.6	172.6	0	103.2	V83 I87	V83-K85 PolarHBondContact O-N 3.45Å; K85-I87 HydrophobicContact CB-CG1 4.32Å; K85-I87 PolarHBondContact O-N 3.08Å
86	Q	28.3	Very low	42	Very low	140 Å²	140	113.1 Å²	113.1	65%	0.654	62%	0.622	S	S	*	*			trans	-49.9	91.9	140.2	-77	-172.9	-24.7	0	0	104	E84 T88	E84-Q86 PolarHBondContact O-N 3.26Å; Q86-T88 HydrophobicContact CB-CG2 4.13Å; Q86-T88 PolarHBondContact O-N 3.3Å
87	I	32.7	Very low	41.3	Very low	143 Å²	143	114.4 Å²	114.4	73%	0.733	64%	0.635	S	S	*	*			trans	-68.1	80.8	153.4	-58.6	175	0	0	0	102.2	K85 L89	K85-I87 HydrophobicContact CB-CG1 4.32Å; K85-I87 PolarHBondContact O-N 3.08Å; I87-L89 VanDerWaalsContact C-N 3.29Å; I87-L89 PolarHBondContact O-N 3.48Å
88	T	33.7	Very low	40.1	Very low	91 Å²	91	114 Å²	114	56%	0.558	64%	0.639	S	S	*	*			trans	-58.4	106.5	159	46.8	0	0	0	0	104.2	Q86 D90	Q86-T88 HydrophobicContact CB-CG2 4.13Å; Q86-T88 PolarHBondContact O-N 3.3Å; T88-D90 VanDerWaalsContact C-N 3.34Å; T88-D90 PolarHBondContact O-N 2.86Å
89	L	29.6	Very low	39.6	Very low	117 Å²	117	115.9 Å²	115.9	61%	0.613	64%	0.644	S	S	*	*			trans	-56.2	106.1	160.2	-92.4	155.9	0	0	0	106.2	I87 A91 V93	I87-L89 VanDerWaalsContact C-N 3.29Å; I87-L89 PolarHBondContact O-N 3.48Å; L89-A91 PolarHBondContact O-N 3.24Å; L89-V93 HydrophobicContact CD1-CG2 3.64Å; L89-V93 HydrophobicContact CD2-CG2 3.37Å; L89-V93 HydrophobicContact CG-CG2 4.09Å
90	D	45.7	Very low	39.8	Very low	162 Å²	162	115.6 Å²	115.6	87%	0.866	63%	0.634	S	S	*	*	S	Bend	trans	-58.3	-8.6	177.9	-78.8	-25.2	0	0	0	112.8	T88	T88-D90 VanDerWaalsContact C-N 3.34Å; T88-D90 PolarHBondContact O-N 2.86Å
91	A	46.8	Very low	40.3	Very low	61 Å²	61	113.2 Å²	113.2	50%	0.504	62%	0.623	S	S	.	*	S	Bend	trans	-144.5	141.4	166.3	0	0	0	0	0	110.4	L89 V93	L89-A91 PolarHBondContact O-N 3.24Å; A91-V93 PolarHBondContact O-N 3.45Å
92	P	41.6	Very low	40.9	Very low	121 Å²	121	117.8 Å²	117.8	79%	0.786	63%	0.627	S	S	*	*			trans	-55.9	119.3	172.2	24.1	-32.3	0	0	0	109	Q94	P92-Q94 PolarHBondContact O-N 3.26Å
93	V	43.5	Very low	41.6	Very low	71 Å²	71	112.1 Å²	112.1	43%	0.43	61%	0.61	S	S	.	*			trans	-63	105.8	171.3	179.2	0	0	0	0	106.6	L89 A91 M95 L98	L89-V93 HydrophobicContact CD1-CG2 3.64Å; L89-V93 HydrophobicContact CD2-CG2 3.37Å; L89-V93 HydrophobicContact CG-CG2 4.09Å; A91-V93 PolarHBondContact O-N 3.45Å; V93-M95 PolarHBondContact O-N 3.06Å; V93-L98 HydrophobicContact CG1-CD1 3.84Å; V93-L98 HydrophobicContact CG1-CG 4.44Å
94	Q	42.2	Very low	42.2	Very low	144 Å²	144	114 Å²	114	67%	0.673	61%	0.611	S	S	*	*			trans	-63.6	103.7	167.5	-75.7	-176.6	-10.1	0	0	106.8	P92 A96 S97	P92-Q94 PolarHBondContact O-N 3.26Å; Q94-A96 PolarHBondContact O-N 2.91Å; Q94-S97 PolarHBondContact O-N 3.28Å; Q94-S97 PolarHBondContact O-OG 3.32Å; Q94-S97 VanDerWaalsContact O-OG 3.08Å
95	M	45.9	Very low	42.9	Very low	139 Å²	139	117.3 Å²	117.3	69%	0.685	62%	0.617	S	S	*	*	H	α-helix	trans	-51.7	-21.4	173.3	-76.6	-90.4	-92.5	0	0	112.5	V93 S97 L98 L99	V93-M95 PolarHBondContact O-N 3.06Å; M95-S97 VanDerWaalsContact C-N 3.33Å; M95-S97 PolarHBondContact O-N 3.14Å; M95-L98 PolarHBondContact O-N 3.39Å; M95-L99 PolarHBondContact O-N 3.26Å; M95-L99 VanDerWaalsContact O-N 3.08Å
96	A	50.9	Low	43.6	Very low	61 Å²	61	114.6 Å²	114.6	50%	0.504	62%	0.615	S	S	.	*	H	α-helix	trans	-57.6	-38.3	169.3	0	0	0	0	0	113.4	Q94 L99 D100	Q94-A96 PolarHBondContact O-N 2.91Å; A96-L99 PolarHBondContact O-N 3.24Å; A96-D100 PolarHBondContact O-N 2.93Å; A96-D100 VanDerWaalsContact O-N 3.09Å
97	S	54.4	Low	44.2	Very low	64 Å²	64	113 Å²	113	45%	0.448	61%	0.614	S	S	.	*	H	α-helix	trans	-73.5	-28.1	178.6	76.6	0	0	0	0	112.6	Q94 M95 T101	Q94-S97 PolarHBondContact O-N 3.28Å; Q94-S97 PolarHBondContact O-OG 3.32Å; Q94-S97 VanDerWaalsContact O-OG 3.08Å; M95-S97 VanDerWaalsContact C-N 3.33Å; M95-S97 PolarHBondContact O-N 3.14Å; S97-T101 PolarHBondContact O-N 3.25Å; S97-T101 PolarHBondContact O-OG1 3.02Å; S97-T101 VanDerWaalsContact O-OG1 3.1Å
98	L	47.9	Very low	44.5	Very low	80 Å²	80	113.5 Å²	113.5	42%	0.419	62%	0.619	S	S	.	*	H	α-helix	trans	-73.4	-37.6	173.8	-80.1	168.9	0	0	0	111.6	V93 M95 D100 T101 F102	V93-L98 HydrophobicContact CG1-CD1 3.84Å; V93-L98 HydrophobicContact CG1-CG 4.44Å; M95-L98 PolarHBondContact O-N 3.39Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.8Å; L98-T101 WeakPolarHBondContact CA-OG1 3.45Å; L98-T101 PolarHBondContact O-N 3Å; L98-T101 PolarHBondContact O-OG1 3.21Å; L98-F102 WeakPolarHBondContact O-CD2 3.48Å; L98-F102 PolarHBondContact O-N 2.97Å
99	L	48.2	Very low	44.6	Very low	120 Å²	120	117.2 Å²	117.2	63%	0.628	64%	0.635	S	S	*	*	H	α-helix	trans	-64.6	-33.4	172.8	-85.4	149.6	0	0	0	112.6	M95 A96 F102 S103	M95-L99 PolarHBondContact O-N 3.26Å; M95-L99 VanDerWaalsContact O-N 3.08Å; A96-L99 PolarHBondContact O-N 3.24Å; L99-F102 PolarHBondContact O-N 2.88Å; L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 2.88Å; L99-S103 PolarHBondContact O-OG 3.34Å
100	D	49.8	Very low	45	Very low	106 Å²	106	116.2 Å²	116.2	57%	0.567	64%	0.638	S	S	*	*	H	α-helix	trans	-68.2	-41.1	172.7	-78	-15.6	0	0	0	111.6	A96 L98 F102 S103 E104	A96-D100 PolarHBondContact O-N 2.93Å; A96-D100 VanDerWaalsContact O-N 3.09Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.8Å; D100-F102 PolarHBondContact O-N 3.07Å; D100-S103 WeakPolarHBondContact CA-OG 3.26Å; D100-S103 PolarHBondContact O-N 3.32Å; D100-S103 PolarHBondContact O-OG 2.87Å; D100-E104 PolarHBondContact O-N 3.33Å; D100-E104 VanDerWaalsContact O-N 3.08Å
101	T	49.5	Very low	44.4	Very low	69 Å²	69	112.8 Å²	112.8	42%	0.423	63%	0.627	S	S	.	*	H	α-helix	trans	-69.1	-28.1	174	34.7	0	0	0	0	114.6	S97 L98	S97-T101 PolarHBondContact O-N 3.25Å; S97-T101 PolarHBondContact O-OG1 3.02Å; S97-T101 VanDerWaalsContact O-OG1 3.1Å; L98-T101 WeakPolarHBondContact CA-OG1 3.45Å; L98-T101 PolarHBondContact O-N 3Å; L98-T101 PolarHBondContact O-OG1 3.21Å
102	F	43.6	Very low	44.1	Very low	155 Å²	155	117.8 Å²	117.8	68%	0.68	64%	0.643	S	S	*	*	H	α-helix	trans	-77.6	-28.7	174.3	-93.3	-80.4	0	0	0	112.4	L98 L99 D100 V106	L98-F102 WeakPolarHBondContact O-CD2 3.48Å; L98-F102 PolarHBondContact O-N 2.97Å; L99-F102 PolarHBondContact O-N 2.88Å; D100-F102 PolarHBondContact O-N 3.07Å; F102-V106 WeakPolarHBondContact O-CG2 3.42Å
103	S	47.6	Very low	44.1	Very low	63 Å²	63	123.1 Å²	123.1	44%	0.441	65%	0.648	S	S	.	*	H	α-helix	trans	-78.4	-29.1	175.5	50.2	0	0	0	0	112.8	L99 D100 R105 V106 V107	L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 2.88Å; L99-S103 PolarHBondContact O-OG 3.34Å; D100-S103 WeakPolarHBondContact CA-OG 3.26Å; D100-S103 PolarHBondContact O-N 3.32Å; D100-S103 PolarHBondContact O-OG 2.87Å; S103-R105 VanDerWaalsContact C-N 3.33Å; S103-R105 PolarHBondContact O-N 2.94Å; S103-V106 PolarHBondContact O-N 2.96Å; S103-V107 WeakPolarHBondContact O-CG2 3.47Å
104	E	45.4	Very low	43.8	Very low	155 Å²	155	126.9 Å²	126.9	72%	0.724	66%	0.663	S	S	*	*	H	α-helix	trans	-67.3	-27.7	174.2	-79.3	-174.1	162.4	0	0	114	D100	D100-E104 PolarHBondContact O-N 3.33Å; D100-E104 VanDerWaalsContact O-N 3.08Å
105	R	43.3	Very low	43.5	Very low	224 Å²	224	129 Å²	129	85%	0.845	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-5.4	179.4	-71	-174.3	-179.3	173.5	1.5	115	S103	S103-R105 VanDerWaalsContact C-N 3.33Å; S103-R105 PolarHBondContact O-N 2.94Å
106	V	45.2	Very low	43.3	Very low	120 Å²	120	131.7 Å²	131.7	73%	0.727	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	2.1	-176.7	-179.7	0	0	0	0	112.6	F102 S103	F102-V106 WeakPolarHBondContact O-CG2 3.42Å; S103-V106 PolarHBondContact O-N 2.96Å
107	V	41.1	Very low	42.6	Very low	106 Å²	106	138.3 Å²	138.3	64%	0.642	70%	0.7	S	S	*	*	S	Bend	trans	-88.1	-9.3	-173.7	-179.9	0	0	0	0	114.5	S103 N109	S103-V107 WeakPolarHBondContact O-CG2 3.47Å; V107-N109 PolarHBondContact O-N 3.47Å
108	D	37.8	Very low	41.7	Very low	155 Å²	155	144.3 Å²	144.3	83%	0.829	72%	0.721	S	S	*	*	S	Bend	trans	-91	10.2	-170.5	-90	-13.6	0	0	0	117.5
109	N	36.3	Very low	41.2	Very low	168 Å²	168	147.1 Å²	147.1	90%	0.898	74%	0.736	S	S	*	*			trans	-121	48.7	177.2	-86	-20.3	0	0	0	113.7	V107	V107-N109 PolarHBondContact O-N 3.47Å
110	S	37.6	Very low	40.6	Very low	97 Å²	97	147.1 Å²	147.1	68%	0.678	75%	0.747	S	S	*	*			trans	-87	117.2	162.7	66.9	0	0	0	0	110.6
111	S	34.6	Very low	40.1	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	75%	0.752	S	S	*	*			trans	-49.2	146.9	-177.7	46.4	0	0	0	0	115.8	W113	S111-W113 PolarHBondContact O-N 3.44Å
112	I	39.3	Very low	40	Very low	166 Å²	166	152.4 Å²	152.4	85%	0.851	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.5	-1	178	-82	165.2	0	0	0	117.1
113	W	41.9	Very low	40.3	Very low	232 Å²	232	149.7 Å²	149.7	88%	0.879	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	5.8	-170.5	-84.2	85.3	0	0	0	116.6	S111	S111-W113 PolarHBondContact O-N 3.44Å
114	M	37.5	Very low	40.5	Very low	151 Å²	151	151.4 Å²	151.4	74%	0.744	77%	0.774	S	S	*	*			trans	-112.1	72	175.6	-80.6	-159	-82	0	0	113.8	K116	M114-K116 PolarHBondContact O-N 3.21Å
115	M	35.4	Very low	41.5	Very low	189 Å²	189	148 Å²	148	93%	0.931	77%	0.768	S	S	*	*			trans	-74.8	96.2	163.4	-78.9	-98.7	173.9	0	0	110.1	K117	M115-K117 PolarHBondContact O-N 2.99Å
116	K	41.2	Very low	42.9	Very low	194 Å²	194	145 Å²	145	84%	0.843	76%	0.761	S	S	*	*			trans	-74.1	108.9	169.3	-85.8	-179	177.2	171	0	110.2	M114 Q118	M114-K116 PolarHBondContact O-N 3.21Å; K116-Q118 PolarHBondContact O-N 3.29Å
117	K	37.8	Very low	44.2	Very low	200 Å²	200	146.2 Å²	146.2	87%	0.87	76%	0.756	S	S	*	*			trans	-59.4	115.7	161.7	-105.5	180	175.3	175.8	0	109.5	M115 N119	M115-K117 PolarHBondContact O-N 2.99Å; K117-N119 PolarHBondContact O-N 2.92Å
118	Q	35.2	Very low	45.5	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	75%	0.749	S	S	*	*			trans	-68.2	111.7	166.6	-74.7	179.1	-14	0	0	109.1	K116	K116-Q118 PolarHBondContact O-N 3.29Å
119	N	36.9	Very low	47.3	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	74%	0.738	S	S	*	*			trans	-118.9	116.8	159.4	-90.2	-5.6	0	0	0	108.3	K117 T121	K117-N119 PolarHBondContact O-N 2.92Å; N119-T121 PolarHBondContact O-N 3.39Å
120	S	34.8	Very low	49.3	Very low	121 Å²	121	144 Å²	144	85%	0.846	73%	0.729	S	S	*	*			trans	-50.7	119.7	175.5	52.1	0	0	0	0	111.4
121	T	40.6	Very low	51.1	Low	110 Å²	110	141.7 Å²	141.7	68%	0.675	72%	0.715	S	S	*	*			trans	-123	128.4	163.7	41.7	0	0	0	0	109.5	N119 V123	N119-T121 PolarHBondContact O-N 3.39Å; T121-V123 VanDerWaalsContact C-N 3.33Å; T121-V123 PolarHBondContact O-N 3.37Å
122	I	45.9	Very low	53.1	Low	176 Å²	176	142.9 Å²	142.9	90%	0.903	71%	0.711	S	S	*	*			trans	-72.2	87	-175.4	-62	158.3	0	0	0	107.5
123	V	50.2	Low	55	Low	97 Å²	97	137.7 Å²	137.7	59%	0.588	69%	0.693	S	S	*	*			trans	-133.3	118	162.8	-177	0	0	0	0	105.6	T121 S125 L128	T121-V123 VanDerWaalsContact C-N 3.33Å; T121-V123 PolarHBondContact O-N 3.37Å; V123-S125 PolarHBondContact O-N 2.83Å; V123-L128 HydrophobicContact CG1-CD1 3.84Å
124	D	53.5	Low	56.8	Low	99 Å²	99	133.7 Å²	133.7	53%	0.529	68%	0.682	S	S	.	*			trans	-52.7	98.7	175.4	-85.3	-33.1	0	0	0	109.4	K126 K127 L128	D124-K126 PolarHBondContact O-N 2.87Å; D124-K126 VanDerWaalsContact O-N 3.14Å; D124-K127 HydrophobicContact CB-CB 4.01Å; D124-K127 HydrophobicContact CB-CD 4.11Å; D124-K127 HydrophobicContact CB-CG 4Å; D124-K127 PolarHBondContact O-N 3.33Å; D124-K127 IonicContact OD2-NZ 2.69Å; D124-K127 PolarHBondContact OD2-NZ 3.09Å; D124-L128 PolarHBondContact O-N 3.02Å
125	S	66.4	Low	58.6	Low	84 Å²	84	131.1 Å²	131.1	59%	0.587	67%	0.671	S	S	*	*	H	α-helix	trans	-51.4	-37.7	175.6	50.1	0	0	0	0	111.1	V123 K127 L128 E129	V123-S125 PolarHBondContact O-N 2.83Å; S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact O-N 3.5Å; S125-L128 PolarHBondContact O-N 3.2Å; S125-E129 PolarHBondContact O-N 3.39Å
126	K	71.9	Confident	60.6	Low	162 Å²	162	129.2 Å²	129.2	70%	0.704	66%	0.657	S	S	*	*	H	α-helix	trans	-62.9	-29.4	176.4	-68.6	-173.4	176	-179.5	0	114.6	D124 K130	D124-K126 PolarHBondContact O-N 2.87Å; D124-K126 VanDerWaalsContact O-N 3.14Å; K126-K130 WeakPolarHBondContact O-CB 3.37Å; K126-K130 PolarHBondContact O-N 3.44Å
127	K	71.9	Confident	62.2	Low	144 Å²	144	124.5 Å²	124.5	63%	0.626	64%	0.638	S	S	*	*	H	α-helix	trans	-79.3	-34	176.9	-79.3	-177.1	-177.6	133	0	111.5	D124 S125 A131	D124-K127 HydrophobicContact CB-CB 4.01Å; D124-K127 HydrophobicContact CB-CD 4.11Å; D124-K127 HydrophobicContact CB-CG 4Å; D124-K127 PolarHBondContact O-N 3.33Å; D124-K127 IonicContact OD2-NZ 2.69Å; D124-K127 PolarHBondContact OD2-NZ 3.09Å; S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact O-N 3.5Å; K127-A131 PolarHBondContact O-N 2.9Å; K127-A131 VanDerWaalsContact O-N 3.09Å
128	L	69.9	Low	64	Low	91 Å²	91	122.5 Å²	122.5	48%	0.476	63%	0.629	S	S	.	*	H	α-helix	trans	-69.8	-46.3	177.6	-125.5	149.8	0	0	0	110.9	V123 D124 S125 K130 A131 E132	V123-L128 HydrophobicContact CG1-CD1 3.84Å; D124-L128 PolarHBondContact O-N 3.02Å; S125-L128 PolarHBondContact O-N 3.2Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-K130 PolarHBondContact O-N 2.89Å; L128-A131 PolarHBondContact O-N 2.83Å; L128-A131 VanDerWaalsContact O-N 3.08Å; L128-E132 PolarHBondContact O-N 3.29Å
129	E	75.4	Confident	65.7	Low	130 Å²	130	119.6 Å²	119.6	61%	0.607	62%	0.616	S	S	*	*	H	α-helix	trans	-58.6	-42.1	172.3	-82.5	-178.6	142.7	0	0	112.3	S125 A131 E132 A133	S125-E129 PolarHBondContact O-N 3.39Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.16Å; E129-E132 PolarHBondContact O-N 2.8Å; E129-A133 VanDerWaalsContact O-CB 3.23Å; E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 2.98Å
130	K	78.3	Confident	67.3	Low	161 Å²	161	118.7 Å²	118.7	70%	0.7	61%	0.61	S	S	*	*	H	α-helix	trans	-64.2	-32.3	176.1	-89.1	-175.4	175.3	-179.8	0	113.1	K126 L128 K134	K126-K130 WeakPolarHBondContact O-CB 3.37Å; K126-K130 PolarHBondContact O-N 3.44Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-K130 PolarHBondContact O-N 2.89Å; K130-K134 WeakPolarHBondContact O-CG 3.1Å; K130-K134 PolarHBondContact O-N 3.16Å
131	A	75.1	Confident	68.9	Low	49 Å²	49	118.5 Å²	118.5	41%	0.405	59%	0.594	S	S	.	*	H	α-helix	trans	-74.7	-44	176.8	0	0	0	0	0	111.2	K127 L128 E129 K134 I135	K127-A131 PolarHBondContact O-N 2.9Å; K127-A131 VanDerWaalsContact O-N 3.09Å; L128-A131 PolarHBondContact O-N 2.83Å; L128-A131 VanDerWaalsContact O-N 3.08Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.16Å; A131-K134 PolarHBondContact O-N 3.47Å; A131-I135 WeakPolarHBondContact O-CG1 3.37Å; A131-I135 PolarHBondContact O-N 2.58Å
132	E	76.8	Confident	70	Confident	115 Å²	115	121.9 Å²	121.9	54%	0.537	60%	0.6	S	S	.	*	H	α-helix	trans	-64.3	-41.3	176	-72.7	-177.7	170.5	0	0	112.1	L128 E129 K134 I135 K136	L128-E132 PolarHBondContact O-N 3.29Å; E129-E132 PolarHBondContact O-N 2.8Å; E132-K134 VanDerWaalsContact C-N 3.35Å; E132-K134 PolarHBondContact O-N 2.86Å; E132-I135 PolarHBondContact O-N 3.37Å; E132-K136 PolarHBondContact O-N 3.17Å
133	A	79.2	Confident	70.4	Confident	58 Å²	58	117.3 Å²	117.3	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-60.4	-42.5	174.2	0	0	0	0	0	111.9	E129 I135 K136 E137	E129-A133 VanDerWaalsContact O-CB 3.23Å; E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 2.98Å; A133-I135 VanDerWaalsContact C-N 3.34Å; A133-I135 PolarHBondContact O-N 2.91Å; A133-K136 PolarHBondContact O-N 3.42Å; A133-E137 WeakPolarHBondContact O-CB 3.45Å; A133-E137 PolarHBondContact O-N 3.2Å
134	K	79	Confident	70.3	Confident	147 Å²	147	118.2 Å²	118.2	64%	0.639	59%	0.594	S	S	*	*	H	α-helix	trans	-66.1	-32.9	175.2	-82.9	-176.5	176	-177.1	0	113.2	K130 A131 E132 K138	K130-K134 WeakPolarHBondContact O-CG 3.1Å; K130-K134 PolarHBondContact O-N 3.16Å; A131-K134 PolarHBondContact O-N 3.47Å; E132-K134 VanDerWaalsContact C-N 3.35Å; E132-K134 PolarHBondContact O-N 2.86Å; K134-K138 WeakPolarHBondContact O-CB 3.41Å; K134-K138 PolarHBondContact O-N 3.4Å
135	I	75.6	Confident	70	Confident	98 Å²	98	120.5 Å²	120.5	50%	0.503	60%	0.604	S	S	.	*	H	α-helix	trans	-72	-45.1	176.5	-67.3	164.7	0	0	0	110.1	A131 E132 A133 E137 K138 Q139	A131-I135 WeakPolarHBondContact O-CG1 3.37Å; A131-I135 PolarHBondContact O-N 2.58Å; E132-I135 PolarHBondContact O-N 3.37Å; A133-I135 VanDerWaalsContact C-N 3.34Å; A133-I135 PolarHBondContact O-N 2.91Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 3.46Å; I135-K138 PolarHBondContact O-N 3.45Å; I135-Q139 WeakPolarHBondContact O-CG 3.25Å; I135-Q139 PolarHBondContact O-N 3.06Å
136	K	76.4	Confident	68.5	Low	149 Å²	149	119.3 Å²	119.3	65%	0.648	61%	0.605	S	S	*	*	H	α-helix	trans	-59.3	-43.6	173	-86.8	-175.5	174.1	179.2	0	111.8	E132 A133 K138 Q139 L140	E132-K136 PolarHBondContact O-N 3.17Å; A133-K136 PolarHBondContact O-N 3.42Å; K136-K138 PolarHBondContact O-N 2.68Å; K136-Q139 PolarHBondContact O-N 3.01Å; K136-L140 WeakPolarHBondContact O-CB 3.2Å; K136-L140 WeakPolarHBondContact O-CG 2.96Å; K136-L140 PolarHBondContact O-N 2.83Å
137	E	76.1	Confident	66.7	Low	95 Å²	95	122.4 Å²	122.4	44%	0.444	61%	0.613	S	S	.	*	H	α-helix	trans	-64.6	-38	177.6	-160.9	-168.1	159.3	0	0	112.1	A133 I135 K141	A133-E137 WeakPolarHBondContact O-CB 3.45Å; A133-E137 PolarHBondContact O-N 3.2Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 3.46Å; E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.2Å; E137-K141 PolarHBondContact O-N 3.28Å; E137-K141 VanDerWaalsContact OE1-CE 3.27Å; E137-K141 WeakPolarHBondContact OE1-CE 3.41Å; E137-K141 IonicContact OE1-NZ 2.69Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å
138	K	74.9	Confident	64.8	Low	157 Å²	157	121.9 Å²	121.9	68%	0.683	62%	0.624	S	S	*	*	H	α-helix	trans	-68.7	-35.7	173.5	-83.8	-174.7	175	-177	0	113	K134 I135 K136 K142	K134-K138 WeakPolarHBondContact O-CB 3.41Å; K134-K138 PolarHBondContact O-N 3.4Å; I135-K138 PolarHBondContact O-N 3.45Å; K136-K138 PolarHBondContact O-N 2.68Å; K138-K142 WeakPolarHBondContact O-CB 3.49Å; K138-K142 PolarHBondContact O-N 3.08Å
139	Q	71.1	Confident	63	Low	130 Å²	130	121.1 Å²	121.1	61%	0.607	64%	0.638	S	S	*	*	H	α-helix	trans	-69.4	-41.9	175.2	-75.5	-179.5	-10	0	0	111.4	I135 K136 K142 A143	I135-Q139 WeakPolarHBondContact O-CG 3.25Å; I135-Q139 PolarHBondContact O-N 3.06Å; K136-Q139 PolarHBondContact O-N 3.01Å; Q139-K142 PolarHBondContact O-N 3.45Å; Q139-A143 PolarHBondContact O-N 3.28Å
140	L	69.7	Low	60.8	Low	120 Å²	120	122.8 Å²	122.8	63%	0.628	65%	0.651	S	S	*	*	H	α-helix	trans	-61.6	-49.3	173.3	-77	161.2	0	0	0	111.1	K136 K142 A143 T144	K136-L140 WeakPolarHBondContact O-CB 3.2Å; K136-L140 WeakPolarHBondContact O-CG 2.96Å; K136-L140 PolarHBondContact O-N 2.83Å; L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 PolarHBondContact O-N 3.4Å; L140-A143 WeakPolarHBondContact O-CB 3.26Å; L140-A143 PolarHBondContact O-N 3.48Å; L140-T144 PolarHBondContact O-N 2.94Å; L140-T144 PolarHBondContact O-OG1 3.27Å
141	K	68.7	Low	58.5	Low	116 Å²	116	121.1 Å²	121.1	50%	0.504	66%	0.66	S	S	.	*	H	α-helix	trans	-61.3	-33.4	176.7	-75.1	178.6	-176.1	170.1	0	113.2	E137 T144 I145	E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.2Å; E137-K141 PolarHBondContact O-N 3.28Å; E137-K141 VanDerWaalsContact OE1-CE 3.27Å; E137-K141 WeakPolarHBondContact OE1-CE 3.41Å; E137-K141 IonicContact OE1-NZ 2.69Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å; K141-T144 PolarHBondContact O-N 2.91Å; K141-I145 VanDerWaalsContact O-CD1 3.3Å; K141-I145 WeakPolarHBondContact O-CD1 3.32Å; K141-I145 VanDerWaalsContact O-CG1 3.25Å; K141-I145 WeakPolarHBondContact O-CG1 3.44Å; K141-I145 PolarHBondContact O-N 3.42Å
142	K	64.1	Low	56.5	Low	182 Å²	182	121.8 Å²	121.8	79%	0.791	67%	0.671	S	S	*	*	H	α-helix	trans	-70.4	-32.5	172.9	-87	-173	170.2	-171.3	0	112.8	K138 Q139 L140	K138-K142 WeakPolarHBondContact O-CB 3.49Å; K138-K142 PolarHBondContact O-N 3.08Å; Q139-K142 PolarHBondContact O-N 3.45Å; L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 PolarHBondContact O-N 3.4Å
143	A	54.1	Low	54.3	Low	80 Å²	80	125.6 Å²	125.6	66%	0.661	69%	0.686	S	S	*	*	H	α-helix	trans	-72.1	-30.4	174.4	0	0	0	0	0	112.5	Q139 L140	Q139-A143 PolarHBondContact O-N 3.28Å; L140-A143 WeakPolarHBondContact O-CB 3.26Å; L140-A143 PolarHBondContact O-N 3.48Å
144	T	48.6	Very low	51.9	Low	116 Å²	116	128 Å²	128	71%	0.712	71%	0.706	S	S	*	*	H	α-helix	trans	-82.7	-18.3	-177.2	-28	0	0	0	0	114.5	L140 K141	L140-T144 PolarHBondContact O-N 2.94Å; L140-T144 PolarHBondContact O-OG1 3.27Å; K141-T144 PolarHBondContact O-N 2.91Å
145	I	46.7	Very low	49.6	Very low	146 Å²	146	127.8 Å²	127.8	75%	0.749	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	0.4	-173.4	-67.7	168.6	0	0	0	113.1	K141	K141-I145 VanDerWaalsContact O-CD1 3.3Å; K141-I145 WeakPolarHBondContact O-CD1 3.32Å; K141-I145 VanDerWaalsContact O-CG1 3.25Å; K141-I145 WeakPolarHBondContact O-CG1 3.44Å; K141-I145 PolarHBondContact O-N 3.42Å
146	G	35	Very low	47.3	Very low	59 Å²	59	131.3 Å²	131.3	61%	0.608	73%	0.725	S	S	*	*	S	Bend	trans	-109.7	65.7	-178.9	0	0	0	0	0	115
147	R	33.3	Very low	45.1	Very low	227 Å²	227	130.2 Å²	130.2	86%	0.857	73%	0.73	S	S	*	*			trans	159.3	112.3	145.8	-92.6	170.3	179.9	-176.8	0.7	111.5
148	P	33.2	Very low	42.9	Very low	134 Å²	134	133.9 Å²	133.9	87%	0.87	75%	0.745	S	S	*	*			trans	-86.4	129.1	161.3	28.7	-20.7	0	0	0	110.9
149	G	31.3	Very low	40.7	Very low	74 Å²	74	135.4 Å²	135.4	76%	0.763	75%	0.754	S	S	*	*			trans	63.4	95.4	140.8	0	0	0	0	0	119.1
150	N	30.1	Very low	38.9	Very low	166 Å²	166	134.6 Å²	134.6	89%	0.888	75%	0.754	S	S	*	*			trans	-143.2	91.4	133.8	-148.2	15.8	0	0	0	109.2	G152	N150-G152 PolarHBondContact O-N 3.24Å
151	S	29.7	Very low	38	Very low	125 Å²	125	136.8 Å²	136.8	87%	0.874	76%	0.761	S	S	*	*			trans	-79.7	98.2	168.6	50.4	0	0	0	0	108.4
152	G	32	Very low	37.7	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	77%	0.771	S	S	*	*			trans	-143.1	101.7	174.8	0	0	0	0	0	109.7	N150	N150-G152 PolarHBondContact O-N 3.24Å
153	K	30.7	Very low	37.8	Very low	196 Å²	196	133 Å²	133	85%	0.852	75%	0.745	S	S	*	*			trans	38.5	112.3	163.2	-66.7	-179.4	177.1	-179.4	0	116.9	I155	K153-I155 PolarHBondContact O-N 2.76Å
154	A	28.5	Very low	38.5	Very low	109 Å²	109	133.8 Å²	133.8	90%	0.901	74%	0.742	S	S	*	*			trans	-52.6	106.1	154.6	0	0	0	0	0	108.4
155	I	32.3	Very low	39.9	Very low	141 Å²	141	129.8 Å²	129.8	72%	0.723	72%	0.717	S	S	*	*			trans	-82.8	116.7	165.5	-66	170	0	0	0	104.4	K153 V157	K153-I155 PolarHBondContact O-N 2.76Å; I155-V157 PolarHBondContact O-N 2.89Å
156	E	26.3	Very low	41.2	Very low	172 Å²	172	125.9 Å²	125.9	80%	0.804	70%	0.703	S	S	*	*			trans	-50.8	106.5	163	-73.5	178.1	158	0	0	108.1	K158	E156-K158 PolarHBondContact O-N 3.48Å
157	V	30.3	Very low	43	Very low	126 Å²	126	125.5 Å²	125.5	76%	0.764	69%	0.685	S	S	*	*			trans	-73.9	88.3	171.1	-178.4	0	0	0	0	105.7	I155 E159	I155-V157 PolarHBondContact O-N 2.89Å; V157-E159 PolarHBondContact O-N 3.45Å
158	K	29.7	Very low	44.3	Very low	173 Å²	173	121.5 Å²	121.5	75%	0.752	68%	0.676	S	S	*	*			trans	-53	123.8	149.1	-80.3	-173.9	174.1	-176.5	0	106.1	E156 N160	E156-K158 PolarHBondContact O-N 3.48Å; K158-N160 PolarHBondContact O-N 2.91Å
159	E	29.5	Very low	45.4	Very low	189 Å²	189	117.6 Å²	117.6	88%	0.883	66%	0.655	S	S	*	*			trans	-47.9	87.5	172.1	-72.9	176.9	138.1	0	0	110	V157	V157-E159 PolarHBondContact O-N 3.45Å
160	N	33.7	Very low	46.4	Very low	112 Å²	112	119.7 Å²	119.7	60%	0.599	65%	0.649	S	S	*	*			trans	-123	106.5	172	-93.2	-20.1	0	0	0	105.3	K158 R162	K158-N160 PolarHBondContact O-N 2.91Å; N160-R162 PolarHBondContact O-N 3.37Å
161	E	49.8	Very low	47.3	Very low	167 Å²	167	122.9 Å²	122.9	78%	0.78	65%	0.649	S	S	*	*			trans	-41.4	56.3	174.6	-67.4	-176.9	154.3	0	0	116.2	Y196	E161-Y196 VanDerWaalsContact CB-OH 3.31Å; E161-Y196 WeakPolarHBondContact CB-OH 3.49Å
162	R	62.1	Low	48.2	Very low	187 Å²	187	127.2 Å²	127.2	71%	0.706	65%	0.646	S	S	*	*			trans	-114.3	132.7	-177.1	-65	-173.3	179.5	-176.6	0.7	111	N160	N160-R162 PolarHBondContact O-N 3.37Å
163	A	66.6	Low	49.1	Very low	30 Å²	30	129.2 Å²	129.2	25%	0.248	64%	0.638	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	143.7	170.6	0	0	0	0	0	110.2	A195 Y196 T227	A163-A195 CarbonylContact C-O 3.59Å; A163-A195 VanDerWaalsContact CA-O 3.23Å; A163-A195 WeakPolarHBondContact CA-O 3.31Å; A163-Y196 HydrophobicContact CB-CD2 4.12Å; A163-T227 HydrophobicContact CB-CG2 3.47Å; A163-T227 VanDerWaalsContact CB-CG2 3.47Å
164	T	69.8	Low	49.9	Very low	97 Å²	97	125 Å²	125	60%	0.595	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.5	131.1	173.4	-48.9	0	0	0	0	108.7	A195	T164-A195 PolarHBondContact N-O 3.39Å; T164-A195 PolarHBondContact O-N 3.23Å
165	V	77.1	Confident	50.8	Low	33 Å²	33	123.6 Å²	123.6	20%	0.2	61%	0.613	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.4	135.3	178.7	-179.3	0	0	0	0	109	D193 I194 D236 L237	V165-D193 WeakPolarHBondContact CA-O 3.38Å; V165-I194 HydrophobicContact CG2-CG1 4.3Å; V165-D236 HydrophobicContact CB-CB 4.19Å; V165-D236 HydrophobicContact CG2-CB 3.89Å; V165-L237 HydrophobicContact CG1-CD2 3.55Å; V165-L237 HydrophobicContact CG1-CG 4.14Å
166	S	74.8	Confident	51.5	Low	64 Å²	64	120.5 Å²	120.5	45%	0.448	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130	130.2	169.4	57.9	0	0	0	0	110.8	F192 D193	S166-F192 WeakPolarHBondContact O-CA 3.12Å; S166-D193 PolarHBondContact N-O 3.33Å; S166-D193 PolarHBondContact O-N 3.31Å; S166-D193 PolarHBondContact OG-OD2 3.06Å
167	Q	72.8	Confident	52.6	Low	50 Å²	50	117.4 Å²	117.4	23%	0.234	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.7	127.3	179.3	-170.6	177.4	18.3	0	0	109.1	A169 F192	Q167-A169 PolarHBondContact O-N 3.05Å; Q167-F192 HydrophobicContact CB-CB 4.34Å; Q167-F192 HydrophobicContact CG-CB 4.23Å
168	Q	60.6	Low	53.3	Low	144 Å²	144	115.6 Å²	115.6	67%	0.673	58%	0.58	S	S	*	*			trans	-78.5	110.6	170.8	-69.9	-173.5	7.8	0	0	108.7	N191	Q168-N191 PolarHBondContact N-O 2.91Å
169	A	54.7	Low	53.7	Low	52 Å²	52	114.5 Å²	114.5	43%	0.43	58%	0.583	S	S	.	*			trans	-81.4	124.4	176.9	0	0	0	0	0	110.3	Q167 R171 L174	Q167-A169 PolarHBondContact O-N 3.05Å; A169-R171 PolarHBondContact O-N 3.28Å; A169-L174 HydrophobicContact CB-CD1 4.47Å
170	D	54	Low	54.2	Low	117 Å²	117	110.4 Å²	110.4	63%	0.626	57%	0.57	S	S	*	*			trans	-76.8	116.8	165.3	-135	-15.5	0	0	0	108.4	R172 E173	D170-R172 PolarHBondContact O-N 3.42Å; D170-E173 PolarHBondContact O-N 2.69Å; D170-E173 VanDerWaalsContact O-N 3.15Å
171	R	49.3	Very low	54.5	Low	233 Å²	233	112.1 Å²	112.1	88%	0.879	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-13.8	-168.8	-112.2	-180	172.5	-175.9	-2.3	114.3	A169	A169-R171 PolarHBondContact O-N 3.28Å
172	R	48.8	Very low	54.1	Low	217 Å²	217	107 Å²	107	82%	0.819	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-26	-179.3	-74.5	178.4	175.5	169.6	-1.2	113.6	D170	D170-R172 PolarHBondContact O-N 3.42Å
173	E	51	Low	53.5	Low	104 Å²	104	106.7 Å²	106.7	49%	0.486	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-75.8	-30.1	-175.8	-68.9	-168.3	148.1	0	0	113.1	D170 A175 S176 F177	D170-E173 PolarHBondContact O-N 2.69Å; D170-E173 VanDerWaalsContact O-N 3.15Å; E173-A175 PolarHBondContact O-N 2.69Å; E173-S176 PolarHBondContact O-N 3.06Å; E173-S176 PolarHBondContact O-OG 3.17Å; E173-F177 HydrophobicContact CB-CE2 4.36Å; E173-F177 WeakPolarHBondContact O-CD2 3.45Å; E173-F177 WeakPolarHBondContact O-CE2 3.36Å
174	L	46.6	Very low	53.1	Low	108 Å²	108	107.8 Å²	107.8	57%	0.565	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-61.9	-26.1	-178.6	-87.8	90.4	0	0	0	114.3	A169	A169-L174 HydrophobicContact CB-CD1 4.47Å
175	A	47.7	Very low	53.2	Low	79 Å²	79	104.9 Å²	104.9	65%	0.653	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-82.8	-16.8	-177.7	0	0	0	0	0	113.2	E173	E173-A175 PolarHBondContact O-N 2.69Å
176	S	47.6	Very low	53.6	Low	76 Å²	76	106.5 Å²	106.5	53%	0.531	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-24.6	-174.8	-29.2	0	0	0	0	113.1	E173	E173-S176 PolarHBondContact O-N 3.06Å; E173-S176 PolarHBondContact O-OG 3.17Å
177	F	48.7	Very low	54.2	Low	108 Å²	108	103.5 Å²	103.5	47%	0.474	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	-7.8	-171.2	-72.2	-74.5	0	0	0	114.5	E173 P240 P241	E173-F177 HydrophobicContact CB-CE2 4.36Å; E173-F177 WeakPolarHBondContact O-CD2 3.45Å; E173-F177 WeakPolarHBondContact O-CE2 3.36Å; F177-P240 HydrophobicContact CE1-CB 4.36Å; F177-P241 HydrophobicContact CD1-CG 4.35Å
178	S	44.4	Very low	55	Low	87 Å²	87	109.3 Å²	109.3	61%	0.608	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-12.8	-172.8	66.4	0	0	0	0	115
179	N	38.5	Very low	56.3	Low	151 Å²	151	102.5 Å²	102.5	81%	0.807	54%	0.541	S	S	*	.	S	Bend	trans	-134.4	11.2	-168.4	-80.7	-14.1	0	0	0	116.1
180	V	40.5	Very low	57.9	Low	102 Å²	102	104.9 Å²	104.9	62%	0.618	54%	0.543	S	S	*	.			trans	-114.9	119.6	175.5	-174.3	0	0	0	0	108.4	S182	V180-S182 PolarHBondContact O-N 3.01Å
181	V	38.7	Very low	59.5	Low	149 Å²	149	103 Å²	103	90%	0.903	53%	0.533	S	S	*	.			trans	-60.9	85.1	162	179	0	0	0	0	105.8	H183	V181-H183 PolarHBondContact O-N 3.47Å; V181-H183 VanDerWaalsContact O-N 3.13Å
182	S	41.5	Very low	61.4	Low	59 Å²	59	91.9 Å²	91.9	41%	0.413	49%	0.491	S	S	.	.			trans	-77.2	107.8	-165.1	50.6	0	0	0	0	108.6	V180 V184	V180-S182 PolarHBondContact O-N 3.01Å; S182-V184 PolarHBondContact O-N 3Å
183	H	49.7	Very low	63.4	Low	181 Å²	181	83.9 Å²	83.9	84%	0.838	46%	0.464	S	S	*	.			trans	-41.8	129.8	150.7	-79	-74.2	0	0	0	107.8	V181 G185	V181-H183 PolarHBondContact O-N 3.47Å; V181-H183 VanDerWaalsContact O-N 3.13Å; H183-G185 VanDerWaalsContact C-N 3.29Å; H183-G185 PolarHBondContact O-N 3.26Å
184	V	58.5	Low	65.2	Low	53 Å²	53	79 Å²	79	32%	0.321	44%	0.442	S	S	.	.	S	Bend	trans	-54.2	98.3	174.6	177	0	0	0	0	107.1	S182 Y211 D364	S182-V184 PolarHBondContact O-N 3Å; V184-Y211 HydrophobicContact CG1-CD2 4.25Å; V184-Y211 HydrophobicContact CG1-CE2 4.33Å; V184-D364 HydrophobicContact CG1-CB 3.84Å
185	G	71.7	Confident	67	Low	35 Å²	35	75 Å²	75	36%	0.361	42%	0.424	S	S	.	.			trans	-101.5	-171.3	-173.3	0	0	0	0	0	111.4	H183	H183-G185 VanDerWaalsContact C-N 3.29Å; H183-G185 PolarHBondContact O-N 3.26Å
186	D	85.9	Confident	68.6	Low	68 Å²	68	75.2 Å²	75.2	36%	0.364	41%	0.408	S	S	.	.			trans	-59.3	138.4	175.7	-62.3	-9.8	0	0	0	111.6	L209 T210 Y211	D186-L209 CarbonylContact C-O 3.58Å; D186-L209 WeakPolarHBondContact CA-O 3.32Å; D186-T210 VanDerWaalsContact OD1-CA 3.25Å; D186-T210 WeakPolarHBondContact OD1-CA 3.46Å; D186-T210 VanDerWaalsContact OD1-CG2 3.28Å; D186-T210 WeakPolarHBondContact OD1-CG2 3.41Å; D186-Y211 PolarHBondContact OD1-N 3.47Å; D186-Y211 VanDerWaalsContact OD1-N 3.12Å
187	I	88.2	Confident	70	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.1	174.3	-58.9	170.4	0	0	0	107.8	L189 S208 L209 L239 V243 L365 I393	I187-L189 HydrophobicContact CG2-CG 4.23Å; I187-S208 CarbonylContact O-C 3.56Å; I187-S208 WeakPolarHBondContact O-CA 3.23Å; I187-L209 HydrophobicContact CB-CB 4.19Å; I187-L209 HydrophobicContact CD1-CD1 4.47Å; I187-L209 PolarHBondContact N-O 2.99Å; I187-L209 PolarHBondContact O-N 3.45Å; I187-L239 HydrophobicContact CD1-CD2 4.42Å; I187-L239 HydrophobicContact CG2-CD2 3.5Å; I187-L239 VanDerWaalsContact CG2-CD2 3.5Å; I187-V243 HydrophobicContact CD1-CG1 4.13Å; I187-L365 HydrophobicContact CD1-CB 4.41Å; I187-L365 HydrophobicContact CD1-CD2 3.91Å; I187-I393 HydrophobicContact CD1-CD1 3.99Å; I187-I393 HydrophobicContact CG1-CD1 4.25Å
188	R	89.4	Confident	71.1	Confident	172 Å²	172	75.6 Å²	75.6	65%	0.649	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.3	175	-62.6	-176.9	-173.7	175.2	3.2	109.5
189	L	87.9	Confident	72.8	Confident	2 Å²	2	78 Å²	78	1%	0.01	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.6	176.4	-62.4	173.6	0	0	0	108.1	I187 F192 N206 L207 L232 L237 R238 L239	I187-L189 HydrophobicContact CG2-CG 4.23Å; L189-F192 HydrophobicContact CB-CD1 4Å; L189-F192 HydrophobicContact CB-CE1 3.99Å; L189-N206 CarbonylContact O-C 3.47Å; L189-N206 WeakPolarHBondContact O-CA 3.35Å; L189-L207 HydrophobicContact CB-CB 4.29Å; L189-L207 HydrophobicContact CD1-CD2 4.28Å; L189-L207 PolarHBondContact N-O 3.1Å; L189-L207 PolarHBondContact O-N 3.4Å; L189-L232 HydrophobicContact CD1-CD2 3.65Å; L189-L237 HydrophobicContact CD1-CB 4.05Å; L189-L237 HydrophobicContact CD1-CD1 4.13Å; L189-L237 HydrophobicContact CD2-CB 4.39Å; L189-R238 WeakPolarHBondContact CD2-O 3.46Å; L189-L239 HydrophobicContact CD1-CD2 4.23Å; L189-L239 HydrophobicContact CD2-CD2 4.37Å
190	E	87.6	Confident	75.1	Confident	102 Å²	102	73.6 Å²	73.6	48%	0.477	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.3	-178.8	-59.8	-171.2	171.9	0	0	111.3	F192 N206	E190-F192 PolarHBondContact O-N 3.32Å; E190-N206 WeakPolarHBondContact CA-OD1 3.49Å
191	N	87.2	Confident	77.3	Confident	76 Å²	76	69.3 Å²	69.3	41%	0.406	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.1	54.7	170.8	-63.2	-42.5	0	0	0	114.5	Q168 A205 N206	Q168-N191 PolarHBondContact N-O 2.91Å; N191-A205 PolarHBondContact N-O 2.89Å; N191-A205 VanDerWaalsContact N-O 3.15Å; N191-N206 PolarHBondContact N-OD1 3.03Å
192	F	89.9	Confident	79.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	145.1	173.8	69.4	-89.6	0	0	0	112.2	S166 Q167 L189 E190 I194 L202 G204 A205 L207 L228 L237 L419	S166-F192 WeakPolarHBondContact O-CA 3.12Å; Q167-F192 HydrophobicContact CB-CB 4.34Å; Q167-F192 HydrophobicContact CG-CB 4.23Å; L189-F192 HydrophobicContact CB-CD1 4Å; L189-F192 HydrophobicContact CB-CE1 3.99Å; E190-F192 PolarHBondContact O-N 3.32Å; F192-I194 HydrophobicContact CD2-CD1 4.13Å; F192-I194 HydrophobicContact CD2-CG1 3.92Å; F192-I194 HydrophobicContact CE2-CD1 3.92Å; F192-I194 HydrophobicContact CE2-CG1 4.14Å; F192-L202 HydrophobicContact CE2-CD1 3.86Å; F192-L202 HydrophobicContact CZ-CD1 4.48Å; F192-G204 PolarHBondContact O-N 3.08Å; F192-A205 HydrophobicContact CD1-CB 4.46Å; F192-A205 WeakPolarHBondContact CD1-O 3.23Å; F192-A205 HydrophobicContact CD2-CB 4.36Å; F192-A205 HydrophobicContact CE1-CB 4.06Å; F192-A205 WeakPolarHBondContact CE1-O 3.32Å; F192-A205 HydrophobicContact CE2-CB 3.96Å; F192-A205 HydrophobicContact CZ-CB 3.8Å; F192-A205 PolarHBondContact N-O 3.29Å; F192-A205 VanDerWaalsContact N-O 3.08Å; F192-A205 PolarHBondContact O-N 3.18Å; F192-L207 HydrophobicContact CE1-CB 3.82Å; F192-L207 HydrophobicContact CZ-CB 4.13Å; F192-L228 HydrophobicContact CE2-CD1 3.8Å; F192-L228 HydrophobicContact CZ-CD1 4.06Å; F192-L237 HydrophobicContact CB-CD2 3.7Å; F192-L237 HydrophobicContact CD1-CD2 4.35Å; F192-L237 HydrophobicContact CD2-CD1 4.36Å; F192-L237 HydrophobicContact CD2-CD2 3.67Å; F192-L237 HydrophobicContact CE2-CD1 4.27Å; F192-L237 HydrophobicContact CE2-CD2 4.37Å; F192-L237 HydrophobicContact CG-CD2 3.65Å; F192-L419 HydrophobicContact CZ-CD1 3.82Å
193	D	89.9	Confident	81.9	Confident	50 Å²	50	65.1 Å²	65.1	27%	0.267	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.2	174.5	-54.7	-42.8	0	0	0	109.3	V165 S166 L202 Q203 G204	V165-D193 WeakPolarHBondContact CA-O 3.38Å; S166-D193 PolarHBondContact N-O 3.33Å; S166-D193 PolarHBondContact O-N 3.31Å; S166-D193 PolarHBondContact OG-OD2 3.06Å; D193-L202 WeakPolarHBondContact CA-O 3.48Å; D193-Q203 VanDerWaalsContact OD1-CA 3.22Å; D193-Q203 WeakPolarHBondContact OD1-CA 3.47Å; D193-G204 PolarHBondContact OD1-N 3.09Å
194	I	88.4	Confident	83.7	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.7	173.1	-54.7	-171.4	0	0	0	108.4	V165 F192 L201 L202 T227 L228 L237	V165-I194 HydrophobicContact CG2-CG1 4.3Å; F192-I194 HydrophobicContact CD2-CD1 4.13Å; F192-I194 HydrophobicContact CD2-CG1 3.92Å; F192-I194 HydrophobicContact CE2-CD1 3.92Å; F192-I194 HydrophobicContact CE2-CG1 4.14Å; I194-L201 HydrophobicContact CG2-CD1 4.41Å; I194-L201 WeakPolarHBondContact O-CA 3.42Å; I194-L201 WeakPolarHBondContact O-CB 3.44Å; I194-L201 PolarHBondContact O-N 3.14Å; I194-L202 HydrophobicContact CB-CB 4.23Å; I194-L202 HydrophobicContact CD1-CD1 4.1Å; I194-L202 HydrophobicContact CG1-CB 4.45Å; I194-L202 HydrophobicContact CG1-CD1 4.38Å; I194-L202 PolarHBondContact N-O 2.85Å; I194-L202 PolarHBondContact O-N 3.01Å; I194-T227 HydrophobicContact CG2-CG2 3.97Å; I194-L228 HydrophobicContact CD1-CB 4.39Å; I194-L228 HydrophobicContact CD1-CD1 3.61Å; I194-L237 HydrophobicContact CD1-CD1 4.48Å
195	A	85.6	Confident	85.2	Confident	23 Å²	23	55.9 Å²	55.9	19%	0.19	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.7	174.7	0	0	0	0	0	110.8	A163 T164 R199	A163-A195 CarbonylContact C-O 3.59Å; A163-A195 VanDerWaalsContact CA-O 3.23Å; A163-A195 WeakPolarHBondContact CA-O 3.31Å; T164-A195 PolarHBondContact N-O 3.39Å; T164-A195 PolarHBondContact O-N 3.23Å; A195-R199 CarbonylContact C-O 3.58Å; A195-R199 WeakPolarHBondContact CA-O 3.36Å
196	Y	80	Confident	86.1	Confident	84 Å²	84	58.3 Å²	58.3	33%	0.329	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	110.4	172.2	-171.6	-90.6	0	0	0	108.8	E161 A163 S198 R199	E161-Y196 VanDerWaalsContact CB-OH 3.31Å; E161-Y196 WeakPolarHBondContact CB-OH 3.49Å; A163-Y196 HydrophobicContact CB-CD2 4.12Å; Y196-S198 PolarHBondContact O-N 2.82Å; Y196-R199 PolarHBondContact N-O 3.4Å; Y196-R199 PolarHBondContact O-N 3.37Å
197	G	77.5	Confident	86.4	Confident	62 Å²	62	55.5 Å²	55.5	64%	0.639	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-123.5	-167.6	0	0	0	0	0	111.2
198	S	73	Confident	86.6	Confident	129 Å²	129	58.8 Å²	58.8	90%	0.902	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-10.8	176.7	59.2	0	0	0	0	114.3	Y196	Y196-S198 PolarHBondContact O-N 2.82Å
199	R	79.4	Confident	86.7	Confident	139 Å²	139	50.6 Å²	50.6	53%	0.525	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.1	-172.8	-172.3	177	177.7	-177.6	-3	111.1	A195 Y196 L201 G222	A195-R199 CarbonylContact C-O 3.58Å; A195-R199 WeakPolarHBondContact CA-O 3.36Å; Y196-R199 PolarHBondContact N-O 3.4Å; Y196-R199 PolarHBondContact O-N 3.37Å; R199-L201 HydrophobicContact CG-CD2 4.26Å; R199-L201 PolarHBondContact O-N 3.38Å; R199-G222 PolarHBondContact NH2-O 3.07Å; R199-G222 VanDerWaalsContact NH2-O 3.08Å
200	V	86	Confident	86.9	Confident	57 Å²	57	52.6 Å²	52.6	35%	0.345	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118.9	171	-177.1	0	0	0	0	109.5	L202 Q203 K417	V200-L202 WeakPolarHBondContact CG1-O 3.42Å; V200-Q203 HydrophobicContact CG1-CB 4.19Å; V200-K417 HydrophobicContact CB-CD 4.41Å; V200-K417 HydrophobicContact CG1-CD 4.16Å; V200-K417 WeakPolarHBondContact O-CE 3.38Å
201	L	86.6	Confident	87.1	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.063	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-42.4	-179.1	-61	176.4	0	0	0	111.8	I194 R199 T227 K417	I194-L201 HydrophobicContact CG2-CD1 4.41Å; I194-L201 WeakPolarHBondContact O-CA 3.42Å; I194-L201 WeakPolarHBondContact O-CB 3.44Å; I194-L201 PolarHBondContact O-N 3.14Å; R199-L201 HydrophobicContact CG-CD2 4.26Å; R199-L201 PolarHBondContact O-N 3.38Å; L201-T227 HydrophobicContact CD1-CG2 3.8Å; L201-K417 VanDerWaalsContact O-CA 3.26Å; L201-K417 WeakPolarHBondContact O-CA 3.48Å
202	L	89.6	Confident	87.1	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.5	176.1	-71.6	175.3	0	0	0	110.3	F192 D193 I194 V200 A205 L228 L414 K417 L419	F192-L202 HydrophobicContact CE2-CD1 3.86Å; F192-L202 HydrophobicContact CZ-CD1 4.48Å; D193-L202 WeakPolarHBondContact CA-O 3.48Å; I194-L202 HydrophobicContact CB-CB 4.23Å; I194-L202 HydrophobicContact CD1-CD1 4.1Å; I194-L202 HydrophobicContact CG1-CB 4.45Å; I194-L202 HydrophobicContact CG1-CD1 4.38Å; I194-L202 PolarHBondContact N-O 2.85Å; I194-L202 PolarHBondContact O-N 3.01Å; V200-L202 WeakPolarHBondContact CG1-O 3.42Å; L202-A205 HydrophobicContact CB-CB 4.17Å; L202-A205 HydrophobicContact CD1-CB 4.34Å; L202-A205 HydrophobicContact CD2-CB 4.36Å; L202-L228 HydrophobicContact CD1-CD1 4.07Å; L202-L228 HydrophobicContact CD1-CD2 4.33Å; L202-L414 HydrophobicContact CD2-CD1 4.39Å; L202-L414 HydrophobicContact CD2-CD2 4.32Å; L202-L414 HydrophobicContact CD2-CG 4.09Å; L202-K417 CarbonylContact C-O 3.49Å; L202-K417 WeakPolarHBondContact CA-O 3.38Å; L202-L419 HydrophobicContact CD1-CD1 4.11Å; L202-L419 HydrophobicContact CD1-CD2 4.48Å; L202-L419 HydrophobicContact CD1-CG 4.27Å; L202-L419 HydrophobicContact CD2-CD2 4.13Å; L202-L419 HydrophobicContact CD2-CG 3.96Å
203	Q	88.8	Confident	87.3	Confident	119 Å²	119	53 Å²	53	56%	0.556	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	118.8	-179.7	-172.1	176.8	8.2	0	0	111.1	D193 V200 A205 K417	D193-Q203 VanDerWaalsContact OD1-CA 3.22Å; D193-Q203 WeakPolarHBondContact OD1-CA 3.47Å; V200-Q203 HydrophobicContact CG1-CB 4.19Å; Q203-A205 PolarHBondContact O-N 2.93Å; Q203-K417 HydrophobicContact CB-CB 4.23Å; Q203-K417 PolarHBondContact N-O 3.14Å
204	G	86.3	Confident	87.5	Confident	37 Å²	37	53 Å²	53	38%	0.381	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.9	37.2	-178.3	0	0	0	0	0	112.1	F192 D193	F192-G204 PolarHBondContact O-N 3.08Å; D193-G204 PolarHBondContact OD1-N 3.09Å
205	A	89.9	Confident	87.9	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	145.1	-176.2	0	0	0	0	0	110.7	N191 F192 L202 Q203 L419	N191-A205 PolarHBondContact N-O 2.89Å; N191-A205 VanDerWaalsContact N-O 3.15Å; F192-A205 HydrophobicContact CD1-CB 4.46Å; F192-A205 WeakPolarHBondContact CD1-O 3.23Å; F192-A205 HydrophobicContact CD2-CB 4.36Å; F192-A205 HydrophobicContact CE1-CB 4.06Å; F192-A205 WeakPolarHBondContact CE1-O 3.32Å; F192-A205 HydrophobicContact CE2-CB 3.96Å; F192-A205 HydrophobicContact CZ-CB 3.8Å; F192-A205 PolarHBondContact N-O 3.29Å; F192-A205 VanDerWaalsContact N-O 3.08Å; F192-A205 PolarHBondContact O-N 3.18Å; L202-A205 HydrophobicContact CB-CB 4.17Å; L202-A205 HydrophobicContact CD1-CB 4.34Å; L202-A205 HydrophobicContact CD2-CB 4.36Å; Q203-A205 PolarHBondContact O-N 2.93Å; A205-L419 HydrophobicContact CB-CD1 4.09Å; A205-L419 HydrophobicContact CB-CG 4.22Å
206	N	90.9	Very high	88.3	Confident	86 Å²	86	52.3 Å²	52.3	46%	0.46	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.9	174.2	-62.1	-41.8	0	0	0	108.4	L189 E190 N191	L189-N206 CarbonylContact O-C 3.47Å; L189-N206 WeakPolarHBondContact O-CA 3.35Å; E190-N206 WeakPolarHBondContact CA-OD1 3.49Å; N191-N206 PolarHBondContact N-OD1 3.03Å
207	L	92.2	Very high	89	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	117.6	-179.5	179.9	61.8	0	0	0	109.4	L189 F192 L209 L232 I412 L419	L189-L207 HydrophobicContact CB-CB 4.29Å; L189-L207 HydrophobicContact CD1-CD2 4.28Å; L189-L207 PolarHBondContact N-O 3.1Å; L189-L207 PolarHBondContact O-N 3.4Å; F192-L207 HydrophobicContact CE1-CB 3.82Å; F192-L207 HydrophobicContact CZ-CB 4.13Å; L207-L209 HydrophobicContact CD1-CD2 3.86Å; L207-L209 HydrophobicContact CD1-CG 4.32Å; L207-L209 HydrophobicContact CD2-CD1 4.43Å; L207-L209 HydrophobicContact CG-CD2 4.26Å; L207-L209 HydrophobicContact CG-CG 4.18Å; L207-L232 HydrophobicContact CD2-CD1 4.26Å; L207-I412 HydrophobicContact CD1-CD1 3.54Å; L207-L419 HydrophobicContact CB-CD1 4.43Å
208	S	92.2	Very high	89.6	Confident	68 Å²	68	45.7 Å²	45.7	48%	0.476	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.9	172.8	75	0	0	0	0	110.5	I187 Y215	I187-S208 CarbonylContact O-C 3.56Å; I187-S208 WeakPolarHBondContact O-CA 3.23Å; S208-Y215 PolarHBondContact O-OH 2.88Å
209	L	92.6	Very high	90.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120	176.5	-50.4	172.1	0	0	0	109.2	D186 I187 L207 Y215 L365 I393 I412	D186-L209 CarbonylContact C-O 3.58Å; D186-L209 WeakPolarHBondContact CA-O 3.32Å; I187-L209 HydrophobicContact CB-CB 4.19Å; I187-L209 HydrophobicContact CD1-CD1 4.47Å; I187-L209 PolarHBondContact N-O 2.99Å; I187-L209 PolarHBondContact O-N 3.45Å; L207-L209 HydrophobicContact CD1-CD2 3.86Å; L207-L209 HydrophobicContact CD1-CG 4.32Å; L207-L209 HydrophobicContact CD2-CD1 4.43Å; L207-L209 HydrophobicContact CG-CD2 4.26Å; L207-L209 HydrophobicContact CG-CG 4.18Å; L209-Y215 HydrophobicContact CB-CD2 4.46Å; L209-Y215 HydrophobicContact CB-CE2 3.95Å; L209-Y215 HydrophobicContact CD2-CD1 4.19Å; L209-Y215 HydrophobicContact CD2-CD2 3.56Å; L209-Y215 HydrophobicContact CD2-CE1 4.34Å; L209-Y215 HydrophobicContact CD2-CE2 3.75Å; L209-Y215 HydrophobicContact CD2-CG 3.79Å; L209-L365 HydrophobicContact CD1-CD1 4Å; L209-L365 HydrophobicContact CD1-CD2 4.48Å; L209-I393 HydrophobicContact CB-CG2 3.86Å; L209-I393 HydrophobicContact CD1-CG2 4.36Å; L209-I412 HydrophobicContact CD2-CD1 4.08Å
210	T	92.2	Very high	90.3	Very high	44 Å²	44	36.9 Å²	36.9	27%	0.27	20%	0.202	S	C	.	.			trans	-96.4	142.7	-179.8	-59.2	0	0	0	0	110.2	D186 G212 K213 Y215	D186-T210 VanDerWaalsContact OD1-CA 3.25Å; D186-T210 WeakPolarHBondContact OD1-CA 3.46Å; D186-T210 VanDerWaalsContact OD1-CG2 3.28Å; D186-T210 WeakPolarHBondContact OD1-CG2 3.41Å; T210-G212 PolarHBondContact O-N 3.29Å; T210-K213 HydrophobicContact CG2-CD 4.37Å; T210-K213 HydrophobicContact CG2-CG 4.35Å; T210-K213 WeakPolarHBondContact O-CB 3.49Å; T210-K213 PolarHBondContact O-N 3.08Å; T210-Y215 PolarHBondContact N-OH 3.22Å
211	Y	90.4	Very high	90	Very high	98 Å²	98	36.4 Å²	36.4	38%	0.384	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	136.6	177.3	-168.1	-95.9	0	0	0	112.1	V184 D186 K213 S391 I393	V184-Y211 HydrophobicContact CG1-CD2 4.25Å; V184-Y211 HydrophobicContact CG1-CE2 4.33Å; D186-Y211 PolarHBondContact OD1-N 3.47Å; D186-Y211 VanDerWaalsContact OD1-N 3.12Å; Y211-K213 VanDerWaalsContact C-N 3.28Å; Y211-K213 PolarHBondContact O-N 3.45Å; Y211-S391 WeakPolarHBondContact CE1-O 3.34Å; Y211-I393 HydrophobicContact CD2-CD1 4.39Å; Y211-I393 HydrophobicContact CD2-CG1 4.08Å
212	G	88.4	Confident	89.4	Confident	30 Å²	30	37.7 Å²	37.7	31%	0.309	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	1.1	-177.8	0	0	0	0	0	116	T210 S391	T210-G212 PolarHBondContact O-N 3.29Å; G212-S391 VanDerWaalsContact CA-O 3.28Å; G212-S391 WeakPolarHBondContact CA-O 3.45Å; G212-S391 PolarHBondContact N-O 3.42Å
213	K	93.3	Very high	89.1	Confident	58 Å²	58	39.8 Å²	39.8	25%	0.252	22%	0.223	S	C	.	.			trans	-93.5	153.3	173.9	-71.2	-162.5	159.6	-144.3	0	112.6	T210 Y211 Y215 L394 D410	T210-K213 HydrophobicContact CG2-CD 4.37Å; T210-K213 HydrophobicContact CG2-CG 4.35Å; T210-K213 WeakPolarHBondContact O-CB 3.49Å; T210-K213 PolarHBondContact O-N 3.08Å; Y211-K213 VanDerWaalsContact C-N 3.28Å; Y211-K213 PolarHBondContact O-N 3.45Å; K213-Y215 HydrophobicContact CB-CD2 4.23Å; K213-Y215 HydrophobicContact CB-CE2 3.48Å; K213-Y215 VanDerWaalsContact CB-CE2 3.48Å; K213-Y215 WeakPolarHBondContact CD-OH 3.49Å; K213-L394 PolarHBondContact O-N 3.45Å; K213-D410 WeakPolarHBondContact CD-OD2 3.42Å; K213-D410 VanDerWaalsContact NZ-CG 3.27Å; K213-D410 IonicContact NZ-OD1 3.62Å; K213-D410 PolarHBondContact NZ-OD1 2.86Å; K213-D410 IonicContact NZ-OD2 4Å; K213-D410 PolarHBondContact NZ-OD2 2.68Å
214	R	94.7	Very high	88.7	Confident	51 Å²	51	34.6 Å²	34.6	19%	0.192	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108	-179.1	-56.9	179.4	-70.1	-82.8	-2.3	109.2	L387 L394 V407 T409 D410	R214-L387 WeakPolarHBondContact CD-O 3.45Å; R214-L394 HydrophobicContact CB-CB 4.25Å; R214-L394 HydrophobicContact CB-CD1 4.47Å; R214-L394 HydrophobicContact CG-CB 4.14Å; R214-L394 HydrophobicContact CG-CD1 3.76Å; R214-L394 HydrophobicContact CG-CG 4.04Å; R214-V407 WeakPolarHBondContact CD-O 3.38Å; R214-V407 PolarHBondContact NE-O 2.78Å; R214-T409 HydrophobicContact CB-CG2 4.34Å; R214-T409 PolarHBondContact N-OG1 3.22Å; R214-T409 PolarHBondContact O-N 3.41Å; R214-T409 PolarHBondContact O-OG1 3.47Å; R214-T409 VanDerWaalsContact O-OG1 3.1Å; R214-D410 PolarHBondContact O-N 2.94Å
215	Y	95.7	Very high	88.8	Confident	10 Å²	10	33.5 Å²	33.5	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.2	-174.6	-64.4	-86.7	0	0	0	110.8	S208 L209 T210 K213 I393 L394 L395 I396 D410 I412	S208-Y215 PolarHBondContact O-OH 2.88Å; L209-Y215 HydrophobicContact CB-CD2 4.46Å; L209-Y215 HydrophobicContact CB-CE2 3.95Å; L209-Y215 HydrophobicContact CD2-CD1 4.19Å; L209-Y215 HydrophobicContact CD2-CD2 3.56Å; L209-Y215 HydrophobicContact CD2-CE1 4.34Å; L209-Y215 HydrophobicContact CD2-CE2 3.75Å; L209-Y215 HydrophobicContact CD2-CG 3.79Å; T210-Y215 PolarHBondContact N-OH 3.22Å; K213-Y215 HydrophobicContact CB-CD2 4.23Å; K213-Y215 HydrophobicContact CB-CE2 3.48Å; K213-Y215 VanDerWaalsContact CB-CE2 3.48Å; K213-Y215 WeakPolarHBondContact CD-OH 3.49Å; Y215-I393 HydrophobicContact CD2-CG2 4.4Å; Y215-I393 HydrophobicContact CE2-CG2 4.4Å; Y215-L394 PolarHBondContact N-O 2.9Å; Y215-L395 WeakPolarHBondContact O-CA 3.28Å; Y215-I396 PolarHBondContact O-N 3.11Å; Y215-D410 CarbonylContact C-O 3.49Å; Y215-D410 VanDerWaalsContact CA-O 3.3Å; Y215-D410 WeakPolarHBondContact CA-O 3.16Å; Y215-D410 HydrophobicContact CD1-CB 3.73Å; Y215-D410 HydrophobicContact CE1-CB 3.8Å; Y215-I412 HydrophobicContact CD1-CD1 3.75Å; Y215-I412 HydrophobicContact CD1-CG1 4.01Å; Y215-I412 HydrophobicContact CG-CD1 4.06Å
216	G	95.3	Very high	88.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.6	168.9	0	0	0	0	0	110.9	I396 D410 I411 I412	G216-I396 CarbonylContact C-O 3.58Å; G216-I396 WeakPolarHBondContact CA-O 3.34Å; G216-D410 PolarHBondContact N-O 2.92Å; G216-I411 CarbonylContact O-C 3.57Å; G216-I411 WeakPolarHBondContact O-CA 3.35Å; G216-I412 PolarHBondContact O-N 2.87Å
217	L	93.7	Very high	88.5	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.2	176.2	178.4	59.6	0	0	0	110.2	K225 L228 L395 I396 V397 I412 L414 L419	L217-K225 HydrophobicContact CD2-CB 4.23Å; L217-K225 HydrophobicContact CD2-CG 4.46Å; L217-K225 HydrophobicContact CG-CG 4.37Å; L217-L228 HydrophobicContact CD2-CD2 3.95Å; L217-L395 HydrophobicContact CB-CD1 4.09Å; L217-I396 PolarHBondContact N-O 3.43Å; L217-V397 HydrophobicContact CB-CG2 3.79Å; L217-V397 HydrophobicContact CD2-CG2 3.63Å; L217-V397 HydrophobicContact CG-CG2 3.91Å; L217-I412 WeakPolarHBondContact CA-O 3.45Å; L217-I412 HydrophobicContact CD1-CB 4.09Å; L217-I412 HydrophobicContact CD1-CG2 3.84Å; L217-I412 WeakPolarHBondContact CD1-O 3.48Å; L217-L414 HydrophobicContact CD1-CB 4.14Å; L217-L419 HydrophobicContact CD1-CD2 4.33Å
218	V	91	Very high	88.4	Confident	7 Å²	7	31.5 Å²	31.5	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.7	-177.4	-59.9	0	0	0	0	111.4	L404 I411 I412 H413 L414 Y426 F429	V218-L404 HydrophobicContact CG1-CD1 3.4Å; V218-L404 VanDerWaalsContact CG1-CD1 3.4Å; V218-I411 HydrophobicContact CB-CG2 4.44Å; V218-I411 HydrophobicContact CG1-CG2 4.19Å; V218-I411 HydrophobicContact CG2-CG2 3.41Å; V218-I411 VanDerWaalsContact CG2-CG2 3.41Å; V218-I412 PolarHBondContact N-O 3.14Å; V218-H413 HydrophobicContact CG2-CB 4.15Å; V218-H413 WeakPolarHBondContact O-CA 3.42Å; V218-L414 PolarHBondContact O-N 3.08Å; V218-Y426 HydrophobicContact CG1-CD2 4.12Å; V218-Y426 HydrophobicContact CG1-CE2 4.04Å; V218-F429 HydrophobicContact CG2-CD1 4.48Å; V218-F429 HydrophobicContact CG2-CE1 3.84Å; V218-F429 HydrophobicContact CG2-CZ 3.91Å
219	G	86.2	Confident	88.4	Confident	10 Å²	10	28.2 Å²	28.2	10%	0.103	15%	0.154	C	C	.	.			trans	165.8	162	179.5	0	0	0	0	0	111.7	K225 H399	G219-K225 WeakPolarHBondContact O-CE 3.27Å; G219-K225 PolarHBondContact O-NZ 3.39Å; G219-H399 PolarHBondContact O-CE1 3.18Å
220	R	81.5	Confident	88.2	Confident	72 Å²	72	32.2 Å²	32.2	27%	0.272	17%	0.169	S	C	.	.			trans	-67.5	156.1	-178	-64.4	179	66.5	-165.9	2.7	112.2	G222 F223	R220-G222 PolarHBondContact O-N 3.06Å; R220-F223 HydrophobicContact CB-CD2 3.94Å; R220-F223 HydrophobicContact CB-CE2 3.86Å; R220-F223 HydrophobicContact CB-CZ 4.38Å; R220-F223 HydrophobicContact CG-CE2 4.24Å; R220-F223 PolarHBondContact O-N 3.33Å
221	N	78.3	Confident	88	Confident	48 Å²	48	30.2 Å²	30.2	26%	0.257	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	136	178.3	-71.2	-15.1	0	0	0	111.4	H399 H656	N221-H399 PolarHBondContact OD1-NE2 3.37Å; N221-H656 PolarHBondContact ND2-O 3.15Å
222	G	74.7	Confident	87.9	Confident	39 Å²	39	25.6 Å²	25.6	40%	0.402	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	7.6	-179.3	0	0	0	0	0	115.8	R199 R220	R199-G222 PolarHBondContact NH2-O 3.07Å; R199-G222 VanDerWaalsContact NH2-O 3.08Å; R220-G222 PolarHBondContact O-N 3.06Å
223	F	82.1	Confident	87.9	Confident	46 Å²	46	26.1 Å²	26.1	20%	0.202	14%	0.14	C	C	.	.	S	Bend	trans	-86.5	-4.5	169.4	-70.2	-19.2	0	0	0	114.6	R220 L414	R220-F223 HydrophobicContact CB-CD2 3.94Å; R220-F223 HydrophobicContact CB-CE2 3.86Å; R220-F223 HydrophobicContact CB-CZ 4.38Å; R220-F223 HydrophobicContact CG-CE2 4.24Å; R220-F223 PolarHBondContact O-N 3.33Å; F223-L414 HydrophobicContact CB-CD2 3.38Å; F223-L414 HydrophobicContact CD2-CD2 4.15Å; F223-L414 HydrophobicContact CG-CD2 4.16Å
224	G	82.2	Confident	87.5	Confident	10 Å²	10	30.3 Å²	30.3	10%	0.103	16%	0.158	C	C	.	.	S	Bend	trans	103.5	22.6	170.8	0	0	0	0	0	116.5	T227 L228	G224-T227 WeakPolarHBondContact O-CB 3.44Å; G224-T227 PolarHBondContact O-N 3.09Å; G224-L228 WeakPolarHBondContact O-CB 3.38Å; G224-L228 PolarHBondContact O-N 3.33Å
225	K	88.1	Confident	86.9	Confident	13 Å²	13	30.2 Å²	30.2	6%	0.057	17%	0.173	C	C	.	.	H	α-helix	trans	-54	-57.7	176.5	-61.1	-179.1	-62.6	-178.7	0	112.1	L217 G219 T227 L228 L229 E370 V397 H399 L414	L217-K225 HydrophobicContact CD2-CB 4.23Å; L217-K225 HydrophobicContact CD2-CG 4.46Å; L217-K225 HydrophobicContact CG-CG 4.37Å; G219-K225 WeakPolarHBondContact O-CE 3.27Å; G219-K225 PolarHBondContact O-NZ 3.39Å; K225-T227 VanDerWaalsContact C-N 3.27Å; K225-T227 PolarHBondContact O-N 3.15Å; K225-L228 WeakPolarHBondContact O-CB 3.23Å; K225-L228 PolarHBondContact O-N 3.37Å; K225-L228 VanDerWaalsContact O-N 3.15Å; K225-L229 PolarHBondContact O-N 2.83Å; K225-E370 IonicContact NZ-OE1 3.32Å; K225-V397 HydrophobicContact CB-CG1 4.22Å; K225-V397 HydrophobicContact CB-CG2 4.15Å; K225-V397 HydrophobicContact CD-CG1 3.92Å; K225-H399 PolarHBondContact NZ-CE1 3.2Å; K225-H399 PolarHBondContact NZ-NE2 3.2Å; K225-L414 HydrophobicContact CG-CD1 4.12Å
226	T	86.2	Confident	86.3	Confident	37 Å²	37	33.6 Å²	33.6	23%	0.227	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-37.7	175.2	-48.4	0	0	0	0	112.1	L228 L229 R230 E249 D369	T226-L228 VanDerWaalsContact C-N 3.34Å; T226-L228 PolarHBondContact O-N 3.16Å; T226-L229 PolarHBondContact O-N 2.81Å; T226-R230 VanDerWaalsContact CG2-NH2 3.26Å; T226-R230 WeakPolarHBondContact O-CG 3.36Å; T226-R230 PolarHBondContact O-N 3.22Å; T226-E249 HydrophobicContact CG2-CG 4.3Å; T226-E249 WeakPolarHBondContact CG2-OE1 3.37Å; T226-D369 WeakPolarHBondContact CB-OD2 3.47Å; T226-D369 WeakPolarHBondContact CG2-OD2 3.46Å; T226-D369 PolarHBondContact OG1-OD2 3.4Å
227	T	87.4	Confident	85.7	Confident	18 Å²	18	33.7 Å²	33.7	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-39.2	177.3	-45.4	0	0	0	0	112	A163 I194 L201 G224 K225 S231	A163-T227 HydrophobicContact CB-CG2 3.47Å; A163-T227 VanDerWaalsContact CB-CG2 3.47Å; I194-T227 HydrophobicContact CG2-CG2 3.97Å; L201-T227 HydrophobicContact CD1-CG2 3.8Å; G224-T227 WeakPolarHBondContact O-CB 3.44Å; G224-T227 PolarHBondContact O-N 3.09Å; K225-T227 VanDerWaalsContact C-N 3.27Å; K225-T227 PolarHBondContact O-N 3.15Å; T227-S231 WeakPolarHBondContact O-CB 3.22Å; T227-S231 PolarHBondContact O-N 2.85Å; T227-S231 PolarHBondContact O-OG 2.91Å
228	L	90.3	Very high	85.1	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-47.2	173.7	175.7	63.6	0	0	0	110.7	F192 I194 L202 L217 G224 K225 T226 S231 L232 L237 L419	F192-L228 HydrophobicContact CE2-CD1 3.8Å; F192-L228 HydrophobicContact CZ-CD1 4.06Å; I194-L228 HydrophobicContact CD1-CB 4.39Å; I194-L228 HydrophobicContact CD1-CD1 3.61Å; L202-L228 HydrophobicContact CD1-CD1 4.07Å; L202-L228 HydrophobicContact CD1-CD2 4.33Å; L217-L228 HydrophobicContact CD2-CD2 3.95Å; G224-L228 WeakPolarHBondContact O-CB 3.38Å; G224-L228 PolarHBondContact O-N 3.33Å; K225-L228 WeakPolarHBondContact O-CB 3.23Å; K225-L228 PolarHBondContact O-N 3.37Å; K225-L228 VanDerWaalsContact O-N 3.15Å; T226-L228 VanDerWaalsContact C-N 3.34Å; T226-L228 PolarHBondContact O-N 3.16Å; L228-S231 PolarHBondContact O-N 3.4Å; L228-L232 HydrophobicContact CG-CD1 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 3.33Å; L228-L237 HydrophobicContact CD1-CD1 4.13Å; L228-L419 HydrophobicContact CD2-CD1 4.06Å; L228-L419 HydrophobicContact CD2-CD2 4.26Å
229	L	91.6	Very high	84.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-45.5	177.5	-64.2	-174.3	0	0	0	112.4	K225 T226 S231 L232 A233 H247 L367 D369 L395 V397	K225-L229 PolarHBondContact O-N 2.83Å; T226-L229 PolarHBondContact O-N 2.81Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 2.79Å; L229-L232 WeakPolarHBondContact O-CB 3.36Å; L229-L232 PolarHBondContact O-N 3.49Å; L229-A233 WeakPolarHBondContact O-CB 3.09Å; L229-A233 PolarHBondContact O-N 3.03Å; L229-H247 WeakPolarHBondContact CB-NE2 3.45Å; L229-L367 HydrophobicContact CD2-CB 4.26Å; L229-L367 HydrophobicContact CD2-CD1 4.44Å; L229-L367 HydrophobicContact CD2-CD2 4.14Å; L229-D369 HydrophobicContact CD1-CB 3.74Å; L229-L395 HydrophobicContact CD2-CD2 3.62Å; L229-L395 HydrophobicContact CD2-CG 4Å; L229-V397 HydrophobicContact CD1-CB 4.37Å; L229-V397 HydrophobicContact CD1-CG2 3.6Å; L229-V397 HydrophobicContact CD2-CG2 4.48Å; L229-V397 HydrophobicContact CG-CG2 4.14Å
230	R	89.1	Confident	84.6	Confident	84 Å²	84	43.4 Å²	43.4	32%	0.317	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-40.2	174.1	-75.4	-174.3	-145.7	137.6	5.6	112.6	T226 L232 A233 K234 E249	T226-R230 VanDerWaalsContact CG2-NH2 3.26Å; T226-R230 WeakPolarHBondContact O-CG 3.36Å; T226-R230 PolarHBondContact O-N 3.22Å; R230-L232 VanDerWaalsContact C-N 3.32Å; R230-A233 PolarHBondContact O-N 3.01Å; R230-K234 WeakPolarHBondContact O-CB 3.46Å; R230-K234 VanDerWaalsContact O-CG 3.32Å; R230-K234 WeakPolarHBondContact O-CG 3.4Å; R230-K234 PolarHBondContact O-N 2.82Å; R230-E249 WeakPolarHBondContact CD-OE2 3.36Å; R230-E249 WeakPolarHBondContact CG-OE2 3.09Å; R230-E249 IonicContact CZ-OE1 3.18Å; R230-E249 IonicContact CZ-OE2 2.68Å; R230-E249 IonicContact NE-OE1 3.19Å; R230-E249 PolarHBondContact NE-OE1 3.26Å; R230-E249 IonicContact NE-OE2 3.92Å; R230-E249 PolarHBondContact NE-OE2 2.99Å; R230-E249 IonicContact NH2-OE1 3Å; R230-E249 PolarHBondContact NH2-OE1 2.98Å
231	S	87.8	Confident	84.5	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-36.8	179.7	-56.4	0	0	0	0	111.4	T227 L228 L229 G235 D236	T227-S231 WeakPolarHBondContact O-CB 3.22Å; T227-S231 PolarHBondContact O-N 2.85Å; T227-S231 PolarHBondContact O-OG 2.91Å; L228-S231 PolarHBondContact O-N 3.4Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 2.79Å; S231-G235 PolarHBondContact O-N 2.69Å; S231-D236 PolarHBondContact O-N 2.94Å; S231-D236 VanDerWaalsContact O-N 3.08Å
232	L	88.9	Confident	84.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-45.4	172.3	-70.9	168.3	0	0	0	111.6	L189 L207 L228 L229 R230 G235 L237 L239 L367 L395	L189-L232 HydrophobicContact CD1-CD2 3.65Å; L207-L232 HydrophobicContact CD2-CD1 4.26Å; L228-L232 HydrophobicContact CG-CD1 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 3.33Å; L229-L232 WeakPolarHBondContact O-CB 3.36Å; L229-L232 PolarHBondContact O-N 3.49Å; R230-L232 VanDerWaalsContact C-N 3.32Å; L232-G235 PolarHBondContact O-N 3.47Å; L232-L237 HydrophobicContact CD2-CB 4.23Å; L232-L237 HydrophobicContact CD2-CD1 3.58Å; L232-L237 HydrophobicContact CG-CD1 3.91Å; L232-L239 HydrophobicContact CD2-CD2 4.23Å; L232-L367 HydrophobicContact CB-CD1 3.78Å; L232-L367 HydrophobicContact CD1-CD2 4.48Å; L232-L395 HydrophobicContact CD1-CD2 3.86Å
233	A	87.6	Confident	84.9	Confident	41 Å²	41	43.8 Å²	43.8	34%	0.339	25%	0.251	S	S	.	.	H	α-helix	trans	-66.3	-37.8	-177.6	0	0	0	0	0	113.4	L229 R230 G235 H247 L367	L229-A233 WeakPolarHBondContact O-CB 3.09Å; L229-A233 PolarHBondContact O-N 3.03Å; R230-A233 PolarHBondContact O-N 3.01Å; A233-G235 VanDerWaalsContact C-N 3.26Å; A233-G235 PolarHBondContact O-N 3Å; A233-H247 HydrophobicContact CB-CB 3.49Å; A233-H247 VanDerWaalsContact CB-CB 3.49Å; A233-L367 HydrophobicContact CB-CD1 4.3Å
234	K	85.8	Confident	85.1	Confident	146 Å²	146	48 Å²	48	64%	0.635	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.4	178	-72	179	-179.8	-177.8	0	113.5	R230	R230-K234 WeakPolarHBondContact O-CB 3.46Å; R230-K234 VanDerWaalsContact O-CG 3.32Å; R230-K234 WeakPolarHBondContact O-CG 3.4Å; R230-K234 PolarHBondContact O-N 2.82Å
235	G	81.5	Confident	85.4	Confident	48 Å²	48	49.5 Å²	49.5	50%	0.495	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	20.3	-173.9	0	0	0	0	0	114	S231 L232 A233 L237	S231-G235 PolarHBondContact O-N 2.69Å; L232-G235 PolarHBondContact O-N 3.47Å; A233-G235 VanDerWaalsContact C-N 3.26Å; A233-G235 PolarHBondContact O-N 3Å; G235-L237 PolarHBondContact O-N 3.08Å
236	D	82.6	Confident	85.4	Confident	82 Å²	82	51.8 Å²	51.8	44%	0.439	29%	0.285	S	S	.	.			trans	-66	-28.7	174.6	-66.9	-32.2	0	0	0	111.1	V165 S231	V165-D236 HydrophobicContact CB-CB 4.19Å; V165-D236 HydrophobicContact CG2-CB 3.89Å; S231-D236 PolarHBondContact O-N 2.94Å; S231-D236 VanDerWaalsContact O-N 3.08Å
237	L	84.1	Confident	85.5	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	-92.7	133.1	169.3	-66.7	167.3	0	0	0	109.4	V165 L189 F192 I194 L228 L232 G235 L239	V165-L237 HydrophobicContact CG1-CD2 3.55Å; V165-L237 HydrophobicContact CG1-CG 4.14Å; L189-L237 HydrophobicContact CD1-CB 4.05Å; L189-L237 HydrophobicContact CD1-CD1 4.13Å; L189-L237 HydrophobicContact CD2-CB 4.39Å; F192-L237 HydrophobicContact CB-CD2 3.7Å; F192-L237 HydrophobicContact CD1-CD2 4.35Å; F192-L237 HydrophobicContact CD2-CD1 4.36Å; F192-L237 HydrophobicContact CD2-CD2 3.67Å; F192-L237 HydrophobicContact CE2-CD1 4.27Å; F192-L237 HydrophobicContact CE2-CD2 4.37Å; F192-L237 HydrophobicContact CG-CD2 3.65Å; I194-L237 HydrophobicContact CD1-CD1 4.48Å; L228-L237 HydrophobicContact CD1-CD1 4.13Å; L232-L237 HydrophobicContact CD2-CB 4.23Å; L232-L237 HydrophobicContact CD2-CD1 3.58Å; L232-L237 HydrophobicContact CG-CD1 3.91Å; G235-L237 PolarHBondContact O-N 3.08Å; L237-L239 PolarHBondContact O-N 2.85Å
238	R	80.1	Confident	85.4	Confident	150 Å²	150	51.7 Å²	51.7	57%	0.566	28%	0.282	S	S	*	.			trans	-71.2	99.4	-175.9	-65.3	178.9	-177.4	-157.8	-0.2	111.4	L189	L189-R238 WeakPolarHBondContact CD2-O 3.46Å
239	L	84.4	Confident	84.4	Confident	40 Å²	40	54.2 Å²	54.2	21%	0.209	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-87.9	156	172.9	-61.7	175.4	0	0	0	111.2	I187 L189 L232 L237 V245	I187-L239 HydrophobicContact CD1-CD2 4.42Å; I187-L239 HydrophobicContact CG2-CD2 3.5Å; I187-L239 VanDerWaalsContact CG2-CD2 3.5Å; L189-L239 HydrophobicContact CD1-CD2 4.23Å; L189-L239 HydrophobicContact CD2-CD2 4.37Å; L232-L239 HydrophobicContact CD2-CD2 4.23Å; L237-L239 PolarHBondContact O-N 2.85Å; L239-V245 HydrophobicContact CD1-CG2 3.48Å; L239-V245 VanDerWaalsContact CD1-CG2 3.48Å
240	P	82.7	Confident	83.2	Confident	32 Å²	32	61.5 Å²	61.5	21%	0.208	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-55.3	141.4	172.4	-23.5	33.2	0	0	0	111.6	F177 G242 V243	F177-P240 HydrophobicContact CE1-CB 4.36Å; P240-G242 PolarHBondContact O-N 3.15Å; P240-V243 HydrophobicContact CB-CG2 4.04Å; P240-V243 HydrophobicContact CG-CG2 4.38Å; P240-V243 WeakPolarHBondContact O-CG2 3.4Å; P240-V243 PolarHBondContact O-N 2.69Å
241	P	78.7	Confident	82.3	Confident	77 Å²	77	61.5 Å²	61.5	50%	0.5	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133.7	-179.3	26.1	-33.6	0	0	0	110.7	F177	F177-P241 HydrophobicContact CD1-CG 4.35Å
242	G	77.8	Confident	81.4	Confident	67 Å²	67	62.7 Å²	62.7	69%	0.691	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-8	177.1	0	0	0	0	0	115.9	P240 R244	P240-G242 PolarHBondContact O-N 3.15Å; G242-R244 PolarHBondContact O-N 3.37Å
243	V	84.6	Confident	80.8	Confident	24 Å²	24	68.7 Å²	68.7	15%	0.145	37%	0.374	C	S	.	.			trans	-68.4	117.8	175	178.6	0	0	0	0	110	I187 P240 V245 D364 L365	I187-V243 HydrophobicContact CD1-CG1 4.13Å; P240-V243 HydrophobicContact CB-CG2 4.04Å; P240-V243 HydrophobicContact CG-CG2 4.38Å; P240-V243 WeakPolarHBondContact O-CG2 3.4Å; P240-V243 PolarHBondContact O-N 2.69Å; V243-V245 HydrophobicContact CG1-CG2 4.06Å; V243-V245 PolarHBondContact O-N 3Å; V243-D364 HydrophobicContact CG1-CB 4.22Å; V243-L365 HydrophobicContact CG1-CB 4.2Å
244	R	85.9	Confident	80.2	Confident	135 Å²	135	67.9 Å²	67.9	51%	0.509	37%	0.371	S	S	.	.			trans	-82.5	111.2	173.3	-61.4	173.9	-62.3	153.7	11.8	109.4	G242 K362 P363 D364 L365	G242-R244 PolarHBondContact O-N 3.37Å; R244-K362 PolarHBondContact NH2-O 3.33Å; R244-P363 WeakPolarHBondContact O-CB 3.25Å; R244-D364 WeakPolarHBondContact CB-OD2 3.49Å; R244-D364 IonicContact CZ-OD1 2.69Å; R244-D364 PolarHBondContact N-OD2 3.2Å; R244-D364 IonicContact NE-OD1 2.89Å; R244-D364 IonicContact NE-OD2 2.8Å; R244-D364 PolarHBondContact NE-OD2 3.38Å; R244-D364 IonicContact NH2-OD1 2.82Å; R244-D364 PolarHBondContact NH2-OD1 3Å; R244-D364 IonicContact NH2-OD2 3.23Å; R244-D364 PolarHBondContact O-N 3.01Å; R244-L365 PolarHBondContact O-N 3.33Å; R244-L365 VanDerWaalsContact O-N 3.1Å
245	V	88.6	Confident	80.2	Confident	40 Å²	40	64 Å²	64	24%	0.242	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.8	177	-172.5	0	0	0	0	109.3	L239 V243 L365 L367	L239-V245 HydrophobicContact CD1-CG2 3.48Å; L239-V245 VanDerWaalsContact CD1-CG2 3.48Å; V243-V245 HydrophobicContact CG1-CG2 4.06Å; V243-V245 PolarHBondContact O-N 3Å; V245-L365 WeakPolarHBondContact CA-O 3.36Å; V245-L365 HydrophobicContact CG1-CD2 4.06Å; V245-L365 HydrophobicContact CG1-CG 4.29Å; V245-L365 HydrophobicContact CG2-CB 4.26Å; V245-L365 HydrophobicContact CG2-CD2 4.03Å; V245-L367 HydrophobicContact CG1-CD1 3.67Å; V245-L367 HydrophobicContact CG1-CG 4.01Å
246	L	88.8	Confident	80.6	Confident	62 Å²	62	66.1 Å²	66.1	33%	0.325	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.7	170.8	-169.2	63.8	0	0	0	109.9	A358 A361 P363 L365 L366 L367	L246-A358 HydrophobicContact CD2-CB 3.52Å; L246-A358 HydrophobicContact CG-CB 4.24Å; L246-A361 HydrophobicContact CD2-CB 4.06Å; L246-P363 HydrophobicContact CB-CB 3.74Å; L246-P363 HydrophobicContact CB-CG 3.74Å; L246-P363 HydrophobicContact CD2-CG 4.33Å; L246-L365 PolarHBondContact N-O 2.82Å; L246-L365 VanDerWaalsContact N-O 3.07Å; L246-L366 HydrophobicContact CB-CD1 4.5Å; L246-L367 PolarHBondContact O-N 2.83Å
247	H	88	Confident	80.9	Confident	39 Å²	39	63.3 Å²	63.3	18%	0.181	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.7	-177.9	179.9	-140.9	0	0	0	110.7	L229 A233 E249 L367	L229-H247 WeakPolarHBondContact CB-NE2 3.45Å; A233-H247 HydrophobicContact CB-CB 3.49Å; A233-H247 VanDerWaalsContact CB-CB 3.49Å; H247-E249 IonicContact CE1-OE2 3.74Å; H247-E249 PolarHBondContact CE1-OE2 2.88Å; H247-E249 VanDerWaalsContact CE1-OE2 3.32Å; H247-E249 IonicContact ND1-OE2 3.86Å; H247-L367 WeakPolarHBondContact CA-O 3.49Å; H247-L367 HydrophobicContact CB-CB 4.11Å; H247-L367 HydrophobicContact CB-CD1 4.28Å
248	V	83.8	Confident	81.3	Confident	14 Å²	14	65.2 Å²	65.2	9%	0.085	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	100.9	175.3	-173.5	0	0	0	0	108.2	M351 A354 A358 L367 L368 D369	V248-M351 HydrophobicContact CG1-SD 4.22Å; V248-A354 HydrophobicContact CG1-CB 4.04Å; V248-A358 HydrophobicContact CG2-CB 3.25Å; V248-L367 PolarHBondContact N-O 3.43Å; V248-L368 HydrophobicContact CB-CD2 4.09Å; V248-L368 HydrophobicContact CG2-CD2 3.91Å; V248-D369 PolarHBondContact O-N 3.35Å
249	E	71.1	Confident	81.8	Confident	54 Å²	54	58 Å²	58	25%	0.252	34%	0.335	S	S	.	.			trans	-118.5	-34.1	174.6	-176.4	-179.4	173.9	0	0	112.3	T226 R230 H247	T226-E249 HydrophobicContact CG2-CG 4.3Å; T226-E249 WeakPolarHBondContact CG2-OE1 3.37Å; R230-E249 WeakPolarHBondContact CD-OE2 3.36Å; R230-E249 WeakPolarHBondContact CG-OE2 3.09Å; R230-E249 IonicContact CZ-OE1 3.18Å; R230-E249 IonicContact CZ-OE2 2.68Å; R230-E249 IonicContact NE-OE1 3.19Å; R230-E249 PolarHBondContact NE-OE1 3.26Å; R230-E249 IonicContact NE-OE2 3.92Å; R230-E249 PolarHBondContact NE-OE2 2.99Å; R230-E249 IonicContact NH2-OE1 3Å; R230-E249 PolarHBondContact NH2-OE1 2.98Å; H247-E249 IonicContact CE1-OE2 3.74Å; H247-E249 PolarHBondContact CE1-OE2 2.88Å; H247-E249 VanDerWaalsContact CE1-OE2 3.32Å; H247-E249 IonicContact ND1-OE2 3.86Å
250	Q	64.9	Low	82.1	Confident	152 Å²	152	58.4 Å²	58.4	71%	0.71	34%	0.337	S	S	*	.	S	Bend	trans	-122.2	154.5	-167.4	-66.8	-173.1	-30.8	0	0	111.9
251	E	70.1	Confident	82.5	Confident	84 Å²	84	61.5 Å²	61.5	39%	0.393	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61.9	144.5	171.2	-57.3	179.6	174.8	0	0	110.8	V253 G347 R350 M351	E251-V253 PolarHBondContact O-N 3.22Å; E251-G347 VanDerWaalsContact CD-C 3.4Å; E251-G347 VanDerWaalsContact CD-O 3.29Å; E251-G347 WeakPolarHBondContact OE1-CA 3.47Å; E251-G347 WeakPolarHBondContact OE2-CA 3.44Å; E251-R350 HydrophobicContact CB-CB 4.06Å; E251-M351 HydrophobicContact CG-CB 4.25Å; E251-M351 HydrophobicContact CG-CE 4.07Å
252	V	69.3	Low	83	Confident	27 Å²	27	58.1 Å²	58.1	16%	0.164	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.8	137.4	170.5	-173.8	0	0	0	0	109.1	G254 R350 L353 A354	V252-G254 PolarHBondContact O-N 2.76Å; V252-R350 VanDerWaalsContact O-CD 3.26Å; V252-R350 WeakPolarHBondContact O-CD 3.32Å; V252-L353 HydrophobicContact CG2-CB 4.38Å; V252-L353 HydrophobicContact CG2-CD2 4.46Å; V252-L353 HydrophobicContact CG2-CG 4.35Å; V252-A354 HydrophobicContact CG2-CB 3.62Å
253	V	76.9	Confident	83.6	Confident	127 Å²	127	55 Å²	55	77%	0.77	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-62.5	123.8	172	-180	0	0	0	0	108.7	E251 D255	E251-V253 PolarHBondContact O-N 3.22Å; V253-D255 PolarHBondContact O-N 2.79Å
254	G	75.5	Confident	83.9	Confident	25 Å²	25	54.5 Å²	54.5	26%	0.258	29%	0.291	S	S	.	.			trans	-67.8	114.3	179.5	0	0	0	0	0	111.6	V252	V252-G254 PolarHBondContact O-N 2.76Å
255	D	85.3	Confident	83.9	Confident	64 Å²	64	51 Å²	51	34%	0.342	28%	0.28	S	S	.	.			trans	-121.3	-172.6	175.8	69	11.8	0	0	0	111.6	V253 T257 T342 K343	V253-D255 PolarHBondContact O-N 2.79Å; D255-T257 VanDerWaalsContact C-N 3.3Å; D255-T257 WeakPolarHBondContact OD1-CB 3.5Å; D255-T257 PolarHBondContact OD1-N 3Å; D255-T257 PolarHBondContact OD1-OG1 3.37Å; D255-T257 WeakPolarHBondContact OD2-CG2 3.4Å; D255-T257 PolarHBondContact OD2-OG1 2.59Å; D255-T342 PolarHBondContact N-OG1 3.07Å; D255-T342 PolarHBondContact O-N 2.95Å; D255-T342 PolarHBondContact O-OG1 3.1Å; D255-T342 VanDerWaalsContact O-OG1 3.09Å; D255-T342 PolarHBondContact OD1-OG1 3.19Å; D255-K343 VanDerWaalsContact O-CB 3.31Å; D255-K343 WeakPolarHBondContact O-CB 3.38Å; D255-K343 WeakPolarHBondContact O-CG 3.48Å; D255-K343 PolarHBondContact O-N 2.81Å
256	S	88.9	Confident	83.7	Confident	92 Å²	92	50.4 Å²	50.4	64%	0.643	28%	0.28	S	S	*	.	S	Bend	trans	-83.4	0.3	178	53.1	0	0	0	0	114.1
257	T	88.8	Confident	83.5	Confident	23 Å²	23	48.9 Å²	48.9	14%	0.141	27%	0.272	C	S	.	.	S	Bend	trans	-72.4	139.1	-178.2	66.3	0	0	0	0	110.3	D255 P341 T342	D255-T257 VanDerWaalsContact C-N 3.3Å; D255-T257 WeakPolarHBondContact OD1-CB 3.5Å; D255-T257 PolarHBondContact OD1-N 3Å; D255-T257 PolarHBondContact OD1-OG1 3.37Å; D255-T257 WeakPolarHBondContact OD2-CG2 3.4Å; D255-T257 PolarHBondContact OD2-OG1 2.59Å; T257-P341 CarbonylContact O-C 3.59Å; T257-P341 VanDerWaalsContact O-CA 3.25Å; T257-P341 WeakPolarHBondContact O-CA 3.47Å; T257-T342 VanDerWaalsContact O-CG2 3.31Å; T257-T342 WeakPolarHBondContact O-CG2 2.87Å; T257-T342 PolarHBondContact O-N 2.67Å
258	P	92.4	Very high	83.3	Confident	41 Å²	41	53.1 Å²	53.1	27%	0.266	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-61.4	145.8	170.9	-23.3	34	0	0	0	111.6	L260 E261 S262 K340	P258-L260 VanDerWaalsContact C-N 3.31Å; P258-L260 PolarHBondContact O-N 2.69Å; P258-E261 HydrophobicContact CB-CB 4.28Å; P258-E261 HydrophobicContact CG-CB 4.46Å; P258-E261 PolarHBondContact O-N 2.9Å; P258-S262 WeakPolarHBondContact O-CB 3.31Å; P258-S262 PolarHBondContact O-N 3.48Å; P258-K340 WeakPolarHBondContact CA-O 3.33Å
259	A	90.7	Very high	83.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.3	-43.6	-179.7	0	0	0	0	0	113.4	E261 S262 V263 F333 Q338 K340 F345 L353	A259-E261 VanDerWaalsContact C-N 3.34Å; A259-E261 PolarHBondContact O-N 3.39Å; A259-S262 WeakPolarHBondContact O-CB 3.44Å; A259-S262 PolarHBondContact O-N 3.09Å; A259-V263 PolarHBondContact O-N 2.79Å; A259-V263 VanDerWaalsContact O-N 3.15Å; A259-F333 HydrophobicContact CB-CE1 4.49Å; A259-Q338 PolarHBondContact N-O 3.43Å; A259-K340 PolarHBondContact N-O 3.13Å; A259-F345 HydrophobicContact CB-CE2 3.91Å; A259-F345 HydrophobicContact CB-CZ 4.33Å; A259-L353 HydrophobicContact CB-CD1 4.06Å
260	L	92	Very high	84.1	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-61.2	-43.4	177.2	-177.2	65.8	0	0	0	112.3	P258 V263 L264 A324 A325 L328 Q338	P258-L260 VanDerWaalsContact C-N 3.31Å; P258-L260 PolarHBondContact O-N 2.69Å; L260-V263 PolarHBondContact O-N 3.24Å; L260-L264 HydrophobicContact CG-CD1 4.28Å; L260-L264 WeakPolarHBondContact O-CG 3.26Å; L260-L264 PolarHBondContact O-N 3.29Å; L260-L264 VanDerWaalsContact O-N 3.12Å; L260-A324 HydrophobicContact CD1-CB 3.77Å; L260-A325 HydrophobicContact CD1-CB 4.1Å; L260-L328 HydrophobicContact CB-CD1 4.27Å; L260-L328 HydrophobicContact CD1-CD1 3.94Å; L260-Q338 HydrophobicContact CB-CB 4.37Å; L260-Q338 PolarHBondContact N-O 3.15Å
261	E	90.4	Very high	85.1	Confident	98 Å²	98	50.1 Å²	50.1	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-39	-179.5	-169.2	173	176.8	0	0	111.3	P258 A259 V263 L264 Q265	P258-E261 HydrophobicContact CB-CB 4.28Å; P258-E261 HydrophobicContact CG-CB 4.46Å; P258-E261 PolarHBondContact O-N 2.9Å; A259-E261 VanDerWaalsContact C-N 3.34Å; A259-E261 PolarHBondContact O-N 3.39Å; E261-V263 VanDerWaalsContact C-N 3.32Å; E261-V263 PolarHBondContact O-N 3.46Å; E261-L264 CarbonylContact O-C 3.53Å; E261-L264 WeakPolarHBondContact O-CB 3.39Å; E261-L264 PolarHBondContact O-N 2.98Å; E261-L264 VanDerWaalsContact O-N 3.09Å; E261-Q265 VanDerWaalsContact O-CG 3.31Å; E261-Q265 WeakPolarHBondContact O-CG 3.5Å; E261-Q265 PolarHBondContact O-N 3.39Å
262	S	89.3	Confident	86	Confident	6 Å²	6	49.5 Å²	49.5	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-41.5	174.9	-168.3	0	0	0	0	112.2	P258 A259 Q265 Q357	P258-S262 WeakPolarHBondContact O-CB 3.31Å; P258-S262 PolarHBondContact O-N 3.48Å; A259-S262 WeakPolarHBondContact O-CB 3.44Å; A259-S262 PolarHBondContact O-N 3.09Å; S262-Q265 PolarHBondContact O-N 2.88Å; S262-Q357 PolarHBondContact O-NE2 3.36Å; S262-Q357 PolarHBondContact OG-NE2 3.46Å
263	V	90.5	Very high	87	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-42.7	173.2	176.5	0	0	0	0	111.6	A259 L260 E261 Q265 A266 A324 L328 L353 A356 Q357 F360	A259-V263 PolarHBondContact O-N 2.79Å; A259-V263 VanDerWaalsContact O-N 3.15Å; L260-V263 PolarHBondContact O-N 3.24Å; E261-V263 VanDerWaalsContact C-N 3.32Å; E261-V263 PolarHBondContact O-N 3.46Å; V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 PolarHBondContact O-N 3.45Å; V263-A266 VanDerWaalsContact O-CB 3.26Å; V263-A266 WeakPolarHBondContact O-CB 3.39Å; V263-A266 PolarHBondContact O-N 3.16Å; V263-A266 VanDerWaalsContact O-N 3.15Å; V263-A324 HydrophobicContact CB-CB 4.37Å; V263-A324 HydrophobicContact CG1-CB 3.84Å; V263-L328 HydrophobicContact CB-CD1 4.48Å; V263-L328 HydrophobicContact CG2-CD1 3.93Å; V263-L328 HydrophobicContact CG2-CD2 3.83Å; V263-L328 HydrophobicContact CG2-CG 3.97Å; V263-L353 HydrophobicContact CG2-CD1 3.62Å; V263-A356 HydrophobicContact CG2-CB 3.81Å; V263-Q357 HydrophobicContact CG2-CG 4.24Å; V263-F360 HydrophobicContact CG1-CB 3.56Å; V263-F360 HydrophobicContact CG1-CD1 4Å; V263-F360 HydrophobicContact CG1-CD2 4.24Å; V263-F360 HydrophobicContact CG1-CG 3.66Å; V263-F360 VanDerWaalsContact O-CD1 3.29Å; V263-F360 WeakPolarHBondContact O-CD1 3.34Å
264	L	90.4	Very high	87.6	Confident	15 Å²	15	46 Å²	46	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-28.1	179.5	-75.7	174.3	0	0	0	113.2	L260 E261 A266 R270 A320 P321 A324 F360	L260-L264 HydrophobicContact CG-CD1 4.28Å; L260-L264 WeakPolarHBondContact O-CG 3.26Å; L260-L264 PolarHBondContact O-N 3.29Å; L260-L264 VanDerWaalsContact O-N 3.12Å; E261-L264 CarbonylContact O-C 3.53Å; E261-L264 WeakPolarHBondContact O-CB 3.39Å; E261-L264 PolarHBondContact O-N 2.98Å; E261-L264 VanDerWaalsContact O-N 3.09Å; L264-A266 VanDerWaalsContact C-N 3.3Å; L264-R270 VanDerWaalsContact C-NH2 3.32Å; L264-R270 PolarHBondContact O-NE 3.21Å; L264-R270 PolarHBondContact O-NH2 3.38Å; L264-A320 HydrophobicContact CD2-CB 3.86Å; L264-P321 HydrophobicContact CD1-CB 4.23Å; L264-P321 HydrophobicContact CD1-CG 4.22Å; L264-A324 HydrophobicContact CD2-CB 3.88Å; L264-A324 HydrophobicContact CG-CB 4.05Å; L264-F360 HydrophobicContact CD2-CE1 4.2Å; L264-F360 HydrophobicContact CD2-CE2 4.49Å; L264-F360 HydrophobicContact CD2-CZ 3.82Å
265	Q	86.2	Confident	88.3	Confident	61 Å²	61	49.3 Å²	49.3	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-72.7	-20.4	175	-73.6	173.3	4.2	0	0	112.9	E261 S262 V263 D267	E261-Q265 VanDerWaalsContact O-CG 3.31Å; E261-Q265 WeakPolarHBondContact O-CG 3.5Å; E261-Q265 PolarHBondContact O-N 3.39Å; S262-Q265 PolarHBondContact O-N 2.88Å; V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 PolarHBondContact O-N 3.45Å; Q265-D267 PolarHBondContact O-N 3.27Å
266	A	84.4	Confident	88.5	Confident	28 Å²	28	49.1 Å²	49.1	23%	0.231	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.4	176.5	0	0	0	0	0	113	V263 L264 I268 Q357 A361	V263-A266 VanDerWaalsContact O-CB 3.26Å; V263-A266 WeakPolarHBondContact O-CB 3.39Å; V263-A266 PolarHBondContact O-N 3.16Å; V263-A266 VanDerWaalsContact O-N 3.15Å; L264-A266 VanDerWaalsContact C-N 3.3Å; A266-I268 PolarHBondContact O-N 3.12Å; A266-I268 VanDerWaalsContact O-N 3.13Å; A266-Q357 HydrophobicContact CB-CB 3.74Å; A266-Q357 HydrophobicContact CB-CG 4Å; A266-A361 HydrophobicContact CB-CB 4.46Å
267	D	84.6	Confident	88.6	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.16	24%	0.237	C	C	.	.			trans	-80.2	88.9	168	-174.2	-12.9	0	0	0	109.7	Q265 E269 R270 H271 F360	Q265-D267 PolarHBondContact O-N 3.27Å; D267-E269 PolarHBondContact O-N 2.82Å; D267-E269 PolarHBondContact OD1-N 3.08Å; D267-R270 HydrophobicContact CB-CB 3.99Å; D267-R270 PolarHBondContact O-N 2.97Å; D267-R270 PolarHBondContact OD1-N 3.47Å; D267-R270 WeakPolarHBondContact OD2-CB 3.4Å; D267-H271 WeakPolarHBondContact O-CB 3.41Å; D267-H271 PolarHBondContact O-N 3.28Å; D267-F360 HydrophobicContact CB-CD1 4.39Å; D267-F360 HydrophobicContact CB-CE1 3.8Å
268	I	83	Confident	88.7	Confident	128 Å²	128	47 Å²	47	66%	0.656	25%	0.252	S	S	*	.	H	α-helix	trans	-57.2	-39.1	-177.7	-57.9	171.8	0	0	0	110.8	A266 H271 T272	A266-I268 PolarHBondContact O-N 3.12Å; A266-I268 VanDerWaalsContact O-N 3.13Å; I268-H271 PolarHBondContact O-N 3.49Å; I268-T272 HydrophobicContact CG2-CG2 4.11Å; I268-T272 WeakPolarHBondContact O-CB 3.48Å; I268-T272 VanDerWaalsContact O-CG2 3.22Å; I268-T272 WeakPolarHBondContact O-CG2 3.38Å; I268-T272 PolarHBondContact O-N 2.88Å; I268-T272 PolarHBondContact O-OG1 3.02Å
269	E	84.5	Confident	88.6	Confident	71 Å²	71	53 Å²	53	33%	0.332	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-51.2	-178.7	-175.8	174.1	-170.2	0	0	110.7	D267 H271 T272 L273 R311 I315	D267-E269 PolarHBondContact O-N 2.82Å; D267-E269 PolarHBondContact OD1-N 3.08Å; E269-H271 VanDerWaalsContact C-N 3.3Å; E269-H271 PolarHBondContact O-N 2.99Å; E269-T272 PolarHBondContact O-N 3.31Å; E269-T272 PolarHBondContact O-OG1 3.09Å; E269-L273 HydrophobicContact CG-CD1 4.01Å; E269-L273 WeakPolarHBondContact O-CB 3.48Å; E269-L273 VanDerWaalsContact O-CG 3.23Å; E269-L273 WeakPolarHBondContact O-CG 3.34Å; E269-L273 PolarHBondContact O-N 2.98Å; E269-R311 IonicContact OE1-CZ 3.51Å; E269-R311 IonicContact OE1-NE 3.47Å; E269-R311 PolarHBondContact OE1-NE 3.43Å; E269-R311 IonicContact OE1-NH2 3.42Å; E269-R311 PolarHBondContact OE1-NH2 3.46Å; E269-R311 IonicContact OE2-NH2 3.68Å; E269-R311 PolarHBondContact OE2-NH2 2.9Å; E269-I315 HydrophobicContact CG-CD1 3.7Å; E269-I315 WeakPolarHBondContact OE1-CD1 3.44Å
270	R	87.1	Confident	88.5	Confident	23 Å²	23	53.9 Å²	53.9	9%	0.087	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-43.4	176	-172	-163.4	74.7	80.6	17.8	111.6	L264 D267 L274 A317	L264-R270 VanDerWaalsContact C-NH2 3.32Å; L264-R270 PolarHBondContact O-NE 3.21Å; L264-R270 PolarHBondContact O-NH2 3.38Å; D267-R270 HydrophobicContact CB-CB 3.99Å; D267-R270 PolarHBondContact O-N 2.97Å; D267-R270 PolarHBondContact OD1-N 3.47Å; D267-R270 WeakPolarHBondContact OD2-CB 3.4Å; R270-L274 HydrophobicContact CG-CD1 4.2Å; R270-L274 WeakPolarHBondContact O-CB 3.49Å; R270-L274 VanDerWaalsContact O-CG 3.31Å; R270-L274 WeakPolarHBondContact O-CG 3.31Å; R270-L274 PolarHBondContact O-N 2.79Å; R270-L274 VanDerWaalsContact O-N 3.09Å; R270-A317 HydrophobicContact CG-CB 4.05Å
271	H	86.9	Confident	88.3	Confident	63 Å²	63	54.9 Å²	54.9	29%	0.292	28%	0.277	S	S	.	.	H	α-helix	trans	-66.1	-46.4	-177.9	-174.3	62.7	0	0	0	112.3	D267 I268 E269 L274 I275	D267-H271 WeakPolarHBondContact O-CB 3.41Å; D267-H271 PolarHBondContact O-N 3.28Å; I268-H271 PolarHBondContact O-N 3.49Å; E269-H271 VanDerWaalsContact C-N 3.3Å; E269-H271 PolarHBondContact O-N 2.99Å; H271-L274 PolarHBondContact O-N 2.9Å; H271-I275 VanDerWaalsContact NE2-CD1 3.27Å; H271-I275 WeakPolarHBondContact NE2-CD1 3.31Å; H271-I275 WeakPolarHBondContact O-CG1 3.49Å; H271-I275 PolarHBondContact O-N 3.14Å
272	T	89.4	Confident	88.1	Confident	70 Å²	70	52.8 Å²	52.8	43%	0.429	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-43.6	177.8	50	0	0	0	0	112	I268 E269 L274 I275 E276	I268-T272 HydrophobicContact CG2-CG2 4.11Å; I268-T272 WeakPolarHBondContact O-CB 3.48Å; I268-T272 VanDerWaalsContact O-CG2 3.22Å; I268-T272 WeakPolarHBondContact O-CG2 3.38Å; I268-T272 PolarHBondContact O-N 2.88Å; I268-T272 PolarHBondContact O-OG1 3.02Å; E269-T272 PolarHBondContact O-N 3.31Å; E269-T272 PolarHBondContact O-OG1 3.09Å; T272-L274 VanDerWaalsContact C-N 3.34Å; T272-L274 PolarHBondContact O-N 3.34Å; T272-I275 PolarHBondContact O-N 2.98Å; T272-E276 WeakPolarHBondContact O-CB 3.44Å; T272-E276 PolarHBondContact O-N 2.97Å
273	L	89.8	Confident	87.9	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-39.7	176.3	-71	171.9	0	0	0	112.7	E269 E276 L277 I308 R311 L312 I315	E269-L273 HydrophobicContact CG-CD1 4.01Å; E269-L273 WeakPolarHBondContact O-CB 3.48Å; E269-L273 VanDerWaalsContact O-CG 3.23Å; E269-L273 WeakPolarHBondContact O-CG 3.34Å; E269-L273 PolarHBondContact O-N 2.98Å; L273-E276 PolarHBondContact O-N 2.92Å; L273-L277 VanDerWaalsContact O-CB 3.22Å; L273-L277 WeakPolarHBondContact O-CB 3.3Å; L273-L277 PolarHBondContact O-N 2.92Å; L273-I308 HydrophobicContact CB-CG2 4.12Å; L273-I308 HydrophobicContact CD2-CG1 4.14Å; L273-I308 HydrophobicContact CD2-CG2 4.14Å; L273-R311 HydrophobicContact CD1-CB 4.1Å; L273-R311 HydrophobicContact CD1-CG 3.57Å; L273-L312 HydrophobicContact CB-CD2 3.84Å; L273-L312 HydrophobicContact CB-CG 4.26Å; L273-L312 HydrophobicContact CD1-CD2 4.15Å; L273-L312 HydrophobicContact CD1-CG 4.44Å; L273-I315 HydrophobicContact CD1-CD1 3.94Å
274	L	89.6	Confident	87.4	Confident	64 Å²	64	59.7 Å²	59.7	34%	0.335	31%	0.309	S	S	.	.	H	α-helix	trans	-70.5	-38.1	177.9	-73.7	173.5	0	0	0	112.7	R270 H271 T272 L277 A278 L312	R270-L274 HydrophobicContact CG-CD1 4.2Å; R270-L274 WeakPolarHBondContact O-CB 3.49Å; R270-L274 VanDerWaalsContact O-CG 3.31Å; R270-L274 WeakPolarHBondContact O-CG 3.31Å; R270-L274 PolarHBondContact O-N 2.79Å; R270-L274 VanDerWaalsContact O-N 3.09Å; H271-L274 PolarHBondContact O-N 2.9Å; T272-L274 VanDerWaalsContact C-N 3.34Å; T272-L274 PolarHBondContact O-N 3.34Å; L274-L277 PolarHBondContact O-N 3.06Å; L274-A278 WeakPolarHBondContact O-CB 3.38Å; L274-A278 PolarHBondContact O-N 3.46Å; L274-L312 HydrophobicContact CD2-CD1 3.99Å; L274-L312 HydrophobicContact CD2-CD2 4.24Å; L274-L312 HydrophobicContact CG-CD2 4.22Å
275	I	90	Very high	86.9	Confident	95 Å²	95	67 Å²	67	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-46.2	173	-70.3	170.4	0	0	0	110.2	H271 T272 L277 A278 R279	H271-I275 VanDerWaalsContact NE2-CD1 3.27Å; H271-I275 WeakPolarHBondContact NE2-CD1 3.31Å; H271-I275 WeakPolarHBondContact O-CG1 3.49Å; H271-I275 PolarHBondContact O-N 3.14Å; T272-I275 PolarHBondContact O-N 2.98Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 2.71Å; I275-A278 PolarHBondContact O-N 3.32Å; I275-R279 PolarHBondContact O-N 3.29Å
276	E	90.1	Very high	86.5	Confident	60 Å²	60	68.9 Å²	68.9	28%	0.28	36%	0.356	S	S	.	.	H	α-helix	trans	-60.4	-44.8	177.9	-169.5	179.5	172.3	0	0	110.9	T272 L273 R279 L280 R304 I308	T272-E276 WeakPolarHBondContact O-CB 3.44Å; T272-E276 PolarHBondContact O-N 2.97Å; L273-E276 PolarHBondContact O-N 2.92Å; E276-R279 PolarHBondContact O-N 2.92Å; E276-L280 HydrophobicContact CG-CD1 4.11Å; E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 2.95Å; E276-R304 IonicContact OE1-CZ 3.32Å; E276-R304 IonicContact OE1-NE 2.75Å; E276-R304 PolarHBondContact OE1-NE 3.23Å; E276-R304 IonicContact OE1-NH2 2.99Å; E276-R304 PolarHBondContact OE1-NH2 2.85Å; E276-R304 IonicContact OE2-NH2 3.11Å; E276-R304 PolarHBondContact OE2-NH2 3.12Å; E276-R304 VanDerWaalsContact OE2-NH2 3.11Å; E276-I308 HydrophobicContact CB-CD1 4.16Å; E276-I308 HydrophobicContact CG-CD1 3.73Å
277	L	90.3	Very high	85.5	Confident	16 Å²	16	70.6 Å²	70.6	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-60.3	-46.3	175.8	-178.2	148.3	0	0	0	112.1	L273 L274 I275 R279 L280 Q281 I308 Y309 L312	L273-L277 VanDerWaalsContact O-CB 3.22Å; L273-L277 WeakPolarHBondContact O-CB 3.3Å; L273-L277 PolarHBondContact O-N 2.92Å; L274-L277 PolarHBondContact O-N 3.06Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 2.71Å; L277-R279 VanDerWaalsContact C-N 3.31Å; L277-R279 PolarHBondContact O-N 3.47Å; L277-L280 PolarHBondContact O-N 3.34Å; L277-Q281 VanDerWaalsContact CD2-CD 3.46Å; L277-Q281 HydrophobicContact CD2-CG 4.3Å; L277-Q281 WeakPolarHBondContact O-CB 3.49Å; L277-Q281 VanDerWaalsContact O-CG 3.26Å; L277-Q281 WeakPolarHBondContact O-CG 3.1Å; L277-Q281 PolarHBondContact O-N 2.98Å; L277-I308 HydrophobicContact CB-CG2 4.09Å; L277-I308 HydrophobicContact CD1-CG2 4.01Å; L277-Y309 HydrophobicContact CD1-CD1 4.2Å; L277-Y309 HydrophobicContact CD1-CE1 3.78Å; L277-Y309 HydrophobicContact CD1-CE2 4.19Å; L277-L312 HydrophobicContact CD1-CD1 3.79Å
278	A	90.1	Very high	84.3	Confident	55 Å²	55	74.1 Å²	74.1	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-39.4	178.4	0	0	0	0	0	111.9	L274 I275 A282	L274-A278 WeakPolarHBondContact O-CB 3.38Å; L274-A278 PolarHBondContact O-N 3.46Å; I275-A278 PolarHBondContact O-N 3.32Å; A278-A282 PolarHBondContact O-N 3.22Å; A278-A282 VanDerWaalsContact O-N 3.09Å
279	R	91.3	Very high	83	Confident	166 Å²	166	71 Å²	71	63%	0.626	39%	0.393	S	S	*	.	H	α-helix	trans	-64.5	-51.2	175.5	179.5	-175.8	169.1	176.1	-1.3	111.8	I275 E276 L277 Q281 A282 E283	I275-R279 PolarHBondContact O-N 3.29Å; E276-R279 PolarHBondContact O-N 2.92Å; L277-R279 VanDerWaalsContact C-N 3.31Å; L277-R279 PolarHBondContact O-N 3.47Å; R279-Q281 VanDerWaalsContact C-N 3.29Å; R279-Q281 PolarHBondContact O-N 3.24Å; R279-A282 WeakPolarHBondContact O-CB 3.46Å; R279-A282 PolarHBondContact O-N 3.47Å; R279-A282 VanDerWaalsContact O-N 3.09Å; R279-E283 IonicContact CZ-OE1 3.51Å; R279-E283 IonicContact NE-OE1 2.86Å; R279-E283 PolarHBondContact NE-OE1 3.41Å; R279-E283 IonicContact NH2-OE1 3.26Å; R279-E283 PolarHBondContact NH2-OE1 3.3Å; R279-E283 PolarHBondContact O-N 3.1Å
280	L	88.4	Confident	81.3	Confident	19 Å²	19	72.8 Å²	72.8	10%	0.099	41%	0.409	C	S	.	.	H	α-helix	trans	-63	-37.2	-179	-69.1	172.7	0	0	0	111.7	E276 L277 A282 E283 M284 I301 R304 V305 I308	E276-L280 HydrophobicContact CG-CD1 4.11Å; E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 2.95Å; L277-L280 PolarHBondContact O-N 3.34Å; L280-A282 VanDerWaalsContact C-N 3.34Å; L280-A282 PolarHBondContact O-N 3.47Å; L280-E283 PolarHBondContact O-N 3.05Å; L280-M284 WeakPolarHBondContact O-CB 3.41Å; L280-M284 PolarHBondContact O-N 2.88Å; L280-I301 HydrophobicContact CB-CG2 4.22Å; L280-I301 HydrophobicContact CD2-CG1 4.33Å; L280-I301 HydrophobicContact CD2-CG2 4.18Å; L280-R304 HydrophobicContact CD1-CB 4.2Å; L280-R304 HydrophobicContact CD1-CG 3.69Å; L280-V305 HydrophobicContact CB-CG2 3.75Å; L280-V305 HydrophobicContact CD1-CG2 3.94Å; L280-V305 HydrophobicContact CG-CG2 4.48Å; L280-I308 HydrophobicContact CD1-CD1 3.66Å
281	Q	87.1	Confident	79.7	Confident	69 Å²	69	77.7 Å²	77.7	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-65.4	-35.5	173.5	-74.7	-179.5	-15.5	0	0	112.8	L277 R279 K285 Y309	L277-Q281 VanDerWaalsContact CD2-CD 3.46Å; L277-Q281 HydrophobicContact CD2-CG 4.3Å; L277-Q281 WeakPolarHBondContact O-CB 3.49Å; L277-Q281 VanDerWaalsContact O-CG 3.26Å; L277-Q281 WeakPolarHBondContact O-CG 3.1Å; L277-Q281 PolarHBondContact O-N 2.98Å; R279-Q281 VanDerWaalsContact C-N 3.29Å; R279-Q281 PolarHBondContact O-N 3.24Å; Q281-K285 WeakPolarHBondContact O-CG 3.26Å; Q281-K285 PolarHBondContact O-N 3.42Å; Q281-K285 VanDerWaalsContact O-N 3.16Å; Q281-Y309 PolarHBondContact NE2-OH 2.85Å; Q281-Y309 VanDerWaalsContact NE2-OH 3.1Å
282	A	87.2	Confident	78.1	Confident	54 Å²	54	81.1 Å²	81.1	45%	0.446	47%	0.465	S	S	.	.	H	α-helix	trans	-67.8	-43.5	174.1	0	0	0	0	0	111.6	A278 R279 L280 M284 K285 T286	A278-A282 PolarHBondContact O-N 3.22Å; A278-A282 VanDerWaalsContact O-N 3.09Å; R279-A282 WeakPolarHBondContact O-CB 3.46Å; R279-A282 PolarHBondContact O-N 3.47Å; R279-A282 VanDerWaalsContact O-N 3.09Å; L280-A282 VanDerWaalsContact C-N 3.34Å; L280-A282 PolarHBondContact O-N 3.47Å; A282-M284 VanDerWaalsContact C-N 3.35Å; A282-M284 PolarHBondContact O-N 3.32Å; A282-K285 PolarHBondContact O-N 2.9Å; A282-T286 PolarHBondContact O-N 3.46Å; A282-T286 PolarHBondContact O-OG1 3.01Å
283	E	84.1	Confident	76.5	Confident	60 Å²	60	81 Å²	81	28%	0.28	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-38.4	175.8	-71.3	177.8	-170.6	0	0	111.8	R279 L280 T286 S287	R279-E283 IonicContact CZ-OE1 3.51Å; R279-E283 IonicContact NE-OE1 2.86Å; R279-E283 PolarHBondContact NE-OE1 3.41Å; R279-E283 IonicContact NH2-OE1 3.26Å; R279-E283 PolarHBondContact NH2-OE1 3.3Å; R279-E283 PolarHBondContact O-N 3.1Å; L280-E283 PolarHBondContact O-N 3.05Å; E283-T286 WeakPolarHBondContact CA-OG1 3.4Å; E283-T286 PolarHBondContact O-N 3.12Å; E283-T286 PolarHBondContact O-OG1 3.33Å; E283-S287 WeakPolarHBondContact O-CB 3.45Å; E283-S287 PolarHBondContact O-N 3.27Å; E283-S287 PolarHBondContact O-OG 2.74Å
284	M	79.8	Confident	74.8	Confident	91 Å²	91	85.1 Å²	85.1	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-39.9	175.9	-162.4	177.1	98.5	0	0	112.2	L280 A282 S288	L280-M284 WeakPolarHBondContact O-CB 3.41Å; L280-M284 PolarHBondContact O-N 2.88Å; A282-M284 VanDerWaalsContact C-N 3.35Å; A282-M284 PolarHBondContact O-N 3.32Å; M284-S288 PolarHBondContact O-N 3.04Å; M284-S288 PolarHBondContact O-OG 3.4Å
285	K	80.9	Confident	73.1	Confident	167 Å²	167	86 Å²	86	73%	0.726	51%	0.511	S	S	*	.	H	α-helix	trans	-66.7	-36.8	174.9	-73.9	175.5	-177.8	178.4	0	112.5	Q281 A282	Q281-K285 WeakPolarHBondContact O-CG 3.26Å; Q281-K285 PolarHBondContact O-N 3.42Å; Q281-K285 VanDerWaalsContact O-N 3.16Å; A282-K285 PolarHBondContact O-N 2.9Å
286	T	77.4	Confident	71.7	Confident	101 Å²	101	87.6 Å²	87.6	62%	0.62	52%	0.52	S	S	*	.	H	α-helix	trans	-74.7	-37.7	178.5	12.5	0	0	0	0	112.3	A282 E283 S288 G289	A282-T286 PolarHBondContact O-N 3.46Å; A282-T286 PolarHBondContact O-OG1 3.01Å; E283-T286 WeakPolarHBondContact CA-OG1 3.4Å; E283-T286 PolarHBondContact O-N 3.12Å; E283-T286 PolarHBondContact O-OG1 3.33Å; T286-S288 PolarHBondContact O-N 3.16Å; T286-G289 PolarHBondContact O-N 3.32Å
287	S	63.7	Low	70.4	Confident	65 Å²	65	86.9 Å²	86.9	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-72.8	-12.4	-178.7	-54.9	0	0	0	0	113.8	E283 G289	E283-S287 WeakPolarHBondContact O-CB 3.45Å; E283-S287 PolarHBondContact O-N 3.27Å; E283-S287 PolarHBondContact O-OG 2.74Å; S287-G289 PolarHBondContact O-N 2.86Å
288	S	59.4	Low	69.3	Low	104 Å²	104	88.2 Å²	88.2	73%	0.727	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-6	176.1	-59.6	0	0	0	0	113.6	M284 T286	M284-S288 PolarHBondContact O-N 3.04Å; M284-S288 PolarHBondContact O-OG 3.4Å; T286-S288 PolarHBondContact O-N 3.16Å
289	G	56.7	Low	68.6	Low	62 Å²	62	88.5 Å²	88.5	64%	0.639	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-11.3	-171.1	0	0	0	0	0	117.7	T286 S287	T286-G289 PolarHBondContact O-N 3.32Å; S287-G289 PolarHBondContact O-N 2.86Å
290	T	47.9	Very low	68.1	Low	109 Å²	109	85.1 Å²	85.1	67%	0.669	53%	0.532	S	S	*	.	S	Bend	trans	-157.2	130.5	-173.9	16.2	0	0	0	0	112.2
291	D	52.5	Low	67.8	Low	125 Å²	125	85.4 Å²	85.4	67%	0.668	53%	0.533	S	S	*	.			trans	71	110.1	167.8	-62.9	-20.2	0	0	0	120.1	G293	D291-G293 PolarHBondContact O-N 3.5Å
292	P	54.6	Low	67.6	Low	135 Å²	135	87.8 Å²	87.8	88%	0.877	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	2.5	172.9	-20.5	31.9	0	0	0	116.3
293	G	54.9	Low	67.6	Low	68 Å²	68	88.5 Å²	88.5	70%	0.701	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.8	-174.7	0	0	0	0	0	115.5	D291	D291-G293 PolarHBondContact O-N 3.5Å
294	L	53.7	Low	67.9	Low	102 Å²	102	90.2 Å²	90.2	53%	0.534	55%	0.55	S	S	.	.			trans	-105.5	28.4	-173.4	-97.4	86.2	0	0	0	114.4	N296 S297 A298	L294-N296 VanDerWaalsContact C-N 3.27Å; L294-N296 PolarHBondContact O-N 3.45Å; L294-S297 VanDerWaalsContact CB-OG 3.28Å; L294-S297 WeakPolarHBondContact CB-OG 3.47Å; L294-S297 WeakPolarHBondContact CD2-OG 3.06Å; L294-S297 WeakPolarHBondContact CG-OG 3.37Å; L294-S297 PolarHBondContact O-N 2.99Å; L294-S297 PolarHBondContact O-OG 2.83Å; L294-A298 PolarHBondContact O-N 3.37Å
295	S	54.7	Low	68.3	Low	83 Å²	83	86.7 Å²	86.7	58%	0.58	53%	0.534	S	S	*	.	H	α-helix	trans	-59	-32.3	-176.5	57.9	0	0	0	0	114.3	S299	S295-S299 PolarHBondContact O-N 2.82Å; S295-S299 PolarHBondContact O-OG 3.2Å
296	N	60	Low	68.7	Low	128 Å²	128	81.6 Å²	81.6	68%	0.684	52%	0.523	S	S	*	.	H	α-helix	trans	-74.8	-31.8	179	-70	-14.9	0	0	0	113.3	L294 S299 T300	L294-N296 VanDerWaalsContact C-N 3.27Å; L294-N296 PolarHBondContact O-N 3.45Å; N296-S299 PolarHBondContact O-OG 2.66Å; N296-S299 VanDerWaalsContact O-OG 3.09Å; N296-T300 PolarHBondContact O-N 2.93Å; N296-T300 PolarHBondContact O-OG1 3.45Å
297	S	62.7	Low	69.4	Low	45 Å²	45	81.7 Å²	81.7	32%	0.315	52%	0.516	S	S	.	.	H	α-helix	trans	-74	-38.4	176.9	31.7	0	0	0	0	111.8	L294 T300 I301	L294-S297 VanDerWaalsContact CB-OG 3.28Å; L294-S297 WeakPolarHBondContact CB-OG 3.47Å; L294-S297 WeakPolarHBondContact CD2-OG 3.06Å; L294-S297 WeakPolarHBondContact CG-OG 3.37Å; L294-S297 PolarHBondContact O-N 2.99Å; L294-S297 PolarHBondContact O-OG 2.83Å; S297-T300 PolarHBondContact O-N 3.17Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.47Å; S297-I301 PolarHBondContact O-N 2.9Å
298	A	68.7	Low	70.7	Confident	45 Å²	45	78.6 Å²	78.6	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-63	-45.9	178.2	0	0	0	0	0	111.9	L294 T300 I301 E302	L294-A298 PolarHBondContact O-N 3.37Å; A298-T300 VanDerWaalsContact C-N 3.33Å; A298-T300 PolarHBondContact O-N 2.76Å; A298-I301 PolarHBondContact O-N 3.15Å; A298-E302 WeakPolarHBondContact O-CG 3.34Å; A298-E302 PolarHBondContact O-N 3.33Å
299	S	74.2	Confident	72.1	Confident	61 Å²	61	78.6 Å²	78.6	43%	0.427	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-33.9	177.8	61.1	0	0	0	0	113.2	S295 N296 S303	S295-S299 PolarHBondContact O-N 2.82Å; S295-S299 PolarHBondContact O-OG 3.2Å; N296-S299 PolarHBondContact O-OG 2.66Å; N296-S299 VanDerWaalsContact O-OG 3.09Å; S299-S303 WeakPolarHBondContact O-CB 3.22Å; S299-S303 PolarHBondContact O-N 2.87Å
300	T	81.2	Confident	73.8	Confident	95 Å²	95	79.5 Å²	79.5	58%	0.583	48%	0.476	S	S	*	.	H	α-helix	trans	-67.4	-42.1	175.5	-54.7	0	0	0	0	111.3	N296 S297 A298 S303 R304	N296-T300 PolarHBondContact O-N 2.93Å; N296-T300 PolarHBondContact O-OG1 3.45Å; S297-T300 PolarHBondContact O-N 3.17Å; A298-T300 VanDerWaalsContact C-N 3.33Å; A298-T300 PolarHBondContact O-N 2.76Å; T300-S303 PolarHBondContact O-N 3.28Å; T300-R304 WeakPolarHBondContact O-CB 3.44Å; T300-R304 PolarHBondContact O-N 3.06Å
301	I	82	Confident	75.8	Confident	25 Å²	25	80 Å²	80	13%	0.128	47%	0.466	C	S	.	.	H	α-helix	trans	-63.2	-46.6	176	-68.8	165.7	0	0	0	110.3	L280 S297 A298 S303 R304 V305	L280-I301 HydrophobicContact CB-CG2 4.22Å; L280-I301 HydrophobicContact CD2-CG1 4.33Å; L280-I301 HydrophobicContact CD2-CG2 4.18Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.47Å; S297-I301 PolarHBondContact O-N 2.9Å; A298-I301 PolarHBondContact O-N 3.15Å; I301-S303 PolarHBondContact O-N 3.32Å; I301-R304 PolarHBondContact O-N 3.45Å; I301-V305 HydrophobicContact CG2-CG2 4.27Å; I301-V305 WeakPolarHBondContact O-CB 3.39Å; I301-V305 VanDerWaalsContact O-CG2 3.27Å; I301-V305 WeakPolarHBondContact O-CG2 3.37Å; I301-V305 PolarHBondContact O-N 3.25Å
302	E	83.5	Confident	77.5	Confident	119 Å²	119	74.7 Å²	74.7	56%	0.556	44%	0.437	S	S	*	.	H	α-helix	trans	-60.4	-43.9	178.2	-73.6	176.8	-176.3	0	0	112.4	A298 R304 V305 A306	A298-E302 WeakPolarHBondContact O-CG 3.34Å; A298-E302 PolarHBondContact O-N 3.33Å; E302-R304 VanDerWaalsContact C-N 3.34Å; E302-R304 PolarHBondContact O-N 3.49Å; E302-V305 PolarHBondContact O-N 3.2Å; E302-A306 PolarHBondContact O-N 3.04Å
303	S	88	Confident	79.1	Confident	68 Å²	68	73.7 Å²	73.7	48%	0.476	42%	0.424	S	S	.	.	H	α-helix	trans	-60.3	-44.7	175.2	-171.5	0	0	0	0	111.4	S299 T300 I301 A306 E307	S299-S303 WeakPolarHBondContact O-CB 3.22Å; S299-S303 PolarHBondContact O-N 2.87Å; T300-S303 PolarHBondContact O-N 3.28Å; I301-S303 PolarHBondContact O-N 3.32Å; S303-A306 PolarHBondContact O-N 3.43Å; S303-E307 WeakPolarHBondContact O-CG 3.28Å; S303-E307 PolarHBondContact O-N 2.91Å
304	R	88.9	Confident	80.8	Confident	96 Å²	96	74 Å²	74	36%	0.362	42%	0.42	S	S	.	.	H	α-helix	trans	-66.1	-40.5	179.3	-174.6	59.6	-179.6	163.4	5.2	112.2	E276 L280 T300 I301 E302 A306 E307 I308	E276-R304 IonicContact OE1-CZ 3.32Å; E276-R304 IonicContact OE1-NE 2.75Å; E276-R304 PolarHBondContact OE1-NE 3.23Å; E276-R304 IonicContact OE1-NH2 2.99Å; E276-R304 PolarHBondContact OE1-NH2 2.85Å; E276-R304 IonicContact OE2-NH2 3.11Å; E276-R304 PolarHBondContact OE2-NH2 3.12Å; E276-R304 VanDerWaalsContact OE2-NH2 3.11Å; L280-R304 HydrophobicContact CD1-CB 4.2Å; L280-R304 HydrophobicContact CD1-CG 3.69Å; T300-R304 WeakPolarHBondContact O-CB 3.44Å; T300-R304 PolarHBondContact O-N 3.06Å; I301-R304 PolarHBondContact O-N 3.45Å; E302-R304 VanDerWaalsContact C-N 3.34Å; E302-R304 PolarHBondContact O-N 3.49Å; R304-A306 VanDerWaalsContact C-N 3.33Å; R304-A306 PolarHBondContact O-N 3.03Å; R304-E307 IonicContact CZ-OE2 3.97Å; R304-E307 IonicContact NH1-OE2 2.96Å; R304-E307 PolarHBondContact NH1-OE2 3.49Å; R304-E307 WeakPolarHBondContact O-CB 3.45Å; R304-E307 PolarHBondContact O-N 2.86Å; R304-I308 HydrophobicContact CG-CD1 4.15Å; R304-I308 VanDerWaalsContact O-CG1 3.28Å; R304-I308 WeakPolarHBondContact O-CG1 3.25Å; R304-I308 PolarHBondContact O-N 2.93Å
305	V	89.3	Confident	82.2	Confident	18 Å²	18	70.6 Å²	70.6	11%	0.109	40%	0.402	C	S	.	.	H	α-helix	trans	-61.5	-42	174.6	169.3	0	0	0	0	110.8	L280 I301 E302 I308 Y309	L280-V305 HydrophobicContact CB-CG2 3.75Å; L280-V305 HydrophobicContact CD1-CG2 3.94Å; L280-V305 HydrophobicContact CG-CG2 4.48Å; I301-V305 HydrophobicContact CG2-CG2 4.27Å; I301-V305 WeakPolarHBondContact O-CB 3.39Å; I301-V305 VanDerWaalsContact O-CG2 3.27Å; I301-V305 WeakPolarHBondContact O-CG2 3.37Å; I301-V305 PolarHBondContact O-N 3.25Å; E302-V305 PolarHBondContact O-N 3.2Å; V305-I308 PolarHBondContact O-N 2.72Å; V305-Y309 HydrophobicContact CG1-CD2 3.63Å; V305-Y309 HydrophobicContact CG1-CE2 3.4Å; V305-Y309 VanDerWaalsContact CG1-CE2 3.4Å; V305-Y309 WeakPolarHBondContact O-CD2 3.48Å; V305-Y309 PolarHBondContact O-N 2.92Å
306	A	89.7	Confident	83.7	Confident	60 Å²	60	70.3 Å²	70.3	50%	0.496	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-41.4	176.1	0	0	0	0	0	112.8	E302 S303 R304 Y309 S310	E302-A306 PolarHBondContact O-N 3.04Å; S303-A306 PolarHBondContact O-N 3.43Å; R304-A306 VanDerWaalsContact C-N 3.33Å; R304-A306 PolarHBondContact O-N 3.03Å; A306-Y309 PolarHBondContact O-N 3.15Å; A306-S310 PolarHBondContact O-N 3.09Å
307	E	91.2	Very high	84.8	Confident	102 Å²	102	65 Å²	65	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-45.2	172.7	-73.2	176.1	-175.5	0	0	111.9	S303 R304 S310 R311	S303-E307 WeakPolarHBondContact O-CG 3.28Å; S303-E307 PolarHBondContact O-N 2.91Å; R304-E307 IonicContact CZ-OE2 3.97Å; R304-E307 IonicContact NH1-OE2 2.96Å; R304-E307 PolarHBondContact NH1-OE2 3.49Å; R304-E307 WeakPolarHBondContact O-CB 3.45Å; R304-E307 PolarHBondContact O-N 2.86Å; E307-S310 WeakPolarHBondContact O-CB 3.46Å; E307-S310 PolarHBondContact O-N 2.78Å; E307-R311 PolarHBondContact O-N 2.82Å
308	I	90.6	Very high	85.9	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-44.8	178.8	-66.9	164.3	0	0	0	110.7	L273 E276 L277 L280 R304 V305 S310 R311 L312	L273-I308 HydrophobicContact CB-CG2 4.12Å; L273-I308 HydrophobicContact CD2-CG1 4.14Å; L273-I308 HydrophobicContact CD2-CG2 4.14Å; E276-I308 HydrophobicContact CB-CD1 4.16Å; E276-I308 HydrophobicContact CG-CD1 3.73Å; L277-I308 HydrophobicContact CB-CG2 4.09Å; L277-I308 HydrophobicContact CD1-CG2 4.01Å; L280-I308 HydrophobicContact CD1-CD1 3.66Å; R304-I308 HydrophobicContact CG-CD1 4.15Å; R304-I308 VanDerWaalsContact O-CG1 3.28Å; R304-I308 WeakPolarHBondContact O-CG1 3.25Å; R304-I308 PolarHBondContact O-N 2.93Å; V305-I308 PolarHBondContact O-N 2.72Å; I308-S310 VanDerWaalsContact C-N 3.33Å; I308-S310 PolarHBondContact O-N 3.04Å; I308-R311 PolarHBondContact O-N 3.5Å; I308-L312 HydrophobicContact CG2-CD1 3.79Å; I308-L312 HydrophobicContact CG2-CG 4.14Å; I308-L312 WeakPolarHBondContact O-CB 3.26Å; I308-L312 WeakPolarHBondContact O-CG 3.39Å; I308-L312 PolarHBondContact O-N 3.4Å
309	Y	90.3	Very high	86.8	Confident	103 Å²	103	71 Å²	71	40%	0.404	38%	0.382	S	S	.	.	H	α-helix	trans	-60.7	-41.4	175.3	-83	-62.7	0	0	0	112.4	L277 Q281 V305 A306 R311 L312 N313	L277-Y309 HydrophobicContact CD1-CD1 4.2Å; L277-Y309 HydrophobicContact CD1-CE1 3.78Å; L277-Y309 HydrophobicContact CD1-CE2 4.19Å; Q281-Y309 PolarHBondContact NE2-OH 2.85Å; Q281-Y309 VanDerWaalsContact NE2-OH 3.1Å; V305-Y309 HydrophobicContact CG1-CD2 3.63Å; V305-Y309 HydrophobicContact CG1-CE2 3.4Å; V305-Y309 VanDerWaalsContact CG1-CE2 3.4Å; V305-Y309 WeakPolarHBondContact O-CD2 3.48Å; V305-Y309 PolarHBondContact O-N 2.92Å; A306-Y309 PolarHBondContact O-N 3.15Å; Y309-R311 VanDerWaalsContact C-N 3.33Å; Y309-R311 PolarHBondContact O-N 3.41Å; Y309-L312 PolarHBondContact O-N 2.95Å; Y309-N313 WeakPolarHBondContact O-CB 3.5Å; Y309-N313 VanDerWaalsContact O-CG 3.28Å; Y309-N313 PolarHBondContact O-N 2.92Å; Y309-N313 PolarHBondContact O-ND2 3.36Å
310	S	90.7	Very high	87.5	Confident	81 Å²	81	68.1 Å²	68.1	57%	0.566	36%	0.362	S	S	*	.	H	α-helix	trans	-60.2	-43.8	174.6	-176.3	0	0	0	0	111.4	A306 E307 I308 N313 A314	A306-S310 PolarHBondContact O-N 3.09Å; E307-S310 WeakPolarHBondContact O-CB 3.46Å; E307-S310 PolarHBondContact O-N 2.78Å; I308-S310 VanDerWaalsContact C-N 3.33Å; I308-S310 PolarHBondContact O-N 3.04Å; S310-N313 PolarHBondContact O-N 3.23Å; S310-A314 WeakPolarHBondContact O-CB 3.43Å; S310-A314 PolarHBondContact O-N 3.49Å
311	R	89.8	Confident	87.9	Confident	121 Å²	121	66 Å²	66	46%	0.457	35%	0.35	S	S	.	.	H	α-helix	trans	-68.7	-41.9	178.6	-169.1	62.6	179.8	167.6	6.5	112.8	E269 L273 E307 I308 Y309 N313 A314 I315	E269-R311 IonicContact OE1-CZ 3.51Å; E269-R311 IonicContact OE1-NE 3.47Å; E269-R311 PolarHBondContact OE1-NE 3.43Å; E269-R311 IonicContact OE1-NH2 3.42Å; E269-R311 PolarHBondContact OE1-NH2 3.46Å; E269-R311 IonicContact OE2-NH2 3.68Å; E269-R311 PolarHBondContact OE2-NH2 2.9Å; L273-R311 HydrophobicContact CD1-CB 4.1Å; L273-R311 HydrophobicContact CD1-CG 3.57Å; E307-R311 PolarHBondContact O-N 2.82Å; I308-R311 PolarHBondContact O-N 3.5Å; Y309-R311 VanDerWaalsContact C-N 3.33Å; Y309-R311 PolarHBondContact O-N 3.41Å; R311-N313 VanDerWaalsContact C-N 3.33Å; R311-N313 PolarHBondContact O-N 3.15Å; R311-A314 WeakPolarHBondContact O-CB 3.4Å; R311-A314 PolarHBondContact O-N 2.96Å; R311-I315 HydrophobicContact CG-CD1 3.95Å; R311-I315 WeakPolarHBondContact O-CG1 3.31Å; R311-I315 PolarHBondContact O-N 3.38Å
312	L	89	Confident	88.4	Confident	12 Å²	12	68 Å²	68	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-39.7	175.7	-74.6	172.5	0	0	0	112	L273 L274 L277 I308 Y309 I315 E316 A317	L273-L312 HydrophobicContact CB-CD2 3.84Å; L273-L312 HydrophobicContact CB-CG 4.26Å; L273-L312 HydrophobicContact CD1-CD2 4.15Å; L273-L312 HydrophobicContact CD1-CG 4.44Å; L274-L312 HydrophobicContact CD2-CD1 3.99Å; L274-L312 HydrophobicContact CD2-CD2 4.24Å; L274-L312 HydrophobicContact CG-CD2 4.22Å; L277-L312 HydrophobicContact CD1-CD1 3.79Å; I308-L312 HydrophobicContact CG2-CD1 3.79Å; I308-L312 HydrophobicContact CG2-CG 4.14Å; I308-L312 WeakPolarHBondContact O-CB 3.26Å; I308-L312 WeakPolarHBondContact O-CG 3.39Å; I308-L312 PolarHBondContact O-N 3.4Å; Y309-L312 PolarHBondContact O-N 2.95Å; L312-I315 PolarHBondContact O-N 3.04Å; L312-E316 PolarHBondContact O-N 3.31Å; L312-A317 HydrophobicContact CB-CB 4.11Å; L312-A317 HydrophobicContact CD2-CB 3.73Å; L312-A317 WeakPolarHBondContact O-CB 3.31Å; L312-A317 PolarHBondContact O-N 3.47Å
313	N	89.3	Confident	88.6	Confident	115 Å²	115	66.5 Å²	66.5	62%	0.615	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-40.2	173.3	-73.5	-18.2	0	0	0	111.6	Y309 S310 R311 I315 E316	Y309-N313 WeakPolarHBondContact O-CB 3.5Å; Y309-N313 VanDerWaalsContact O-CG 3.28Å; Y309-N313 PolarHBondContact O-N 2.92Å; Y309-N313 PolarHBondContact O-ND2 3.36Å; S310-N313 PolarHBondContact O-N 3.23Å; R311-N313 VanDerWaalsContact C-N 3.33Å; R311-N313 PolarHBondContact O-N 3.15Å; N313-I315 VanDerWaalsContact C-N 3.29Å; N313-I315 PolarHBondContact O-N 3.43Å; N313-E316 PolarHBondContact O-N 3.07Å; N313-E316 VanDerWaalsContact O-N 3.12Å
314	A	88.6	Confident	88.8	Confident	73 Å²	73	63.2 Å²	63.2	60%	0.603	34%	0.337	S	S	*	.	H	α-helix	trans	-64.5	-30.6	178	0	0	0	0	0	113.5	S310 R311 E316	S310-A314 WeakPolarHBondContact O-CB 3.43Å; S310-A314 PolarHBondContact O-N 3.49Å; R311-A314 WeakPolarHBondContact O-CB 3.4Å; R311-A314 PolarHBondContact O-N 2.96Å; A314-E316 VanDerWaalsContact C-N 3.32Å
315	I	84.6	Confident	88.9	Confident	31 Å²	31	59.9 Å²	59.9	16%	0.159	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.5	177.5	-60.2	163.2	0	0	0	111.8	E269 L273 R311 L312 N313 R323	E269-I315 HydrophobicContact CG-CD1 3.7Å; E269-I315 WeakPolarHBondContact OE1-CD1 3.44Å; L273-I315 HydrophobicContact CD1-CD1 3.94Å; R311-I315 HydrophobicContact CG-CD1 3.95Å; R311-I315 WeakPolarHBondContact O-CG1 3.31Å; R311-I315 PolarHBondContact O-N 3.38Å; L312-I315 PolarHBondContact O-N 3.04Å; N313-I315 VanDerWaalsContact C-N 3.29Å; N313-I315 PolarHBondContact O-N 3.43Å; I315-R323 PolarHBondContact O-NH2 2.9Å
316	E	86.3	Confident	89	Confident	78 Å²	78	63.5 Å²	63.5	36%	0.364	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	50.8	-171.1	-53	-171.2	132.6	0	0	111.6	L312 N313 A314 D318 K319 A320 R323	L312-E316 PolarHBondContact O-N 3.31Å; N313-E316 PolarHBondContact O-N 3.07Å; N313-E316 VanDerWaalsContact O-N 3.12Å; A314-E316 VanDerWaalsContact C-N 3.32Å; E316-D318 VanDerWaalsContact C-OD1 3.29Å; E316-D318 WeakPolarHBondContact CA-OD1 3.48Å; E316-D318 PolarHBondContact O-N 3.4Å; E316-K319 HydrophobicContact CB-CB 4.34Å; E316-K319 HydrophobicContact CB-CD 4.28Å; E316-K319 PolarHBondContact O-N 3.26Å; E316-K319 VanDerWaalsContact O-N 3.16Å; E316-K319 IonicContact OE1-NZ 2.98Å; E316-K319 PolarHBondContact OE1-NZ 3.38Å; E316-K319 IonicContact OE2-NZ 3.79Å; E316-A320 PolarHBondContact O-N 3.46Å; E316-R323 PolarHBondContact O-NH2 3.41Å
317	A	82	Confident	89	Confident	15 Å²	15	60.9 Å²	60.9	12%	0.124	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25	-177.8	0	0	0	0	0	113.2	R270 L312 A320	R270-A317 HydrophobicContact CG-CB 4.05Å; L312-A317 HydrophobicContact CB-CB 4.11Å; L312-A317 HydrophobicContact CD2-CB 3.73Å; L312-A317 WeakPolarHBondContact O-CB 3.31Å; L312-A317 PolarHBondContact O-N 3.47Å; A317-A320 VanDerWaalsContact O-CB 3.28Å; A317-A320 WeakPolarHBondContact O-CB 3.49Å; A317-A320 PolarHBondContact O-N 3.12Å
318	D	85.1	Confident	89.1	Confident	114 Å²	114	56 Å²	56	61%	0.61	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-38	174.1	63.4	-35.9	0	0	0	112.5	E316 A320 P321	E316-D318 VanDerWaalsContact C-OD1 3.29Å; E316-D318 WeakPolarHBondContact CA-OD1 3.48Å; E316-D318 PolarHBondContact O-N 3.4Å; D318-A320 VanDerWaalsContact C-N 3.33Å; D318-P321 WeakPolarHBondContact O-CD 3.38Å
319	K	88.6	Confident	89	Confident	103 Å²	103	59.1 Å²	59.1	45%	0.448	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.5	176.4	-60.5	179.8	-168.2	165.5	0	113.2	E316 A322 R323	E316-K319 HydrophobicContact CB-CB 4.34Å; E316-K319 HydrophobicContact CB-CD 4.28Å; E316-K319 PolarHBondContact O-N 3.26Å; E316-K319 VanDerWaalsContact O-N 3.16Å; E316-K319 IonicContact OE1-NZ 2.98Å; E316-K319 PolarHBondContact OE1-NZ 3.38Å; E316-K319 IonicContact OE2-NZ 3.79Å; K319-A322 PolarHBondContact O-N 3.15Å; K319-R323 WeakPolarHBondContact O-CG 3.48Å; K319-R323 PolarHBondContact O-N 3.23Å; K319-R323 VanDerWaalsContact O-N 3.08Å
320	A	89	Confident	88.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.3	-46.2	-177.9	0	0	0	0	0	114	L264 E316 A317 D318 A322 R323 A324 F360	L264-A320 HydrophobicContact CD2-CB 3.86Å; E316-A320 PolarHBondContact O-N 3.46Å; A317-A320 VanDerWaalsContact O-CB 3.28Å; A317-A320 WeakPolarHBondContact O-CB 3.49Å; A317-A320 PolarHBondContact O-N 3.12Å; D318-A320 VanDerWaalsContact C-N 3.33Å; A320-A322 VanDerWaalsContact C-N 3.35Å; A320-A322 PolarHBondContact O-N 3.04Å; A320-R323 PolarHBondContact O-N 2.9Å; A320-A324 WeakPolarHBondContact O-CB 3.38Å; A320-A324 PolarHBondContact O-N 3.41Å; A320-F360 HydrophobicContact CB-CZ 4.01Å
321	P	90.5	Very high	88.8	Confident	52 Å²	52	50.6 Å²	50.6	34%	0.338	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-39.8	179.5	-22.7	35.2	0	0	0	113	L264 D318 A324 A325	L264-P321 HydrophobicContact CD1-CB 4.23Å; L264-P321 HydrophobicContact CD1-CG 4.22Å; D318-P321 WeakPolarHBondContact O-CD 3.38Å; P321-A324 PolarHBondContact O-N 3.45Å; P321-A325 VanDerWaalsContact O-CB 3.31Å; P321-A325 WeakPolarHBondContact O-CB 3.33Å; P321-A325 PolarHBondContact O-N 3.32Å
322	A	90.9	Very high	88.6	Confident	65 Å²	65	46.1 Å²	46.1	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-44.4	176.1	0	0	0	0	0	111.3	K319 A320 A324 A325 V326	K319-A322 PolarHBondContact O-N 3.15Å; A320-A322 VanDerWaalsContact C-N 3.35Å; A320-A322 PolarHBondContact O-N 3.04Å; A322-A324 PolarHBondContact O-N 3.26Å; A322-A325 PolarHBondContact O-N 3.43Å; A322-V326 WeakPolarHBondContact O-CG2 3.48Å; A322-V326 PolarHBondContact O-N 3.42Å
323	R	88.9	Confident	88.6	Confident	88 Å²	88	45.6 Å²	45.6	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-44	175.6	-70	-172	-65.9	177.3	-1.4	112.3	I315 E316 K319 A320 V326 V327 F360	I315-R323 PolarHBondContact O-NH2 2.9Å; E316-R323 PolarHBondContact O-NH2 3.41Å; K319-R323 WeakPolarHBondContact O-CG 3.48Å; K319-R323 PolarHBondContact O-N 3.23Å; K319-R323 VanDerWaalsContact O-N 3.08Å; A320-R323 PolarHBondContact O-N 2.9Å; R323-V326 PolarHBondContact O-N 3.11Å; R323-V327 WeakPolarHBondContact O-CG2 3.25Å; R323-V327 PolarHBondContact O-N 3.33Å; R323-V327 VanDerWaalsContact O-N 3.14Å; R323-F360 HydrophobicContact CB-CE2 4.09Å
324	A	91.7	Very high	88.4	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-41.7	177.1	0	0	0	0	0	111.7	L260 V263 L264 A320 P321 A322 V326 V327 L328 F360	L260-A324 HydrophobicContact CD1-CB 3.77Å; V263-A324 HydrophobicContact CB-CB 4.37Å; V263-A324 HydrophobicContact CG1-CB 3.84Å; L264-A324 HydrophobicContact CD2-CB 3.88Å; L264-A324 HydrophobicContact CG-CB 4.05Å; A320-A324 WeakPolarHBondContact O-CB 3.38Å; A320-A324 PolarHBondContact O-N 3.41Å; P321-A324 PolarHBondContact O-N 3.45Å; A322-A324 PolarHBondContact O-N 3.26Å; A324-V326 PolarHBondContact O-N 3.32Å; A324-V327 PolarHBondContact O-N 2.77Å; A324-L328 WeakPolarHBondContact O-CB 3.41Å; A324-L328 WeakPolarHBondContact O-CG 3.34Å; A324-L328 PolarHBondContact O-N 3.16Å; A324-F360 HydrophobicContact CB-CD2 4.04Å; A324-F360 HydrophobicContact CB-CE2 3.93Å; A324-F360 HydrophobicContact CB-CZ 4.48Å
325	A	91.7	Very high	88.2	Confident	26 Å²	26	46.7 Å²	46.7	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-39.2	176.5	0	0	0	0	0	112.6	L260 P321 A322 L328 H329 Q338	L260-A325 HydrophobicContact CD1-CB 4.1Å; P321-A325 VanDerWaalsContact O-CB 3.31Å; P321-A325 WeakPolarHBondContact O-CB 3.33Å; P321-A325 PolarHBondContact O-N 3.32Å; A322-A325 PolarHBondContact O-N 3.43Å; A325-L328 PolarHBondContact O-N 3.32Å; A325-H329 VanDerWaalsContact O-CB 3.26Å; A325-H329 WeakPolarHBondContact O-CB 3.47Å; A325-H329 PolarHBondContact O-N 3.48Å; A325-Q338 PolarHBondContact O-NE2 3.49Å
326	V	89.9	Confident	88.3	Confident	93 Å²	93	52.1 Å²	52.1	56%	0.564	28%	0.284	S	S	*	.	H	α-helix	trans	-64.4	-44.1	175.5	171.3	0	0	0	0	111.5	A322 R323 A324 H329 G330	A322-V326 WeakPolarHBondContact O-CG2 3.48Å; A322-V326 PolarHBondContact O-N 3.42Å; R323-V326 PolarHBondContact O-N 3.11Å; A324-V326 PolarHBondContact O-N 3.32Å; V326-H329 PolarHBondContact O-N 3.41Å; V326-G330 PolarHBondContact O-N 3.1Å
327	V	91.4	Very high	88.4	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-46.4	176.6	169.8	0	0	0	0	111	R323 A324 H329 G330 L331 A356 L359 W382 Y386	R323-V327 WeakPolarHBondContact O-CG2 3.25Å; R323-V327 PolarHBondContact O-N 3.33Å; R323-V327 VanDerWaalsContact O-N 3.14Å; A324-V327 PolarHBondContact O-N 2.77Å; V327-H329 PolarHBondContact O-N 3.27Å; V327-G330 PolarHBondContact O-N 3.43Å; V327-L331 HydrophobicContact CG1-CD1 4.3Å; V327-L331 PolarHBondContact O-N 3.15Å; V327-L331 VanDerWaalsContact O-N 3.16Å; V327-A356 HydrophobicContact CG1-CB 3.99Å; V327-L359 HydrophobicContact CG1-CB 4.29Å; V327-L359 HydrophobicContact CG1-CD1 4.47Å; V327-W382 HydrophobicContact CB-CH2 4.21Å; V327-W382 HydrophobicContact CG1-CH2 3.96Å; V327-W382 HydrophobicContact CG2-CH2 4.27Å; V327-W382 HydrophobicContact CG2-CZ2 4.46Å; V327-Y386 HydrophobicContact CG2-CE2 4.03Å
328	L	91.8	Very high	88.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-44.1	176.9	-78.6	170.5	0	0	0	111.7	L260 V263 A324 A325 G330 L331 G332 F333 Q338 L353 A356	L260-L328 HydrophobicContact CB-CD1 4.27Å; L260-L328 HydrophobicContact CD1-CD1 3.94Å; V263-L328 HydrophobicContact CB-CD1 4.48Å; V263-L328 HydrophobicContact CG2-CD1 3.93Å; V263-L328 HydrophobicContact CG2-CD2 3.83Å; V263-L328 HydrophobicContact CG2-CG 3.97Å; A324-L328 WeakPolarHBondContact O-CB 3.41Å; A324-L328 WeakPolarHBondContact O-CG 3.34Å; A324-L328 PolarHBondContact O-N 3.16Å; A325-L328 PolarHBondContact O-N 3.32Å; L328-G330 VanDerWaalsContact C-N 3.34Å; L328-G330 PolarHBondContact O-N 3.03Å; L328-L331 PolarHBondContact O-N 2.7Å; L328-G332 PolarHBondContact O-N 3.15Å; L328-F333 HydrophobicContact CB-CB 4.04Å; L328-F333 HydrophobicContact CB-CD2 4.37Å; L328-F333 HydrophobicContact CB-CG 4.4Å; L328-F333 HydrophobicContact CD2-CB 4.46Å; L328-F333 HydrophobicContact CD2-CD1 4.41Å; L328-F333 HydrophobicContact CD2-CD2 3.64Å; L328-F333 HydrophobicContact CD2-CE2 3.83Å; L328-F333 HydrophobicContact CD2-CG 3.94Å; L328-F333 HydrophobicContact CD2-CZ 4.29Å; L328-F333 WeakPolarHBondContact O-CB 3.28Å; L328-F333 WeakPolarHBondContact O-CD2 3.49Å; L328-F333 PolarHBondContact O-N 3.18Å; L328-Q338 HydrophobicContact CB-CG 4.08Å; L328-Q338 HydrophobicContact CD1-CG 4.08Å; L328-L353 HydrophobicContact CD2-CD1 3.9Å; L328-A356 HydrophobicContact CD2-CB 3.8Å; L328-A356 HydrophobicContact CG-CB 4.42Å
329	H	89.3	Confident	89	Confident	67 Å²	67	48.8 Å²	48.8	31%	0.31	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-41.8	178	-169.7	64.8	0	0	0	112.3	A325 V326 V327 L331 G332 F333 L733	A325-H329 VanDerWaalsContact O-CB 3.26Å; A325-H329 WeakPolarHBondContact O-CB 3.47Å; A325-H329 PolarHBondContact O-N 3.48Å; V326-H329 PolarHBondContact O-N 3.41Å; V327-H329 PolarHBondContact O-N 3.27Å; H329-L331 VanDerWaalsContact C-N 3.27Å; H329-L331 PolarHBondContact O-N 3.11Å; H329-G332 WeakPolarHBondContact O-CA 3.29Å; H329-G332 PolarHBondContact O-N 2.88Å; H329-F333 WeakPolarHBondContact CA-O 3.33Å; H329-L733 WeakPolarHBondContact NE2-CD1 3.36Å; H329-L733 WeakPolarHBondContact NE2-CD2 3.41Å
330	G	87.2	Confident	89.1	Confident	4 Å²	4	47.9 Å²	47.9	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-32.4	175.5	0	0	0	0	0	114.4	V326 V327 L328 G332	V326-G330 PolarHBondContact O-N 3.1Å; V327-G330 PolarHBondContact O-N 3.43Å; L328-G330 VanDerWaalsContact C-N 3.34Å; L328-G330 PolarHBondContact O-N 3.03Å; G330-G332 VanDerWaalsContact C-N 3.25Å; G330-G332 PolarHBondContact O-N 3.03Å
331	L	88.8	Confident	89.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	5.6	173.8	-66.1	171.4	0	0	0	113.6	V327 L328 H329 F333 R352 L355 A356 L359 W382	V327-L331 HydrophobicContact CG1-CD1 4.3Å; V327-L331 PolarHBondContact O-N 3.15Å; V327-L331 VanDerWaalsContact O-N 3.16Å; L328-L331 PolarHBondContact O-N 2.7Å; H329-L331 VanDerWaalsContact C-N 3.27Å; H329-L331 PolarHBondContact O-N 3.11Å; L331-F333 HydrophobicContact CB-CD2 4.37Å; L331-R352 PolarHBondContact O-NH1 3.28Å; L331-L355 HydrophobicContact CD1-CG 4.45Å; L331-L355 HydrophobicContact CD2-CD2 3.89Å; L331-A356 HydrophobicContact CD1-CB 3.64Å; L331-L359 HydrophobicContact CD1-CD1 4.45Å; L331-W382 HydrophobicContact CD1-CZ3 4.39Å; L331-W382 HydrophobicContact CD2-CE3 3.91Å; L331-W382 HydrophobicContact CD2-CZ3 3.78Å; L331-W382 HydrophobicContact CG-CE3 4.09Å; L331-W382 HydrophobicContact CG-CZ3 3.72Å
332	G	86.5	Confident	89.2	Confident	28 Å²	28	46.7 Å²	46.7	29%	0.289	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	6.5	173.8	0	0	0	0	0	115.7	L328 H329 G330 S334 W349	L328-G332 PolarHBondContact O-N 3.15Å; H329-G332 WeakPolarHBondContact O-CA 3.29Å; H329-G332 PolarHBondContact O-N 2.88Å; G330-G332 VanDerWaalsContact C-N 3.25Å; G330-G332 PolarHBondContact O-N 3.03Å; G332-S334 PolarHBondContact O-N 3.47Å; G332-W349 WeakPolarHBondContact O-CH2 3.45Å
333	F	87.6	Confident	89.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.			trans	-78.2	114.4	175.5	-68.7	-100.5	0	0	0	111	A259 L328 H329 L331 M337 Q338 F345 W349 R352 L353	A259-F333 HydrophobicContact CB-CE1 4.49Å; L328-F333 HydrophobicContact CB-CB 4.04Å; L328-F333 HydrophobicContact CB-CD2 4.37Å; L328-F333 HydrophobicContact CB-CG 4.4Å; L328-F333 HydrophobicContact CD2-CB 4.46Å; L328-F333 HydrophobicContact CD2-CD1 4.41Å; L328-F333 HydrophobicContact CD2-CD2 3.64Å; L328-F333 HydrophobicContact CD2-CE2 3.83Å; L328-F333 HydrophobicContact CD2-CG 3.94Å; L328-F333 HydrophobicContact CD2-CZ 4.29Å; L328-F333 WeakPolarHBondContact O-CB 3.28Å; L328-F333 WeakPolarHBondContact O-CD2 3.49Å; L328-F333 PolarHBondContact O-N 3.18Å; H329-F333 WeakPolarHBondContact CA-O 3.33Å; L331-F333 HydrophobicContact CB-CD2 4.37Å; F333-M337 HydrophobicContact CB-CB 4.44Å; F333-M337 HydrophobicContact CD1-CB 4.17Å; F333-M337 HydrophobicContact CD1-CE 4.49Å; F333-Q338 HydrophobicContact CB-CG 4.03Å; F333-Q338 PolarHBondContact O-NE2 2.94Å; F333-Q338 VanDerWaalsContact O-NE2 3.16Å; F333-F345 HydrophobicContact CD1-CE1 4.26Å; F333-F345 HydrophobicContact CD1-CZ 4.23Å; F333-F345 HydrophobicContact CE1-CD1 4.33Å; F333-F345 AromaticContact CE1-CE1 4Å; F333-F345 HydrophobicContact CE1-CE1 4Å; F333-F345 HydrophobicContact CE1-CE2 4.33Å; F333-F345 HydrophobicContact CE1-CZ 4.01Å; F333-W349 AromaticContact CD1-CE3 3.91Å; F333-W349 HydrophobicContact CD1-CE3 3.91Å; F333-W349 AromaticContact CD1-CZ3 3.97Å; F333-W349 HydrophobicContact CD1-CZ3 3.97Å; F333-W349 HydrophobicContact CD2-CE3 4.23Å; F333-W349 HydrophobicContact CD2-CZ3 4Å; F333-W349 AromaticContact CE1-CE3 3.6Å; F333-W349 HydrophobicContact CE1-CE3 3.6Å; F333-W349 HydrophobicContact CE1-CZ3 4.14Å; F333-W349 AromaticContact CE2-CE3 3.96Å; F333-W349 HydrophobicContact CE2-CE3 3.96Å; F333-W349 HydrophobicContact CE2-CZ3 4.18Å; F333-W349 HydrophobicContact CG-CE3 4.22Å; F333-W349 AromaticContact CG-CZ3 3.91Å; F333-W349 HydrophobicContact CG-CZ3 3.91Å; F333-W349 AromaticContact CZ-CE3 3.65Å; F333-W349 HydrophobicContact CZ-CE3 3.65Å; F333-W349 HydrophobicContact CZ-CZ3 4.25Å; F333-W349 WeakPolarHBondContact CZ-O 3.38Å; F333-R352 HydrophobicContact CE2-CB 3.76Å; F333-R352 HydrophobicContact CZ-CB 4.14Å; F333-L353 HydrophobicContact CZ-CB 4.17Å
334	S	84.9	Confident	89	Confident	40 Å²	40	50.7 Å²	50.7	28%	0.28	27%	0.27	S	S	.	.			trans	-65.6	161.2	170.6	76.4	0	0	0	0	111.4	G332 E336 M337 Q338	G332-S334 PolarHBondContact O-N 3.47Å; S334-E336 PolarHBondContact O-N 3.12Å; S334-M337 WeakPolarHBondContact O-CA 3.46Å; S334-M337 WeakPolarHBondContact O-CB 3.5Å; S334-M337 PolarHBondContact O-N 3.05Å; S334-M337 VanDerWaalsContact OG-CG 3.32Å; S334-M337 WeakPolarHBondContact OG-CG 3.42Å; S334-M337 PolarHBondContact OG-N 3.08Å; S334-Q338 WeakPolarHBondContact O-CG 3.42Å; S334-Q338 PolarHBondContact O-N 3.08Å
335	Q	86.4	Confident	88.6	Confident	171 Å²	171	51.3 Å²	51.3	80%	0.799	27%	0.272	S	S	*	.	H	α-helix	trans	-56.5	-37.1	178.1	-168.8	176.1	20	0	0	112.5	M337 Q338	Q335-M337 VanDerWaalsContact C-N 3.33Å; Q335-M337 PolarHBondContact O-N 3.38Å; Q335-Q338 PolarHBondContact O-N 3.41Å
336	E	86.8	Confident	88.1	Confident	145 Å²	145	53.6 Å²	53.6	68%	0.678	29%	0.287	S	S	*	.	H	α-helix	trans	-67.1	-31.9	173.9	-64.5	-174.9	175.5	0	0	113	S334 S339 K340	S334-E336 PolarHBondContact O-N 3.12Å; E336-S339 PolarHBondContact O-OG 3.07Å; E336-S339 VanDerWaalsContact O-OG 3.05Å; E336-K340 WeakPolarHBondContact O-CG 3.38Å
337	M	86.5	Confident	87.3	Confident	36 Å²	36	50.2 Å²	50.2	18%	0.177	27%	0.27	C	S	.	.	H	α-helix	trans	-75.2	-34.6	177	-67.6	174.7	73.9	0	0	110.8	F333 S334 Q335 S339 K340 F345 W349	F333-M337 HydrophobicContact CB-CB 4.44Å; F333-M337 HydrophobicContact CD1-CB 4.17Å; F333-M337 HydrophobicContact CD1-CE 4.49Å; S334-M337 WeakPolarHBondContact O-CA 3.46Å; S334-M337 WeakPolarHBondContact O-CB 3.5Å; S334-M337 PolarHBondContact O-N 3.05Å; S334-M337 VanDerWaalsContact OG-CG 3.32Å; S334-M337 WeakPolarHBondContact OG-CG 3.42Å; S334-M337 PolarHBondContact OG-N 3.08Å; Q335-M337 VanDerWaalsContact C-N 3.33Å; Q335-M337 PolarHBondContact O-N 3.38Å; M337-S339 PolarHBondContact O-N 2.83Å; M337-S339 VanDerWaalsContact O-N 3.14Å; M337-K340 WeakPolarHBondContact O-CB 3.33Å; M337-K340 PolarHBondContact O-N 2.83Å; M337-F345 HydrophobicContact CB-CE1 4.16Å; M337-F345 HydrophobicContact CB-CZ 4.24Å; M337-F345 HydrophobicContact CE-CD1 4.17Å; M337-F345 HydrophobicContact CE-CE1 3.6Å; M337-F345 HydrophobicContact CG-CE1 4.47Å; M337-F345 WeakPolarHBondContact O-CZ 3.2Å; M337-W349 HydrophobicContact CE-CD2 3.72Å; M337-W349 HydrophobicContact CE-CE3 3.57Å; M337-W349 HydrophobicContact CE-CH2 3.39Å; M337-W349 HydrophobicContact CE-CZ2 3.54Å; M337-W349 HydrophobicContact CE-CZ3 3.39Å; M337-W349 HydrophobicContact SD-CH2 4.01Å; M337-W349 HydrophobicContact SD-CZ2 4.42Å; M337-W349 HydrophobicContact SD-CZ3 4.29Å
338	Q	90.4	Very high	86.6	Confident	19 Å²	19	50.8 Å²	50.8	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-27.2	179.9	-68	177.6	26	0	0	113.4	A259 L260 A325 L328 F333 S334 Q335	A259-Q338 PolarHBondContact N-O 3.43Å; L260-Q338 HydrophobicContact CB-CB 4.37Å; L260-Q338 PolarHBondContact N-O 3.15Å; A325-Q338 PolarHBondContact O-NE2 3.49Å; L328-Q338 HydrophobicContact CB-CG 4.08Å; L328-Q338 HydrophobicContact CD1-CG 4.08Å; F333-Q338 HydrophobicContact CB-CG 4.03Å; F333-Q338 PolarHBondContact O-NE2 2.94Å; F333-Q338 VanDerWaalsContact O-NE2 3.16Å; S334-Q338 WeakPolarHBondContact O-CG 3.42Å; S334-Q338 PolarHBondContact O-N 3.08Å; Q335-Q338 PolarHBondContact O-N 3.41Å
339	S	90.9	Very high	86.2	Confident	83 Å²	83	52.7 Å²	52.7	58%	0.58	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.5	176.4	61.3	0	0	0	0	114.6	E336 M337	E336-S339 PolarHBondContact O-OG 3.07Å; E336-S339 VanDerWaalsContact O-OG 3.05Å; M337-S339 PolarHBondContact O-N 2.83Å; M337-S339 VanDerWaalsContact O-N 3.14Å
340	K	91	Very high	86	Confident	83 Å²	83	52.4 Å²	52.4	36%	0.361	28%	0.281	S	S	.	.	S	Bend	trans	-78.3	148.3	179.9	-73.5	179	-172.6	-176.8	0	112	P258 A259 E336 M337 F345	P258-K340 WeakPolarHBondContact CA-O 3.33Å; A259-K340 PolarHBondContact N-O 3.13Å; E336-K340 WeakPolarHBondContact O-CG 3.38Å; M337-K340 WeakPolarHBondContact O-CB 3.33Å; M337-K340 PolarHBondContact O-N 2.83Å; K340-F345 HydrophobicContact CB-CE2 4.28Å; K340-F345 HydrophobicContact CB-CZ 3.9Å
341	P	91.8	Very high	85.9	Confident	27 Å²	27	54.5 Å²	54.5	18%	0.175	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-70.6	146.6	179	30.5	-35.7	0	0	0	111.8	T257 K343 E344	T257-P341 CarbonylContact O-C 3.59Å; T257-P341 VanDerWaalsContact O-CA 3.25Å; T257-P341 WeakPolarHBondContact O-CA 3.47Å; P341-K343 HydrophobicContact CB-CG 4.19Å; P341-K343 HydrophobicContact CG-CG 4.29Å; P341-K343 PolarHBondContact O-N 2.84Å; P341-K343 VanDerWaalsContact O-N 3.15Å; P341-E344 HydrophobicContact CG-CG 3.91Å; P341-E344 WeakPolarHBondContact CG-OE1 3.49Å; P341-E344 PolarHBondContact O-N 2.85Å; P341-E344 VanDerWaalsContact O-N 3.09Å
342	T	88.7	Confident	85.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-61.9	-28.8	-172.2	65.9	0	0	0	0	114	D255 T257 E344 F345 R350 L353	D255-T342 PolarHBondContact N-OG1 3.07Å; D255-T342 PolarHBondContact O-N 2.95Å; D255-T342 PolarHBondContact O-OG1 3.1Å; D255-T342 VanDerWaalsContact O-OG1 3.09Å; D255-T342 PolarHBondContact OD1-OG1 3.19Å; T257-T342 VanDerWaalsContact O-CG2 3.31Å; T257-T342 WeakPolarHBondContact O-CG2 2.87Å; T257-T342 PolarHBondContact O-N 2.67Å; T342-E344 VanDerWaalsContact C-N 3.25Å; T342-E344 PolarHBondContact O-N 2.84Å; T342-F345 PolarHBondContact O-N 3.33Å; T342-R350 PolarHBondContact O-NE 3.31Å; T342-L353 HydrophobicContact CG2-CD2 3.33Å
343	K	88.2	Confident	86.1	Confident	118 Å²	118	53.3 Å²	53.3	51%	0.513	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27	175.4	66.7	-174.3	-179.9	176.5	0	114.7	D255 P341 F345 R350	D255-K343 VanDerWaalsContact O-CB 3.31Å; D255-K343 WeakPolarHBondContact O-CB 3.38Å; D255-K343 WeakPolarHBondContact O-CG 3.48Å; D255-K343 PolarHBondContact O-N 2.81Å; P341-K343 HydrophobicContact CB-CG 4.19Å; P341-K343 HydrophobicContact CG-CG 4.29Å; P341-K343 PolarHBondContact O-N 2.84Å; P341-K343 VanDerWaalsContact O-N 3.15Å; K343-F345 VanDerWaalsContact C-N 3.31Å; K343-R350 PolarHBondContact O-NH2 2.87Å
344	E	87	Confident	86.1	Confident	120 Å²	120	53.8 Å²	53.8	56%	0.561	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-79.4	-14.6	-179.5	-74.4	178.5	-158.3	0	0	113.3	P341 T342	P341-E344 HydrophobicContact CG-CG 3.91Å; P341-E344 WeakPolarHBondContact CG-OE1 3.49Å; P341-E344 PolarHBondContact O-N 2.85Å; P341-E344 VanDerWaalsContact O-N 3.09Å; T342-E344 VanDerWaalsContact C-N 3.25Å; T342-E344 PolarHBondContact O-N 2.84Å
345	F	84.2	Confident	86.5	Confident	13 Å²	13	52.2 Å²	52.2	6%	0.057	27%	0.269	C	S	.	.	S	Bend	trans	-80	144.8	177.3	-67.8	-61.9	0	0	0	111.9	A259 F333 M337 K340 T342 K343 W349 R350	A259-F345 HydrophobicContact CB-CE2 3.91Å; A259-F345 HydrophobicContact CB-CZ 4.33Å; F333-F345 HydrophobicContact CD1-CE1 4.26Å; F333-F345 HydrophobicContact CD1-CZ 4.23Å; F333-F345 HydrophobicContact CE1-CD1 4.33Å; F333-F345 AromaticContact CE1-CE1 4Å; F333-F345 HydrophobicContact CE1-CE1 4Å; F333-F345 HydrophobicContact CE1-CE2 4.33Å; F333-F345 HydrophobicContact CE1-CZ 4.01Å; M337-F345 HydrophobicContact CB-CE1 4.16Å; M337-F345 HydrophobicContact CB-CZ 4.24Å; M337-F345 HydrophobicContact CE-CD1 4.17Å; M337-F345 HydrophobicContact CE-CE1 3.6Å; M337-F345 HydrophobicContact CG-CE1 4.47Å; M337-F345 WeakPolarHBondContact O-CZ 3.2Å; K340-F345 HydrophobicContact CB-CE2 4.28Å; K340-F345 HydrophobicContact CB-CZ 3.9Å; T342-F345 PolarHBondContact O-N 3.33Å; K343-F345 VanDerWaalsContact C-N 3.31Å; F345-W349 HydrophobicContact CB-CB 3.61Å; F345-W349 HydrophobicContact CD1-CB 3.82Å; F345-W349 HydrophobicContact CD1-CD2 4.4Å; F345-W349 HydrophobicContact CD1-CG 4.06Å; F345-W349 HydrophobicContact CG-CB 3.95Å; F345-R350 HydrophobicContact CB-CG 3.98Å; F345-R350 PolarHBondContact O-NE 3.07Å; F345-R350 PolarHBondContact O-NH2 3.34Å
346	S	79.9	Confident	86.7	Confident	74 Å²	74	44 Å²	44	52%	0.517	23%	0.231	S	C	.	.			trans	-70.5	166.1	168.4	72.1	0	0	0	0	111.1	G348 W349 R350	S346-G348 VanDerWaalsContact C-N 3.33Å; S346-G348 PolarHBondContact O-N 2.78Å; S346-W349 WeakPolarHBondContact O-CB 3.49Å; S346-W349 PolarHBondContact O-N 3.03Å; S346-R350 PolarHBondContact O-N 3.18Å
347	G	73.8	Confident	86.9	Confident	21 Å²	21	39.1 Å²	39.1	22%	0.216	21%	0.208	C	C	.	.	H	α-helix	trans	-52.9	-45	-176.9	0	0	0	0	0	114.3	E251 W349 R350 M351	E251-G347 VanDerWaalsContact CD-C 3.4Å; E251-G347 VanDerWaalsContact CD-O 3.29Å; E251-G347 WeakPolarHBondContact OE1-CA 3.47Å; E251-G347 WeakPolarHBondContact OE2-CA 3.44Å; G347-W349 VanDerWaalsContact C-N 3.35Å; G347-W349 PolarHBondContact O-N 2.82Å; G347-R350 CarbonylContact O-C 3.57Å; G347-R350 WeakPolarHBondContact O-CA 3.35Å; G347-R350 WeakPolarHBondContact O-CB 3.33Å; G347-R350 PolarHBondContact O-N 3.32Å; G347-M351 PolarHBondContact O-N 3.03Å
348	G	76.8	Confident	87.1	Confident	17 Å²	17	37.5 Å²	37.5	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-36	175.7	0	0	0	0	0	114.3	S346 M351 R352 M374	S346-G348 VanDerWaalsContact C-N 3.33Å; S346-G348 PolarHBondContact O-N 2.78Å; G348-M351 PolarHBondContact O-N 2.87Å; G348-R352 WeakPolarHBondContact O-CG 3.46Å; G348-R352 PolarHBondContact O-N 3.23Å; G348-M374 VanDerWaalsContact CA-SD 3.56Å
349	W	84.7	Confident	87.1	Confident	41 Å²	41	36.8 Å²	36.8	16%	0.155	20%	0.197	C	C	.	.	H	α-helix	trans	-70.6	-34.3	172.9	-78.7	102.2	0	0	0	111.8	G332 F333 M337 F345 S346 G347 M351 R352 L353	G332-W349 WeakPolarHBondContact O-CH2 3.45Å; F333-W349 AromaticContact CD1-CE3 3.91Å; F333-W349 HydrophobicContact CD1-CE3 3.91Å; F333-W349 AromaticContact CD1-CZ3 3.97Å; F333-W349 HydrophobicContact CD1-CZ3 3.97Å; F333-W349 HydrophobicContact CD2-CE3 4.23Å; F333-W349 HydrophobicContact CD2-CZ3 4Å; F333-W349 AromaticContact CE1-CE3 3.6Å; F333-W349 HydrophobicContact CE1-CE3 3.6Å; F333-W349 HydrophobicContact CE1-CZ3 4.14Å; F333-W349 AromaticContact CE2-CE3 3.96Å; F333-W349 HydrophobicContact CE2-CE3 3.96Å; F333-W349 HydrophobicContact CE2-CZ3 4.18Å; F333-W349 HydrophobicContact CG-CE3 4.22Å; F333-W349 AromaticContact CG-CZ3 3.91Å; F333-W349 HydrophobicContact CG-CZ3 3.91Å; F333-W349 AromaticContact CZ-CE3 3.65Å; F333-W349 HydrophobicContact CZ-CE3 3.65Å; F333-W349 HydrophobicContact CZ-CZ3 4.25Å; F333-W349 WeakPolarHBondContact CZ-O 3.38Å; M337-W349 HydrophobicContact CE-CD2 3.72Å; M337-W349 HydrophobicContact CE-CE3 3.57Å; M337-W349 HydrophobicContact CE-CH2 3.39Å; M337-W349 HydrophobicContact CE-CZ2 3.54Å; M337-W349 HydrophobicContact CE-CZ3 3.39Å; M337-W349 HydrophobicContact SD-CH2 4.01Å; M337-W349 HydrophobicContact SD-CZ2 4.42Å; M337-W349 HydrophobicContact SD-CZ3 4.29Å; F345-W349 HydrophobicContact CB-CB 3.61Å; F345-W349 HydrophobicContact CD1-CB 3.82Å; F345-W349 HydrophobicContact CD1-CD2 4.4Å; F345-W349 HydrophobicContact CD1-CG 4.06Å; F345-W349 HydrophobicContact CG-CB 3.95Å; S346-W349 WeakPolarHBondContact O-CB 3.49Å; S346-W349 PolarHBondContact O-N 3.03Å; G347-W349 VanDerWaalsContact C-N 3.35Å; G347-W349 PolarHBondContact O-N 2.82Å; W349-M351 VanDerWaalsContact C-N 3.35Å; W349-R352 WeakPolarHBondContact O-CB 3.5Å; W349-R352 PolarHBondContact O-N 2.97Å; W349-L353 PolarHBondContact O-N 2.95Å
350	R	84.5	Confident	87.1	Confident	60 Å²	60	33.8 Å²	33.8	23%	0.226	17%	0.173	C	C	.	.	H	α-helix	trans	-69.4	-32.6	172.9	-64.1	-176.4	-168.3	160.9	1.4	112.2	E251 V252 T342 K343 F345 S346 G347 L353 A354	E251-R350 HydrophobicContact CB-CB 4.06Å; V252-R350 VanDerWaalsContact O-CD 3.26Å; V252-R350 WeakPolarHBondContact O-CD 3.32Å; T342-R350 PolarHBondContact O-NE 3.31Å; K343-R350 PolarHBondContact O-NH2 2.87Å; F345-R350 HydrophobicContact CB-CG 3.98Å; F345-R350 PolarHBondContact O-NE 3.07Å; F345-R350 PolarHBondContact O-NH2 3.34Å; S346-R350 PolarHBondContact O-N 3.18Å; G347-R350 CarbonylContact O-C 3.57Å; G347-R350 WeakPolarHBondContact O-CA 3.35Å; G347-R350 WeakPolarHBondContact O-CB 3.33Å; G347-R350 PolarHBondContact O-N 3.32Å; R350-L353 WeakPolarHBondContact O-CB 3.45Å; R350-L353 PolarHBondContact O-N 3.31Å; R350-A354 PolarHBondContact O-N 3.34Å
351	M	83.9	Confident	86.9	Confident	49 Å²	49	31 Å²	31	24%	0.241	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-45.4	169.8	-175.4	59.4	78.1	0	0	111.2	V248 E251 G347 G348 W349 L353 A354 L355	V248-M351 HydrophobicContact CG1-SD 4.22Å; E251-M351 HydrophobicContact CG-CB 4.25Å; E251-M351 HydrophobicContact CG-CE 4.07Å; G347-M351 PolarHBondContact O-N 3.03Å; G348-M351 PolarHBondContact O-N 2.87Å; W349-M351 VanDerWaalsContact C-N 3.35Å; M351-L353 PolarHBondContact O-N 3.33Å; M351-A354 WeakPolarHBondContact O-CB 3.12Å; M351-A354 PolarHBondContact O-N 3.01Å; M351-A354 VanDerWaalsContact O-N 3.1Å; M351-L355 PolarHBondContact O-N 3.04Å
352	R	89	Confident	86.7	Confident	3 Å²	3	35 Å²	35	1%	0.011	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-37.3	173.3	-70.9	-179	-178.9	-153.9	2.5	112.1	L331 F333 G348 W349 L355 A356 M374 L375 D376 N543	L331-R352 PolarHBondContact O-NH1 3.28Å; F333-R352 HydrophobicContact CE2-CB 3.76Å; F333-R352 HydrophobicContact CZ-CB 4.14Å; G348-R352 WeakPolarHBondContact O-CG 3.46Å; G348-R352 PolarHBondContact O-N 3.23Å; W349-R352 WeakPolarHBondContact O-CB 3.5Å; W349-R352 PolarHBondContact O-N 2.97Å; R352-L355 PolarHBondContact O-N 3.42Å; R352-A356 WeakPolarHBondContact O-CB 3.45Å; R352-A356 PolarHBondContact O-N 3.24Å; R352-M374 PolarHBondContact NE-O 3Å; R352-M374 PolarHBondContact NH2-O 3.38Å; R352-M374 VanDerWaalsContact NH2-O 3.13Å; R352-L375 HydrophobicContact CG-CD2 3.52Å; R352-D376 IonicContact CZ-OD2 3.9Å; R352-D376 IonicContact NH1-OD2 2.64Å; R352-D376 PolarHBondContact NH1-OD2 3.34Å; R352-D376 IonicContact NH2-OD2 2.87Å; R352-D376 PolarHBondContact NH2-OD2 3.1Å; R352-N543 VanDerWaalsContact NH2-CG 3.25Å; R352-N543 PolarHBondContact NH2-ND2 2.83Å
353	L	90.6	Very high	86.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-41.5	174.8	-173.2	65.2	0	0	0	112.1	V252 A259 V263 L328 F333 T342 W349 R350 M351 L355 A356 Q357	V252-L353 HydrophobicContact CG2-CB 4.38Å; V252-L353 HydrophobicContact CG2-CD2 4.46Å; V252-L353 HydrophobicContact CG2-CG 4.35Å; A259-L353 HydrophobicContact CB-CD1 4.06Å; V263-L353 HydrophobicContact CG2-CD1 3.62Å; L328-L353 HydrophobicContact CD2-CD1 3.9Å; F333-L353 HydrophobicContact CZ-CB 4.17Å; T342-L353 HydrophobicContact CG2-CD2 3.33Å; W349-L353 PolarHBondContact O-N 2.95Å; R350-L353 WeakPolarHBondContact O-CB 3.45Å; R350-L353 PolarHBondContact O-N 3.31Å; M351-L353 PolarHBondContact O-N 3.33Å; L353-L355 VanDerWaalsContact C-N 3.3Å; L353-L355 PolarHBondContact O-N 3.46Å; L353-A356 WeakPolarHBondContact O-CB 3.03Å; L353-A356 PolarHBondContact O-N 2.94Å; L353-Q357 WeakPolarHBondContact O-CG 3.45Å; L353-Q357 PolarHBondContact O-N 3.28Å
354	A	89.3	Confident	86.7	Confident	10 Å²	10	30.5 Å²	30.5	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-42.6	174.2	0	0	0	0	0	111.2	V248 V252 R350 M351 Q357 A358	V248-A354 HydrophobicContact CG1-CB 4.04Å; V252-A354 HydrophobicContact CG2-CB 3.62Å; R350-A354 PolarHBondContact O-N 3.34Å; M351-A354 WeakPolarHBondContact O-CB 3.12Å; M351-A354 PolarHBondContact O-N 3.01Å; M351-A354 VanDerWaalsContact O-N 3.1Å; A354-Q357 WeakPolarHBondContact O-CB 3.38Å; A354-Q357 PolarHBondContact O-N 2.93Å; A354-A358 WeakPolarHBondContact O-CB 3.33Å; A354-A358 PolarHBondContact O-N 3.4Å
355	L	91.5	Very high	87	Confident	6 Å²	6	24.8 Å²	24.8	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-45.1	174.2	-174.9	63.3	0	0	0	111.1	L331 M351 R352 L353 Q357 A358 L359 L368 P371 L375 L383	L331-L355 HydrophobicContact CD1-CG 4.45Å; L331-L355 HydrophobicContact CD2-CD2 3.89Å; M351-L355 PolarHBondContact O-N 3.04Å; R352-L355 PolarHBondContact O-N 3.42Å; L353-L355 VanDerWaalsContact C-N 3.3Å; L353-L355 PolarHBondContact O-N 3.46Å; L355-Q357 PolarHBondContact O-N 3.09Å; L355-A358 PolarHBondContact O-N 3.42Å; L355-A358 VanDerWaalsContact O-N 3.15Å; L355-L359 HydrophobicContact CD1-CG 4.38Å; L355-L359 HydrophobicContact CG-CD1 4.17Å; L355-L359 HydrophobicContact CG-CG 4.43Å; L355-L359 VanDerWaalsContact O-CG 3.29Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 2.97Å; L355-L368 HydrophobicContact CD1-CD1 4.36Å; L355-L368 HydrophobicContact CD1-CD2 3.73Å; L355-P371 HydrophobicContact CD1-CB 4.38Å; L355-L375 HydrophobicContact CD2-CD1 4.04Å; L355-L383 HydrophobicContact CD2-CD1 4.16Å; L355-L383 HydrophobicContact CD2-CD2 4.04Å
356	A	91.9	Very high	87.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-45.6	177.1	0	0	0	0	0	112.3	V263 V327 L328 L331 R352 L353 A358 L359 F360	V263-A356 HydrophobicContact CG2-CB 3.81Å; V327-A356 HydrophobicContact CG1-CB 3.99Å; L328-A356 HydrophobicContact CD2-CB 3.8Å; L328-A356 HydrophobicContact CG-CB 4.42Å; L331-A356 HydrophobicContact CD1-CB 3.64Å; R352-A356 WeakPolarHBondContact O-CB 3.45Å; R352-A356 PolarHBondContact O-N 3.24Å; L353-A356 WeakPolarHBondContact O-CB 3.03Å; L353-A356 PolarHBondContact O-N 2.94Å; A356-A358 VanDerWaalsContact C-N 3.29Å; A356-A358 PolarHBondContact O-N 3Å; A356-L359 PolarHBondContact O-N 3.39Å; A356-F360 VanDerWaalsContact O-CB 3.25Å; A356-F360 WeakPolarHBondContact O-CB 3.49Å; A356-F360 PolarHBondContact O-N 2.95Å
357	Q	90.4	Very high	88.1	Confident	41 Å²	41	21 Å²	21	19%	0.192	11%	0.111	C	C	.	.	H	α-helix	trans	-56.1	-44.9	174.1	-75.7	173.4	-1.3	0	0	111.1	S262 V263 A266 L353 A354 L355 F360 A361	S262-Q357 PolarHBondContact O-NE2 3.36Å; S262-Q357 PolarHBondContact OG-NE2 3.46Å; V263-Q357 HydrophobicContact CG2-CG 4.24Å; A266-Q357 HydrophobicContact CB-CB 3.74Å; A266-Q357 HydrophobicContact CB-CG 4Å; L353-Q357 WeakPolarHBondContact O-CG 3.45Å; L353-Q357 PolarHBondContact O-N 3.28Å; A354-Q357 WeakPolarHBondContact O-CB 3.38Å; A354-Q357 PolarHBondContact O-N 2.93Å; L355-Q357 PolarHBondContact O-N 3.09Å; Q357-F360 PolarHBondContact O-N 3.19Å; Q357-A361 WeakPolarHBondContact O-CB 3.42Å; Q357-A361 PolarHBondContact O-N 2.89Å
358	A	90.2	Very high	89	Confident	2 Å²	2	20.1 Å²	20.1	2%	0.017	10%	0.101	C	C	.	.	H	α-helix	trans	-71.3	-39.2	-176.8	0	0	0	0	0	114.2	L246 V248 A354 L355 A356 F360 P363 L366	L246-A358 HydrophobicContact CD2-CB 3.52Å; L246-A358 HydrophobicContact CG-CB 4.24Å; V248-A358 HydrophobicContact CG2-CB 3.25Å; A354-A358 WeakPolarHBondContact O-CB 3.33Å; A354-A358 PolarHBondContact O-N 3.4Å; L355-A358 PolarHBondContact O-N 3.42Å; L355-A358 VanDerWaalsContact O-N 3.15Å; A356-A358 VanDerWaalsContact C-N 3.29Å; A356-A358 PolarHBondContact O-N 3Å; A358-F360 VanDerWaalsContact C-N 3.33Å; A358-P363 WeakPolarHBondContact O-CD 3.28Å; A358-L366 HydrophobicContact CB-CD1 3.91Å
359	L	91.4	Very high	89.6	Confident	5 Å²	5	20.8 Å²	20.8	3%	0.026	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-38.8	173.3	-65.1	177.4	0	0	0	111.2	V327 L331 L355 A356 K362 L366 W382 L383 Y386 L387	V327-L359 HydrophobicContact CG1-CB 4.29Å; V327-L359 HydrophobicContact CG1-CD1 4.47Å; L331-L359 HydrophobicContact CD1-CD1 4.45Å; L355-L359 HydrophobicContact CD1-CG 4.38Å; L355-L359 HydrophobicContact CG-CD1 4.17Å; L355-L359 HydrophobicContact CG-CG 4.43Å; L355-L359 VanDerWaalsContact O-CG 3.29Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 2.97Å; A356-L359 PolarHBondContact O-N 3.39Å; L359-K362 WeakPolarHBondContact O-CG 3.32Å; L359-L366 HydrophobicContact CD2-CD2 4.06Å; L359-W382 HydrophobicContact CD1-CH2 4.1Å; L359-W382 HydrophobicContact CD1-CZ3 3.82Å; L359-L383 HydrophobicContact CD1-CD1 3.75Å; L359-L383 HydrophobicContact CD2-CD1 4.34Å; L359-Y386 HydrophobicContact CB-CD1 4.47Å; L359-Y386 HydrophobicContact CB-CE1 3.8Å; L359-Y386 HydrophobicContact CD1-CD1 4.16Å; L359-Y386 HydrophobicContact CD1-CE1 4.3Å; L359-Y386 HydrophobicContact CD2-CD1 3.85Å; L359-Y386 HydrophobicContact CD2-CE1 3.8Å; L359-Y386 HydrophobicContact CG-CD1 4.38Å; L359-Y386 HydrophobicContact CG-CE1 4.17Å; L359-Y386 PolarHBondContact O-OH 3.14Å; L359-L387 HydrophobicContact CD2-CD2 3.76Å
360	F	90.8	Very high	89.7	Confident	19 Å²	19	19.9 Å²	19.9	8%	0.083	10%	0.098	C	C	.	.	H	α-helix	trans	-68.9	-41.5	179.3	-177.1	-101.6	0	0	0	112.9	V263 L264 D267 A320 R323 A324 A356 Q357 A358 K362	V263-F360 HydrophobicContact CG1-CB 3.56Å; V263-F360 HydrophobicContact CG1-CD1 4Å; V263-F360 HydrophobicContact CG1-CD2 4.24Å; V263-F360 HydrophobicContact CG1-CG 3.66Å; V263-F360 VanDerWaalsContact O-CD1 3.29Å; V263-F360 WeakPolarHBondContact O-CD1 3.34Å; L264-F360 HydrophobicContact CD2-CE1 4.2Å; L264-F360 HydrophobicContact CD2-CE2 4.49Å; L264-F360 HydrophobicContact CD2-CZ 3.82Å; D267-F360 HydrophobicContact CB-CD1 4.39Å; D267-F360 HydrophobicContact CB-CE1 3.8Å; A320-F360 HydrophobicContact CB-CZ 4.01Å; R323-F360 HydrophobicContact CB-CE2 4.09Å; A324-F360 HydrophobicContact CB-CD2 4.04Å; A324-F360 HydrophobicContact CB-CE2 3.93Å; A324-F360 HydrophobicContact CB-CZ 4.48Å; A356-F360 VanDerWaalsContact O-CB 3.25Å; A356-F360 WeakPolarHBondContact O-CB 3.49Å; A356-F360 PolarHBondContact O-N 2.95Å; Q357-F360 PolarHBondContact O-N 3.19Å; A358-F360 VanDerWaalsContact C-N 3.33Å; F360-K362 PolarHBondContact O-N 3.48Å
361	A	86.9	Confident	89.9	Confident	25 Å²	25	17.8 Å²	17.8	21%	0.207	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-22	-178.4	0	0	0	0	0	114.1	L246 A266 Q357	L246-A361 HydrophobicContact CD2-CB 4.06Å; A266-A361 HydrophobicContact CB-CB 4.46Å; Q357-A361 WeakPolarHBondContact O-CB 3.42Å; Q357-A361 PolarHBondContact O-N 2.89Å
362	K	86.2	Confident	89.9	Confident	110 Å²	110	16.1 Å²	16.1	48%	0.478	9%	0.085	S	C	.	.			trans	46.7	61.6	-179.4	-64.8	-174.7	177.9	-171.5	0	113.2	R244 L359 F360 N392	R244-K362 PolarHBondContact NH2-O 3.33Å; L359-K362 WeakPolarHBondContact O-CG 3.32Å; F360-K362 PolarHBondContact O-N 3.48Å; K362-N392 PolarHBondContact O-ND2 3.47Å
363	P	88.1	Confident	89.5	Confident	8 Å²	8	18.1 Å²	18.1	5%	0.052	10%	0.095	C	C	.	.			trans	-67.3	160.1	177.7	34.9	-41.2	0	0	0	111.2	R244 L246 A358 L366 N392	R244-P363 WeakPolarHBondContact O-CB 3.25Å; L246-P363 HydrophobicContact CB-CB 3.74Å; L246-P363 HydrophobicContact CB-CG 3.74Å; L246-P363 HydrophobicContact CD2-CG 4.33Å; A358-P363 WeakPolarHBondContact O-CD 3.28Å; P363-L366 HydrophobicContact CG-CB 3.82Å; P363-L366 HydrophobicContact CG-CD1 3.81Å; P363-L366 HydrophobicContact CG-CG 4.36Å; P363-N392 WeakPolarHBondContact O-CB 3.45Å; P363-N392 PolarHBondContact O-ND2 3.05Å
364	D	90.1	Very high	88.6	Confident	17 Å²	17	21.2 Å²	21.2	9%	0.091	11%	0.111	C	C	.	.	S	Bend	trans	-70.5	-36.7	179.8	-54.8	-40.2	0	0	0	111.4	V184 V243 R244 I393	V184-D364 HydrophobicContact CG1-CB 3.84Å; V243-D364 HydrophobicContact CG1-CB 4.22Å; R244-D364 WeakPolarHBondContact CB-OD2 3.49Å; R244-D364 IonicContact CZ-OD1 2.69Å; R244-D364 PolarHBondContact N-OD2 3.2Å; R244-D364 IonicContact NE-OD1 2.89Å; R244-D364 IonicContact NE-OD2 2.8Å; R244-D364 PolarHBondContact NE-OD2 3.38Å; R244-D364 IonicContact NH2-OD1 2.82Å; R244-D364 PolarHBondContact NH2-OD1 3Å; R244-D364 IonicContact NH2-OD2 3.23Å; R244-D364 PolarHBondContact O-N 3.01Å; D364-I393 PolarHBondContact O-N 3.34Å
365	L	92.1	Very high	88.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	111.7	169.8	176	63.1	0	0	0	109.6	I187 L209 V243 R244 V245 L246 L367 I393	I187-L365 HydrophobicContact CD1-CB 4.41Å; I187-L365 HydrophobicContact CD1-CD2 3.91Å; L209-L365 HydrophobicContact CD1-CD1 4Å; L209-L365 HydrophobicContact CD1-CD2 4.48Å; V243-L365 HydrophobicContact CG1-CB 4.2Å; R244-L365 PolarHBondContact O-N 3.33Å; R244-L365 VanDerWaalsContact O-N 3.1Å; V245-L365 WeakPolarHBondContact CA-O 3.36Å; V245-L365 HydrophobicContact CG1-CD2 4.06Å; V245-L365 HydrophobicContact CG1-CG 4.29Å; V245-L365 HydrophobicContact CG2-CB 4.26Å; V245-L365 HydrophobicContact CG2-CD2 4.03Å; L246-L365 PolarHBondContact N-O 2.82Å; L246-L365 VanDerWaalsContact N-O 3.07Å; L365-L367 HydrophobicContact CD1-CD2 3.83Å; L365-L367 HydrophobicContact CD2-CD2 3.95Å; L365-L367 HydrophobicContact CG-CD2 3.7Å; L365-L367 HydrophobicContact CG-CG 4.24Å; L365-I393 WeakPolarHBondContact CA-O 3.29Å; L365-I393 HydrophobicContact CD1-CB 3.89Å; L365-I393 HydrophobicContact CD1-CG2 3.49Å; L365-I393 VanDerWaalsContact CD1-CG2 3.49Å
366	L	93.6	Very high	88	Confident	8 Å²	8	20.9 Å²	20.9	4%	0.042	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.7	174.4	-176.9	61.9	0	0	0	110.1	L246 A358 L359 P363 L368 L387 I393 L394 L395	L246-L366 HydrophobicContact CB-CD1 4.5Å; A358-L366 HydrophobicContact CB-CD1 3.91Å; L359-L366 HydrophobicContact CD2-CD2 4.06Å; P363-L366 HydrophobicContact CG-CB 3.82Å; P363-L366 HydrophobicContact CG-CD1 3.81Å; P363-L366 HydrophobicContact CG-CG 4.36Å; L366-L368 HydrophobicContact CD1-CD2 3.97Å; L366-L368 HydrophobicContact CD2-CD1 4.16Å; L366-L368 HydrophobicContact CD2-CD2 4.14Å; L366-L368 HydrophobicContact CD2-CG 4.18Å; L366-L368 HydrophobicContact CG-CD2 3.95Å; L366-L368 HydrophobicContact CG-CG 4Å; L366-L387 HydrophobicContact CD2-CD2 4.45Å; L366-I393 PolarHBondContact N-O 2.91Å; L366-L394 HydrophobicContact CB-CD2 3.68Å; L366-L394 HydrophobicContact CD2-CD2 3.85Å; L366-L394 HydrophobicContact CG-CD2 4.27Å; L366-L395 PolarHBondContact O-N 3.5Å
367	L	94.1	Very high	87.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.1	176.7	-52.8	-176.8	0	0	0	109.3	L229 L232 A233 V245 L246 H247 V248 L365 L395	L229-L367 HydrophobicContact CD2-CB 4.26Å; L229-L367 HydrophobicContact CD2-CD1 4.44Å; L229-L367 HydrophobicContact CD2-CD2 4.14Å; L232-L367 HydrophobicContact CB-CD1 3.78Å; L232-L367 HydrophobicContact CD1-CD2 4.48Å; A233-L367 HydrophobicContact CB-CD1 4.3Å; V245-L367 HydrophobicContact CG1-CD1 3.67Å; V245-L367 HydrophobicContact CG1-CG 4.01Å; L246-L367 PolarHBondContact O-N 2.83Å; H247-L367 WeakPolarHBondContact CA-O 3.49Å; H247-L367 HydrophobicContact CB-CB 4.11Å; H247-L367 HydrophobicContact CB-CD1 4.28Å; V248-L367 PolarHBondContact N-O 3.43Å; L365-L367 HydrophobicContact CD1-CD2 3.83Å; L365-L367 HydrophobicContact CD2-CD2 3.95Å; L365-L367 HydrophobicContact CG-CD2 3.7Å; L365-L367 HydrophobicContact CG-CG 4.24Å; L367-L395 WeakPolarHBondContact CA-O 3.46Å; L367-L395 HydrophobicContact CD2-CB 3.69Å; L367-L395 HydrophobicContact CD2-CD2 3.91Å; L367-L395 HydrophobicContact CD2-CG 4.27Å
368	L	92.7	Very high	87.4	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.8	178.8	-60.4	-179.4	0	0	0	109.7	V248 L355 L366 P371 L387 L395 I396 V397	V248-L368 HydrophobicContact CB-CD2 4.09Å; V248-L368 HydrophobicContact CG2-CD2 3.91Å; L355-L368 HydrophobicContact CD1-CD1 4.36Å; L355-L368 HydrophobicContact CD1-CD2 3.73Å; L366-L368 HydrophobicContact CD1-CD2 3.97Å; L366-L368 HydrophobicContact CD2-CD1 4.16Å; L366-L368 HydrophobicContact CD2-CD2 4.14Å; L366-L368 HydrophobicContact CD2-CG 4.18Å; L366-L368 HydrophobicContact CG-CD2 3.95Å; L366-L368 HydrophobicContact CG-CG 4Å; L368-P371 HydrophobicContact CB-CB 4.14Å; L368-P371 HydrophobicContact CB-CG 3.89Å; L368-P371 HydrophobicContact CD1-CB 4.27Å; L368-P371 HydrophobicContact CD1-CG 4.17Å; L368-L387 HydrophobicContact CD1-CD1 4.13Å; L368-L387 HydrophobicContact CD1-CD2 4.11Å; L368-L395 PolarHBondContact N-O 3.08Å; L368-I396 HydrophobicContact CB-CG1 4.38Å; L368-I396 HydrophobicContact CB-CG2 4.18Å; L368-I396 HydrophobicContact CD1-CG1 4.26Å; L368-I396 WeakPolarHBondContact O-CA 3.38Å; L368-V397 PolarHBondContact O-N 3.31Å
369	D	90.1	Very high	87.3	Confident	31 Å²	31	19.9 Å²	19.9	17%	0.166	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	104.5	175.9	-158.3	11.8	0	0	0	111	T226 L229 V248 V397	T226-D369 WeakPolarHBondContact CB-OD2 3.47Å; T226-D369 WeakPolarHBondContact CG2-OD2 3.46Å; T226-D369 PolarHBondContact OG1-OD2 3.4Å; L229-D369 HydrophobicContact CD1-CB 3.74Å; V248-D369 PolarHBondContact O-N 3.35Å; D369-V397 WeakPolarHBondContact OD1-CB 3.36Å; D369-V397 WeakPolarHBondContact OD1-CG1 3.42Å
370	E	86.7	Confident	87.2	Confident	23 Å²	23	20 Å²	20	11%	0.107	10%	0.103	C	C	.	.	S	Bend	trans	48.7	57.5	-178	-59.5	-71	161	0	0	113.9	K225 T372 N373 V397 S398 H399	K225-E370 IonicContact NZ-OE1 3.32Å; E370-T372 PolarHBondContact O-N 3.24Å; E370-T372 VanDerWaalsContact O-N 3.14Å; E370-N373 WeakPolarHBondContact CB-ND2 3.31Å; E370-N373 WeakPolarHBondContact O-CB 3.45Å; E370-N373 PolarHBondContact O-N 3.39Å; E370-N373 VanDerWaalsContact O-N 3.11Å; E370-V397 WeakPolarHBondContact CA-O 3.43Å; E370-V397 HydrophobicContact CG-CG1 4.12Å; E370-V397 PolarHBondContact N-O 3.3Å; E370-V397 WeakPolarHBondContact OE1-CG1 3.38Å; E370-S398 WeakPolarHBondContact OE1-CA 3.42Å; E370-S398 VanDerWaalsContact OE2-CA 3.29Å; E370-S398 WeakPolarHBondContact OE2-CA 3.49Å; E370-H399 VanDerWaalsContact CD-CD2 3.43Å; E370-H399 IonicContact OE1-CD2 2.76Å; E370-H399 PolarHBondContact OE1-CD2 3.4Å; E370-H399 IonicContact OE1-CG 2.77Å; E370-H399 PolarHBondContact OE1-N 3.44Å; E370-H399 IonicContact OE1-NE2 2.66Å; E370-H399 PolarHBondContact OE1-NE2 2.92Å; E370-H399 IonicContact OE2-CD2 2.93Å; E370-H399 PolarHBondContact OE2-N 3.42Å
371	P	87.5	Confident	87.1	Confident	16 Å²	16	19.2 Å²	19.2	10%	0.104	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.5	-173	29.8	-37	0	0	0	113.8	L355 L368 N373 L375 L383 I396 V397 F403	L355-P371 HydrophobicContact CD1-CB 4.38Å; L368-P371 HydrophobicContact CB-CB 4.14Å; L368-P371 HydrophobicContact CB-CG 3.89Å; L368-P371 HydrophobicContact CD1-CB 4.27Å; L368-P371 HydrophobicContact CD1-CG 4.17Å; P371-N373 VanDerWaalsContact C-N 3.27Å; P371-L375 WeakPolarHBondContact O-CD1 3.45Å; P371-L375 VanDerWaalsContact O-CG 3.26Å; P371-L375 WeakPolarHBondContact O-CG 3.43Å; P371-L383 HydrophobicContact CB-CD2 4.22Å; P371-I396 HydrophobicContact CG-CG2 3.82Å; P371-V397 WeakPolarHBondContact CD-O 3.39Å; P371-F403 HydrophobicContact CG-CE1 4.35Å; P371-F403 HydrophobicContact CG-CZ 4.37Å
372	T	84.9	Confident	87.3	Confident	14 Å²	14	19 Å²	19	9%	0.086	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.2	177.3	50.9	0	0	0	0	112.4	E370 M374 L375 D400 F403	E370-T372 PolarHBondContact O-N 3.24Å; E370-T372 VanDerWaalsContact O-N 3.14Å; T372-M374 PolarHBondContact O-N 2.92Å; T372-L375 PolarHBondContact O-N 3.01Å; T372-D400 HydrophobicContact CG2-CB 4.46Å; T372-F403 HydrophobicContact CG2-CB 4.09Å; T372-F403 HydrophobicContact CG2-CD1 3.91Å; T372-F403 HydrophobicContact CG2-CD2 3.71Å; T372-F403 HydrophobicContact CG2-CE1 4.24Å; T372-F403 HydrophobicContact CG2-CE2 4.06Å; T372-F403 HydrophobicContact CG2-CG 3.62Å; T372-F403 HydrophobicContact CG2-CZ 4.29Å
373	N	79.5	Confident	87.6	Confident	44 Å²	44	13.8 Å²	13.8	24%	0.235	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	135.3	177.9	-70	-16.5	0	0	0	110.5	E370 P371 L375	E370-N373 WeakPolarHBondContact CB-ND2 3.31Å; E370-N373 WeakPolarHBondContact O-CB 3.45Å; E370-N373 PolarHBondContact O-N 3.39Å; E370-N373 VanDerWaalsContact O-N 3.11Å; P371-N373 VanDerWaalsContact C-N 3.27Å; N373-L375 PolarHBondContact O-N 3.46Å; N373-L375 VanDerWaalsContact O-N 3.08Å
374	M	73	Confident	87.8	Confident	66 Å²	66	13.6 Å²	13.6	33%	0.325	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	5.3	-179.5	-44.7	-175	174.4	0	0	115.5	G348 R352 T372 N543	G348-M374 VanDerWaalsContact CA-SD 3.56Å; R352-M374 PolarHBondContact NE-O 3Å; R352-M374 PolarHBondContact NH2-O 3.38Å; R352-M374 VanDerWaalsContact NH2-O 3.13Å; T372-M374 PolarHBondContact O-N 2.92Å; M374-N543 PolarHBondContact O-ND2 3.06Å
375	L	83.6	Confident	87.8	Confident	3 Å²	3	15.3 Å²	15.3	2%	0.016	8%	0.078	C	C	.	.			trans	-87.4	143.2	168.8	-64.1	-170.7	0	0	0	110.3	R352 L355 P371 T372 N373 A379 I380 L383 H681	R352-L375 HydrophobicContact CG-CD2 3.52Å; L355-L375 HydrophobicContact CD2-CD1 4.04Å; P371-L375 WeakPolarHBondContact O-CD1 3.45Å; P371-L375 VanDerWaalsContact O-CG 3.26Å; P371-L375 WeakPolarHBondContact O-CG 3.43Å; T372-L375 PolarHBondContact O-N 3.01Å; N373-L375 PolarHBondContact O-N 3.46Å; N373-L375 VanDerWaalsContact O-N 3.08Å; L375-A379 HydrophobicContact CB-CB 4.23Å; L375-A379 HydrophobicContact CD2-CB 4.19Å; L375-I380 HydrophobicContact CB-CD1 4.32Å; L375-I380 HydrophobicContact CB-CG1 3.69Å; L375-I380 HydrophobicContact CD1-CG1 4.42Å; L375-L383 HydrophobicContact CD1-CD2 3.67Å; L375-H681 PolarHBondContact O-CD2 3.05Å; L375-H681 VanDerWaalsContact O-CG 3.29Å; L375-H681 PolarHBondContact O-NE2 3.48Å
376	D	83.7	Confident	87.8	Confident	6 Å²	6	17.7 Å²	17.7	3%	0.032	9%	0.087	C	C	.	.			trans	-83.9	165	169.6	51.6	48.9	0	0	0	110.8	R352 R378 A379 I380 N543 H681	R352-D376 IonicContact CZ-OD2 3.9Å; R352-D376 IonicContact NH1-OD2 2.64Å; R352-D376 PolarHBondContact NH1-OD2 3.34Å; R352-D376 IonicContact NH2-OD2 2.87Å; R352-D376 PolarHBondContact NH2-OD2 3.1Å; D376-R378 PolarHBondContact O-N 2.89Å; D376-R378 VanDerWaalsContact O-N 3.17Å; D376-R378 PolarHBondContact OD1-N 3.37Å; D376-A379 PolarHBondContact O-N 3.14Å; D376-A379 VanDerWaalsContact OD1-CB 3.24Å; D376-A379 WeakPolarHBondContact OD1-CB 3.35Å; D376-A379 PolarHBondContact OD1-N 3.19Å; D376-I380 WeakPolarHBondContact O-CG1 3.37Å; D376-I380 PolarHBondContact O-N 2.92Å; D376-N543 WeakPolarHBondContact OD2-CB 3.37Å; D376-N543 PolarHBondContact OD2-N 3Å; D376-H681 WeakPolarHBondContact CA-CE1 3.32Å; D376-H681 WeakPolarHBondContact CA-NE2 3.4Å
377	M	83.2	Confident	87.7	Confident	4 Å²	4	17.4 Å²	17.4	2%	0.02	9%	0.086	C	C	.	.	H	α-helix	trans	-57.5	-33.3	-177.8	-165.9	167.2	-73.1	0	0	112.9	I380 I381 H681 E683 I686 L719 Y722 K723	M377-I380 PolarHBondContact O-N 3.37Å; M377-I381 HydrophobicContact CG-CD1 4.15Å; M377-I381 WeakPolarHBondContact O-CD1 3.48Å; M377-I381 VanDerWaalsContact O-CG1 3.23Å; M377-I381 WeakPolarHBondContact O-CG1 3.5Å; M377-I381 PolarHBondContact O-N 2.7Å; M377-H681 PolarHBondContact N-ND1 3.38Å; M377-E683 HydrophobicContact CE-CG 4.39Å; M377-I686 HydrophobicContact CE-CD1 4.21Å; M377-L719 HydrophobicContact CE-CD1 3.76Å; M377-L719 HydrophobicContact SD-CD1 3.65Å; M377-Y722 HydrophobicContact CB-CE1 4.09Å; M377-Y722 HydrophobicContact CG-CE1 4.17Å; M377-Y722 HydrophobicContact SD-CD1 3.59Å; M377-Y722 VanDerWaalsContact SD-CD1 3.59Å; M377-Y722 HydrophobicContact SD-CE1 3.67Å; M377-K723 HydrophobicContact SD-CG 4.3Å
378	R	86.1	Confident	87.6	Confident	18 Å²	18	21.3 Å²	21.3	7%	0.068	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-49.4	174.3	176.7	179.3	179.1	153.7	13.1	111.5	D376 I380 I381 W382 E542 V726 E729 L730	D376-R378 PolarHBondContact O-N 2.89Å; D376-R378 VanDerWaalsContact O-N 3.17Å; D376-R378 PolarHBondContact OD1-N 3.37Å; R378-I380 VanDerWaalsContact C-N 3.33Å; R378-I381 PolarHBondContact O-N 3.37Å; R378-W382 PolarHBondContact O-N 3.01Å; R378-E542 WeakPolarHBondContact CD-OE1 3.33Å; R378-E542 IonicContact CZ-OE1 2.71Å; R378-E542 IonicContact NE-OE1 3.23Å; R378-E542 IonicContact NH1-OE1 3.61Å; R378-E542 PolarHBondContact NH1-OE1 3.45Å; R378-V726 HydrophobicContact CB-CG1 3.94Å; R378-V726 HydrophobicContact CG-CG1 3.96Å; R378-E729 IonicContact CZ-OE1 3Å; R378-E729 VanDerWaalsContact CZ-OE1 3.23Å; R378-E729 IonicContact NH1-OE1 2.86Å; R378-E729 PolarHBondContact NH1-OE1 2.88Å; R378-E729 IonicContact NH1-OE2 2.69Å; R378-E729 IonicContact NH2-OE1 2.72Å; R378-E729 PolarHBondContact NH2-OE1 3.23Å; R378-L730 HydrophobicContact CG-CD2 4.33Å
379	A	88.8	Confident	87.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-35.9	177.4	0	0	0	0	0	112.2	L375 D376 W382 L383	L375-A379 HydrophobicContact CB-CB 4.23Å; L375-A379 HydrophobicContact CD2-CB 4.19Å; D376-A379 PolarHBondContact O-N 3.14Å; D376-A379 VanDerWaalsContact OD1-CB 3.24Å; D376-A379 WeakPolarHBondContact OD1-CB 3.35Å; D376-A379 PolarHBondContact OD1-N 3.19Å; A379-W382 PolarHBondContact O-N 3.47Å; A379-L383 WeakPolarHBondContact O-CB 3.41Å; A379-L383 PolarHBondContact O-N 3.23Å
380	I	89.4	Confident	87.3	Confident	8 Å²	8	25.4 Å²	25.4	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-51.4	175.7	-67.2	168.3	0	0	0	110.4	L375 D376 M377 R378 W382 L383 E384 F403 H681	L375-I380 HydrophobicContact CB-CD1 4.32Å; L375-I380 HydrophobicContact CB-CG1 3.69Å; L375-I380 HydrophobicContact CD1-CG1 4.42Å; D376-I380 WeakPolarHBondContact O-CG1 3.37Å; D376-I380 PolarHBondContact O-N 2.92Å; M377-I380 PolarHBondContact O-N 3.37Å; R378-I380 VanDerWaalsContact C-N 3.33Å; I380-W382 VanDerWaalsContact C-N 3.28Å; I380-W382 PolarHBondContact O-N 3.42Å; I380-L383 WeakPolarHBondContact O-CB 3.36Å; I380-L383 PolarHBondContact O-N 3.17Å; I380-L383 VanDerWaalsContact O-N 3.08Å; I380-E384 HydrophobicContact CG2-CG 4.4Å; I380-E384 WeakPolarHBondContact O-CG 3.46Å; I380-E384 PolarHBondContact O-N 3.31Å; I380-F403 HydrophobicContact CG2-CD2 4.18Å; I380-H681 HydrophobicContact CD1-CB 3.83Å
381	I	89	Confident	87.3	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-41.8	178.8	-68.3	165.4	0	0	0	110.8	M377 R378 D385 K723 V726 R727 L730	M377-I381 HydrophobicContact CG-CD1 4.15Å; M377-I381 WeakPolarHBondContact O-CD1 3.48Å; M377-I381 VanDerWaalsContact O-CG1 3.23Å; M377-I381 WeakPolarHBondContact O-CG1 3.5Å; M377-I381 PolarHBondContact O-N 2.7Å; R378-I381 PolarHBondContact O-N 3.37Å; I381-D385 PolarHBondContact O-N 3.45Å; I381-K723 HydrophobicContact CD1-CB 4.42Å; I381-K723 HydrophobicContact CD1-CG 4.23Å; I381-V726 HydrophobicContact CD1-CB 4.31Å; I381-V726 HydrophobicContact CD1-CG1 3.94Å; I381-R727 HydrophobicContact CG2-CG 3.8Å; I381-L730 HydrophobicContact CB-CD1 4.36Å; I381-L730 HydrophobicContact CG2-CD1 3.92Å
382	W	91.4	Very high	87.4	Confident	21 Å²	21	27.9 Å²	27.9	8%	0.08	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-41.9	175.7	179.3	89.6	0	0	0	112.3	V327 L331 L359 R378 A379 I380 D385 Y386 L730	V327-W382 HydrophobicContact CB-CH2 4.21Å; V327-W382 HydrophobicContact CG1-CH2 3.96Å; V327-W382 HydrophobicContact CG2-CH2 4.27Å; V327-W382 HydrophobicContact CG2-CZ2 4.46Å; L331-W382 HydrophobicContact CD1-CZ3 4.39Å; L331-W382 HydrophobicContact CD2-CE3 3.91Å; L331-W382 HydrophobicContact CD2-CZ3 3.78Å; L331-W382 HydrophobicContact CG-CE3 4.09Å; L331-W382 HydrophobicContact CG-CZ3 3.72Å; L359-W382 HydrophobicContact CD1-CH2 4.1Å; L359-W382 HydrophobicContact CD1-CZ3 3.82Å; R378-W382 PolarHBondContact O-N 3.01Å; A379-W382 PolarHBondContact O-N 3.47Å; I380-W382 VanDerWaalsContact C-N 3.28Å; I380-W382 PolarHBondContact O-N 3.42Å; W382-D385 PolarHBondContact O-N 2.98Å; W382-Y386 AromaticContact CH2-CD2 3.56Å; W382-Y386 HydrophobicContact CH2-CD2 3.56Å; W382-Y386 HydrophobicContact CH2-CE2 4.08Å; W382-Y386 AromaticContact CH2-CG 3.85Å; W382-Y386 HydrophobicContact CH2-CG 3.85Å; W382-Y386 AromaticContact CZ2-CD2 3.54Å; W382-Y386 HydrophobicContact CZ2-CD2 3.54Å; W382-Y386 HydrophobicContact CZ2-CE2 4.15Å; W382-Y386 HydrophobicContact CZ2-CG 4.17Å; W382-Y386 HydrophobicContact CZ3-CD2 4.43Å; W382-Y386 HydrophobicContact CZ3-CG 4.3Å; W382-Y386 WeakPolarHBondContact O-CB 3.1Å; W382-Y386 PolarHBondContact O-N 2.94Å; W382-L730 HydrophobicContact CB-CD1 4.07Å; W382-L730 HydrophobicContact CB-CD2 4.33Å
383	L	91.9	Very high	87.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-40.6	179	-178.7	66.1	0	0	0	111.4	L355 L359 P371 L375 A379 I380 Y386 L387 F403	L355-L383 HydrophobicContact CD2-CD1 4.16Å; L355-L383 HydrophobicContact CD2-CD2 4.04Å; L359-L383 HydrophobicContact CD1-CD1 3.75Å; L359-L383 HydrophobicContact CD2-CD1 4.34Å; P371-L383 HydrophobicContact CB-CD2 4.22Å; L375-L383 HydrophobicContact CD1-CD2 3.67Å; A379-L383 WeakPolarHBondContact O-CB 3.41Å; A379-L383 PolarHBondContact O-N 3.23Å; I380-L383 WeakPolarHBondContact O-CB 3.36Å; I380-L383 PolarHBondContact O-N 3.17Å; I380-L383 VanDerWaalsContact O-N 3.08Å; L383-Y386 PolarHBondContact O-N 3.32Å; L383-L387 HydrophobicContact CD1-CD1 3.93Å; L383-L387 HydrophobicContact CD1-CD2 4.34Å; L383-L387 HydrophobicContact CD1-CG 3.9Å; L383-L387 HydrophobicContact CD2-CD1 4.34Å; L383-L387 HydrophobicContact CG-CD1 3.78Å; L383-L387 HydrophobicContact CG-CG 4.15Å; L383-L387 WeakPolarHBondContact O-CB 3.46Å; L383-L387 VanDerWaalsContact O-CG 3.26Å; L383-L387 WeakPolarHBondContact O-CG 3.46Å; L383-L387 PolarHBondContact O-N 3.04Å; L383-F403 HydrophobicContact CD2-CE2 4.15Å; L383-F403 HydrophobicContact CD2-CZ 4.21Å; L383-F403 HydrophobicContact CG-CE2 4.34Å
384	E	92.1	Very high	88.5	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-55.3	-54.5	174.1	-73.8	180	157.7	0	0	111.1	I380 Y386 L387 Q388 F403 T406 V407	I380-E384 HydrophobicContact CG2-CG 4.4Å; I380-E384 WeakPolarHBondContact O-CG 3.46Å; I380-E384 PolarHBondContact O-N 3.31Å; E384-Y386 VanDerWaalsContact C-N 3.29Å; E384-Y386 PolarHBondContact O-N 3.18Å; E384-L387 PolarHBondContact O-N 2.82Å; E384-Q388 WeakPolarHBondContact O-CB 3.41Å; E384-Q388 WeakPolarHBondContact O-CG 3.28Å; E384-Q388 PolarHBondContact O-N 3.13Å; E384-F403 HydrophobicContact CG-CD2 3.52Å; E384-F403 HydrophobicContact CG-CE2 3.78Å; E384-T406 HydrophobicContact CB-CG2 3.97Å; E384-T406 HydrophobicContact CG-CG2 4.13Å; E384-V407 HydrophobicContact CB-CG2 4.25Å; E384-V407 HydrophobicContact CG-CG2 4.11Å
385	D	91.1	Very high	89.6	Confident	53 Å²	53	22.1 Å²	22.1	28%	0.283	12%	0.124	S	C	.	.	H	α-helix	trans	-57	-43.7	177.2	-83.4	7.3	0	0	0	111.5	I381 W382 S389 K734	I381-D385 PolarHBondContact O-N 3.45Å; W382-D385 PolarHBondContact O-N 2.98Å; D385-S389 PolarHBondContact O-N 2.78Å; D385-K734 IonicContact OD2-NZ 3.42Å; D385-K734 PolarHBondContact OD2-NZ 2.75Å
386	Y	91.3	Very high	90.1	Very high	51 Å²	51	22.1 Å²	22.1	20%	0.2	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-48.2	-178.7	-169.2	-84.2	0	0	0	111.6	V327 L359 W382 L383 E384 Q388 S389 S390	V327-Y386 HydrophobicContact CG2-CE2 4.03Å; L359-Y386 HydrophobicContact CB-CD1 4.47Å; L359-Y386 HydrophobicContact CB-CE1 3.8Å; L359-Y386 HydrophobicContact CD1-CD1 4.16Å; L359-Y386 HydrophobicContact CD1-CE1 4.3Å; L359-Y386 HydrophobicContact CD2-CD1 3.85Å; L359-Y386 HydrophobicContact CD2-CE1 3.8Å; L359-Y386 HydrophobicContact CG-CD1 4.38Å; L359-Y386 HydrophobicContact CG-CE1 4.17Å; L359-Y386 PolarHBondContact O-OH 3.14Å; W382-Y386 AromaticContact CH2-CD2 3.56Å; W382-Y386 HydrophobicContact CH2-CD2 3.56Å; W382-Y386 HydrophobicContact CH2-CE2 4.08Å; W382-Y386 AromaticContact CH2-CG 3.85Å; W382-Y386 HydrophobicContact CH2-CG 3.85Å; W382-Y386 AromaticContact CZ2-CD2 3.54Å; W382-Y386 HydrophobicContact CZ2-CD2 3.54Å; W382-Y386 HydrophobicContact CZ2-CE2 4.15Å; W382-Y386 HydrophobicContact CZ2-CG 4.17Å; W382-Y386 HydrophobicContact CZ3-CD2 4.43Å; W382-Y386 HydrophobicContact CZ3-CG 4.3Å; W382-Y386 WeakPolarHBondContact O-CB 3.1Å; W382-Y386 PolarHBondContact O-N 2.94Å; L383-Y386 PolarHBondContact O-N 3.32Å; E384-Y386 VanDerWaalsContact C-N 3.29Å; E384-Y386 PolarHBondContact O-N 3.18Å; Y386-Q388 VanDerWaalsContact C-N 3.34Å; Y386-Q388 PolarHBondContact O-N 2.89Å; Y386-S389 PolarHBondContact O-N 3.29Å; Y386-S389 VanDerWaalsContact O-N 3.16Å; Y386-S389 PolarHBondContact O-OG 3.27Å; Y386-S390 PolarHBondContact O-N 3.22Å
387	L	92.2	Very high	90.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-68.4	-32	-178.7	-67.1	176.5	0	0	0	112.4	R214 L359 L366 L368 L383 E384 S389 S390 L394 I396 F403 V407	R214-L387 WeakPolarHBondContact CD-O 3.45Å; L359-L387 HydrophobicContact CD2-CD2 3.76Å; L366-L387 HydrophobicContact CD2-CD2 4.45Å; L368-L387 HydrophobicContact CD1-CD1 4.13Å; L368-L387 HydrophobicContact CD1-CD2 4.11Å; L383-L387 HydrophobicContact CD1-CD1 3.93Å; L383-L387 HydrophobicContact CD1-CD2 4.34Å; L383-L387 HydrophobicContact CD1-CG 3.9Å; L383-L387 HydrophobicContact CD2-CD1 4.34Å; L383-L387 HydrophobicContact CG-CD1 3.78Å; L383-L387 HydrophobicContact CG-CG 4.15Å; L383-L387 WeakPolarHBondContact O-CB 3.46Å; L383-L387 VanDerWaalsContact O-CG 3.26Å; L383-L387 WeakPolarHBondContact O-CG 3.46Å; L383-L387 PolarHBondContact O-N 3.04Å; E384-L387 PolarHBondContact O-N 2.82Å; L387-S389 VanDerWaalsContact C-N 3.27Å; L387-S389 PolarHBondContact O-N 3.23Å; L387-S390 WeakPolarHBondContact O-CB 3.35Å; L387-S390 PolarHBondContact O-N 3.18Å; L387-L394 HydrophobicContact CB-CD1 4.05Å; L387-L394 HydrophobicContact CD2-CD1 3.95Å; L387-I396 HydrophobicContact CD1-CD1 3.97Å; L387-F403 HydrophobicContact CD1-CE2 4.38Å; L387-F403 HydrophobicContact CD1-CZ 3.69Å; L387-V407 HydrophobicContact CB-CG1 3.83Å; L387-V407 HydrophobicContact CB-CG2 4.5Å; L387-V407 HydrophobicContact CD1-CG1 4.26Å
388	Q	91.8	Very high	90.7	Very high	83 Å²	83	21.7 Å²	21.7	39%	0.388	12%	0.122	S	C	.	.	H	α-helix	trans	-62.1	-35.3	172	-78.4	-176.4	-10.5	0	0	112.6	E384 Y386 S390 T406	E384-Q388 WeakPolarHBondContact O-CB 3.41Å; E384-Q388 WeakPolarHBondContact O-CG 3.28Å; E384-Q388 PolarHBondContact O-N 3.13Å; Y386-Q388 VanDerWaalsContact C-N 3.34Å; Y386-Q388 PolarHBondContact O-N 2.89Å; Q388-S390 VanDerWaalsContact C-N 3.28Å; Q388-S390 PolarHBondContact O-N 3.41Å; Q388-T406 PolarHBondContact NE2-O 3.3Å
389	S	89.3	Confident	90.5	Very high	91 Å²	91	21.8 Å²	21.8	64%	0.636	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11	178.9	77.4	0	0	0	0	114.1	D385 Y386 L387	D385-S389 PolarHBondContact O-N 2.78Å; Y386-S389 PolarHBondContact O-N 3.29Å; Y386-S389 VanDerWaalsContact O-N 3.16Å; Y386-S389 PolarHBondContact O-OG 3.27Å; L387-S389 VanDerWaalsContact C-N 3.27Å; L387-S389 PolarHBondContact O-N 3.23Å
390	S	86.1	Confident	90.3	Very high	27 Å²	27	22.5 Å²	22.5	19%	0.189	13%	0.127	C	C	.	.			trans	-73.9	134.1	-177.4	-171.4	0	0	0	0	112.2	Y386 L387 Q388 N392	Y386-S390 PolarHBondContact O-N 3.22Å; L387-S390 WeakPolarHBondContact O-CB 3.35Å; L387-S390 PolarHBondContact O-N 3.18Å; Q388-S390 VanDerWaalsContact C-N 3.28Å; Q388-S390 PolarHBondContact O-N 3.41Å; S390-N392 PolarHBondContact OG-N 2.65Å
391	S	87	Confident	90.1	Very high	73 Å²	73	24.1 Å²	24.1	51%	0.51	13%	0.132	S	C	.	.			trans	-90.5	-4.6	176.4	54.1	0	0	0	0	114.2	Y211 G212	Y211-S391 WeakPolarHBondContact CE1-O 3.34Å; G212-S391 VanDerWaalsContact CA-O 3.28Å; G212-S391 WeakPolarHBondContact CA-O 3.45Å; G212-S391 PolarHBondContact N-O 3.42Å
392	N	89.9	Confident	90	Very high	18 Å²	18	24.9 Å²	24.9	10%	0.096	14%	0.138	C	C	.	.	S	Bend	trans	-90.7	170.5	-169.7	-56.2	2.9	0	0	0	110.3	K362 P363 S390 L394	K362-N392 PolarHBondContact O-ND2 3.47Å; P363-N392 WeakPolarHBondContact O-CB 3.45Å; P363-N392 PolarHBondContact O-ND2 3.05Å; S390-N392 PolarHBondContact OG-N 2.65Å; N392-L394 PolarHBondContact O-N 3.23Å
393	I	93.7	Very high	89.9	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.1	174	-56.6	174.4	0	0	0	108	I187 L209 Y211 Y215 D364 L365 L366	I187-I393 HydrophobicContact CD1-CD1 3.99Å; I187-I393 HydrophobicContact CG1-CD1 4.25Å; L209-I393 HydrophobicContact CB-CG2 3.86Å; L209-I393 HydrophobicContact CD1-CG2 4.36Å; Y211-I393 HydrophobicContact CD2-CD1 4.39Å; Y211-I393 HydrophobicContact CD2-CG1 4.08Å; Y215-I393 HydrophobicContact CD2-CG2 4.4Å; Y215-I393 HydrophobicContact CE2-CG2 4.4Å; D364-I393 PolarHBondContact O-N 3.34Å; L365-I393 WeakPolarHBondContact CA-O 3.29Å; L365-I393 HydrophobicContact CD1-CB 3.89Å; L365-I393 HydrophobicContact CD1-CG2 3.49Å; L365-I393 VanDerWaalsContact CD1-CG2 3.49Å; L366-I393 PolarHBondContact N-O 2.91Å
394	L	94.3	Very high	89.9	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.7	174.4	-54.2	-173.2	0	0	0	109.7	K213 R214 Y215 L366 L387 N392 I396	K213-L394 PolarHBondContact O-N 3.45Å; R214-L394 HydrophobicContact CB-CB 4.25Å; R214-L394 HydrophobicContact CB-CD1 4.47Å; R214-L394 HydrophobicContact CG-CB 4.14Å; R214-L394 HydrophobicContact CG-CD1 3.76Å; R214-L394 HydrophobicContact CG-CG 4.04Å; Y215-L394 PolarHBondContact N-O 2.9Å; L366-L394 HydrophobicContact CB-CD2 3.68Å; L366-L394 HydrophobicContact CD2-CD2 3.85Å; L366-L394 HydrophobicContact CG-CD2 4.27Å; L387-L394 HydrophobicContact CB-CD1 4.05Å; L387-L394 HydrophobicContact CD2-CD1 3.95Å; N392-L394 PolarHBondContact O-N 3.23Å; L394-I396 HydrophobicContact CB-CD1 4.31Å; L394-I396 HydrophobicContact CB-CG1 4.29Å; L394-I396 HydrophobicContact CD1-CD1 4.38Å
395	L	94.6	Very high	89.9	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.5	166.7	-178.9	63.5	0	0	0	108.4	Y215 L217 L229 L232 L366 L367 L368 I412	Y215-L395 WeakPolarHBondContact O-CA 3.28Å; L217-L395 HydrophobicContact CB-CD1 4.09Å; L229-L395 HydrophobicContact CD2-CD2 3.62Å; L229-L395 HydrophobicContact CD2-CG 4Å; L232-L395 HydrophobicContact CD1-CD2 3.86Å; L366-L395 PolarHBondContact O-N 3.5Å; L367-L395 WeakPolarHBondContact CA-O 3.46Å; L367-L395 HydrophobicContact CD2-CB 3.69Å; L367-L395 HydrophobicContact CD2-CD2 3.91Å; L367-L395 HydrophobicContact CD2-CG 4.27Å; L368-L395 PolarHBondContact N-O 3.08Å; L395-I412 HydrophobicContact CD1-CD1 3.96Å
396	I	94.2	Very high	90	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.3	-170.7	-51.8	167.4	0	0	0	109	Y215 G216 L217 L368 P371 L387 L394 F403 V407	Y215-I396 PolarHBondContact O-N 3.11Å; G216-I396 CarbonylContact C-O 3.58Å; G216-I396 WeakPolarHBondContact CA-O 3.34Å; L217-I396 PolarHBondContact N-O 3.43Å; L368-I396 HydrophobicContact CB-CG1 4.38Å; L368-I396 HydrophobicContact CB-CG2 4.18Å; L368-I396 HydrophobicContact CD1-CG1 4.26Å; L368-I396 WeakPolarHBondContact O-CA 3.38Å; P371-I396 HydrophobicContact CG-CG2 3.82Å; L387-I396 HydrophobicContact CD1-CD1 3.97Å; L394-I396 HydrophobicContact CB-CD1 4.31Å; L394-I396 HydrophobicContact CB-CG1 4.29Å; L394-I396 HydrophobicContact CD1-CD1 4.38Å; I396-F403 HydrophobicContact CD1-CE1 4.5Å; I396-F403 HydrophobicContact CG2-CE1 3.95Å; I396-V407 HydrophobicContact CD1-CG1 3.67Å
397	V	92.2	Very high	90.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.7	165.7	175.7	0	0	0	0	107	L217 K225 L229 L368 D369 E370 P371	L217-V397 HydrophobicContact CB-CG2 3.79Å; L217-V397 HydrophobicContact CD2-CG2 3.63Å; L217-V397 HydrophobicContact CG-CG2 3.91Å; K225-V397 HydrophobicContact CB-CG1 4.22Å; K225-V397 HydrophobicContact CB-CG2 4.15Å; K225-V397 HydrophobicContact CD-CG1 3.92Å; L229-V397 HydrophobicContact CD1-CB 4.37Å; L229-V397 HydrophobicContact CD1-CG2 3.6Å; L229-V397 HydrophobicContact CD2-CG2 4.48Å; L229-V397 HydrophobicContact CG-CG2 4.14Å; L368-V397 PolarHBondContact O-N 3.31Å; D369-V397 WeakPolarHBondContact OD1-CB 3.36Å; D369-V397 WeakPolarHBondContact OD1-CG1 3.42Å; E370-V397 WeakPolarHBondContact CA-O 3.43Å; E370-V397 HydrophobicContact CG-CG1 4.12Å; E370-V397 PolarHBondContact N-O 3.3Å; E370-V397 WeakPolarHBondContact OE1-CG1 3.38Å; P371-V397 WeakPolarHBondContact CD-O 3.39Å
398	S	88.3	Confident	90.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	14%	0.139	C	C	.	.			trans	-150.3	144.2	173.9	-175.3	0	0	0	0	110.4	E370 D400 L404	E370-S398 WeakPolarHBondContact OE1-CA 3.42Å; E370-S398 VanDerWaalsContact OE2-CA 3.29Å; E370-S398 WeakPolarHBondContact OE2-CA 3.49Å; S398-D400 PolarHBondContact OG-N 3.18Å; S398-D400 VanDerWaalsContact OG-N 3.1Å; S398-L404 WeakPolarHBondContact O-CD1 3.48Å
399	H	81.4	Confident	90.3	Very high	19 Å²	19	21.5 Å²	21.5	9%	0.088	13%	0.133	C	C	.	.			trans	-92.1	-9.2	166.8	-72.9	-65.4	0	0	0	113.6	G219 N221 K225 E370 R401 V659	G219-H399 PolarHBondContact O-CE1 3.18Å; N221-H399 PolarHBondContact OD1-NE2 3.37Å; K225-H399 PolarHBondContact NZ-CE1 3.2Å; K225-H399 PolarHBondContact NZ-NE2 3.2Å; E370-H399 VanDerWaalsContact CD-CD2 3.43Å; E370-H399 IonicContact OE1-CD2 2.76Å; E370-H399 PolarHBondContact OE1-CD2 3.4Å; E370-H399 IonicContact OE1-CG 2.77Å; E370-H399 PolarHBondContact OE1-N 3.44Å; E370-H399 IonicContact OE1-NE2 2.66Å; E370-H399 PolarHBondContact OE1-NE2 2.92Å; E370-H399 IonicContact OE2-CD2 2.93Å; E370-H399 PolarHBondContact OE2-N 3.42Å; H399-R401 PolarHBondContact O-N 2.94Å; H399-V659 HydrophobicContact CB-CG2 4.16Å
400	D	84.2	Confident	90.6	Very high	16 Å²	16	17.8 Å²	17.8	9%	0.086	11%	0.106	C	C	.	.			trans	-79.7	110.4	-179.2	-175.7	-21.8	0	0	0	110.4	T372 S398 S402 F403 L404	T372-D400 HydrophobicContact CG2-CB 4.46Å; S398-D400 PolarHBondContact OG-N 3.18Å; S398-D400 VanDerWaalsContact OG-N 3.1Å; D400-S402 WeakPolarHBondContact OD1-CA 3.46Å; D400-S402 WeakPolarHBondContact OD1-CB 3.39Å; D400-S402 PolarHBondContact OD1-N 3.05Å; D400-S402 PolarHBondContact OD1-OG 2.98Å; D400-F403 HydrophobicContact CB-CB 3.77Å; D400-F403 PolarHBondContact OD1-N 3.4Å; D400-L404 WeakPolarHBondContact O-CB 3.4Å; D400-L404 WeakPolarHBondContact O-CG 3.19Å; D400-L404 PolarHBondContact O-N 2.96Å
401	R	86.4	Confident	91	Very high	41 Å²	41	16.5 Å²	16.5	16%	0.155	10%	0.097	C	C	.	.	H	α-helix	trans	-65.6	-39.1	180	-61.5	-174.6	-176.7	-153.3	7.4	112	H399 N405 Y426 E430 V659 R684	H399-R401 PolarHBondContact O-N 2.94Å; R401-N405 VanDerWaalsContact O-CB 3.3Å; R401-N405 WeakPolarHBondContact O-CB 3.47Å; R401-N405 PolarHBondContact O-N 3.45Å; R401-N405 PolarHBondContact O-ND2 2.97Å; R401-Y426 HydrophobicContact CB-CD1 4.12Å; R401-Y426 HydrophobicContact CB-CE1 4.25Å; R401-Y426 HydrophobicContact CG-CD1 4.02Å; R401-Y426 HydrophobicContact CG-CE1 3.64Å; R401-Y426 HydrophobicContact CG-CE2 4.4Å; R401-E430 IonicContact CZ-OE1 3.65Å; R401-E430 VanDerWaalsContact NH1-CD 3.29Å; R401-E430 IonicContact NH1-OE1 3.22Å; R401-E430 PolarHBondContact NH1-OE1 3.33Å; R401-E430 IonicContact NH1-OE2 3.71Å; R401-E430 PolarHBondContact NH1-OE2 3.24Å; R401-E430 IonicContact NH2-OE1 2.85Å; R401-V659 HydrophobicContact CG-CG1 4.15Å; R401-V659 VanDerWaalsContact NH2-CG1 3.32Å; R401-R684 VanDerWaalsContact CD-CZ 3.48Å
402	S	86.9	Confident	91.4	Very high	17 Å²	17	13.3 Å²	13.3	12%	0.119	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-49.1	178.4	9.8	0	0	0	0	110.4	D400 L404 N405 T406	D400-S402 WeakPolarHBondContact OD1-CA 3.46Å; D400-S402 WeakPolarHBondContact OD1-CB 3.39Å; D400-S402 PolarHBondContact OD1-N 3.05Å; D400-S402 PolarHBondContact OD1-OG 2.98Å; S402-L404 PolarHBondContact O-N 2.77Å; S402-N405 WeakPolarHBondContact O-CB 3.45Å; S402-N405 PolarHBondContact O-N 2.77Å; S402-T406 PolarHBondContact O-N 3.22Å; S402-T406 VanDerWaalsContact O-N 3.07Å; S402-T406 PolarHBondContact O-OG1 2.82Å; S402-T406 VanDerWaalsContact O-OG1 3.13Å
403	F	89.8	Confident	91.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-47.1	179.2	-179.6	-98.8	0	0	0	112.2	P371 T372 I380 L383 E384 L387 I396 D400 N405 T406 V407	P371-F403 HydrophobicContact CG-CE1 4.35Å; P371-F403 HydrophobicContact CG-CZ 4.37Å; T372-F403 HydrophobicContact CG2-CB 4.09Å; T372-F403 HydrophobicContact CG2-CD1 3.91Å; T372-F403 HydrophobicContact CG2-CD2 3.71Å; T372-F403 HydrophobicContact CG2-CE1 4.24Å; T372-F403 HydrophobicContact CG2-CE2 4.06Å; T372-F403 HydrophobicContact CG2-CG 3.62Å; T372-F403 HydrophobicContact CG2-CZ 4.29Å; I380-F403 HydrophobicContact CG2-CD2 4.18Å; L383-F403 HydrophobicContact CD2-CE2 4.15Å; L383-F403 HydrophobicContact CD2-CZ 4.21Å; L383-F403 HydrophobicContact CG-CE2 4.34Å; E384-F403 HydrophobicContact CG-CD2 3.52Å; E384-F403 HydrophobicContact CG-CE2 3.78Å; L387-F403 HydrophobicContact CD1-CE2 4.38Å; L387-F403 HydrophobicContact CD1-CZ 3.69Å; I396-F403 HydrophobicContact CD1-CE1 4.5Å; I396-F403 HydrophobicContact CG2-CE1 3.95Å; D400-F403 HydrophobicContact CB-CB 3.77Å; D400-F403 PolarHBondContact OD1-N 3.4Å; F403-N405 VanDerWaalsContact C-N 3.3Å; F403-N405 PolarHBondContact O-N 2.95Å; F403-T406 PolarHBondContact O-N 2.85Å; F403-V407 HydrophobicContact CD2-CG2 4.27Å; F403-V407 HydrophobicContact CE1-CG2 4.4Å; F403-V407 HydrophobicContact CE2-CG2 3.95Å; F403-V407 HydrophobicContact CZ-CG2 4.03Å; F403-V407 PolarHBondContact O-N 2.88Å
404	L	91.5	Very high	91.3	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-63.8	-35.6	176.4	-72.9	178.8	0	0	0	112.5	V218 S398 D400 S402 T406 A408 Y426	V218-L404 HydrophobicContact CG1-CD1 3.4Å; V218-L404 VanDerWaalsContact CG1-CD1 3.4Å; S398-L404 WeakPolarHBondContact O-CD1 3.48Å; D400-L404 WeakPolarHBondContact O-CB 3.4Å; D400-L404 WeakPolarHBondContact O-CG 3.19Å; D400-L404 PolarHBondContact O-N 2.96Å; S402-L404 PolarHBondContact O-N 2.77Å; L404-T406 VanDerWaalsContact C-N 3.3Å; L404-T406 PolarHBondContact O-N 2.95Å; L404-A408 HydrophobicContact CD2-CB 4.42Å; L404-A408 WeakPolarHBondContact O-CB 3.29Å; L404-A408 PolarHBondContact O-N 2.88Å; L404-Y426 HydrophobicContact CB-CD2 4.44Å; L404-Y426 HydrophobicContact CD1-CD2 3.83Å; L404-Y426 HydrophobicContact CD1-CE2 4.43Å
405	N	92.5	Very high	90.8	Very high	35 Å²	35	13.9 Å²	13.9	19%	0.187	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-35.9	175.8	-88	-29.2	0	0	0	113	R401 S402 F403 Y426 D427	R401-N405 VanDerWaalsContact O-CB 3.3Å; R401-N405 WeakPolarHBondContact O-CB 3.47Å; R401-N405 PolarHBondContact O-N 3.45Å; R401-N405 PolarHBondContact O-ND2 2.97Å; S402-N405 WeakPolarHBondContact O-CB 3.45Å; S402-N405 PolarHBondContact O-N 2.77Å; F403-N405 VanDerWaalsContact C-N 3.3Å; F403-N405 PolarHBondContact O-N 2.95Å; N405-Y426 WeakPolarHBondContact OD1-CA 3.26Å; N405-Y426 VanDerWaalsContact OD1-CB 3.25Å; N405-Y426 WeakPolarHBondContact OD1-CB 3.19Å; N405-Y426 PolarHBondContact OD1-N 2.9Å; N405-D427 PolarHBondContact ND2-OD1 2.7Å; N405-D427 PolarHBondContact ND2-OD2 3.16Å; N405-D427 VanDerWaalsContact ND2-OD2 3.14Å; N405-D427 PolarHBondContact OD1-N 3.37Å
406	T	92.2	Very high	90	Very high	51 Å²	51	17 Å²	17	31%	0.313	10%	0.098	S	C	.	.	H	α-helix	trans	-77.5	-42.6	179.3	-58.2	0	0	0	0	111.9	E384 Q388 S402 F403 L404	E384-T406 HydrophobicContact CB-CG2 3.97Å; E384-T406 HydrophobicContact CG-CG2 4.13Å; Q388-T406 PolarHBondContact NE2-O 3.3Å; S402-T406 PolarHBondContact O-N 3.22Å; S402-T406 VanDerWaalsContact O-N 3.07Å; S402-T406 PolarHBondContact O-OG1 2.82Å; S402-T406 VanDerWaalsContact O-OG1 3.13Å; F403-T406 PolarHBondContact O-N 2.85Å; L404-T406 VanDerWaalsContact C-N 3.3Å; L404-T406 PolarHBondContact O-N 2.95Å
407	V	93.3	Very high	89.5	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-96.3	-41.4	-169.1	-179.7	0	0	0	0	113.4	R214 E384 L387 I396 F403	R214-V407 WeakPolarHBondContact CD-O 3.38Å; R214-V407 PolarHBondContact NE-O 2.78Å; E384-V407 HydrophobicContact CB-CG2 4.25Å; E384-V407 HydrophobicContact CG-CG2 4.11Å; L387-V407 HydrophobicContact CB-CG1 3.83Å; L387-V407 HydrophobicContact CB-CG2 4.5Å; L387-V407 HydrophobicContact CD1-CG1 4.26Å; I396-V407 HydrophobicContact CD1-CG1 3.67Å; F403-V407 HydrophobicContact CD2-CG2 4.27Å; F403-V407 HydrophobicContact CE1-CG2 4.4Å; F403-V407 HydrophobicContact CE2-CG2 3.95Å; F403-V407 HydrophobicContact CZ-CG2 4.03Å; F403-V407 PolarHBondContact O-N 2.88Å
408	A	93.8	Very high	89.4	Confident	11 Å²	11	29.5 Å²	29.5	9%	0.091	15%	0.147	C	C	.	.			trans	-78.3	137.3	-168.2	0	0	0	0	0	112.9	L404 I411	L404-A408 HydrophobicContact CD2-CB 4.42Å; L404-A408 WeakPolarHBondContact O-CB 3.29Å; L404-A408 PolarHBondContact O-N 2.88Å; A408-I411 HydrophobicContact CB-CD1 3.76Å
409	T	94.2	Very high	89.5	Confident	43 Å²	43	30.4 Å²	30.4	26%	0.264	15%	0.152	S	C	.	.	S	Bend	trans	-95.4	-28.3	171.3	60.8	0	0	0	0	112.4	R214 G424	R214-T409 HydrophobicContact CB-CG2 4.34Å; R214-T409 PolarHBondContact N-OG1 3.22Å; R214-T409 PolarHBondContact O-N 3.41Å; R214-T409 PolarHBondContact O-OG1 3.47Å; R214-T409 VanDerWaalsContact O-OG1 3.1Å; T409-G424 CarbonylContact C-O 3.56Å; T409-G424 CarbonylContact O-C 3.59Å; T409-G424 WeakPolarHBondContact O-CA 3.02Å; T409-G424 PolarHBondContact O-N 3.28Å; T409-G424 VanDerWaalsContact O-O 3.1Å
410	D	95.2	Very high	90	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.2	-178.5	-59.9	-108.8	0	0	0	108.4	K213 R214 Y215 G216 Y422 G424	K213-D410 WeakPolarHBondContact CD-OD2 3.42Å; K213-D410 VanDerWaalsContact NZ-CG 3.27Å; K213-D410 IonicContact NZ-OD1 3.62Å; K213-D410 PolarHBondContact NZ-OD1 2.86Å; K213-D410 IonicContact NZ-OD2 4Å; K213-D410 PolarHBondContact NZ-OD2 2.68Å; R214-D410 PolarHBondContact O-N 2.94Å; Y215-D410 CarbonylContact C-O 3.49Å; Y215-D410 VanDerWaalsContact CA-O 3.3Å; Y215-D410 WeakPolarHBondContact CA-O 3.16Å; Y215-D410 HydrophobicContact CD1-CB 3.73Å; Y215-D410 HydrophobicContact CE1-CB 3.8Å; G216-D410 PolarHBondContact N-O 2.92Å; D410-Y422 CarbonylContact C-O 3.49Å; D410-Y422 WeakPolarHBondContact CA-O 3.47Å; D410-G424 WeakPolarHBondContact CA-O 3.48Å; D410-G424 PolarHBondContact N-O 2.81Å
411	I	95.8	Very high	90.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.2	179.3	-61.8	-63.5	0	0	0	109.4	G216 V218 A408 Y422 F429	G216-I411 CarbonylContact O-C 3.57Å; G216-I411 WeakPolarHBondContact O-CA 3.35Å; V218-I411 HydrophobicContact CB-CG2 4.44Å; V218-I411 HydrophobicContact CG1-CG2 4.19Å; V218-I411 HydrophobicContact CG2-CG2 3.41Å; V218-I411 VanDerWaalsContact CG2-CG2 3.41Å; A408-I411 HydrophobicContact CB-CD1 3.76Å; I411-Y422 PolarHBondContact N-O 2.87Å; I411-Y422 PolarHBondContact O-N 3.34Å; I411-F429 HydrophobicContact CB-CB 3.94Å; I411-F429 HydrophobicContact CB-CD2 4.48Å; I411-F429 HydrophobicContact CB-CG 4.11Å; I411-F429 HydrophobicContact CG1-CB 3.95Å; I411-F429 HydrophobicContact CG1-CG 4.45Å; I411-F429 HydrophobicContact CG2-CB 4.09Å; I411-F429 HydrophobicContact CG2-CD1 3.92Å; I411-F429 HydrophobicContact CG2-CD2 3.98Å; I411-F429 HydrophobicContact CG2-CE1 4.36Å; I411-F429 HydrophobicContact CG2-CE2 4.41Å; I411-F429 HydrophobicContact CG2-CG 3.7Å
412	I	94.8	Very high	90.8	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.4	172.1	-57.7	172.2	0	0	0	107.1	L207 L209 Y215 G216 L217 V218 L395 L419	L207-I412 HydrophobicContact CD1-CD1 3.54Å; L209-I412 HydrophobicContact CD2-CD1 4.08Å; Y215-I412 HydrophobicContact CD1-CD1 3.75Å; Y215-I412 HydrophobicContact CD1-CG1 4.01Å; Y215-I412 HydrophobicContact CG-CD1 4.06Å; G216-I412 PolarHBondContact O-N 2.87Å; L217-I412 WeakPolarHBondContact CA-O 3.45Å; L217-I412 HydrophobicContact CD1-CB 4.09Å; L217-I412 HydrophobicContact CD1-CG2 3.84Å; L217-I412 WeakPolarHBondContact CD1-O 3.48Å; V218-I412 PolarHBondContact N-O 3.14Å; L395-I412 HydrophobicContact CD1-CD1 3.96Å; I412-L419 HydrophobicContact CG2-CB 4.21Å; I412-L419 HydrophobicContact CG2-CD2 3.96Å
413	H	92.5	Very high	91.1	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.046	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.4	178.4	-177.2	-142.9	0	0	0	110.1	V218 D420 Y422 F429	V218-H413 HydrophobicContact CG2-CB 4.15Å; V218-H413 WeakPolarHBondContact O-CA 3.42Å; H413-D420 PolarHBondContact N-O 2.82Å; H413-D420 PolarHBondContact O-N 3.27Å; H413-Y422 HydrophobicContact CB-CD2 4.27Å; H413-Y422 HydrophobicContact CB-CE2 3.9Å; H413-F429 HydrophobicContact CB-CE2 3.6Å; H413-F429 HydrophobicContact CB-CZ 3.89Å; H413-F429 AromaticContact CD2-CZ 3.87Å; H413-F429 AromaticContact CG-CE2 3.75Å; H413-F429 AromaticContact CG-CZ 3.66Å; H413-F429 AromaticContact ND1-CE2 3.97Å; H413-F429 AromaticContact ND1-CZ 4Å
414	L	90.1	Very high	91.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	107.4	174	-164.4	170.8	0	0	0	109	L202 L217 V218 F223 K225 R418 L419	L202-L414 HydrophobicContact CD2-CD1 4.39Å; L202-L414 HydrophobicContact CD2-CD2 4.32Å; L202-L414 HydrophobicContact CD2-CG 4.09Å; L217-L414 HydrophobicContact CD1-CB 4.14Å; V218-L414 PolarHBondContact O-N 3.08Å; F223-L414 HydrophobicContact CB-CD2 3.38Å; F223-L414 HydrophobicContact CD2-CD2 4.15Å; F223-L414 HydrophobicContact CG-CD2 4.16Å; K225-L414 HydrophobicContact CG-CD1 4.12Å; L414-R418 WeakPolarHBondContact CA-O 3.3Å; L414-L419 HydrophobicContact CB-CD2 3.84Å; L414-L419 HydrophobicContact CD1-CD2 4.1Å; L414-L419 HydrophobicContact CG-CD2 3.71Å
415	N	84	Confident	91.2	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.3	-177.9	-169.2	18	0	0	0	111.5	K417 R418 E488	N415-K417 VanDerWaalsContact C-N 3.3Å; N415-K417 PolarHBondContact O-N 3.11Å; N415-K417 VanDerWaalsContact O-N 3.08Å; N415-R418 PolarHBondContact N-O 3.1Å; N415-R418 VanDerWaalsContact N-O 3.07Å; N415-R418 WeakPolarHBondContact O-CA 3.39Å; N415-R418 PolarHBondContact O-N 2.96Å; N415-E488 PolarHBondContact ND2-OE2 3.24Å
416	C	77	Confident	91.1	Very high	67 Å²	67	46.8 Å²	46.8	45%	0.453	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.3	49.3	173.3	-68.2	0	0	0	0	115.3	R418 E488	C416-R418 VanDerWaalsContact C-N 3.27Å; C416-R418 PolarHBondContact O-N 3.26Å; C416-E488 PolarHBondContact SG-OE1 3.04Å
417	K	84.3	Confident	91.1	Very high	93 Å²	93	47.5 Å²	47.5	40%	0.404	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	15.6	-179	-47.7	173.4	-179.8	177.3	0	115.9	V200 L201 L202 Q203 N415	V200-K417 HydrophobicContact CB-CD 4.41Å; V200-K417 HydrophobicContact CG1-CD 4.16Å; V200-K417 WeakPolarHBondContact O-CE 3.38Å; L201-K417 VanDerWaalsContact O-CA 3.26Å; L201-K417 WeakPolarHBondContact O-CA 3.48Å; L202-K417 CarbonylContact C-O 3.49Å; L202-K417 WeakPolarHBondContact CA-O 3.38Å; Q203-K417 HydrophobicContact CB-CB 4.23Å; Q203-K417 PolarHBondContact N-O 3.14Å; N415-K417 VanDerWaalsContact C-N 3.3Å; N415-K417 PolarHBondContact O-N 3.11Å; N415-K417 VanDerWaalsContact O-N 3.08Å
418	R	88.5	Confident	91.1	Very high	171 Å²	171	49 Å²	49	65%	0.645	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.4	179.7	-65.9	-179.9	169.3	-179.8	-3.2	111.2	L414 N415 C416	L414-R418 WeakPolarHBondContact CA-O 3.3Å; N415-R418 PolarHBondContact N-O 3.1Å; N415-R418 VanDerWaalsContact N-O 3.07Å; N415-R418 WeakPolarHBondContact O-CA 3.39Å; N415-R418 PolarHBondContact O-N 2.96Å; C416-R418 VanDerWaalsContact C-N 3.27Å; C416-R418 PolarHBondContact O-N 3.26Å
419	L	91.7	Very high	91.1	Very high	20 Å²	20	48.7 Å²	48.7	11%	0.105	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.7	170.4	-65	175.7	0	0	0	108.1	F192 L202 A205 L207 L217 L228 I412 L414	F192-L419 HydrophobicContact CZ-CD1 3.82Å; L202-L419 HydrophobicContact CD1-CD1 4.11Å; L202-L419 HydrophobicContact CD1-CD2 4.48Å; L202-L419 HydrophobicContact CD1-CG 4.27Å; L202-L419 HydrophobicContact CD2-CD2 4.13Å; L202-L419 HydrophobicContact CD2-CG 3.96Å; A205-L419 HydrophobicContact CB-CD1 4.09Å; A205-L419 HydrophobicContact CB-CG 4.22Å; L207-L419 HydrophobicContact CB-CD1 4.43Å; L217-L419 HydrophobicContact CD1-CD2 4.33Å; L228-L419 HydrophobicContact CD2-CD1 4.06Å; L228-L419 HydrophobicContact CD2-CD2 4.26Å; I412-L419 HydrophobicContact CG2-CB 4.21Å; I412-L419 HydrophobicContact CG2-CD2 3.96Å; L414-L419 HydrophobicContact CB-CD2 3.84Å; L414-L419 HydrophobicContact CD1-CD2 4.1Å; L414-L419 HydrophobicContact CG-CD2 3.71Å
420	D	91.3	Very high	90.8	Very high	45 Å²	45	50.2 Å²	50.2	24%	0.241	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.7	174.4	-72.8	-54.2	0	0	0	108.9	H413 Y422 R436	H413-D420 PolarHBondContact N-O 2.82Å; H413-D420 PolarHBondContact O-N 3.27Å; D420-Y422 HydrophobicContact CB-CD2 4.39Å; D420-Y422 HydrophobicContact CB-CE2 3.59Å; D420-Y422 WeakPolarHBondContact O-CD2 3.34Å; D420-R436 IonicContact OD1-NH1 2.96Å
421	A	92.9	Very high	90.7	Very high	81 Å²	81	55.6 Å²	55.6	67%	0.669	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	132	178.2	0	0	0	0	0	111.3
422	Y	93.8	Very high	90.6	Very high	31 Å²	31	57.5 Å²	57.5	12%	0.122	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.8	179	-64.8	-99.1	0	0	0	109.4	D410 I411 H413 D420 F429 A432	D410-Y422 CarbonylContact C-O 3.49Å; D410-Y422 WeakPolarHBondContact CA-O 3.47Å; I411-Y422 PolarHBondContact N-O 2.87Å; I411-Y422 PolarHBondContact O-N 3.34Å; H413-Y422 HydrophobicContact CB-CD2 4.27Å; H413-Y422 HydrophobicContact CB-CE2 3.9Å; D420-Y422 HydrophobicContact CB-CD2 4.39Å; D420-Y422 HydrophobicContact CB-CE2 3.59Å; D420-Y422 WeakPolarHBondContact O-CD2 3.34Å; Y422-F429 HydrophobicContact CD1-CD2 4.06Å; Y422-F429 AromaticContact CD2-CD2 3.54Å; Y422-F429 HydrophobicContact CD2-CD2 3.54Å; Y422-F429 AromaticContact CD2-CE2 3.83Å; Y422-F429 HydrophobicContact CD2-CE2 3.83Å; Y422-F429 HydrophobicContact CE1-CD2 4.33Å; Y422-F429 AromaticContact CE2-CD2 3.87Å; Y422-F429 HydrophobicContact CE2-CD2 3.87Å; Y422-F429 AromaticContact CE2-CE2 3.72Å; Y422-F429 HydrophobicContact CE2-CE2 3.72Å; Y422-F429 AromaticContact CG-CD2 3.65Å; Y422-F429 HydrophobicContact CG-CD2 3.65Å; Y422-F429 HydrophobicContact CG-CE2 4.36Å; Y422-A432 HydrophobicContact CD1-CB 4.13Å; Y422-A432 HydrophobicContact CE1-CB 4.39Å
423	R	93	Very high	90.3	Very high	220 Å²	220	60 Å²	60	83%	0.83	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.6	175.1	-64.8	-174.2	176.6	-174.5	-0.6	109.6
424	G	92.2	Very high	90.1	Very high	26 Å²	26	62.4 Å²	62.4	27%	0.268	32%	0.323	S	S	.	.	S	Bend	trans	113.8	-178.9	-178.8	0	0	0	0	0	113	T409 D410	T409-G424 CarbonylContact C-O 3.56Å; T409-G424 CarbonylContact O-C 3.59Å; T409-G424 WeakPolarHBondContact O-CA 3.02Å; T409-G424 PolarHBondContact O-N 3.28Å; T409-G424 VanDerWaalsContact O-O 3.1Å; D410-G424 WeakPolarHBondContact CA-O 3.48Å; D410-G424 PolarHBondContact N-O 2.81Å
425	N	91.9	Very high	90.1	Very high	57 Å²	57	68.2 Å²	68.2	31%	0.305	35%	0.35	S	S	.	.			trans	-77	-177.1	176.8	68.6	-3.3	0	0	0	111.7	D427 A428 F429	N425-D427 PolarHBondContact O-N 3.43Å; N425-A428 PolarHBondContact O-N 3.26Å; N425-A428 WeakPolarHBondContact OD1-CB 3.49Å; N425-A428 PolarHBondContact OD1-N 3.46Å; N425-F429 PolarHBondContact O-N 2.96Å
426	Y	90.9	Very high	90.4	Very high	15 Å²	15	72.6 Å²	72.6	6%	0.059	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-41.6	-178.2	-175.1	-82.7	0	0	0	112.6	V218 R401 L404 N405 A428 F429 E430	V218-Y426 HydrophobicContact CG1-CD2 4.12Å; V218-Y426 HydrophobicContact CG1-CE2 4.04Å; R401-Y426 HydrophobicContact CB-CD1 4.12Å; R401-Y426 HydrophobicContact CB-CE1 4.25Å; R401-Y426 HydrophobicContact CG-CD1 4.02Å; R401-Y426 HydrophobicContact CG-CE1 3.64Å; R401-Y426 HydrophobicContact CG-CE2 4.4Å; L404-Y426 HydrophobicContact CB-CD2 4.44Å; L404-Y426 HydrophobicContact CD1-CD2 3.83Å; L404-Y426 HydrophobicContact CD1-CE2 4.43Å; N405-Y426 WeakPolarHBondContact OD1-CA 3.26Å; N405-Y426 VanDerWaalsContact OD1-CB 3.25Å; N405-Y426 WeakPolarHBondContact OD1-CB 3.19Å; N405-Y426 PolarHBondContact OD1-N 2.9Å; Y426-A428 PolarHBondContact O-N 3.35Å; Y426-F429 HydrophobicContact CD2-CD1 4.19Å; Y426-F429 HydrophobicContact CE2-CD1 4.14Å; Y426-F429 HydrophobicContact CE2-CE1 4.15Å; Y426-F429 WeakPolarHBondContact O-CB 3.4Å; Y426-F429 PolarHBondContact O-N 3.16Å; Y426-E430 HydrophobicContact CE1-CB 4.37Å; Y426-E430 PolarHBondContact O-N 3.23Å
427	D	92.2	Very high	90.8	Very high	65 Å²	65	71.3 Å²	71.3	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-41.9	179.4	-67.4	-14.7	0	0	0	112	N405 N425 F429 E430 Q431	N405-D427 PolarHBondContact ND2-OD1 2.7Å; N405-D427 PolarHBondContact ND2-OD2 3.16Å; N405-D427 VanDerWaalsContact ND2-OD2 3.14Å; N405-D427 PolarHBondContact OD1-N 3.37Å; N425-D427 PolarHBondContact O-N 3.43Å; D427-F429 VanDerWaalsContact C-N 3.29Å; D427-F429 PolarHBondContact O-N 3.32Å; D427-E430 PolarHBondContact O-N 3.3Å; D427-Q431 WeakPolarHBondContact O-CG 3.41Å; D427-Q431 PolarHBondContact O-N 3.5Å
428	A	93.4	Very high	91.1	Very high	33 Å²	33	71 Å²	71	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-37.7	174.5	0	0	0	0	0	111.7	N425 Y426 A432	N425-A428 PolarHBondContact O-N 3.26Å; N425-A428 WeakPolarHBondContact OD1-CB 3.49Å; N425-A428 PolarHBondContact OD1-N 3.46Å; Y426-A428 PolarHBondContact O-N 3.35Å; A428-A432 VanDerWaalsContact O-CB 3.24Å; A428-A432 WeakPolarHBondContact O-CB 3.2Å; A428-A432 PolarHBondContact O-N 3.37Å
429	F	92.6	Very high	91.2	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-47.1	172.2	154.6	-105.7	0	0	0	112.1	V218 I411 H413 Y422 N425 Y426 D427 Q431 A432 R433	V218-F429 HydrophobicContact CG2-CD1 4.48Å; V218-F429 HydrophobicContact CG2-CE1 3.84Å; V218-F429 HydrophobicContact CG2-CZ 3.91Å; I411-F429 HydrophobicContact CB-CB 3.94Å; I411-F429 HydrophobicContact CB-CD2 4.48Å; I411-F429 HydrophobicContact CB-CG 4.11Å; I411-F429 HydrophobicContact CG1-CB 3.95Å; I411-F429 HydrophobicContact CG1-CG 4.45Å; I411-F429 HydrophobicContact CG2-CB 4.09Å; I411-F429 HydrophobicContact CG2-CD1 3.92Å; I411-F429 HydrophobicContact CG2-CD2 3.98Å; I411-F429 HydrophobicContact CG2-CE1 4.36Å; I411-F429 HydrophobicContact CG2-CE2 4.41Å; I411-F429 HydrophobicContact CG2-CG 3.7Å; H413-F429 HydrophobicContact CB-CE2 3.6Å; H413-F429 HydrophobicContact CB-CZ 3.89Å; H413-F429 AromaticContact CD2-CZ 3.87Å; H413-F429 AromaticContact CG-CE2 3.75Å; H413-F429 AromaticContact CG-CZ 3.66Å; H413-F429 AromaticContact ND1-CE2 3.97Å; H413-F429 AromaticContact ND1-CZ 4Å; Y422-F429 HydrophobicContact CD1-CD2 4.06Å; Y422-F429 AromaticContact CD2-CD2 3.54Å; Y422-F429 HydrophobicContact CD2-CD2 3.54Å; Y422-F429 AromaticContact CD2-CE2 3.83Å; Y422-F429 HydrophobicContact CD2-CE2 3.83Å; Y422-F429 HydrophobicContact CE1-CD2 4.33Å; Y422-F429 AromaticContact CE2-CD2 3.87Å; Y422-F429 HydrophobicContact CE2-CD2 3.87Å; Y422-F429 AromaticContact CE2-CE2 3.72Å; Y422-F429 HydrophobicContact CE2-CE2 3.72Å; Y422-F429 AromaticContact CG-CD2 3.65Å; Y422-F429 HydrophobicContact CG-CD2 3.65Å; Y422-F429 HydrophobicContact CG-CE2 4.36Å; N425-F429 PolarHBondContact O-N 2.96Å; Y426-F429 HydrophobicContact CD2-CD1 4.19Å; Y426-F429 HydrophobicContact CE2-CD1 4.14Å; Y426-F429 HydrophobicContact CE2-CE1 4.15Å; Y426-F429 WeakPolarHBondContact O-CB 3.4Å; Y426-F429 PolarHBondContact O-N 3.16Å; D427-F429 VanDerWaalsContact C-N 3.29Å; D427-F429 PolarHBondContact O-N 3.32Å; F429-Q431 VanDerWaalsContact C-N 3.34Å; F429-Q431 PolarHBondContact O-N 3Å; F429-A432 PolarHBondContact O-N 2.9Å; F429-R433 HydrophobicContact CD2-CB 4.5Å; F429-R433 HydrophobicContact CE2-CB 4.2Å; F429-R433 WeakPolarHBondContact O-CB 3.39Å; F429-R433 PolarHBondContact O-N 3.35Å
430	E	89.3	Confident	91.1	Very high	75 Å²	75	68.9 Å²	68.9	35%	0.35	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-43.9	-180	-171.8	169.2	-157.4	0	0	110.7	R401 Y426 D427 R433 S434	R401-E430 IonicContact CZ-OE1 3.65Å; R401-E430 VanDerWaalsContact NH1-CD 3.29Å; R401-E430 IonicContact NH1-OE1 3.22Å; R401-E430 PolarHBondContact NH1-OE1 3.33Å; R401-E430 IonicContact NH1-OE2 3.71Å; R401-E430 PolarHBondContact NH1-OE2 3.24Å; R401-E430 IonicContact NH2-OE1 2.85Å; Y426-E430 HydrophobicContact CE1-CB 4.37Å; Y426-E430 PolarHBondContact O-N 3.23Å; D427-E430 PolarHBondContact O-N 3.3Å; E430-R433 PolarHBondContact O-N 3.16Å; E430-S434 WeakPolarHBondContact O-CB 3.46Å; E430-S434 PolarHBondContact O-N 2.96Å; E430-S434 PolarHBondContact O-OG 2.86Å
431	Q	92.5	Very high	91	Very high	126 Å²	126	70 Å²	70	59%	0.589	36%	0.359	S	S	*	.	H	α-helix	trans	-61	-55.7	173.9	-71.1	177.1	6.2	0	0	111.6	D427 F429 R433 S434 E435	D427-Q431 WeakPolarHBondContact O-CG 3.41Å; D427-Q431 PolarHBondContact O-N 3.5Å; F429-Q431 VanDerWaalsContact C-N 3.34Å; F429-Q431 PolarHBondContact O-N 3Å; Q431-R433 PolarHBondContact O-N 2.91Å; Q431-S434 PolarHBondContact O-N 3.5Å; Q431-S434 VanDerWaalsContact O-N 3.12Å; Q431-S434 PolarHBondContact O-OG 3.14Å; Q431-E435 WeakPolarHBondContact O-CG 3.26Å; Q431-E435 PolarHBondContact O-N 3.22Å
432	A	92.9	Very high	90.9	Very high	41 Å²	41	73 Å²	73	34%	0.339	35%	0.353	S	S	.	.	H	α-helix	trans	-59.4	-36.1	-179.3	0	0	0	0	0	112.6	Y422 A428 F429 R436	Y422-A432 HydrophobicContact CD1-CB 4.13Å; Y422-A432 HydrophobicContact CE1-CB 4.39Å; A428-A432 VanDerWaalsContact O-CB 3.24Å; A428-A432 WeakPolarHBondContact O-CB 3.2Å; A428-A432 PolarHBondContact O-N 3.37Å; F429-A432 PolarHBondContact O-N 2.9Å; A432-R436 VanDerWaalsContact O-CB 3.3Å; A432-R436 WeakPolarHBondContact O-CB 3.4Å; A432-R436 PolarHBondContact O-N 3.24Å
433	R	89	Confident	90.7	Very high	59 Å²	59	77.6 Å²	77.6	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-68.3	-47.2	175.3	-177.2	-176.7	175.8	-168.9	0.9	111.4	F429 E430 Q431 E435 R436 L437	F429-R433 HydrophobicContact CD2-CB 4.5Å; F429-R433 HydrophobicContact CE2-CB 4.2Å; F429-R433 WeakPolarHBondContact O-CB 3.39Å; F429-R433 PolarHBondContact O-N 3.35Å; E430-R433 PolarHBondContact O-N 3.16Å; Q431-R433 PolarHBondContact O-N 2.91Å; R433-E435 VanDerWaalsContact C-N 3.33Å; R433-E435 PolarHBondContact O-N 3.47Å; R433-R436 PolarHBondContact O-N 3.36Å; R433-L437 WeakPolarHBondContact O-CB 3.4Å; R433-L437 PolarHBondContact O-N 3.32Å
434	S	87.9	Confident	90.6	Very high	60 Å²	60	69.7 Å²	69.7	42%	0.42	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-40.7	179.8	70.2	0	0	0	0	112	E430 Q431 L437 L438	E430-S434 WeakPolarHBondContact O-CB 3.46Å; E430-S434 PolarHBondContact O-N 2.96Å; E430-S434 PolarHBondContact O-OG 2.86Å; Q431-S434 PolarHBondContact O-N 3.5Å; Q431-S434 VanDerWaalsContact O-N 3.12Å; Q431-S434 PolarHBondContact O-OG 3.14Å; S434-L437 PolarHBondContact O-N 3.01Å; S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.39Å
435	E	91.7	Very high	90.5	Very high	122 Å²	122	73.4 Å²	73.4	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-63.7	-45	173.8	-71.7	-177.5	174.4	0	0	111.9	Q431 R433 L437 L438 N439	Q431-E435 WeakPolarHBondContact O-CG 3.26Å; Q431-E435 PolarHBondContact O-N 3.22Å; R433-E435 VanDerWaalsContact C-N 3.33Å; R433-E435 PolarHBondContact O-N 3.47Å; E435-L437 VanDerWaalsContact C-N 3.33Å; E435-L437 PolarHBondContact O-N 3.14Å; E435-L438 PolarHBondContact O-N 3.15Å; E435-N439 WeakPolarHBondContact O-CB 3.48Å; E435-N439 VanDerWaalsContact O-CG 3.27Å; E435-N439 PolarHBondContact O-N 3.45Å; E435-N439 PolarHBondContact O-ND2 3.32Å
436	R	88.7	Confident	90.5	Very high	113 Å²	113	74.5 Å²	74.5	43%	0.426	37%	0.368	S	S	.	.	H	α-helix	trans	-59.6	-44.2	175.8	-177.8	176.1	179.1	173.3	-1.9	111.2	D420 A432 R433 N439 Q440	D420-R436 IonicContact OD1-NH1 2.96Å; A432-R436 VanDerWaalsContact O-CB 3.3Å; A432-R436 WeakPolarHBondContact O-CB 3.4Å; A432-R436 PolarHBondContact O-N 3.24Å; R433-R436 PolarHBondContact O-N 3.36Å; R436-N439 PolarHBondContact O-N 3.18Å; R436-Q440 VanDerWaalsContact O-CG 3.31Å; R436-Q440 WeakPolarHBondContact O-CG 3.46Å; R436-Q440 PolarHBondContact O-N 3.26Å
437	L	87.1	Confident	90.5	Very high	40 Å²	40	75.8 Å²	75.8	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-42.9	179.4	-171.4	70.7	0	0	0	111.6	R433 S434 E435 N439 Q440 Q441 P487 E488 E490	R433-L437 WeakPolarHBondContact O-CB 3.4Å; R433-L437 PolarHBondContact O-N 3.32Å; S434-L437 PolarHBondContact O-N 3.01Å; E435-L437 VanDerWaalsContact C-N 3.33Å; E435-L437 PolarHBondContact O-N 3.14Å; L437-N439 VanDerWaalsContact C-N 3.33Å; L437-N439 PolarHBondContact O-N 3.18Å; L437-Q440 PolarHBondContact O-N 3.02Å; L437-Q441 WeakPolarHBondContact O-CB 3.44Å; L437-Q441 PolarHBondContact O-N 3.05Å; L437-P487 HydrophobicContact CD1-CB 4.3Å; L437-E488 VanDerWaalsContact CD1-O 3.29Å; L437-E488 WeakPolarHBondContact CD1-O 3.44Å; L437-E490 HydrophobicContact CD2-CG 3.81Å
438	L	89.5	Confident	90.4	Very high	87 Å²	87	76.8 Å²	76.8	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-41.6	176.4	-178.6	62.5	0	0	0	111.7	S434 E435 Q441 R442	S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.39Å; E435-L438 PolarHBondContact O-N 3.15Å; L438-Q441 PolarHBondContact O-N 3.01Å; L438-R442 WeakPolarHBondContact O-CG 3.35Å; L438-R442 PolarHBondContact O-N 3.07Å
439	N	91.1	Very high	90.4	Very high	79 Å²	79	77.8 Å²	77.8	42%	0.422	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-43.7	175.9	-71.7	-20	0	0	0	111.5	E435 R436 L437 Q441 R442 E443	E435-N439 WeakPolarHBondContact O-CB 3.48Å; E435-N439 VanDerWaalsContact O-CG 3.27Å; E435-N439 PolarHBondContact O-N 3.45Å; E435-N439 PolarHBondContact O-ND2 3.32Å; R436-N439 PolarHBondContact O-N 3.18Å; L437-N439 VanDerWaalsContact C-N 3.33Å; L437-N439 PolarHBondContact O-N 3.18Å; N439-Q441 VanDerWaalsContact C-N 3.32Å; N439-Q441 PolarHBondContact O-N 2.85Å; N439-R442 PolarHBondContact O-N 2.82Å; N439-E443 WeakPolarHBondContact O-CB 3.32Å; N439-E443 WeakPolarHBondContact O-CG 3.44Å; N439-E443 PolarHBondContact O-N 3.14Å
440	Q	88.3	Confident	90.3	Very high	67 Å²	67	81.1 Å²	81.1	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-39.3	174.2	-73.8	176.9	-6.5	0	0	112.5	R436 L437 Y444 P487	R436-Q440 VanDerWaalsContact O-CG 3.31Å; R436-Q440 WeakPolarHBondContact O-CG 3.46Å; R436-Q440 PolarHBondContact O-N 3.26Å; L437-Q440 PolarHBondContact O-N 3.02Å; Q440-Y444 VanDerWaalsContact O-CB 3.23Å; Q440-Y444 WeakPolarHBondContact O-CB 3.26Å; Q440-Y444 PolarHBondContact O-N 3.29Å; Q440-P487 HydrophobicContact CB-CB 4.19Å
441	Q	89.7	Confident	90.3	Very high	69 Å²	69	80.5 Å²	80.5	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-63.7	-44.8	175.7	-177.6	66.7	34.3	0	0	111.6	L437 L438 N439 Y444 E445 P487	L437-Q441 WeakPolarHBondContact O-CB 3.44Å; L437-Q441 PolarHBondContact O-N 3.05Å; L438-Q441 PolarHBondContact O-N 3.01Å; N439-Q441 VanDerWaalsContact C-N 3.32Å; N439-Q441 PolarHBondContact O-N 2.85Å; Q441-Y444 PolarHBondContact O-N 3.29Å; Q441-E445 PolarHBondContact NE2-OE1 3.42Å; Q441-E445 WeakPolarHBondContact O-CB 3.28Å; Q441-E445 WeakPolarHBondContact O-CG 3.32Å; Q441-E445 PolarHBondContact O-N 2.84Å; Q441-P487 HydrophobicContact CB-CG 4.38Å
442	R	90.9	Very high	90.3	Very high	145 Å²	145	78.6 Å²	78.6	55%	0.547	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-43.9	176.6	-72.4	171.5	177	167	-1.8	112.3	L438 N439 Y444 E445 S446	L438-R442 WeakPolarHBondContact O-CG 3.35Å; L438-R442 PolarHBondContact O-N 3.07Å; N439-R442 PolarHBondContact O-N 2.82Å; R442-Y444 VanDerWaalsContact C-N 3.35Å; R442-E445 PolarHBondContact O-N 3.28Å; R442-S446 VanDerWaalsContact O-CB 3.31Å; R442-S446 WeakPolarHBondContact O-CB 3.49Å; R442-S446 PolarHBondContact O-N 2.96Å
443	E	89.8	Confident	90.3	Very high	127 Å²	127	82.5 Å²	82.5	59%	0.593	40%	0.397	S	S	*	.	H	α-helix	trans	-61.1	-44.7	175.2	-75.2	177	-172.2	0	0	111.1	N439 S446 L447	N439-E443 WeakPolarHBondContact O-CB 3.32Å; N439-E443 WeakPolarHBondContact O-CG 3.44Å; N439-E443 PolarHBondContact O-N 3.14Å; E443-S446 PolarHBondContact O-N 2.97Å; E443-L447 WeakPolarHBondContact O-CB 3.28Å; E443-L447 VanDerWaalsContact O-CG 3.29Å; E443-L447 WeakPolarHBondContact O-CG 3.23Å; E443-L447 PolarHBondContact O-N 3.48Å
444	Y	90.3	Very high	90.3	Very high	53 Å²	53	79.8 Å²	79.8	21%	0.208	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-47.3	175.9	173	-94.5	0	0	0	112.2	Q440 Q441 R442 L447 K448 L484 I485 P486 P487	Q440-Y444 VanDerWaalsContact O-CB 3.23Å; Q440-Y444 WeakPolarHBondContact O-CB 3.26Å; Q440-Y444 PolarHBondContact O-N 3.29Å; Q441-Y444 PolarHBondContact O-N 3.29Å; R442-Y444 VanDerWaalsContact C-N 3.35Å; Y444-L447 PolarHBondContact O-N 2.82Å; Y444-K448 HydrophobicContact CE1-CD 4.17Å; Y444-K448 WeakPolarHBondContact O-CB 3.4Å; Y444-K448 PolarHBondContact O-N 3.27Å; Y444-L484 HydrophobicContact CD2-CD1 3.72Å; Y444-L484 HydrophobicContact CD2-CD2 4.37Å; Y444-L484 HydrophobicContact CD2-CG 3.76Å; Y444-L484 HydrophobicContact CE2-CD1 3.81Å; Y444-L484 HydrophobicContact CE2-CD2 3.59Å; Y444-L484 HydrophobicContact CE2-CG 3.4Å; Y444-L484 HydrophobicContact CG-CD1 4.49Å; Y444-I485 WeakPolarHBondContact CD2-O 3.46Å; Y444-P486 VanDerWaalsContact CE2-CA 3.46Å; Y444-P486 HydrophobicContact CE2-CB 3.94Å; Y444-P487 HydrophobicContact CG-CG 4.43Å
445	E	91.8	Very high	90.4	Very high	105 Å²	105	80.4 Å²	80.4	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-42.4	178.4	-75.7	173.4	-175.1	0	0	112	Q441 R442 K448 A449	Q441-E445 PolarHBondContact NE2-OE1 3.42Å; Q441-E445 WeakPolarHBondContact O-CB 3.28Å; Q441-E445 WeakPolarHBondContact O-CG 3.32Å; Q441-E445 PolarHBondContact O-N 2.84Å; R442-E445 PolarHBondContact O-N 3.28Å; E445-K448 PolarHBondContact O-N 3.42Å; E445-A449 VanDerWaalsContact O-CB 3.31Å; E445-A449 WeakPolarHBondContact O-CB 3.43Å; E445-A449 PolarHBondContact O-N 3.36Å
446	S	91.1	Very high	90.4	Very high	79 Å²	79	80.6 Å²	80.6	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-61.3	-49.8	175.5	-177.4	0	0	0	0	111.6	R442 E443 K448 A449 E450	R442-S446 VanDerWaalsContact O-CB 3.31Å; R442-S446 WeakPolarHBondContact O-CB 3.49Å; R442-S446 PolarHBondContact O-N 2.96Å; E443-S446 PolarHBondContact O-N 2.97Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.49Å; S446-A449 PolarHBondContact O-N 2.73Å; S446-E450 WeakPolarHBondContact O-CB 3.25Å; S446-E450 PolarHBondContact O-N 3.38Å
447	L	90.6	Very high	90.4	Very high	43 Å²	43	77.2 Å²	77.2	23%	0.225	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-38.6	177.1	-74.4	171.3	0	0	0	112	E443 Y444 R451 P482 L484	E443-L447 WeakPolarHBondContact O-CB 3.28Å; E443-L447 VanDerWaalsContact O-CG 3.29Å; E443-L447 WeakPolarHBondContact O-CG 3.23Å; E443-L447 PolarHBondContact O-N 3.48Å; Y444-L447 PolarHBondContact O-N 2.82Å; L447-R451 WeakPolarHBondContact O-CB 3.28Å; L447-R451 VanDerWaalsContact O-CG 3.25Å; L447-R451 WeakPolarHBondContact O-CG 3.4Å; L447-R451 PolarHBondContact O-N 3.42Å; L447-P482 HydrophobicContact CD1-CG 4.08Å; L447-P482 HydrophobicContact CD2-CG 3.85Å; L447-L484 HydrophobicContact CB-CD1 3.86Å
448	K	91.2	Very high	90.4	Very high	85 Å²	85	75.9 Å²	75.9	37%	0.37	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-47.5	176.6	-170.7	-173.9	-176.2	-118.9	0	110.9	Y444 E445 S446 E450 R451 E452 L484	Y444-K448 HydrophobicContact CE1-CD 4.17Å; Y444-K448 WeakPolarHBondContact O-CB 3.4Å; Y444-K448 PolarHBondContact O-N 3.27Å; E445-K448 PolarHBondContact O-N 3.42Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.49Å; K448-E450 VanDerWaalsContact C-N 3.35Å; K448-E450 PolarHBondContact O-N 2.94Å; K448-R451 PolarHBondContact O-N 3.39Å; K448-E452 WeakPolarHBondContact CE-OE1 3.2Å; K448-E452 HydrophobicContact CG-CG 4.5Å; K448-E452 IonicContact NZ-OE1 3.4Å; K448-E452 PolarHBondContact NZ-OE1 2.86Å; K448-E452 WeakPolarHBondContact O-CB 3.34Å; K448-E452 WeakPolarHBondContact O-CG 3.41Å; K448-E452 PolarHBondContact O-N 2.69Å; K448-L484 HydrophobicContact CB-CD1 4.13Å; K448-L484 HydrophobicContact CB-CD2 4.46Å; K448-L484 HydrophobicContact CG-CD2 4.4Å
449	A	92.3	Very high	90.5	Very high	54 Å²	54	75.7 Å²	75.7	45%	0.446	37%	0.365	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177.6	0	0	0	0	0	111.8	E445 S446 E452 H453	E445-A449 VanDerWaalsContact O-CB 3.31Å; E445-A449 WeakPolarHBondContact O-CB 3.43Å; E445-A449 PolarHBondContact O-N 3.36Å; S446-A449 PolarHBondContact O-N 2.73Å; A449-E452 PolarHBondContact O-N 2.91Å; A449-H453 WeakPolarHBondContact O-CB 3.44Å; A449-H453 PolarHBondContact O-N 3.35Å
450	E	90.5	Very high	90.3	Very high	74 Å²	74	79.6 Å²	79.6	35%	0.346	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-45.5	175	-171.5	-176.7	178.7	0	0	111.3	S446 K448 H453 I454 H477 L481	S446-E450 WeakPolarHBondContact O-CB 3.25Å; S446-E450 PolarHBondContact O-N 3.38Å; K448-E450 VanDerWaalsContact C-N 3.35Å; K448-E450 PolarHBondContact O-N 2.94Å; E450-H453 PolarHBondContact O-N 2.83Å; E450-I454 HydrophobicContact CG-CD1 3.97Å; E450-I454 VanDerWaalsContact O-CG1 3.28Å; E450-I454 WeakPolarHBondContact O-CG1 3.35Å; E450-I454 PolarHBondContact O-N 2.88Å; E450-H477 IonicContact OE1-CE1 3.1Å; E450-H477 PolarHBondContact OE1-CE1 3.31Å; E450-L481 HydrophobicContact CG-CD1 4.36Å
451	R	89.9	Confident	90.3	Very high	63 Å²	63	77.9 Å²	77.9	24%	0.238	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-46.5	175.7	-77.6	-176.3	166.5	-161.7	-3.8	112	L447 K448 H453 I454 Q455 L478 L481 P482 L484	L447-R451 WeakPolarHBondContact O-CB 3.28Å; L447-R451 VanDerWaalsContact O-CG 3.25Å; L447-R451 WeakPolarHBondContact O-CG 3.4Å; L447-R451 PolarHBondContact O-N 3.42Å; K448-R451 PolarHBondContact O-N 3.39Å; R451-H453 PolarHBondContact O-N 2.91Å; R451-I454 PolarHBondContact O-N 3.42Å; R451-Q455 VanDerWaalsContact O-CB 3.23Å; R451-Q455 WeakPolarHBondContact O-CB 3.34Å; R451-Q455 PolarHBondContact O-N 3.38Å; R451-L478 HydrophobicContact CB-CD1 4.12Å; R451-L478 HydrophobicContact CG-CD1 3.87Å; R451-L481 HydrophobicContact CG-CD1 3.78Å; R451-L481 PolarHBondContact NH2-O 3.46Å; R451-L481 VanDerWaalsContact NH2-O 3.15Å; R451-P482 PolarHBondContact NH2-O 3.44Å; R451-L484 VanDerWaalsContact NH1-CB 3.29Å
452	E	91.7	Very high	89.9	Confident	86 Å²	86	82.7 Å²	82.7	40%	0.402	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-43.1	177.5	-75.9	176.1	-170.6	0	0	111.1	K448 A449 Q455 Q456	K448-E452 WeakPolarHBondContact CE-OE1 3.2Å; K448-E452 HydrophobicContact CG-CG 4.5Å; K448-E452 IonicContact NZ-OE1 3.4Å; K448-E452 PolarHBondContact NZ-OE1 2.86Å; K448-E452 WeakPolarHBondContact O-CB 3.34Å; K448-E452 WeakPolarHBondContact O-CG 3.41Å; K448-E452 PolarHBondContact O-N 2.69Å; A449-E452 PolarHBondContact O-N 2.91Å; E452-Q455 PolarHBondContact O-N 2.88Å; E452-Q456 WeakPolarHBondContact O-CB 3.45Å; E452-Q456 VanDerWaalsContact O-CG 3.25Å; E452-Q456 WeakPolarHBondContact O-CG 3.31Å; E452-Q456 PolarHBondContact O-N 2.99Å
453	H	92.3	Very high	89.4	Confident	122 Å²	122	84.9 Å²	84.9	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-64.1	-43.8	177	177.8	-100.4	0	0	0	112.5	A449 E450 R451 Q455 F457	A449-H453 WeakPolarHBondContact O-CB 3.44Å; A449-H453 PolarHBondContact O-N 3.35Å; E450-H453 PolarHBondContact O-N 2.83Å; R451-H453 PolarHBondContact O-N 2.91Å; H453-Q455 VanDerWaalsContact C-N 3.33Å; H453-F457 PolarHBondContact O-N 3.46Å; H453-F457 VanDerWaalsContact O-N 3.1Å
454	I	89.9	Confident	89	Confident	3 Å²	3	82 Å²	82	2%	0.015	38%	0.384	C	S	.	.	H	α-helix	trans	-64.2	-41.1	175.1	-68.1	166.6	0	0	0	110.6	E450 R451 F457 I458 R474 H477 L478 L481	E450-I454 HydrophobicContact CG-CD1 3.97Å; E450-I454 VanDerWaalsContact O-CG1 3.28Å; E450-I454 WeakPolarHBondContact O-CG1 3.35Å; E450-I454 PolarHBondContact O-N 2.88Å; R451-I454 PolarHBondContact O-N 3.42Å; I454-F457 WeakPolarHBondContact O-CB 3.36Å; I454-F457 PolarHBondContact O-N 3.07Å; I454-I458 HydrophobicContact CG2-CD1 3.85Å; I454-I458 HydrophobicContact CG2-CG1 4.5Å; I454-I458 WeakPolarHBondContact O-CG1 3.42Å; I454-I458 PolarHBondContact O-N 3.19Å; I454-R474 HydrophobicContact CG2-CB 4.11Å; I454-H477 WeakPolarHBondContact CD1-ND1 3.37Å; I454-L478 HydrophobicContact CB-CD1 4.34Å; I454-L478 HydrophobicContact CG2-CB 4.12Å; I454-L478 HydrophobicContact CG2-CD1 4.12Å; I454-L481 HydrophobicContact CD1-CD1 3.79Å
455	Q	89.4	Confident	88.4	Confident	72 Å²	72	83.9 Å²	83.9	34%	0.336	41%	0.41	S	S	.	.	H	α-helix	trans	-65.1	-46.1	179.2	-173.3	57.4	49.8	0	0	111.7	R451 E452 H453 F457 I458 D459	R451-Q455 VanDerWaalsContact O-CB 3.23Å; R451-Q455 WeakPolarHBondContact O-CB 3.34Å; R451-Q455 PolarHBondContact O-N 3.38Å; E452-Q455 PolarHBondContact O-N 2.88Å; H453-Q455 VanDerWaalsContact C-N 3.33Å; Q455-F457 PolarHBondContact O-N 3.29Å; Q455-I458 WeakPolarHBondContact O-CB 3.29Å; Q455-I458 PolarHBondContact O-N 3.34Å; Q455-I458 VanDerWaalsContact O-N 3.07Å; Q455-D459 VanDerWaalsContact NE2-CG 3.3Å; Q455-D459 PolarHBondContact NE2-OD1 3.3Å; Q455-D459 PolarHBondContact NE2-OD2 3.16Å; Q455-D459 PolarHBondContact O-N 3.08Å
456	Q	91.5	Very high	88	Confident	127 Å²	127	88.2 Å²	88.2	59%	0.593	43%	0.427	S	S	*	.	H	α-helix	trans	-57.6	-38.9	173.8	-73.6	173.6	14.3	0	0	111.9	E452 K460	E452-Q456 WeakPolarHBondContact O-CB 3.45Å; E452-Q456 VanDerWaalsContact O-CG 3.25Å; E452-Q456 WeakPolarHBondContact O-CG 3.31Å; E452-Q456 PolarHBondContact O-N 2.99Å; Q456-K460 WeakPolarHBondContact O-CB 3.5Å; Q456-K460 PolarHBondContact O-N 3.4Å
457	F	89.4	Confident	87.5	Confident	42 Å²	42	89.6 Å²	89.6	18%	0.184	42%	0.42	C	S	.	.	H	α-helix	trans	-64.2	-45.5	174.5	-175.8	-83.9	0	0	0	111.8	H453 I454 Q455 F461 L470 V471 R474	H453-F457 PolarHBondContact O-N 3.46Å; H453-F457 VanDerWaalsContact O-N 3.1Å; I454-F457 WeakPolarHBondContact O-CB 3.36Å; I454-F457 PolarHBondContact O-N 3.07Å; Q455-F457 PolarHBondContact O-N 3.29Å; F457-F461 HydrophobicContact CD1-CD2 4.14Å; F457-F461 AromaticContact CD2-CD2 3.74Å; F457-F461 HydrophobicContact CD2-CD2 3.74Å; F457-F461 AromaticContact CD2-CE2 3.75Å; F457-F461 HydrophobicContact CD2-CE2 3.75Å; F457-F461 AromaticContact CE1-CD2 3.92Å; F457-F461 HydrophobicContact CE1-CD2 3.92Å; F457-F461 AromaticContact CE2-CD2 3.49Å; F457-F461 HydrophobicContact CE2-CD2 3.49Å; F457-F461 VanDerWaalsContact CE2-CD2 3.49Å; F457-F461 AromaticContact CE2-CE2 3.51Å; F457-F461 HydrophobicContact CE2-CE2 3.51Å; F457-F461 HydrophobicContact CG-CD2 4.04Å; F457-F461 HydrophobicContact CG-CE2 4.45Å; F457-F461 AromaticContact CZ-CD2 3.56Å; F457-F461 HydrophobicContact CZ-CD2 3.56Å; F457-F461 HydrophobicContact CZ-CE2 4.03Å; F457-F461 HydrophobicContact CZ-CG 4.37Å; F457-F461 VanDerWaalsContact O-CD2 3.28Å; F457-F461 WeakPolarHBondContact O-CD2 3.23Å; F457-F461 PolarHBondContact O-N 3.18Å; F457-F461 VanDerWaalsContact O-N 3.14Å; F457-L470 HydrophobicContact CE1-CD2 4.12Å; F457-L470 HydrophobicContact CE1-CG 4.07Å; F457-L470 HydrophobicContact CE2-CD2 4.37Å; F457-L470 HydrophobicContact CZ-CD2 3.45Å; F457-L470 VanDerWaalsContact CZ-CD2 3.45Å; F457-L470 HydrophobicContact CZ-CG 3.9Å; F457-V471 HydrophobicContact CE1-CG2 4.29Å; F457-R474 HydrophobicContact CD1-CB 4.35Å; F457-R474 HydrophobicContact CD1-CG 3.78Å; F457-R474 HydrophobicContact CE1-CG 4Å
458	I	88	Confident	87	Confident	12 Å²	12	89.7 Å²	89.7	6%	0.062	43%	0.427	C	S	.	.	H	α-helix	trans	-60.3	-50.4	177.6	-69.1	163.5	0	0	0	109.7	I454 Q455 K460 F461 R462 V471 R474 I475 L478	I454-I458 HydrophobicContact CG2-CD1 3.85Å; I454-I458 HydrophobicContact CG2-CG1 4.5Å; I454-I458 WeakPolarHBondContact O-CG1 3.42Å; I454-I458 PolarHBondContact O-N 3.19Å; Q455-I458 WeakPolarHBondContact O-CB 3.29Å; Q455-I458 PolarHBondContact O-N 3.34Å; Q455-I458 VanDerWaalsContact O-N 3.07Å; I458-K460 PolarHBondContact O-N 3.37Å; I458-F461 PolarHBondContact O-N 3.42Å; I458-R462 WeakPolarHBondContact O-CA 3.35Å; I458-R462 VanDerWaalsContact O-CB 3.28Å; I458-R462 WeakPolarHBondContact O-CB 3.47Å; I458-R462 PolarHBondContact O-N 3.38Å; I458-V471 HydrophobicContact CG1-CG1 4.44Å; I458-V471 HydrophobicContact CG2-CG1 4.12Å; I458-R474 HydrophobicContact CD1-CB 4.34Å; I458-R474 HydrophobicContact CG1-CB 4.04Å; I458-I475 HydrophobicContact CD1-CG1 3.75Å; I458-I475 HydrophobicContact CG1-CG1 4.11Å; I458-I475 HydrophobicContact CG2-CD1 4.49Å; I458-I475 HydrophobicContact CG2-CG1 4.27Å; I458-L478 HydrophobicContact CD1-CD2 4.24Å
459	D	89.8	Confident	86.7	Confident	82 Å²	82	90 Å²	90	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-63.9	-40.6	-176.9	-68.1	-30.7	0	0	0	112.2	Q455 F461	Q455-D459 VanDerWaalsContact NE2-CG 3.3Å; Q455-D459 PolarHBondContact NE2-OD1 3.3Å; Q455-D459 PolarHBondContact NE2-OD2 3.16Å; Q455-D459 PolarHBondContact O-N 3.08Å; D459-F461 VanDerWaalsContact C-N 3.35Å; D459-F461 PolarHBondContact O-N 3.27Å
460	K	88.8	Confident	86.5	Confident	161 Å²	161	91.1 Å²	91.1	70%	0.7	44%	0.438	S	S	*	.	H	α-helix	trans	-65.7	-34.9	178	-173.5	171.5	-176.5	171.5	0	113.1	Q456 I458	Q456-K460 WeakPolarHBondContact O-CB 3.5Å; Q456-K460 PolarHBondContact O-N 3.4Å; I458-K460 PolarHBondContact O-N 3.37Å
461	F	87.4	Confident	86.3	Confident	32 Å²	32	88.1 Å²	88.1	14%	0.14	43%	0.425	C	S	.	.	H	α-helix	trans	-110.6	1.1	-173	-63.5	-63.4	0	0	0	114.8	F457 I458 D459 Y463 N464 R467 V471	F457-F461 HydrophobicContact CD1-CD2 4.14Å; F457-F461 AromaticContact CD2-CD2 3.74Å; F457-F461 HydrophobicContact CD2-CD2 3.74Å; F457-F461 AromaticContact CD2-CE2 3.75Å; F457-F461 HydrophobicContact CD2-CE2 3.75Å; F457-F461 AromaticContact CE1-CD2 3.92Å; F457-F461 HydrophobicContact CE1-CD2 3.92Å; F457-F461 AromaticContact CE2-CD2 3.49Å; F457-F461 HydrophobicContact CE2-CD2 3.49Å; F457-F461 VanDerWaalsContact CE2-CD2 3.49Å; F457-F461 AromaticContact CE2-CE2 3.51Å; F457-F461 HydrophobicContact CE2-CE2 3.51Å; F457-F461 HydrophobicContact CG-CD2 4.04Å; F457-F461 HydrophobicContact CG-CE2 4.45Å; F457-F461 AromaticContact CZ-CD2 3.56Å; F457-F461 HydrophobicContact CZ-CD2 3.56Å; F457-F461 HydrophobicContact CZ-CE2 4.03Å; F457-F461 HydrophobicContact CZ-CG 4.37Å; F457-F461 VanDerWaalsContact O-CD2 3.28Å; F457-F461 WeakPolarHBondContact O-CD2 3.23Å; F457-F461 PolarHBondContact O-N 3.18Å; F457-F461 VanDerWaalsContact O-N 3.14Å; I458-F461 PolarHBondContact O-N 3.42Å; D459-F461 VanDerWaalsContact C-N 3.35Å; D459-F461 PolarHBondContact O-N 3.27Å; F461-Y463 PolarHBondContact O-N 2.86Å; F461-Y463 VanDerWaalsContact O-N 3.15Å; F461-N464 PolarHBondContact O-N 2.97Å; F461-R467 HydrophobicContact CB-CB 4.44Å; F461-V471 HydrophobicContact CB-CG2 3.61Å
462	R	80.6	Confident	86.1	Confident	170 Å²	170	90.8 Å²	90.8	64%	0.642	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.5	-179.1	-171.2	173.3	179.9	175.1	-0.4	113.6	I458	I458-R462 WeakPolarHBondContact O-CA 3.35Å; I458-R462 VanDerWaalsContact O-CB 3.28Å; I458-R462 WeakPolarHBondContact O-CB 3.47Å; I458-R462 PolarHBondContact O-N 3.38Å
463	Y	80.4	Confident	86	Confident	191 Å²	191	90 Å²	90	75%	0.749	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.4	-177.3	-56.6	-72.5	0	0	0	114	F461	F461-Y463 PolarHBondContact O-N 2.86Å; F461-Y463 VanDerWaalsContact O-N 3.15Å
464	N	81.2	Confident	85.8	Confident	67 Å²	67	88.7 Å²	88.7	36%	0.358	43%	0.434	S	S	.	.			trans	-96.4	105.1	-176.9	-169.9	-22.9	0	0	0	111.4	F461 K466 R467 A468	F461-N464 PolarHBondContact O-N 2.97Å; N464-K466 PolarHBondContact O-N 2.91Å; N464-K466 PolarHBondContact OD1-N 3.48Å; N464-K466 VanDerWaalsContact OD1-N 3.14Å; N464-R467 PolarHBondContact O-N 3.12Å; N464-A468 PolarHBondContact O-N 2.7Å
465	A	79.6	Confident	85.7	Confident	92 Å²	92	91.8 Å²	91.8	76%	0.76	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-54.7	-36.2	-179.2	0	0	0	0	0	113.7	R467 A468	A465-R467 PolarHBondContact O-N 3.29Å; A465-A468 PolarHBondContact O-N 3.27Å
466	K	82.5	Confident	85.8	Confident	195 Å²	195	94.6 Å²	94.6	85%	0.848	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22.3	-179.6	-66.9	-174.2	178.7	-178.3	0	113.3	N464	N464-K466 PolarHBondContact O-N 2.91Å; N464-K466 PolarHBondContact OD1-N 3.48Å; N464-K466 VanDerWaalsContact OD1-N 3.14Å
467	R	80.5	Confident	85.6	Confident	108 Å²	108	92.1 Å²	92.1	41%	0.408	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-108.6	8.9	-177.3	-67.6	-173	177.4	-166.8	-1.4	113.4	F461 N464 A465 S469 L470 V471	F461-R467 HydrophobicContact CB-CB 4.44Å; N464-R467 PolarHBondContact O-N 3.12Å; A465-R467 PolarHBondContact O-N 3.29Å; R467-S469 VanDerWaalsContact C-N 3.29Å; R467-S469 PolarHBondContact O-N 3.45Å; R467-L470 PolarHBondContact O-N 3.05Å; R467-V471 PolarHBondContact O-N 3.2Å
468	A	79.6	Confident	85.6	Confident	45 Å²	45	92.1 Å²	92.1	37%	0.372	45%	0.451	S	S	.	.	H	α-helix	trans	-55.1	-41	-176.4	0	0	0	0	0	113.1	N464 A465 L470 V471 Q472	N464-A468 PolarHBondContact O-N 2.7Å; A465-A468 PolarHBondContact O-N 3.27Å; A468-L470 PolarHBondContact O-N 3.47Å; A468-V471 PolarHBondContact O-N 3.37Å; A468-Q472 WeakPolarHBondContact O-CB 3.41Å; A468-Q472 WeakPolarHBondContact O-CG 3.29Å; A468-Q472 PolarHBondContact O-N 2.87Å
469	S	85.7	Confident	85.5	Confident	91 Å²	91	98.7 Å²	98.7	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-62.9	-40.2	177.3	56.9	0	0	0	0	112.8	R467 Q472 S473	R467-S469 VanDerWaalsContact C-N 3.29Å; R467-S469 PolarHBondContact O-N 3.45Å; S469-Q472 PolarHBondContact O-N 3.36Å; S469-S473 PolarHBondContact O-N 2.47Å
470	L	88.3	Confident	85.5	Confident	78 Å²	78	103.1 Å²	103.1	41%	0.408	50%	0.497	S	S	.	.	H	α-helix	trans	-70.3	-39.9	179	-165.9	67	0	0	0	111.2	F457 R467 A468 S473 R474	F457-L470 HydrophobicContact CE1-CD2 4.12Å; F457-L470 HydrophobicContact CE1-CG 4.07Å; F457-L470 HydrophobicContact CE2-CD2 4.37Å; F457-L470 HydrophobicContact CZ-CD2 3.45Å; F457-L470 VanDerWaalsContact CZ-CD2 3.45Å; F457-L470 HydrophobicContact CZ-CG 3.9Å; R467-L470 PolarHBondContact O-N 3.05Å; A468-L470 PolarHBondContact O-N 3.47Å; L470-S473 WeakPolarHBondContact O-CB 3.31Å; L470-S473 PolarHBondContact O-N 2.87Å; L470-R474 WeakPolarHBondContact O-CG 3.39Å; L470-R474 PolarHBondContact O-N 3.43Å
471	V	86.5	Confident	85.4	Confident	11 Å²	11	96.5 Å²	96.5	7%	0.067	47%	0.469	C	S	.	.	H	α-helix	trans	-63.4	-45.6	173.9	175	0	0	0	0	110.8	F457 I458 F461 R467 A468 S473 R474 I475	F457-V471 HydrophobicContact CE1-CG2 4.29Å; I458-V471 HydrophobicContact CG1-CG1 4.44Å; I458-V471 HydrophobicContact CG2-CG1 4.12Å; F461-V471 HydrophobicContact CB-CG2 3.61Å; R467-V471 PolarHBondContact O-N 3.2Å; A468-V471 PolarHBondContact O-N 3.37Å; V471-S473 VanDerWaalsContact C-N 3.29Å; V471-S473 PolarHBondContact O-N 3.19Å; V471-R474 PolarHBondContact O-N 2.94Å; V471-R474 VanDerWaalsContact O-N 3.14Å; V471-I475 HydrophobicContact CG1-CD1 3.95Å; V471-I475 HydrophobicContact CG1-CG1 4.45Å; V471-I475 WeakPolarHBondContact O-CG1 3.46Å; V471-I475 PolarHBondContact O-N 2.88Å
472	Q	85.9	Confident	85.2	Confident	119 Å²	119	98.2 Å²	98.2	56%	0.556	48%	0.483	S	S	*	.	H	α-helix	trans	-60.5	-38	175.5	-75.2	-179.9	-6.7	0	0	112.5	A468 S469 I475 K476	A468-Q472 WeakPolarHBondContact O-CB 3.41Å; A468-Q472 WeakPolarHBondContact O-CG 3.29Å; A468-Q472 PolarHBondContact O-N 2.87Å; S469-Q472 PolarHBondContact O-N 3.36Å; Q472-I475 PolarHBondContact O-N 3.13Å; Q472-K476 WeakPolarHBondContact O-CG 3.13Å; Q472-K476 PolarHBondContact O-N 3.48Å; Q472-K476 VanDerWaalsContact O-N 3.11Å
473	S	88.9	Confident	85.2	Confident	71 Å²	71	94.7 Å²	94.7	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-43.6	173.9	-176.7	0	0	0	0	111.9	S469 L470 V471 K476 H477	S469-S473 PolarHBondContact O-N 2.47Å; L470-S473 WeakPolarHBondContact O-CB 3.31Å; L470-S473 PolarHBondContact O-N 2.87Å; V471-S473 VanDerWaalsContact C-N 3.29Å; V471-S473 PolarHBondContact O-N 3.19Å; S473-K476 PolarHBondContact O-N 2.82Å; S473-H477 PolarHBondContact O-N 3.04Å
474	R	87.2	Confident	85.1	Confident	93 Å²	93	88 Å²	88	35%	0.351	46%	0.46	S	S	.	.	H	α-helix	trans	-66.8	-37	177.1	-70	-64.5	-178.1	-173	-0.6	113.1	I454 F457 I458 L470 V471 H477 L478	I454-R474 HydrophobicContact CG2-CB 4.11Å; F457-R474 HydrophobicContact CD1-CB 4.35Å; F457-R474 HydrophobicContact CD1-CG 3.78Å; F457-R474 HydrophobicContact CE1-CG 4Å; I458-R474 HydrophobicContact CD1-CB 4.34Å; I458-R474 HydrophobicContact CG1-CB 4.04Å; L470-R474 WeakPolarHBondContact O-CG 3.39Å; L470-R474 PolarHBondContact O-N 3.43Å; V471-R474 PolarHBondContact O-N 2.94Å; V471-R474 VanDerWaalsContact O-N 3.14Å; R474-H477 WeakPolarHBondContact O-CB 3.49Å; R474-H477 PolarHBondContact O-N 3.21Å; R474-L478 PolarHBondContact O-N 2.96Å
475	I	88.9	Confident	85	Confident	68 Å²	68	91 Å²	91	35%	0.349	48%	0.475	S	S	.	.	H	α-helix	trans	-60.3	-48.4	172.6	-68.5	165.5	0	0	0	110.2	I458 V471 Q472 H477 L478 E479	I458-I475 HydrophobicContact CD1-CG1 3.75Å; I458-I475 HydrophobicContact CG1-CG1 4.11Å; I458-I475 HydrophobicContact CG2-CD1 4.49Å; I458-I475 HydrophobicContact CG2-CG1 4.27Å; V471-I475 HydrophobicContact CG1-CD1 3.95Å; V471-I475 HydrophobicContact CG1-CG1 4.45Å; V471-I475 WeakPolarHBondContact O-CG1 3.46Å; V471-I475 PolarHBondContact O-N 2.88Å; Q472-I475 PolarHBondContact O-N 3.13Å; I475-H477 VanDerWaalsContact C-N 3.26Å; I475-H477 PolarHBondContact O-N 3.47Å; I475-L478 WeakPolarHBondContact O-CB 3.48Å; I475-L478 PolarHBondContact O-N 3.24Å; I475-L478 VanDerWaalsContact O-N 3.16Å; I475-E479 WeakPolarHBondContact O-CG 3.48Å; I475-E479 PolarHBondContact O-N 3.24Å
476	K	90.3	Very high	85.1	Confident	132 Å²	132	90.7 Å²	90.7	57%	0.574	47%	0.465	S	S	*	.	H	α-helix	trans	-62.2	-33	175.5	-70.3	177.2	-179	180	0	112.8	Q472 S473 K480	Q472-K476 WeakPolarHBondContact O-CG 3.13Å; Q472-K476 PolarHBondContact O-N 3.48Å; Q472-K476 VanDerWaalsContact O-N 3.11Å; S473-K476 PolarHBondContact O-N 2.82Å; K476-K480 WeakPolarHBondContact O-CG 3.47Å; K476-K480 PolarHBondContact O-N 3.24Å
477	H	88.3	Confident	84.9	Confident	75 Å²	75	82.2 Å²	82.2	35%	0.347	43%	0.43	S	S	.	.	H	α-helix	trans	-67.5	-43.7	174.5	-166.2	-90.8	0	0	0	111.2	E450 I454 S473 R474 I475 E479 K480 L481	E450-H477 IonicContact OE1-CE1 3.1Å; E450-H477 PolarHBondContact OE1-CE1 3.31Å; I454-H477 WeakPolarHBondContact CD1-ND1 3.37Å; S473-H477 PolarHBondContact O-N 3.04Å; R474-H477 WeakPolarHBondContact O-CB 3.49Å; R474-H477 PolarHBondContact O-N 3.21Å; I475-H477 VanDerWaalsContact C-N 3.26Å; I475-H477 PolarHBondContact O-N 3.47Å; H477-E479 VanDerWaalsContact C-N 3.31Å; H477-E479 PolarHBondContact O-N 3.07Å; H477-K480 PolarHBondContact O-N 3.48Å; H477-K480 VanDerWaalsContact O-N 3.1Å; H477-L481 PolarHBondContact O-N 3.05Å; H477-L481 VanDerWaalsContact O-N 3.17Å
478	L	88.2	Confident	84.5	Confident	41 Å²	41	81.5 Å²	81.5	22%	0.215	43%	0.431	C	S	.	.	H	α-helix	trans	-60.2	-40.8	177.2	-169.1	70.6	0	0	0	111.8	R451 I454 I458 R474 I475 K480 L481	R451-L478 HydrophobicContact CB-CD1 4.12Å; R451-L478 HydrophobicContact CG-CD1 3.87Å; I454-L478 HydrophobicContact CB-CD1 4.34Å; I454-L478 HydrophobicContact CG2-CB 4.12Å; I454-L478 HydrophobicContact CG2-CD1 4.12Å; I458-L478 HydrophobicContact CD1-CD2 4.24Å; R474-L478 PolarHBondContact O-N 2.96Å; I475-L478 WeakPolarHBondContact O-CB 3.48Å; I475-L478 PolarHBondContact O-N 3.24Å; I475-L478 VanDerWaalsContact O-N 3.16Å; L478-K480 VanDerWaalsContact C-N 3.29Å; L478-K480 PolarHBondContact O-N 2.91Å; L478-L481 HydrophobicContact CD1-CD1 4.38Å; L478-L481 PolarHBondContact O-N 3.13Å
479	E	87.8	Confident	83.9	Confident	151 Å²	151	88.4 Å²	88.4	71%	0.706	45%	0.452	S	S	*	.	H	α-helix	trans	-66.6	-27.2	175.6	-71.6	175.6	172.6	0	0	113.5	I475 H477	I475-E479 WeakPolarHBondContact O-CG 3.48Å; I475-E479 PolarHBondContact O-N 3.24Å; H477-E479 VanDerWaalsContact C-N 3.31Å; H477-E479 PolarHBondContact O-N 3.07Å
480	K	89.5	Confident	82.9	Confident	175 Å²	175	89.8 Å²	89.8	76%	0.761	45%	0.449	S	S	*	.	H	α-helix	trans	-83.4	-20.4	177.9	-75.5	178.4	179.3	-172	0	113.5	K476 H477 L478	K476-K480 WeakPolarHBondContact O-CG 3.47Å; K476-K480 PolarHBondContact O-N 3.24Å; H477-K480 PolarHBondContact O-N 3.48Å; H477-K480 VanDerWaalsContact O-N 3.1Å; L478-K480 VanDerWaalsContact C-N 3.29Å; L478-K480 PolarHBondContact O-N 2.91Å
481	L	85.1	Confident	82	Confident	22 Å²	22	91.2 Å²	91.2	12%	0.115	46%	0.456	C	S	.	.	S	Bend	trans	-64.6	139.1	178.9	-74.6	174.4	0	0	0	110.3	E450 R451 I454 H477 L478	E450-L481 HydrophobicContact CG-CD1 4.36Å; R451-L481 HydrophobicContact CG-CD1 3.78Å; R451-L481 PolarHBondContact NH2-O 3.46Å; R451-L481 VanDerWaalsContact NH2-O 3.15Å; I454-L481 HydrophobicContact CD1-CD1 3.79Å; H477-L481 PolarHBondContact O-N 3.05Å; H477-L481 VanDerWaalsContact O-N 3.17Å; L478-L481 HydrophobicContact CD1-CD1 4.38Å; L478-L481 PolarHBondContact O-N 3.13Å
482	P	84.7	Confident	81.3	Confident	67 Å²	67	98.2 Å²	98.2	44%	0.435	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-55.5	148	-178.8	23.8	-33.8	0	0	0	111.3	L447 R451 L484	L447-P482 HydrophobicContact CD1-CG 4.08Å; L447-P482 HydrophobicContact CD2-CG 3.85Å; R451-P482 PolarHBondContact NH2-O 3.44Å; P482-L484 PolarHBondContact O-N 3.17Å
483	P	80.7	Confident	81	Confident	96 Å²	96	92.7 Å²	92.7	62%	0.623	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-56.2	133.4	179.2	24.6	-33.3	0	0	0	109.7	I485	P483-I485 PolarHBondContact O-N 3.14Å
484	L	77.4	Confident	80.8	Confident	52 Å²	52	93 Å²	93	27%	0.272	46%	0.459	S	S	.	.			trans	-75.1	99.1	179.3	-170.2	82.3	0	0	0	107.9	Y444 L447 K448 R451 P482	Y444-L484 HydrophobicContact CD2-CD1 3.72Å; Y444-L484 HydrophobicContact CD2-CD2 4.37Å; Y444-L484 HydrophobicContact CD2-CG 3.76Å; Y444-L484 HydrophobicContact CE2-CD1 3.81Å; Y444-L484 HydrophobicContact CE2-CD2 3.59Å; Y444-L484 HydrophobicContact CE2-CG 3.4Å; Y444-L484 HydrophobicContact CG-CD1 4.49Å; L447-L484 HydrophobicContact CB-CD1 3.86Å; K448-L484 HydrophobicContact CB-CD1 4.13Å; K448-L484 HydrophobicContact CB-CD2 4.46Å; K448-L484 HydrophobicContact CG-CD2 4.4Å; R451-L484 VanDerWaalsContact NH1-CB 3.29Å; P482-L484 PolarHBondContact O-N 3.17Å
485	I	80	Confident	80.7	Confident	130 Å²	130	89.1 Å²	89.1	67%	0.667	45%	0.445	S	S	*	.			trans	-96.3	114.1	176.7	-59.1	169.3	0	0	0	106.8	Y444 P483	Y444-I485 WeakPolarHBondContact CD2-O 3.46Å; P483-I485 PolarHBondContact O-N 3.14Å
486	P	80.9	Confident	80.7	Confident	85 Å²	85	93.8 Å²	93.8	55%	0.552	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-62.6	136	176.2	26.4	-32.6	0	0	0	109.8	Y444	Y444-P486 VanDerWaalsContact CE2-CA 3.46Å; Y444-P486 HydrophobicContact CE2-CB 3.94Å
487	P	78.5	Confident	80.6	Confident	17 Å²	17	88.8 Å²	88.8	11%	0.11	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-62	150	174.1	27	-33.4	0	0	0	109.4	L437 Q440 Q441 Y444 K489	L437-P487 HydrophobicContact CD1-CB 4.3Å; Q440-P487 HydrophobicContact CB-CB 4.19Å; Q441-P487 HydrophobicContact CB-CG 4.38Å; Y444-P487 HydrophobicContact CG-CG 4.43Å; P487-K489 PolarHBondContact O-N 3.49Å
488	E	71.6	Confident	80.5	Confident	92 Å²	92	86.3 Å²	86.3	43%	0.43	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-66.5	117.6	-179.3	-63.8	-178.6	166.7	0	0	109.4	N415 C416 L437 E490	N415-E488 PolarHBondContact ND2-OE2 3.24Å; C416-E488 PolarHBondContact SG-OE1 3.04Å; L437-E488 VanDerWaalsContact CD1-O 3.29Å; L437-E488 WeakPolarHBondContact CD1-O 3.44Å; E488-E490 PolarHBondContact O-N 3.18Å
489	K	67.5	Low	80.4	Confident	191 Å²	191	91 Å²	91	83%	0.83	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-71.7	128.1	176.4	-69.3	-174.6	178.7	-178	0	109.5	P487 L491	P487-K489 PolarHBondContact O-N 3.49Å; K489-L491 PolarHBondContact O-N 2.87Å; K489-L491 VanDerWaalsContact O-N 3.16Å
490	E	65.3	Low	80.2	Confident	120 Å²	120	84.8 Å²	84.8	56%	0.561	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-62.6	117.2	166.2	-70.1	-176	172.5	0	0	109	L437 E488 K492	L437-E490 HydrophobicContact CD2-CG 3.81Å; E488-E490 PolarHBondContact O-N 3.18Å; E490-K492 PolarHBondContact O-N 3.26Å; E490-K492 VanDerWaalsContact O-N 3.07Å
491	L	67.8	Low	79.9	Confident	108 Å²	108	82.8 Å²	82.8	57%	0.565	42%	0.42	S	S	*	.			trans	-79.4	92	175.8	-72.6	166.8	0	0	0	107.9	K489 V493	K489-L491 PolarHBondContact O-N 2.87Å; K489-L491 VanDerWaalsContact O-N 3.16Å; L491-V493 PolarHBondContact O-N 3.46Å
492	K	73.6	Confident	79.8	Confident	157 Å²	157	90.3 Å²	90.3	68%	0.683	45%	0.452	S	S	*	.			trans	-67.2	118.7	171.4	-171.1	171.2	-177.9	174.6	0	109.1	E490 V494	E490-K492 PolarHBondContact O-N 3.26Å; E490-K492 VanDerWaalsContact O-N 3.07Å; K492-V494 HydrophobicContact CG-CG2 4.38Å; K492-V494 PolarHBondContact O-N 3.38Å
493	V	78.2	Confident	79.9	Confident	4 Å²	4	88.1 Å²	88.1	2%	0.024	44%	0.436	C	S	.	.			trans	-80.3	115.3	172.5	-178	0	0	0	0	107.5	L491 I495 N614 E660 G664	L491-V493 PolarHBondContact O-N 3.46Å; V493-I495 HydrophobicContact CG1-CG1 4.1Å; V493-N614 HydrophobicContact CG1-CB 4.16Å; V493-E660 HydrophobicContact CG2-CB 4Å; V493-G664 WeakPolarHBondContact O-CA 3.44Å
494	V	84.2	Confident	80.3	Confident	76 Å²	76	87 Å²	87	46%	0.461	43%	0.431	S	S	.	.			trans	-103.7	119.1	174.4	-179.5	0	0	0	0	107.5	K492 R496	K492-V494 HydrophobicContact CG-CG2 4.38Å; K492-V494 PolarHBondContact O-N 3.38Å; V494-R496 HydrophobicContact CG1-CG 4.29Å
495	I	86.9	Confident	80.7	Confident	13 Å²	13	89 Å²	89	7%	0.067	45%	0.447	C	S	.	.			trans	-105.3	134.6	173.9	-59.9	-177.8	0	0	0	108	V493 N612 F613 T661 L665 A668	V493-I495 HydrophobicContact CG1-CG1 4.1Å; I495-N612 WeakPolarHBondContact CA-O 3.27Å; I495-F613 HydrophobicContact CG2-CD1 3.58Å; I495-F613 HydrophobicContact CG2-CE1 3.44Å; I495-F613 VanDerWaalsContact CG2-CE1 3.44Å; I495-F613 HydrophobicContact CG2-CG 4.31Å; I495-F613 HydrophobicContact CG2-CZ 4.11Å; I495-T661 HydrophobicContact CD1-CG2 3.91Å; I495-L665 HydrophobicContact CD1-CB 4.04Å; I495-A668 HydrophobicContact CB-CB 4.02Å; I495-A668 HydrophobicContact CG2-CB 3.95Å; I495-A668 WeakPolarHBondContact O-CB 3.11Å
496	R	88.1	Confident	81.1	Confident	165 Å²	165	86 Å²	86	62%	0.623	44%	0.436	S	S	*	.			trans	-121.9	115.1	176.3	-62.6	-177.2	-178.4	-169.5	-0.1	109.9	V494 N612	V494-R496 HydrophobicContact CG1-CG 4.29Å; R496-N612 HydrophobicContact CB-CB 4.21Å; R496-N612 PolarHBondContact N-O 3.29Å; R496-N612 VanDerWaalsContact N-O 3.09Å
497	L	89	Confident	81.6	Confident	27 Å²	27	82.1 Å²	82.1	14%	0.141	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-80.8	148.7	171.4	-65.6	171.8	0	0	0	109.7	F613 C641 L648 A668 L669 F672	L497-F613 HydrophobicContact CD2-CE1 4.39Å; L497-F613 HydrophobicContact CD2-CZ 3.91Å; L497-C641 WeakPolarHBondContact CD2-SG 3.48Å; L497-L648 HydrophobicContact CD1-CD1 4.12Å; L497-A668 HydrophobicContact CD1-CB 4.07Å; L497-A668 HydrophobicContact CG-CB 4.03Å; L497-L669 HydrophobicContact CD1-CD2 3.97Å; L497-F672 HydrophobicContact CB-CD2 4Å; L497-F672 HydrophobicContact CD1-CB 3.97Å; L497-F672 HydrophobicContact CD1-CD2 3.97Å; L497-F672 HydrophobicContact CD1-CG 4.14Å
498	P	85.7	Confident	82.4	Confident	24 Å²	24	81.3 Å²	81.3	16%	0.156	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-69.9	148.4	176.1	30.2	-35	0	0	0	110.9	C641	P498-C641 HydrophobicContact CG-CB 3.88Å
499	D	85.1	Confident	83.5	Confident	139 Å²	139	79.9 Å²	79.9	74%	0.743	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-68.3	146	169.9	-66.4	-38.8	0	0	0	110.6
500	C	84.2	Confident	84.8	Confident	20 Å²	20	70.9 Å²	70.9	14%	0.135	36%	0.359	C	S	.	.			trans	-118	153.1	177.8	68.6	0	0	0	0	111.8	P645	C500-P645 WeakPolarHBondContact CB-O 3.06Å
501	E	83.6	Confident	86.1	Confident	133 Å²	133	67.5 Å²	67.5	62%	0.621	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-65.2	137.3	169.8	-171.4	179.2	-174.4	0	0	110.2	L503 N646	E501-L503 PolarHBondContact O-N 3.45Å; E501-N646 PolarHBondContact O-ND2 3.16Å
502	K	82.2	Confident	87.2	Confident	181 Å²	181	68.1 Å²	68.1	79%	0.787	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-78.2	120.7	178.5	-66.1	-171.2	177.5	-170.2	0	109.9
503	L	87.8	Confident	88.1	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.11	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-97.6	150.1	175.4	-62.2	176.4	0	0	0	110.5	E501 L507 P533 L571 N646	E501-L503 PolarHBondContact O-N 3.45Å; L503-L507 HydrophobicContact CB-CD2 3.62Å; L503-L507 HydrophobicContact CD1-CD2 3.96Å; L503-L507 HydrophobicContact CG-CD2 4.4Å; L503-P533 WeakPolarHBondContact O-CG 3.25Å; L503-L571 HydrophobicContact CD1-CD1 4.29Å; L503-N646 HydrophobicContact CD1-CB 3.76Å; L503-N646 HydrophobicContact CG-CB 4.45Å
504	S	87.7	Confident	88.6	Confident	73 Å²	73	61.4 Å²	61.4	51%	0.51	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-70.7	140.3	174.3	51	0	0	0	0	111.2
505	P	87.6	Confident	88.9	Confident	93 Å²	93	58.6 Å²	58.6	60%	0.604	30%	0.299	S	S	*	.	S	Bend	trans	-68.9	155.5	175	29.6	-34.8	0	0	0	111.8
506	P	88.1	Confident	89	Confident	68 Å²	68	60.3 Å²	60.3	44%	0.442	31%	0.307	S	S	.	.	P	Polyproline II helix	cis	-76.5	146.9	-8.5	31.7	-33.8	0	0	0	112
507	L	91.9	Very high	88.8	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	30%	0.299	C	S	.	.	S	Bend	trans	-73.3	-49.1	172.8	-68.7	-173.2	0	0	0	110.6	L503 I531 P533 H568 L571	L503-L507 HydrophobicContact CB-CD2 3.62Å; L503-L507 HydrophobicContact CD1-CD2 3.96Å; L503-L507 HydrophobicContact CG-CD2 4.4Å; L507-I531 WeakPolarHBondContact CB-O 3.14Å; L507-I531 PolarHBondContact N-O 2.79Å; L507-P533 HydrophobicContact CD1-CB 4.34Å; L507-P533 HydrophobicContact CD1-CG 4.23Å; L507-P533 HydrophobicContact CD2-CG 3.99Å; L507-P533 HydrophobicContact CG-CG 3.95Å; L507-H568 PolarHBondContact O-N 3.24Å; L507-L571 HydrophobicContact CB-CD1 4.08Å; L507-L571 HydrophobicContact CD1-CD1 4.38Å; L507-L571 HydrophobicContact CD2-CD1 4.17Å; L507-L571 HydrophobicContact CG-CD1 4.45Å
508	L	93.9	Very high	88.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.3	-179.8	-171.6	153.5	0	0	0	109.7	L510 I531 L554 H566 A567 L571 I573	L508-L510 HydrophobicContact CD2-CD2 4.09Å; L508-L510 HydrophobicContact CD2-CG 4.09Å; L508-I531 HydrophobicContact CB-CB 4.37Å; L508-I531 HydrophobicContact CB-CD1 4.41Å; L508-I531 HydrophobicContact CD2-CD1 4.25Å; L508-I531 PolarHBondContact N-O 3.13Å; L508-I531 PolarHBondContact O-N 3.25Å; L508-L554 HydrophobicContact CD1-CB 4.48Å; L508-L554 HydrophobicContact CD1-CD2 4.41Å; L508-L554 WeakPolarHBondContact CD1-O 3.32Å; L508-L554 HydrophobicContact CD2-CD2 3.38Å; L508-H566 CarbonylContact C-O 3.37Å; L508-H566 VanDerWaalsContact CA-O 3.29Å; L508-H566 WeakPolarHBondContact CA-O 3.45Å; L508-A567 HydrophobicContact CG-CB 4.5Å; L508-L571 HydrophobicContact CB-CD2 4.31Å; L508-L571 HydrophobicContact CD1-CD2 4.34Å; L508-I573 HydrophobicContact CD1-CD1 4.43Å
509	Q	94.2	Very high	88.2	Confident	62 Å²	62	66.2 Å²	66.2	29%	0.29	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.8	177.7	-178.1	173.4	-5.7	0	0	110.3	D511 L529 H566	Q509-D511 WeakPolarHBondContact CG-OD1 3.43Å; Q509-D511 PolarHBondContact NE2-OD1 3.06Å; Q509-D511 PolarHBondContact NE2-OD2 2.93Å; Q509-L529 CarbonylContact C-O 3.53Å; Q509-L529 WeakPolarHBondContact CA-O 3.48Å; Q509-H566 HydrophobicContact CB-CB 4.35Å; Q509-H566 PolarHBondContact N-O 2.93Å; Q509-H566 PolarHBondContact O-N 2.92Å
510	L	94.6	Very high	87.7	Confident	1 Å²	1	66 Å²	66	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.1	169.3	-58.8	-177.3	0	0	0	107.7	L508 V513 V527 N528 L529 L550 L554 L564 R565	L508-L510 HydrophobicContact CD2-CD2 4.09Å; L508-L510 HydrophobicContact CD2-CG 4.09Å; L510-V513 HydrophobicContact CB-CB 4.4Å; L510-V513 HydrophobicContact CB-CG2 3.88Å; L510-V513 HydrophobicContact CD2-CG2 4.2Å; L510-V527 HydrophobicContact CD1-CG1 4.35Å; L510-N528 VanDerWaalsContact O-CA 3.32Å; L510-N528 WeakPolarHBondContact O-CA 3.24Å; L510-L529 HydrophobicContact CB-CB 4.39Å; L510-L529 HydrophobicContact CD1-CB 4.47Å; L510-L529 PolarHBondContact N-O 3.36Å; L510-L529 PolarHBondContact O-N 3.06Å; L510-L550 HydrophobicContact CD1-CD1 3.9Å; L510-L554 HydrophobicContact CD1-CD2 3.72Å; L510-L554 HydrophobicContact CG-CD2 4.09Å; L510-L564 WeakPolarHBondContact CA-O 3.48Å; L510-R565 HydrophobicContact CD2-CB 3.86Å; L510-R565 HydrophobicContact CD2-CG 3.74Å
511	D	93.6	Very high	87.4	Confident	49 Å²	49	72.2 Å²	72.2	26%	0.262	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.6	179.2	-65.1	-41.7	0	0	0	110	Q509 V513 G563 L564 H566	Q509-D511 WeakPolarHBondContact CG-OD1 3.43Å; Q509-D511 PolarHBondContact NE2-OD1 3.06Å; Q509-D511 PolarHBondContact NE2-OD2 2.93Å; D511-V513 PolarHBondContact O-N 3.32Å; D511-V513 VanDerWaalsContact O-N 3.14Å; D511-G563 CarbonylContact O-C 3.52Å; D511-G563 WeakPolarHBondContact O-CA 3.17Å; D511-L564 PolarHBondContact N-O 2.87Å; D511-L564 PolarHBondContact O-N 3.18Å; D511-H566 IonicContact OD2-CD2 3.89Å
512	E	91.6	Very high	87.3	Confident	122 Å²	122	68 Å²	68	57%	0.57	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.9	35.2	178.6	-59.3	-174.3	162.7	0	0	114	C514 V527 N528	E512-C514 PolarHBondContact O-N 2.97Å; E512-V527 PolarHBondContact N-O 3.47Å; E512-N528 PolarHBondContact N-OD1 3.1Å
513	V	91.1	Very high	87.4	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.4	-172.1	169.3	0	0	0	0	111.6	L510 D511 H526 V527 L553 P560 S562 L564	L510-V513 HydrophobicContact CB-CB 4.4Å; L510-V513 HydrophobicContact CB-CG2 3.88Å; L510-V513 HydrophobicContact CD2-CG2 4.2Å; D511-V513 PolarHBondContact O-N 3.32Å; D511-V513 VanDerWaalsContact O-N 3.14Å; V513-H526 PolarHBondContact O-N 3.31Å; V513-V527 HydrophobicContact CB-CB 4.39Å; V513-V527 PolarHBondContact N-O 3.07Å; V513-V527 PolarHBondContact O-N 3.04Å; V513-L553 HydrophobicContact CG1-CD1 4.02Å; V513-P560 HydrophobicContact CG1-CB 3.72Å; V513-P560 HydrophobicContact CG2-CB 4.26Å; V513-S562 CarbonylContact C-O 3.01Å; V513-S562 VanDerWaalsContact CA-O 3.32Å; V513-S562 WeakPolarHBondContact CA-O 3.34Å; V513-L564 WeakPolarHBondContact CG2-O 3.4Å
514	C	90.2	Very high	87.5	Confident	19 Å²	19	60.3 Å²	60.3	13%	0.128	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.2	171.5	-56.4	0	0	0	0	110.1	E512 L524 H526 T561 S562	E512-C514 PolarHBondContact O-N 2.97Å; C514-L524 WeakPolarHBondContact CA-O 3.34Å; C514-H526 PolarHBondContact SG-N 3.44Å; C514-H526 PolarHBondContact SG-ND1 3.48Å; C514-T561 WeakPolarHBondContact O-CB 3.44Å; C514-T561 PolarHBondContact O-N 2.94Å; C514-S562 PolarHBondContact N-O 3.38Å; C514-S562 PolarHBondContact O-N 3.46Å
515	F	90.5	Very high	87.5	Confident	16 Å²	16	58.8 Å²	58.8	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	138.6	178.8	-175.8	-92.2	0	0	0	112.9	Y517 I523 L524 T549 L553 L558 E559	F515-Y517 AromaticContact CE1-CD1 3.79Å; F515-Y517 HydrophobicContact CE1-CD1 3.79Å; F515-Y517 HydrophobicContact CE1-CD2 4.14Å; F515-Y517 AromaticContact CE1-CE1 3.67Å; F515-Y517 HydrophobicContact CE1-CE1 3.67Å; F515-Y517 AromaticContact CE1-CE2 3.99Å; F515-Y517 HydrophobicContact CE1-CE2 3.99Å; F515-Y517 HydrophobicContact CE1-CG 4Å; F515-Y517 AromaticContact CE1-CZ 3.75Å; F515-Y517 AromaticContact CZ-CD1 3.82Å; F515-Y517 HydrophobicContact CZ-CD1 3.82Å; F515-Y517 AromaticContact CZ-CE1 3.69Å; F515-Y517 HydrophobicContact CZ-CE1 3.69Å; F515-Y517 HydrophobicContact CZ-CG 4.44Å; F515-I523 PolarHBondContact O-N 2.88Å; F515-L524 HydrophobicContact CB-CB 4.33Å; F515-L524 PolarHBondContact N-O 3.41Å; F515-L524 PolarHBondContact O-N 3.21Å; F515-L524 VanDerWaalsContact O-N 3.09Å; F515-T549 HydrophobicContact CD1-CG2 3.35Å; F515-T549 HydrophobicContact CE1-CG2 3.57Å; F515-T549 HydrophobicContact CG-CG2 4.25Å; F515-L553 HydrophobicContact CB-CD1 3.95Å; F515-L553 HydrophobicContact CD2-CD2 4.06Å; F515-L553 HydrophobicContact CG-CD1 4.31Å; F515-L553 HydrophobicContact CG-CD2 4.44Å; F515-L558 HydrophobicContact CE1-CD1 4.05Å; F515-L558 HydrophobicContact CE2-CB 4.04Å; F515-L558 HydrophobicContact CE2-CD1 4.23Å; F515-L558 HydrophobicContact CE2-CD2 4.4Å; F515-L558 HydrophobicContact CE2-CG 4.45Å; F515-L558 HydrophobicContact CZ-CB 4.36Å; F515-L558 HydrophobicContact CZ-CD1 3.75Å; F515-L558 HydrophobicContact CZ-CD2 4.07Å; F515-L558 HydrophobicContact CZ-CG 4.28Å; F515-E559 WeakPolarHBondContact CD2-O 3.37Å; F515-E559 WeakPolarHBondContact CE2-O 3.44Å
516	H	88.1	Confident	87.5	Confident	49 Å²	49	59.9 Å²	59.9	23%	0.227	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	137.9	173.6	62.2	51.2	0	0	0	111.8	V518 T561	H516-V518 WeakPolarHBondContact CB-O 3.3Å; H516-T561 WeakPolarHBondContact NE2-CG2 3.35Å
517	Y	84.9	Confident	87.7	Confident	115 Å²	115	56.7 Å²	56.7	45%	0.451	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-31.4	167.6	-69.7	-64.6	0	0	0	111.6	F515 I523 T549 L558	F515-Y517 AromaticContact CE1-CD1 3.79Å; F515-Y517 HydrophobicContact CE1-CD1 3.79Å; F515-Y517 HydrophobicContact CE1-CD2 4.14Å; F515-Y517 AromaticContact CE1-CE1 3.67Å; F515-Y517 HydrophobicContact CE1-CE1 3.67Å; F515-Y517 AromaticContact CE1-CE2 3.99Å; F515-Y517 HydrophobicContact CE1-CE2 3.99Å; F515-Y517 HydrophobicContact CE1-CG 4Å; F515-Y517 AromaticContact CE1-CZ 3.75Å; F515-Y517 AromaticContact CZ-CD1 3.82Å; F515-Y517 HydrophobicContact CZ-CD1 3.82Å; F515-Y517 AromaticContact CZ-CE1 3.69Å; F515-Y517 HydrophobicContact CZ-CE1 3.69Å; F515-Y517 HydrophobicContact CZ-CG 4.44Å; Y517-I523 HydrophobicContact CD2-CD1 3.21Å; Y517-I523 HydrophobicContact CE2-CD1 3.61Å; Y517-I523 HydrophobicContact CG-CD1 4.22Å; Y517-T549 HydrophobicContact CE2-CG2 4.36Å; Y517-L558 HydrophobicContact CE1-CD1 4.35Å; Y517-L558 HydrophobicContact CE1-CD2 4.39Å
518	V	84.3	Confident	87.7	Confident	86 Å²	86	60.4 Å²	60.4	52%	0.521	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.9	178.9	-178.1	0	0	0	0	107.5	H516 D520 K521	H516-V518 WeakPolarHBondContact CB-O 3.3Å; V518-D520 PolarHBondContact O-N 3.25Å; V518-K521 CarbonylContact O-C 3.56Å; V518-K521 PolarHBondContact O-N 3.44Å
519	L	76.2	Confident	87.6	Confident	139 Å²	139	60.6 Å²	60.6	73%	0.728	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-38.4	-173.3	-71.5	160	0	0	0	113.4	K521	L519-K521 PolarHBondContact O-N 3.46Å
520	D	74.9	Confident	87.5	Confident	135 Å²	135	61 Å²	61	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.1	-176.1	-59.9	-38	0	0	0	114.9	V518	V518-D520 PolarHBondContact O-N 3.25Å
521	K	77.6	Confident	87.5	Confident	150 Å²	150	61 Å²	61	65%	0.652	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	79.1	-176.7	-66	-176.8	-177.8	177.8	0	110.5	V518 L519 I523	V518-K521 CarbonylContact O-C 3.56Å; V518-K521 PolarHBondContact O-N 3.44Å; L519-K521 PolarHBondContact O-N 3.46Å; K521-I523 PolarHBondContact O-N 3.5Å
522	P	82.3	Confident	87.4	Confident	46 Å²	46	60.6 Å²	60.6	30%	0.299	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	133.6	172.7	-12	25.4	0	0	0	110.6	K708 G709	P522-K708 WeakPolarHBondContact CB-O 3.33Å; P522-K708 WeakPolarHBondContact CD-O 3.32Å; P522-K708 WeakPolarHBondContact CG-O 3.35Å; P522-G709 VanDerWaalsContact O-CA 3.28Å; P522-G709 WeakPolarHBondContact O-CA 3.41Å
523	I	85.3	Confident	87.3	Confident	38 Å²	38	55.8 Å²	55.8	20%	0.195	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-44.4	177.6	-62.3	179.7	0	0	0	109.4	F515 Y517 K521 T549 S710	F515-I523 PolarHBondContact O-N 2.88Å; Y517-I523 HydrophobicContact CD2-CD1 3.21Å; Y517-I523 HydrophobicContact CE2-CD1 3.61Å; Y517-I523 HydrophobicContact CG-CD1 4.22Å; K521-I523 PolarHBondContact O-N 3.5Å; I523-T549 HydrophobicContact CG2-CG2 4.46Å; I523-S710 WeakPolarHBondContact O-CA 3.46Å; I523-S710 WeakPolarHBondContact O-CB 3.43Å; I523-S710 PolarHBondContact O-N 2.94Å; I523-S710 PolarHBondContact O-OG 3Å
524	L	88.5	Confident	87.3	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.7	178.7	-63.5	172.8	0	0	0	109.2	C514 F515 V527 T549 L550 L553 V712	C514-L524 WeakPolarHBondContact CA-O 3.34Å; F515-L524 HydrophobicContact CB-CB 4.33Å; F515-L524 PolarHBondContact N-O 3.41Å; F515-L524 PolarHBondContact O-N 3.21Å; F515-L524 VanDerWaalsContact O-N 3.09Å; L524-V527 HydrophobicContact CB-CG2 3.95Å; L524-V527 HydrophobicContact CD2-CG2 4.3Å; L524-T549 HydrophobicContact CD1-CG2 4.19Å; L524-L550 HydrophobicContact CD1-CB 4.13Å; L524-L550 HydrophobicContact CD1-CD1 4.38Å; L524-L553 HydrophobicContact CD1-CD1 3.41Å; L524-L553 VanDerWaalsContact CD1-CD1 3.41Å; L524-V712 HydrophobicContact CD2-CG2 3.96Å
525	N	88.1	Confident	87.4	Confident	41 Å²	41	61.2 Å²	61.2	22%	0.219	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119	-177	-164.1	18	0	0	0	111.3	V527 S710	N525-V527 PolarHBondContact O-N 3.02Å; N525-S710 PolarHBondContact N-O 3.03Å
526	H	88.4	Confident	87.6	Confident	117 Å²	117	61.9 Å²	61.9	54%	0.542	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.9	50.8	176	-63	43.6	0	0	0	113	V513 C514 N528	V513-H526 PolarHBondContact O-N 3.31Å; C514-H526 PolarHBondContact SG-N 3.44Å; C514-H526 PolarHBondContact SG-ND1 3.48Å; H526-N528 PolarHBondContact O-N 3.2Å
527	V	90.8	Very high	87.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.7	179.4	178.1	0	0	0	0	110.1	L510 E512 V513 L524 N525 L529 L550 V712	L510-V527 HydrophobicContact CD1-CG1 4.35Å; E512-V527 PolarHBondContact N-O 3.47Å; V513-V527 HydrophobicContact CB-CB 4.39Å; V513-V527 PolarHBondContact N-O 3.07Å; V513-V527 PolarHBondContact O-N 3.04Å; L524-V527 HydrophobicContact CB-CG2 3.95Å; L524-V527 HydrophobicContact CD2-CG2 4.3Å; N525-V527 PolarHBondContact O-N 3.02Å; V527-L529 HydrophobicContact CG1-CB 4.46Å; V527-L550 HydrophobicContact CG1-CD1 4.06Å; V527-V712 HydrophobicContact CG1-CB 3.96Å; V527-V712 HydrophobicContact CG1-CG1 4.25Å; V527-V712 HydrophobicContact CG1-CG2 4.27Å; V527-V712 HydrophobicContact CG2-CB 3.99Å; V527-V712 HydrophobicContact CG2-CG2 3.76Å
528	N	92.2	Very high	88.3	Confident	81 Å²	81	54.1 Å²	54.1	43%	0.433	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.4	172	-66.9	-47.1	0	0	0	109.1	L510 E512 H526 W694	L510-N528 VanDerWaalsContact O-CA 3.32Å; L510-N528 WeakPolarHBondContact O-CA 3.24Å; E512-N528 PolarHBondContact N-OD1 3.1Å; H526-N528 PolarHBondContact O-N 3.2Å; N528-W694 VanDerWaalsContact O-CH2 3.32Å; N528-W694 WeakPolarHBondContact O-CH2 3.22Å; N528-W694 VanDerWaalsContact O-CZ3 3.27Å; N528-W694 WeakPolarHBondContact O-CZ3 3.37Å
529	L	92.7	Very high	88.7	Confident	5 Å²	5	50 Å²	50	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	124.7	-177.6	176.7	64.4	0	0	0	110.3	Q509 L510 V527 I531 I537 L554 W694	Q509-L529 CarbonylContact C-O 3.53Å; Q509-L529 WeakPolarHBondContact CA-O 3.48Å; L510-L529 HydrophobicContact CB-CB 4.39Å; L510-L529 HydrophobicContact CD1-CB 4.47Å; L510-L529 PolarHBondContact N-O 3.36Å; L510-L529 PolarHBondContact O-N 3.06Å; V527-L529 HydrophobicContact CG1-CB 4.46Å; L529-I531 HydrophobicContact CG-CG1 4.43Å; L529-I537 HydrophobicContact CD1-CD1 4.27Å; L529-L554 HydrophobicContact CD2-CD1 4.4Å; L529-L554 HydrophobicContact CD2-CD2 4.05Å; L529-W694 HydrophobicContact CB-CH2 4.48Å; L529-W694 HydrophobicContact CD1-CD2 3.72Å; L529-W694 VanDerWaalsContact CD1-CE2 3.43Å; L529-W694 HydrophobicContact CD1-CE3 3.96Å; L529-W694 HydrophobicContact CD1-CG 4.43Å; L529-W694 HydrophobicContact CD1-CH2 3.63Å; L529-W694 HydrophobicContact CD1-CZ2 3.39Å; L529-W694 HydrophobicContact CD1-CZ3 3.91Å
530	S	92.8	Very high	89.4	Confident	69 Å²	69	43.5 Å²	43.5	48%	0.483	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.5	175.4	58.2	0	0	0	0	110.9
531	I	93.9	Very high	89.9	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.2	-177.7	-53.6	-179.7	0	0	0	108.4	L507 L508 L529 I537 L554 L647 V677	L507-I531 WeakPolarHBondContact CB-O 3.14Å; L507-I531 PolarHBondContact N-O 2.79Å; L508-I531 HydrophobicContact CB-CB 4.37Å; L508-I531 HydrophobicContact CB-CD1 4.41Å; L508-I531 HydrophobicContact CD2-CD1 4.25Å; L508-I531 PolarHBondContact N-O 3.13Å; L508-I531 PolarHBondContact O-N 3.25Å; L529-I531 HydrophobicContact CG-CG1 4.43Å; I531-I537 HydrophobicContact CG1-CD1 3.9Å; I531-I537 HydrophobicContact CG2-CD1 4.49Å; I531-L554 HydrophobicContact CD1-CD1 4.37Å; I531-L554 HydrophobicContact CD1-CD2 3.93Å; I531-L647 HydrophobicContact CD1-CD2 4.44Å; I531-L647 HydrophobicContact CG2-CD1 3.89Å; I531-V677 HydrophobicContact CD1-CG2 3.77Å
532	S	92.3	Very high	90.2	Very high	39 Å²	39	32.8 Å²	32.8	27%	0.273	18%	0.179	S	C	.	.			trans	-107.8	166.9	174.9	75.4	0	0	0	0	111.1	D534 S535	S532-D534 PolarHBondContact O-N 3.49Å; S532-S535 PolarHBondContact N-OG 3.17Å; S532-S535 WeakPolarHBondContact O-CB 3.37Å; S532-S535 PolarHBondContact O-N 2.9Å; S532-S535 VanDerWaalsContact O-N 3.11Å; S532-S535 PolarHBondContact O-OG 3.05Å; S532-S535 PolarHBondContact OG-N 2.85Å; S532-S535 PolarHBondContact OG-OG 3.01Å
533	P	89.3	Confident	90.1	Very high	22 Å²	22	32.8 Å²	32.8	14%	0.143	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.7	176.4	-23.1	33.3	0	0	0	114.3	L503 L507 R536 G674 G675	L503-P533 WeakPolarHBondContact O-CG 3.25Å; L507-P533 HydrophobicContact CD1-CB 4.34Å; L507-P533 HydrophobicContact CD1-CG 4.23Å; L507-P533 HydrophobicContact CD2-CG 3.99Å; L507-P533 HydrophobicContact CG-CG 3.95Å; P533-R536 PolarHBondContact O-NH1 2.85Å; P533-G674 CarbonylContact O-C 3.58Å; P533-G675 WeakPolarHBondContact O-CA 3.37Å; P533-G675 PolarHBondContact O-N 3.39Å; P533-G675 VanDerWaalsContact O-N 3.08Å
534	D	89.7	Confident	89.7	Confident	126 Å²	126	33.7 Å²	33.7	67%	0.674	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.2	-179.5	-57.7	-40.9	0	0	0	112.6	S532 R536	S532-D534 PolarHBondContact O-N 3.49Å; D534-R536 PolarHBondContact O-N 3.47Å; D534-R536 PolarHBondContact O-NH1 2.8Å
535	S	92.4	Very high	89.4	Confident	7 Å²	7	33.7 Å²	33.7	5%	0.049	20%	0.196	C	C	.	.			trans	-65	133.5	-179.2	-68.5	0	0	0	0	111.2	S532 V676	S532-S535 PolarHBondContact N-OG 3.17Å; S532-S535 WeakPolarHBondContact O-CB 3.37Å; S532-S535 PolarHBondContact O-N 2.9Å; S532-S535 VanDerWaalsContact O-N 3.11Å; S532-S535 PolarHBondContact O-OG 3.05Å; S532-S535 PolarHBondContact OG-N 2.85Å; S532-S535 PolarHBondContact OG-OG 3.01Å; S535-V676 PolarHBondContact O-N 3.34Å
536	R	94.1	Very high	89.2	Confident	31 Å²	31	32.1 Å²	32.1	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	82.1	174.1	-58.2	-71.6	-178.5	-85.7	3.5	109.4	P533 D534 F672 G674 V689 C690 N691 E692	P533-R536 PolarHBondContact O-NH1 2.85Å; D534-R536 PolarHBondContact O-N 3.47Å; D534-R536 PolarHBondContact O-NH1 2.8Å; R536-F672 PolarHBondContact NH2-O 3.36Å; R536-G674 VanDerWaalsContact CZ-O 3.23Å; R536-G674 PolarHBondContact NH1-O 3.02Å; R536-G674 PolarHBondContact NH2-O 3.45Å; R536-V689 WeakPolarHBondContact CB-O 3.33Å; R536-V689 WeakPolarHBondContact CG-O 3.33Å; R536-C690 CarbonylContact O-C 3.55Å; R536-C690 VanDerWaalsContact O-CA 3.29Å; R536-C690 WeakPolarHBondContact O-CA 3.48Å; R536-C690 WeakPolarHBondContact O-CB 3.47Å; R536-N691 WeakPolarHBondContact CA-OD1 3.35Å; R536-N691 WeakPolarHBondContact CB-OD1 3.48Å; R536-N691 PolarHBondContact N-OD1 3.05Å; R536-N691 PolarHBondContact O-N 3.08Å; R536-N691 PolarHBondContact O-OD1 3.43Å; R536-E692 PolarHBondContact O-N 3.33Å
537	I	94.6	Very high	89.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129	-169.2	-67.8	160.3	0	0	0	109.8	L529 I531 I539 V676 V677 L678 E692 W694	L529-I537 HydrophobicContact CD1-CD1 4.27Å; I531-I537 HydrophobicContact CG1-CD1 3.9Å; I531-I537 HydrophobicContact CG2-CD1 4.49Å; I537-I539 HydrophobicContact CG2-CG1 4.08Å; I537-V676 PolarHBondContact N-O 2.82Å; I537-V677 HydrophobicContact CB-CG2 4.46Å; I537-V677 CarbonylContact O-C 3.57Å; I537-V677 WeakPolarHBondContact O-CA 3.49Å; I537-L678 PolarHBondContact O-N 2.89Å; I537-E692 HydrophobicContact CG1-CB 4.33Å; I537-W694 HydrophobicContact CG2-CB 4.48Å; I537-W694 HydrophobicContact CG2-CG 4.14Å
538	S	94.4	Very high	89	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.3	165.6	-177.5	0	0	0	0	109.8	L678 E692 V693 W694	S538-L678 CarbonylContact C-O 3.54Å; S538-L678 VanDerWaalsContact CA-O 3.27Å; S538-L678 WeakPolarHBondContact CA-O 3.45Å; S538-E692 PolarHBondContact N-O 3.06Å; S538-V693 CarbonylContact O-C 3.33Å; S538-V693 WeakPolarHBondContact O-CA 3.49Å; S538-W694 PolarHBondContact O-N 3.04Å
539	I	92.9	Very high	88.8	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.9	173.9	-61.5	166.5	0	0	0	108.2	I537 K547 L550 L551 L554 V677 L678 V679 W694	I537-I539 HydrophobicContact CG2-CG1 4.08Å; I539-K547 HydrophobicContact CG2-CB 4.47Å; I539-K547 HydrophobicContact CG2-CG 4.18Å; I539-L550 HydrophobicContact CD1-CD2 3.91Å; I539-L550 HydrophobicContact CG2-CD2 4.3Å; I539-L551 HydrophobicContact CD1-CD2 3.8Å; I539-L554 HydrophobicContact CD1-CD1 4.44Å; I539-V677 HydrophobicContact CD1-CG1 3.53Å; I539-V677 HydrophobicContact CG1-CG1 4.25Å; I539-L678 PolarHBondContact N-O 2.86Å; I539-V679 HydrophobicContact CB-CG2 4.02Å; I539-V679 HydrophobicContact CG2-CG2 4.43Å; I539-W694 CarbonylContact C-O 3.59Å; I539-W694 WeakPolarHBondContact CA-O 3.34Å
540	V	90.3	Very high	88.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	157.3	178.9	-58	0	0	0	0	111	I686 V693 W694 V695 C696 L719 Y722	V540-I686 HydrophobicContact CG1-CD1 4.35Å; V540-V693 HydrophobicContact CG1-CG1 4.16Å; V540-V693 HydrophobicContact CG2-CG1 3.64Å; V540-W694 PolarHBondContact N-O 3.29Å; V540-V695 HydrophobicContact CG2-CB 4.34Å; V540-V695 HydrophobicContact CG2-CG2 3.69Å; V540-V695 CarbonylContact O-C 3.51Å; V540-V695 WeakPolarHBondContact O-CA 3.4Å; V540-C696 PolarHBondContact O-N 2.98Å; V540-L719 HydrophobicContact CG1-CD1 4.45Å; V540-Y722 HydrophobicContact CB-CE1 4.25Å; V540-Y722 HydrophobicContact CG2-CD1 4.09Å; V540-Y722 HydrophobicContact CG2-CD2 4.2Å; V540-Y722 HydrophobicContact CG2-CE1 4.13Å; V540-Y722 HydrophobicContact CG2-CE2 4.26Å; V540-Y722 HydrophobicContact CG2-CG 4.12Å
541	G	86	Confident	88.8	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.5	167.4	-178.9	0	0	0	0	0	112.3	K547	G541-K547 WeakPolarHBondContact O-CE 3.24Å; G541-K547 PolarHBondContact O-NZ 3.32Å
542	E	82.7	Confident	88.7	Confident	59 Å²	59	27.8 Å²	27.8	28%	0.276	16%	0.159	S	C	.	.			trans	-63.8	153.7	179.9	-59.1	-178.9	163.4	0	0	112	R378 G544 A545	R378-E542 WeakPolarHBondContact CD-OE1 3.33Å; R378-E542 IonicContact CZ-OE1 2.71Å; R378-E542 IonicContact NE-OE1 3.23Å; R378-E542 IonicContact NH1-OE1 3.61Å; R378-E542 PolarHBondContact NH1-OE1 3.45Å; E542-G544 PolarHBondContact O-N 2.85Å; E542-A545 HydrophobicContact CB-CB 4.41Å; E542-A545 WeakPolarHBondContact O-CB 3.33Å; E542-A545 PolarHBondContact O-N 3.44Å
543	N	80.1	Confident	88.8	Confident	46 Å²	46	26 Å²	26	25%	0.246	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	129.5	172.2	-78.3	4.7	0	0	0	110.6	R352 M374 D376 K547	R352-N543 VanDerWaalsContact NH2-CG 3.25Å; R352-N543 PolarHBondContact NH2-ND2 2.83Å; M374-N543 PolarHBondContact O-ND2 3.06Å; D376-N543 WeakPolarHBondContact OD2-CB 3.37Å; D376-N543 PolarHBondContact OD2-N 3Å; N543-K547 PolarHBondContact OD1-NZ 3.47Å
544	G	76.8	Confident	88.9	Confident	58 Å²	58	25 Å²	25	60%	0.598	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	2	-172	0	0	0	0	0	115.1	E542 G546	E542-G544 PolarHBondContact O-N 2.85Å; G544-G546 PolarHBondContact O-N 3.26Å
545	A	83.1	Confident	89.1	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.008	12%	0.116	C	C	.	.	S	Bend	trans	-66.9	-18.6	172.3	0	0	0	0	0	113.1	E542 C696 S710	E542-A545 HydrophobicContact CB-CB 4.41Å; E542-A545 WeakPolarHBondContact O-CB 3.33Å; E542-A545 PolarHBondContact O-N 3.44Å; A545-C696 HydrophobicContact CB-CB 4.32Å; A545-C696 WeakPolarHBondContact CB-O 3.33Å; A545-C696 PolarHBondContact O-SG 3.48Å; A545-S710 WeakPolarHBondContact O-CB 3.08Å; A545-S710 PolarHBondContact O-OG 3.08Å
546	G	83	Confident	89	Confident	7 Å²	7	22 Å²	22	7%	0.072	13%	0.133	C	C	.	.	S	Bend	trans	111.4	14.1	-179.9	0	0	0	0	0	114.8	G544 T548 T549 L550	G544-G546 PolarHBondContact O-N 3.26Å; G546-T548 PolarHBondContact O-N 2.76Å; G546-T549 WeakPolarHBondContact O-CB 3.39Å; G546-T549 PolarHBondContact O-N 2.99Å; G546-T549 VanDerWaalsContact O-N 3.12Å; G546-L550 PolarHBondContact O-N 3.1Å
547	K	88.1	Confident	88.8	Confident	13 Å²	13	26.2 Å²	26.2	6%	0.057	15%	0.154	C	C	.	.	H	α-helix	trans	-50.3	-55.5	176.9	-61.3	-178.9	-66.7	-173.7	0	112.3	I539 G541 N543 T549 L550 L551 V679 H681 C696	I539-K547 HydrophobicContact CG2-CB 4.47Å; I539-K547 HydrophobicContact CG2-CG 4.18Å; G541-K547 WeakPolarHBondContact O-CE 3.24Å; G541-K547 PolarHBondContact O-NZ 3.32Å; N543-K547 PolarHBondContact OD1-NZ 3.47Å; K547-T549 VanDerWaalsContact C-N 3.3Å; K547-T549 PolarHBondContact O-N 3.23Å; K547-L550 WeakPolarHBondContact O-CB 3.5Å; K547-L550 PolarHBondContact O-N 3.09Å; K547-L550 VanDerWaalsContact O-N 3.12Å; K547-L551 WeakPolarHBondContact O-CG 3.25Å; K547-L551 PolarHBondContact O-N 2.84Å; K547-V679 HydrophobicContact CD-CG1 4.06Å; K547-H681 PolarHBondContact NZ-CE1 2.91Å; K547-H681 VanDerWaalsContact NZ-CE1 3.29Å; K547-H681 PolarHBondContact NZ-NE2 2.85Å; K547-C696 HydrophobicContact CG-CB 4.38Å
548	T	87	Confident	88.7	Confident	57 Å²	57	27.9 Å²	27.9	35%	0.35	16%	0.162	S	C	.	.	H	α-helix	trans	-62.8	-35.8	178.2	-46.1	0	0	0	0	112.2	G546 L551 R552	G546-T548 PolarHBondContact O-N 2.76Å; T548-L551 PolarHBondContact O-N 2.8Å; T548-R552 WeakPolarHBondContact O-CG 3.44Å; T548-R552 PolarHBondContact O-N 3.18Å
549	T	88.8	Confident	88.6	Confident	13 Å²	13	35.9 Å²	35.9	8%	0.08	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-41.7	174.6	-53.9	0	0	0	0	111.3	F515 Y517 I523 L524 G546 K547 R552 L553 L558	F515-T549 HydrophobicContact CD1-CG2 3.35Å; F515-T549 HydrophobicContact CE1-CG2 3.57Å; F515-T549 HydrophobicContact CG-CG2 4.25Å; Y517-T549 HydrophobicContact CE2-CG2 4.36Å; I523-T549 HydrophobicContact CG2-CG2 4.46Å; L524-T549 HydrophobicContact CD1-CG2 4.19Å; G546-T549 WeakPolarHBondContact O-CB 3.39Å; G546-T549 PolarHBondContact O-N 2.99Å; G546-T549 VanDerWaalsContact O-N 3.12Å; K547-T549 VanDerWaalsContact C-N 3.3Å; K547-T549 PolarHBondContact O-N 3.23Å; T549-R552 PolarHBondContact O-N 2.86Å; T549-L553 WeakPolarHBondContact O-CG 3.37Å; T549-L553 PolarHBondContact O-N 3.33Å; T549-L558 HydrophobicContact CG2-CD1 4.02Å
550	L	92.1	Very high	88.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-44.9	173.2	178.6	63.1	0	0	0	110.8	L510 L524 V527 I539 G546 K547 R552 L553 L554 V712	L510-L550 HydrophobicContact CD1-CD1 3.9Å; L524-L550 HydrophobicContact CD1-CB 4.13Å; L524-L550 HydrophobicContact CD1-CD1 4.38Å; V527-L550 HydrophobicContact CG1-CD1 4.06Å; I539-L550 HydrophobicContact CD1-CD2 3.91Å; I539-L550 HydrophobicContact CG2-CD2 4.3Å; G546-L550 PolarHBondContact O-N 3.1Å; K547-L550 WeakPolarHBondContact O-CB 3.5Å; K547-L550 PolarHBondContact O-N 3.09Å; K547-L550 VanDerWaalsContact O-N 3.12Å; L550-R552 VanDerWaalsContact C-N 3.35Å; L550-R552 PolarHBondContact O-N 2.9Å; L550-L553 WeakPolarHBondContact O-CB 3.04Å; L550-L553 PolarHBondContact O-N 3.17Å; L550-L554 WeakPolarHBondContact O-CG 3.31Å; L550-L554 PolarHBondContact O-N 2.48Å; L550-V712 HydrophobicContact CD2-CG1 4.05Å; L550-V712 HydrophobicContact CD2-CG2 4.13Å
551	L	93.1	Very high	88.6	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-44.3	175.3	-63.8	-168.9	0	0	0	112.2	I539 K547 T548 L553 L554 L555 Y575 V649 D651 V677 V679	I539-L551 HydrophobicContact CD1-CD2 3.8Å; K547-L551 WeakPolarHBondContact O-CG 3.25Å; K547-L551 PolarHBondContact O-N 2.84Å; T548-L551 PolarHBondContact O-N 2.8Å; L551-L553 VanDerWaalsContact C-N 3.32Å; L551-L553 PolarHBondContact O-N 3.26Å; L551-L554 HydrophobicContact CD2-CD1 4.2Å; L551-L554 CarbonylContact O-C 3.57Å; L551-L554 WeakPolarHBondContact O-CA 3.42Å; L551-L554 WeakPolarHBondContact O-CB 3.18Å; L551-L554 PolarHBondContact O-N 2.88Å; L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3.47Å; L551-L555 PolarHBondContact O-N 3.36Å; L551-Y575 HydrophobicContact CD1-CE2 4.23Å; L551-V649 HydrophobicContact CB-CG1 4.37Å; L551-V649 HydrophobicContact CD1-CG1 4.12Å; L551-V649 HydrophobicContact CD2-CG1 3.7Å; L551-V649 HydrophobicContact CG-CG1 4.28Å; L551-D651 HydrophobicContact CD1-CB 3.68Å; L551-V677 HydrophobicContact CD2-CG1 4.07Å; L551-V679 HydrophobicContact CD1-CG2 3.76Å; L551-V679 HydrophobicContact CD2-CG2 3.98Å; L551-V679 HydrophobicContact CG-CG2 4.09Å
552	R	92.2	Very high	88.8	Confident	99 Å²	99	44.5 Å²	44.5	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-35.7	177.8	-71.8	-177.8	179.6	168.3	-0.2	113.1	T548 T549 L550 L555 G556 E557 L558	T548-R552 WeakPolarHBondContact O-CG 3.44Å; T548-R552 PolarHBondContact O-N 3.18Å; T549-R552 PolarHBondContact O-N 2.86Å; L550-R552 VanDerWaalsContact C-N 3.35Å; L550-R552 PolarHBondContact O-N 2.9Å; R552-L555 PolarHBondContact O-N 3.36Å; R552-G556 PolarHBondContact O-N 2.99Å; R552-E557 HydrophobicContact CB-CB 4.39Å; R552-E557 PolarHBondContact O-N 3.24Å; R552-L558 HydrophobicContact CB-CD1 3.59Å; R552-L558 HydrophobicContact CB-CG 3.83Å; R552-L558 HydrophobicContact CG-CD1 4.45Å; R552-L558 PolarHBondContact O-N 3.47Å
553	L	93.1	Very high	89.2	Confident	2 Å²	2	43 Å²	43	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-41.7	169.9	-71.7	166.8	0	0	0	111.1	V513 F515 L524 T549 L550 L551 L555 G556 L558 P560 R565	V513-L553 HydrophobicContact CG1-CD1 4.02Å; F515-L553 HydrophobicContact CB-CD1 3.95Å; F515-L553 HydrophobicContact CD2-CD2 4.06Å; F515-L553 HydrophobicContact CG-CD1 4.31Å; F515-L553 HydrophobicContact CG-CD2 4.44Å; L524-L553 HydrophobicContact CD1-CD1 3.41Å; L524-L553 VanDerWaalsContact CD1-CD1 3.41Å; T549-L553 WeakPolarHBondContact O-CG 3.37Å; T549-L553 PolarHBondContact O-N 3.33Å; L550-L553 WeakPolarHBondContact O-CB 3.04Å; L550-L553 PolarHBondContact O-N 3.17Å; L551-L553 VanDerWaalsContact C-N 3.32Å; L551-L553 PolarHBondContact O-N 3.26Å; L553-L555 VanDerWaalsContact C-N 3.33Å; L553-L555 PolarHBondContact O-N 2.97Å; L553-G556 PolarHBondContact O-N 3.43Å; L553-G556 VanDerWaalsContact O-N 3.17Å; L553-L558 HydrophobicContact CD2-CB 3.83Å; L553-L558 WeakPolarHBondContact CD2-O 3.39Å; L553-L558 HydrophobicContact CG-CB 4.26Å; L553-P560 HydrophobicContact CD2-CB 4.46Å; L553-R565 WeakPolarHBondContact O-CD 3.33Å; L553-R565 PolarHBondContact O-NE 2.76Å
554	L	92.7	Very high	89.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-41	174.2	-64.7	174.9	0	0	0	111.7	L508 L510 L529 I531 I539 L550 L551 G556 R565 V677	L508-L554 HydrophobicContact CD1-CB 4.48Å; L508-L554 HydrophobicContact CD1-CD2 4.41Å; L508-L554 WeakPolarHBondContact CD1-O 3.32Å; L508-L554 HydrophobicContact CD2-CD2 3.38Å; L510-L554 HydrophobicContact CD1-CD2 3.72Å; L510-L554 HydrophobicContact CG-CD2 4.09Å; L529-L554 HydrophobicContact CD2-CD1 4.4Å; L529-L554 HydrophobicContact CD2-CD2 4.05Å; I531-L554 HydrophobicContact CD1-CD1 4.37Å; I531-L554 HydrophobicContact CD1-CD2 3.93Å; I539-L554 HydrophobicContact CD1-CD1 4.44Å; L550-L554 WeakPolarHBondContact O-CG 3.31Å; L550-L554 PolarHBondContact O-N 2.48Å; L551-L554 HydrophobicContact CD2-CD1 4.2Å; L551-L554 CarbonylContact O-C 3.57Å; L551-L554 WeakPolarHBondContact O-CA 3.42Å; L551-L554 WeakPolarHBondContact O-CB 3.18Å; L551-L554 PolarHBondContact O-N 2.88Å; L554-G556 PolarHBondContact O-N 2.94Å; L554-R565 PolarHBondContact O-NE 3.24Å; L554-R565 PolarHBondContact O-NH2 2.88Å; L554-V677 HydrophobicContact CD1-CG1 4.24Å
555	L	92.7	Very high	90.7	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-25.5	176.7	-64.7	169.7	0	0	0	112.8	L551 R552 L553 E557 R565 I573 Y575 V649	L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3.47Å; L551-L555 PolarHBondContact O-N 3.36Å; R552-L555 PolarHBondContact O-N 3.36Å; L553-L555 VanDerWaalsContact C-N 3.33Å; L553-L555 PolarHBondContact O-N 2.97Å; L555-E557 HydrophobicContact CB-CG 4.06Å; L555-R565 PolarHBondContact O-NH2 3.41Å; L555-I573 HydrophobicContact CD2-CB 4.38Å; L555-I573 HydrophobicContact CD2-CG2 3.64Å; L555-Y575 HydrophobicContact CD1-CD1 3.57Å; L555-Y575 HydrophobicContact CD1-CD2 3.75Å; L555-Y575 HydrophobicContact CD1-CE1 3.74Å; L555-Y575 HydrophobicContact CD1-CE2 3.96Å; L555-Y575 HydrophobicContact CD1-CG 3.58Å; L555-Y575 HydrophobicContact CD2-CD2 4.24Å; L555-Y575 HydrophobicContact CD2-CG 4Å; L555-Y575 HydrophobicContact CG-CG 4.43Å; L555-V649 HydrophobicContact CD2-CB 4.47Å; L555-V649 HydrophobicContact CD2-CG2 4.41Å
556	G	90.9	Very high	91.2	Very high	39 Å²	39	50.9 Å²	50.9	40%	0.402	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	16.2	-174	0	0	0	0	0	113.4	R552 L553 L554 L558	R552-G556 PolarHBondContact O-N 2.99Å; L553-G556 PolarHBondContact O-N 3.43Å; L553-G556 VanDerWaalsContact O-N 3.17Å; L554-G556 PolarHBondContact O-N 2.94Å; G556-L558 VanDerWaalsContact C-N 3.32Å
557	E	90.9	Very high	91.7	Very high	120 Å²	120	52.7 Å²	52.7	56%	0.561	29%	0.29	S	S	*	.	S	Bend	trans	-75.4	-25.2	172.9	-66.3	-179.7	176.8	0	0	112.1	R552 L555	R552-E557 HydrophobicContact CB-CB 4.39Å; R552-E557 PolarHBondContact O-N 3.24Å; L555-E557 HydrophobicContact CB-CG 4.06Å
558	L	92.1	Very high	91.9	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.178	30%	0.299	C	S	.	.	S	Bend	trans	-115.4	138.2	174.6	-64.7	175.5	0	0	0	109.3	F515 Y517 T549 R552 L553 G556	F515-L558 HydrophobicContact CE1-CD1 4.05Å; F515-L558 HydrophobicContact CE2-CB 4.04Å; F515-L558 HydrophobicContact CE2-CD1 4.23Å; F515-L558 HydrophobicContact CE2-CD2 4.4Å; F515-L558 HydrophobicContact CE2-CG 4.45Å; F515-L558 HydrophobicContact CZ-CB 4.36Å; F515-L558 HydrophobicContact CZ-CD1 3.75Å; F515-L558 HydrophobicContact CZ-CD2 4.07Å; F515-L558 HydrophobicContact CZ-CG 4.28Å; Y517-L558 HydrophobicContact CE1-CD1 4.35Å; Y517-L558 HydrophobicContact CE1-CD2 4.39Å; T549-L558 HydrophobicContact CG2-CD1 4.02Å; R552-L558 HydrophobicContact CB-CD1 3.59Å; R552-L558 HydrophobicContact CB-CG 3.83Å; R552-L558 HydrophobicContact CG-CD1 4.45Å; R552-L558 PolarHBondContact O-N 3.47Å; L553-L558 HydrophobicContact CD2-CB 3.83Å; L553-L558 WeakPolarHBondContact CD2-O 3.39Å; L553-L558 HydrophobicContact CG-CB 4.26Å; G556-L558 VanDerWaalsContact C-N 3.32Å
559	E	91.4	Very high	92.1	Very high	168 Å²	168	63.9 Å²	63.9	79%	0.785	33%	0.328	S	S	*	.			trans	-87.4	136.2	170.5	-66.2	-172.5	160.9	0	0	110	F515	F515-E559 WeakPolarHBondContact CD2-O 3.37Å; F515-E559 WeakPolarHBondContact CE2-O 3.44Å
560	P	91.9	Very high	92.1	Very high	38 Å²	38	66.5 Å²	66.5	25%	0.247	35%	0.347	C	S	.	.			trans	-64.7	140.5	175.3	29.6	-35.2	0	0	0	110.3	V513 L553 S562	V513-P560 HydrophobicContact CG1-CB 3.72Å; V513-P560 HydrophobicContact CG2-CB 4.26Å; L553-P560 HydrophobicContact CD2-CB 4.46Å; P560-S562 VanDerWaalsContact C-N 3.34Å
561	T	91.6	Very high	92.2	Very high	75 Å²	75	67.8 Å²	67.8	46%	0.46	35%	0.353	S	S	.	.	S	Bend	trans	-71.5	-35.2	175	-49.4	0	0	0	0	111.1	C514 H516	C514-T561 WeakPolarHBondContact O-CB 3.44Å; C514-T561 PolarHBondContact O-N 2.94Å; H516-T561 WeakPolarHBondContact NE2-CG2 3.35Å
562	S	91.2	Very high	92.1	Very high	71 Å²	71	71.9 Å²	71.9	50%	0.497	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158	172.8	-179.1	0	0	0	0	108.5	V513 C514 P560	V513-S562 CarbonylContact C-O 3.01Å; V513-S562 VanDerWaalsContact CA-O 3.32Å; V513-S562 WeakPolarHBondContact CA-O 3.34Å; C514-S562 PolarHBondContact N-O 3.38Å; C514-S562 PolarHBondContact O-N 3.46Å; P560-S562 VanDerWaalsContact C-N 3.34Å
563	G	90.8	Very high	92.2	Very high	28 Å²	28	69.3 Å²	69.3	29%	0.289	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.7	-177.5	-174.6	0	0	0	0	0	113	D511	D511-G563 CarbonylContact O-C 3.52Å; D511-G563 WeakPolarHBondContact O-CA 3.17Å
564	L	92.8	Very high	92.2	Very high	102 Å²	102	69.3 Å²	69.3	53%	0.534	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139	-173	-66.7	169.6	0	0	0	111.4	L510 D511 V513	L510-L564 WeakPolarHBondContact CA-O 3.48Å; D511-L564 PolarHBondContact N-O 2.87Å; D511-L564 PolarHBondContact O-N 3.18Å; V513-L564 WeakPolarHBondContact CG2-O 3.4Å
565	R	94.2	Very high	92.1	Very high	75 Å²	75	71.1 Å²	71.1	28%	0.283	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.1	168.5	175.5	-178.1	177.1	-83.9	1.4	109	L510 L553 L554 L555	L510-R565 HydrophobicContact CD2-CB 3.86Å; L510-R565 HydrophobicContact CD2-CG 3.74Å; L553-R565 WeakPolarHBondContact O-CD 3.33Å; L553-R565 PolarHBondContact O-NE 2.76Å; L554-R565 PolarHBondContact O-NE 3.24Å; L554-R565 PolarHBondContact O-NH2 2.88Å; L555-R565 PolarHBondContact O-NH2 3.41Å
566	H	93.6	Very high	92.1	Very high	93 Å²	93	69.9 Å²	69.9	43%	0.431	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.6	174.9	-66.6	-56.9	0	0	0	109.9	L508 Q509 D511	L508-H566 CarbonylContact C-O 3.37Å; L508-H566 VanDerWaalsContact CA-O 3.29Å; L508-H566 WeakPolarHBondContact CA-O 3.45Å; Q509-H566 HydrophobicContact CB-CB 4.35Å; Q509-H566 PolarHBondContact N-O 2.93Å; Q509-H566 PolarHBondContact O-N 2.92Å; D511-H566 IonicContact OD2-CD2 3.89Å
567	A	93.5	Very high	91.8	Very high	46 Å²	46	68.5 Å²	68.5	38%	0.38	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.2	176.1	0	0	0	0	0	110.1	L508 R569 L571	L508-A567 HydrophobicContact CG-CB 4.5Å; A567-R569 PolarHBondContact O-N 3.18Å; A567-L571 HydrophobicContact CB-CD2 4.28Å
568	H	92.9	Very high	91	Very high	54 Å²	54	66 Å²	66	25%	0.25	34%	0.335	C	S	.	.			trans	-61.6	134.4	175.8	-174.8	-84.6	0	0	0	110.1	L507 S570 L571	L507-H568 PolarHBondContact O-N 3.24Å; H568-S570 PolarHBondContact ND1-N 3.12Å; H568-S570 PolarHBondContact O-N 3.46Å; H568-S570 VanDerWaalsContact O-N 3.12Å; H568-L571 HydrophobicContact CB-CB 4.25Å; H568-L571 WeakPolarHBondContact O-CB 3.31Å; H568-L571 PolarHBondContact O-N 3.41Å
569	R	91	Very high	90.2	Very high	250 Å²	250	69.9 Å²	69.9	94%	0.943	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-31	-170.1	-162.6	179.8	-177.1	-157.4	1.1	114.1	A567	A567-R569 PolarHBondContact O-N 3.18Å
570	S	90.4	Very high	89.2	Confident	68 Å²	68	63.7 Å²	63.7	48%	0.476	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10.1	178.3	-47.8	0	0	0	0	113.7	H568 R572	H568-S570 PolarHBondContact ND1-N 3.12Å; H568-S570 PolarHBondContact O-N 3.46Å; H568-S570 VanDerWaalsContact O-N 3.12Å; S570-R572 PolarHBondContact O-N 2.92Å
571	L	92.2	Very high	88.1	Confident	28 Å²	28	62.9 Å²	62.9	15%	0.147	32%	0.317	C	S	.	.			trans	-65.7	121.3	-178.5	-178	68.5	0	0	0	110.7	L503 L507 L508 A567 H568 I573 N646 L647	L503-L571 HydrophobicContact CD1-CD1 4.29Å; L507-L571 HydrophobicContact CB-CD1 4.08Å; L507-L571 HydrophobicContact CD1-CD1 4.38Å; L507-L571 HydrophobicContact CD2-CD1 4.17Å; L507-L571 HydrophobicContact CG-CD1 4.45Å; L508-L571 HydrophobicContact CB-CD2 4.31Å; L508-L571 HydrophobicContact CD1-CD2 4.34Å; A567-L571 HydrophobicContact CB-CD2 4.28Å; H568-L571 HydrophobicContact CB-CB 4.25Å; H568-L571 WeakPolarHBondContact O-CB 3.31Å; H568-L571 PolarHBondContact O-N 3.41Å; L571-I573 HydrophobicContact CD2-CD1 3.83Å; L571-I573 HydrophobicContact CD2-CG1 3.81Å; L571-I573 HydrophobicContact CG-CD1 4.42Å; L571-I573 HydrophobicContact CG-CG1 3.85Å; L571-N646 HydrophobicContact CD1-CB 4.31Å; L571-L647 HydrophobicContact CD1-CB 3.98Å; L571-L647 HydrophobicContact CD2-CD2 4.45Å
572	R	92.4	Very high	87.1	Confident	88 Å²	88	65 Å²	65	33%	0.332	33%	0.326	S	S	.	.			trans	-104.3	124	166.7	-63.8	-176.8	-61.4	-84.1	0.2	109.5	S570 S643 S644 P645 N646 L647	S570-R572 PolarHBondContact O-N 2.92Å; R572-S643 PolarHBondContact NE-O 3.09Å; R572-S644 PolarHBondContact NE-O 3.42Å; R572-S644 PolarHBondContact NH2-O 2.63Å; R572-P645 CarbonylContact O-C 3.59Å; R572-P645 WeakPolarHBondContact O-CA 3.47Å; R572-N646 PolarHBondContact N-OD1 3.44Å; R572-N646 PolarHBondContact O-N 3.45Å; R572-L647 PolarHBondContact O-N 3.07Å
573	I	93.4	Very high	86.4	Confident	44 Å²	44	67.9 Å²	67.9	23%	0.226	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.2	180	-50	177.2	0	0	0	109.2	L508 L555 L571 L647 V649	L508-I573 HydrophobicContact CD1-CD1 4.43Å; L555-I573 HydrophobicContact CD2-CB 4.38Å; L555-I573 HydrophobicContact CD2-CG2 3.64Å; L571-I573 HydrophobicContact CD2-CD1 3.83Å; L571-I573 HydrophobicContact CD2-CG1 3.81Å; L571-I573 HydrophobicContact CG-CD1 4.42Å; L571-I573 HydrophobicContact CG-CG1 3.85Å; I573-L647 CarbonylContact C-O 3.54Å; I573-L647 WeakPolarHBondContact CA-O 3.02Å; I573-L647 HydrophobicContact CD1-CD2 4.39Å; I573-L647 HydrophobicContact CG1-CB 4.48Å; I573-L647 HydrophobicContact CG1-CD2 4.3Å; I573-L647 HydrophobicContact CG2-CD2 4.48Å; I573-L647 HydrophobicContact CG2-CG 4.42Å; I573-V649 HydrophobicContact CG2-CB 4.34Å; I573-V649 HydrophobicContact CG2-CG2 3.61Å
574	G	92.7	Very high	86	Confident	2 Å²	2	67 Å²	67	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110.1	169.2	0	0	0	0	0	108.4	P645 L647 L648 V649	G574-P645 VanDerWaalsContact N-CB 3.27Å; G574-L647 PolarHBondContact N-O 3.23Å; G574-L648 WeakPolarHBondContact O-CA 3.37Å; G574-V649 PolarHBondContact O-N 3.46Å
575	Y	92.5	Very high	85.8	Confident	39 Å²	39	65.3 Å²	65.3	15%	0.153	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.3	176.6	-176.8	-138.8	0	0	0	110.2	L551 L555 S577 H580 V649 D651	L551-Y575 HydrophobicContact CD1-CE2 4.23Å; L555-Y575 HydrophobicContact CD1-CD1 3.57Å; L555-Y575 HydrophobicContact CD1-CD2 3.75Å; L555-Y575 HydrophobicContact CD1-CE1 3.74Å; L555-Y575 HydrophobicContact CD1-CE2 3.96Å; L555-Y575 HydrophobicContact CD1-CG 3.58Å; L555-Y575 HydrophobicContact CD2-CD2 4.24Å; L555-Y575 HydrophobicContact CD2-CG 4Å; L555-Y575 HydrophobicContact CG-CG 4.43Å; Y575-S577 VanDerWaalsContact CE1-CB 3.45Å; Y575-S577 VanDerWaalsContact CZ-CB 3.46Å; Y575-S577 WeakPolarHBondContact OH-CB 3.44Å; Y575-H580 PolarHBondContact O-CE1 2.93Å; Y575-H580 PolarHBondContact O-ND1 3.28Å; Y575-V649 CarbonylContact C-O 3.58Å; Y575-V649 WeakPolarHBondContact CA-O 3.4Å; Y575-V649 HydrophobicContact CD2-CB 4.08Å; Y575-V649 HydrophobicContact CD2-CG1 3.87Å; Y575-V649 WeakPolarHBondContact CD2-O 3.48Å; Y575-V649 HydrophobicContact CE2-CG1 4.19Å; Y575-D651 HydrophobicContact CE2-CB 4.21Å
576	F	91.1	Very high	85.4	Confident	6 Å²	6	66 Å²	66	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	109.2	166.2	-171.9	-88.3	0	0	0	108	A636 F637 M640 V649 L650 D651 P653	F576-A636 HydrophobicContact CD2-CB 4.48Å; F576-A636 HydrophobicContact CE2-CB 3.81Å; F576-F637 HydrophobicContact CD1-CZ 4.29Å; F576-F637 AromaticContact CD2-CD1 3.96Å; F576-F637 HydrophobicContact CD2-CD1 3.96Å; F576-F637 HydrophobicContact CD2-CD2 4.37Å; F576-F637 AromaticContact CD2-CE1 3.8Å; F576-F637 HydrophobicContact CD2-CE1 3.8Å; F576-F637 HydrophobicContact CD2-CE2 4.21Å; F576-F637 HydrophobicContact CD2-CG 4.22Å; F576-F637 AromaticContact CD2-CZ 3.9Å; F576-F637 HydrophobicContact CD2-CZ 3.9Å; F576-F637 HydrophobicContact CE1-CE2 4.43Å; F576-F637 HydrophobicContact CE1-CZ 4.21Å; F576-F637 HydrophobicContact CE2-CD1 4.24Å; F576-F637 AromaticContact CE2-CD2 3.81Å; F576-F637 HydrophobicContact CE2-CD2 3.81Å; F576-F637 HydrophobicContact CE2-CE1 4.12Å; F576-F637 AromaticContact CE2-CE2 3.66Å; F576-F637 HydrophobicContact CE2-CE2 3.66Å; F576-F637 HydrophobicContact CE2-CG 4.07Å; F576-F637 AromaticContact CE2-CZ 3.81Å; F576-F637 HydrophobicContact CE2-CZ 3.81Å; F576-F637 HydrophobicContact CG-CE1 4.08Å; F576-F637 HydrophobicContact CG-CZ 4.15Å; F576-F637 HydrophobicContact CZ-CD2 4.34Å; F576-F637 AromaticContact CZ-CE2 3.79Å; F576-F637 HydrophobicContact CZ-CE2 3.79Å; F576-F637 AromaticContact CZ-CZ 3.97Å; F576-F637 HydrophobicContact CZ-CZ 3.97Å; F576-M640 HydrophobicContact CB-SD 3.95Å; F576-V649 PolarHBondContact N-O 3Å; F576-L650 HydrophobicContact CB-CD2 3.54Å; F576-L650 HydrophobicContact CG-CD2 4.44Å; F576-D651 WeakPolarHBondContact O-CB 3.5Å; F576-D651 PolarHBondContact O-N 3.08Å; F576-P653 HydrophobicContact CD1-CB 4.33Å; F576-P653 HydrophobicContact CE1-CB 4.48Å
577	S	85.3	Confident	85.2	Confident	9 Å²	9	70.3 Å²	70.3	6%	0.063	34%	0.338	C	S	.	.			trans	-94.3	156.3	177.4	77.3	0	0	0	0	111.9	Y575 H579 H580	Y575-S577 VanDerWaalsContact CE1-CB 3.45Å; Y575-S577 VanDerWaalsContact CZ-CB 3.46Å; Y575-S577 WeakPolarHBondContact OH-CB 3.44Å; S577-H579 PolarHBondContact O-N 3.43Å; S577-H579 PolarHBondContact OG-N 3.3Å; S577-H580 PolarHBondContact N-ND1 2.9Å; S577-H580 WeakPolarHBondContact O-CB 3.34Å; S577-H580 PolarHBondContact O-N 3.29Å; S577-H580 PolarHBondContact OG-CD2 2.98Å; S577-H580 VanDerWaalsContact OG-CG 3.28Å; S577-H580 PolarHBondContact OG-N 3.49Å; S577-H580 VanDerWaalsContact OG-N 3.13Å; S577-H580 PolarHBondContact OG-NE2 3.25Å
578	Q	74.8	Confident	85.1	Confident	68 Å²	68	69 Å²	69	32%	0.318	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.8	173.5	-171.6	175.5	14.5	0	0	112.8
579	H	74.5	Confident	85.1	Confident	115 Å²	115	66.8 Å²	66.8	53%	0.532	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	8.2	-179.4	-63.4	-64.8	0	0	0	113.8	S577 V581 D582 Q583	S577-H579 PolarHBondContact O-N 3.43Å; S577-H579 PolarHBondContact OG-N 3.3Å; H579-V581 PolarHBondContact O-N 2.98Å; H579-D582 IonicContact CG-OD2 3.13Å; H579-D582 IonicContact ND1-OD2 2.84Å; H579-D582 PolarHBondContact ND1-OD2 3.21Å; H579-D582 WeakPolarHBondContact O-CB 3.47Å; H579-D582 PolarHBondContact O-N 3.38Å; H579-Q583 PolarHBondContact O-N 2.98Å
580	H	69.3	Low	85	Confident	39 Å²	39	54.9 Å²	54.9	18%	0.181	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.4	-179.8	-92	-179.2	0	0	0	113.1	Y575 S577 D582 Q583 A636	Y575-H580 PolarHBondContact O-CE1 2.93Å; Y575-H580 PolarHBondContact O-ND1 3.28Å; S577-H580 PolarHBondContact N-ND1 2.9Å; S577-H580 WeakPolarHBondContact O-CB 3.34Å; S577-H580 PolarHBondContact O-N 3.29Å; S577-H580 PolarHBondContact OG-CD2 2.98Å; S577-H580 VanDerWaalsContact OG-CG 3.28Å; S577-H580 PolarHBondContact OG-N 3.49Å; S577-H580 VanDerWaalsContact OG-N 3.13Å; S577-H580 PolarHBondContact OG-NE2 3.25Å; H580-D582 VanDerWaalsContact C-N 3.3Å; H580-Q583 PolarHBondContact CD2-OE1 3.22Å; H580-Q583 VanDerWaalsContact CD2-OE1 3.31Å; H580-Q583 PolarHBondContact O-N 2.79Å; H580-A636 HydrophobicContact CB-CB 4.38Å
581	V	69.3	Low	85.1	Confident	20 Å²	20	52 Å²	52	12%	0.121	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-37.6	174.9	176.5	0	0	0	0	111.1	H579 Q583 L584 K632	H579-V581 PolarHBondContact O-N 2.98Å; V581-Q583 VanDerWaalsContact C-N 3.28Å; V581-Q583 PolarHBondContact O-N 3.35Å; V581-L584 WeakPolarHBondContact O-CB 3.38Å; V581-L584 PolarHBondContact O-N 3.47Å; V581-K632 HydrophobicContact CG1-CB 3.68Å; V581-K632 HydrophobicContact CG1-CD 3.72Å; V581-K632 HydrophobicContact CG1-CG 4.33Å; V581-K632 HydrophobicContact CG2-CB 4.41Å
582	D	71	Confident	85.1	Confident	120 Å²	120	55.2 Å²	55.2	64%	0.642	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-23	179.4	-56.6	-34.8	0	0	0	112.4	H579 H580 L584	H579-D582 IonicContact CG-OD2 3.13Å; H579-D582 IonicContact ND1-OD2 2.84Å; H579-D582 PolarHBondContact ND1-OD2 3.21Å; H579-D582 WeakPolarHBondContact O-CB 3.47Å; H579-D582 PolarHBondContact O-N 3.38Å; H580-D582 VanDerWaalsContact C-N 3.3Å; D582-L584 VanDerWaalsContact C-N 3.33Å
583	Q	77.1	Confident	85	Confident	132 Å²	132	52.2 Å²	52.2	62%	0.617	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.9	176.9	-65.5	176.7	13.6	0	0	113.5	H579 H580 V581	H579-Q583 PolarHBondContact O-N 2.98Å; H580-Q583 PolarHBondContact CD2-OE1 3.22Å; H580-Q583 VanDerWaalsContact CD2-OE1 3.31Å; H580-Q583 PolarHBondContact O-N 2.79Å; V581-Q583 VanDerWaalsContact C-N 3.28Å; V581-Q583 PolarHBondContact O-N 3.35Å
584	L	83	Confident	84.9	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	24%	0.242	C	C	.	.	S	Bend	trans	-71.8	134.6	176.4	-62.1	173.7	0	0	0	110	V581 D582 L586 F593 I624 K632	V581-L584 WeakPolarHBondContact O-CB 3.38Å; V581-L584 PolarHBondContact O-N 3.47Å; D582-L584 VanDerWaalsContact C-N 3.33Å; L584-L586 PolarHBondContact O-N 3.04Å; L584-F593 HydrophobicContact CD2-CD1 4.27Å; L584-F593 HydrophobicContact CD2-CE1 3.53Å; L584-F593 HydrophobicContact CD2-CE2 3.92Å; L584-F593 HydrophobicContact CD2-CZ 3.34Å; L584-I624 HydrophobicContact CB-CD1 4.42Å; L584-I624 HydrophobicContact CB-CG2 3.92Å; L584-I624 HydrophobicContact CD1-CG2 3.95Å; L584-K632 HydrophobicContact CD1-CB 4.02Å
585	D	86.8	Confident	84.8	Confident	66 Å²	66	53.8 Å²	53.8	35%	0.353	26%	0.26	S	S	.	.			trans	-69.8	105	173.3	-172.7	-13.6	0	0	0	109.7	K587 L588	D585-K587 PolarHBondContact O-N 3.28Å; D585-K587 VanDerWaalsContact O-N 3.15Å; D585-K587 PolarHBondContact OD1-N 3.14Å; D585-K587 VanDerWaalsContact OD1-N 3.11Å; D585-L588 HydrophobicContact CB-CD1 3.9Å; D585-L588 HydrophobicContact CB-CG 4.08Å; D585-L588 PolarHBondContact O-N 3.12Å; D585-L588 WeakPolarHBondContact OD2-CD1 3.36Å; D585-L588 WeakPolarHBondContact OD2-CG 3.35Å
586	L	87.5	Confident	84.7	Confident	88 Å²	88	60.1 Å²	60.1	46%	0.461	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.4	-174.4	-58.5	-178.3	0	0	0	113.4	L584 I624 G625	L584-L586 PolarHBondContact O-N 3.04Å; L586-I624 HydrophobicContact CD2-CG2 4.21Å; L586-G625 WeakPolarHBondContact O-CA 3.28Å; L586-G625 PolarHBondContact O-N 2.78Å
587	K	89.2	Confident	84.6	Confident	185 Å²	185	65.5 Å²	65.5	80%	0.804	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-28.8	-178.7	-63.2	-176.7	179.3	179.6	0	112.7	D585	D585-K587 PolarHBondContact O-N 3.28Å; D585-K587 VanDerWaalsContact O-N 3.15Å; D585-K587 PolarHBondContact OD1-N 3.14Å; D585-K587 VanDerWaalsContact OD1-N 3.11Å
588	L	91.2	Very high	84.8	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.089	32%	0.315	C	S	.	.	S	Bend	trans	-82.6	153.8	-175.5	-59.6	178.6	0	0	0	111.8	D585 E592 R596 P623 I624	D585-L588 HydrophobicContact CB-CD1 3.9Å; D585-L588 HydrophobicContact CB-CG 4.08Å; D585-L588 PolarHBondContact O-N 3.12Å; D585-L588 WeakPolarHBondContact OD2-CD1 3.36Å; D585-L588 WeakPolarHBondContact OD2-CG 3.35Å; L588-E592 HydrophobicContact CB-CB 4.44Å; L588-R596 VanDerWaalsContact CD2-CZ 3.4Å; L588-P623 CarbonylContact O-C 3.6Å; L588-P623 WeakPolarHBondContact O-CA 3.45Å; L588-I624 WeakPolarHBondContact O-CG1 3.47Å; L588-I624 PolarHBondContact O-N 2.9Å
589	S	91.8	Very high	85.3	Confident	9 Å²	9	69 Å²	69	6%	0.063	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-70.6	158.3	165.3	67.2	0	0	0	0	111.4	L591 E592 F593 L621 Q622	S589-L591 PolarHBondContact O-N 2.96Å; S589-E592 WeakPolarHBondContact CB-OE2 3.32Å; S589-E592 PolarHBondContact N-OE2 2.96Å; S589-E592 PolarHBondContact O-N 3.04Å; S589-E592 VanDerWaalsContact OG-CB 3.28Å; S589-E592 WeakPolarHBondContact OG-CB 3.38Å; S589-E592 WeakPolarHBondContact OG-CG 3.43Å; S589-E592 PolarHBondContact OG-N 3.49Å; S589-E592 PolarHBondContact OG-OE2 2.84Å; S589-F593 WeakPolarHBondContact O-CB 3.46Å; S589-F593 PolarHBondContact O-N 3.21Å; S589-L621 WeakPolarHBondContact CB-O 3.44Å; S589-Q622 WeakPolarHBondContact CA-O 3.36Å
590	S	90.3	Very high	85.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-35.8	178.7	-56.8	0	0	0	0	112	L594 A620 L627 V635	S590-L594 WeakPolarHBondContact O-CG 3.11Å; S590-L594 PolarHBondContact O-N 2.82Å; S590-A620 PolarHBondContact N-O 3.37Å; S590-L627 WeakPolarHBondContact OG-CD1 3.37Å; S590-V635 WeakPolarHBondContact OG-CG2 3.35Å
591	L	91.7	Very high	86.6	Confident	8 Å²	8	73.7 Å²	73.7	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-68.9	-50.4	177	-177.4	63.5	0	0	0	111.6	S589 F593 L594 M595 E603 Y606 R607 L610 A620 L621	S589-L591 PolarHBondContact O-N 2.96Å; L591-F593 VanDerWaalsContact C-N 3.28Å; L591-F593 PolarHBondContact O-N 2.97Å; L591-L594 PolarHBondContact O-N 2.81Å; L591-M595 HydrophobicContact CG-SD 4.08Å; L591-M595 WeakPolarHBondContact O-CG 3.46Å; L591-M595 PolarHBondContact O-N 3.03Å; L591-E603 HydrophobicContact CD1-CG 4.07Å; L591-E603 HydrophobicContact CD2-CG 3.86Å; L591-E603 WeakPolarHBondContact CD2-OE1 3.45Å; L591-E603 HydrophobicContact CG-CG 4.34Å; L591-Y606 HydrophobicContact CD1-CD2 4.36Å; L591-Y606 HydrophobicContact CD1-CG 4.42Å; L591-R607 HydrophobicContact CD1-CG 4.02Å; L591-R607 HydrophobicContact CD2-CG 4.47Å; L591-L610 HydrophobicContact CB-CD1 4.45Å; L591-L610 HydrophobicContact CD1-CD1 4.39Å; L591-A620 PolarHBondContact N-O 3.33Å; L591-A620 VanDerWaalsContact N-O 3.13Å; L591-L621 HydrophobicContact CD2-CD2 4.15Å
592	E	91.9	Very high	87.6	Confident	94 Å²	94	76.7 Å²	76.7	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-38.2	177.7	-73	163.7	157.1	0	0	112	L588 S589 L594 M595 R596	L588-E592 HydrophobicContact CB-CB 4.44Å; S589-E592 WeakPolarHBondContact CB-OE2 3.32Å; S589-E592 PolarHBondContact N-OE2 2.96Å; S589-E592 PolarHBondContact O-N 3.04Å; S589-E592 VanDerWaalsContact OG-CB 3.28Å; S589-E592 WeakPolarHBondContact OG-CB 3.38Å; S589-E592 WeakPolarHBondContact OG-CG 3.43Å; S589-E592 PolarHBondContact OG-N 3.49Å; S589-E592 PolarHBondContact OG-OE2 2.84Å; E592-L594 PolarHBondContact O-N 3.2Å; E592-M595 PolarHBondContact O-N 2.94Å; E592-R596 WeakPolarHBondContact O-CB 3.48Å; E592-R596 WeakPolarHBondContact O-CG 3.3Å; E592-R596 PolarHBondContact O-N 2.9Å
593	F	91.8	Very high	88.4	Confident	26 Å²	26	74.9 Å²	74.9	11%	0.114	36%	0.363	C	S	.	.	H	α-helix	trans	-58.2	-46.1	175.7	173.5	-101.5	0	0	0	111.9	L584 S589 L591 K597 I624 V635 A639	L584-F593 HydrophobicContact CD2-CD1 4.27Å; L584-F593 HydrophobicContact CD2-CE1 3.53Å; L584-F593 HydrophobicContact CD2-CE2 3.92Å; L584-F593 HydrophobicContact CD2-CZ 3.34Å; S589-F593 WeakPolarHBondContact O-CB 3.46Å; S589-F593 PolarHBondContact O-N 3.21Å; L591-F593 VanDerWaalsContact C-N 3.28Å; L591-F593 PolarHBondContact O-N 2.97Å; F593-K597 HydrophobicContact CE1-CD 4.43Å; F593-K597 HydrophobicContact CZ-CD 4.17Å; F593-K597 WeakPolarHBondContact O-CB 3.49Å; F593-K597 PolarHBondContact O-N 2.88Å; F593-I624 HydrophobicContact CB-CD1 3.68Å; F593-I624 HydrophobicContact CD1-CD1 4.35Å; F593-I624 HydrophobicContact CD2-CD1 4.25Å; F593-I624 HydrophobicContact CG-CD1 3.84Å; F593-V635 HydrophobicContact CD1-CG1 4.16Å; F593-V635 HydrophobicContact CE1-CG1 4.5Å; F593-A639 HydrophobicContact CE1-CB 3.86Å
594	L	90.7	Very high	89	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-40	176.7	-68	177.6	0	0	0	112.3	S590 L591 E592 K597 F598 Y606 L610 V638 A639 M642	S590-L594 WeakPolarHBondContact O-CG 3.11Å; S590-L594 PolarHBondContact O-N 2.82Å; L591-L594 PolarHBondContact O-N 2.81Å; E592-L594 PolarHBondContact O-N 3.2Å; L594-K597 PolarHBondContact O-N 2.96Å; L594-F598 PolarHBondContact O-N 3.3Å; L594-Y606 HydrophobicContact CB-CD1 3.8Å; L594-Y606 HydrophobicContact CB-CE1 4.34Å; L594-Y606 HydrophobicContact CB-CG 4.19Å; L594-L610 HydrophobicContact CD1-CD1 4.02Å; L594-L610 HydrophobicContact CD1-CD2 3.71Å; L594-L610 HydrophobicContact CD1-CG 3.68Å; L594-V638 HydrophobicContact CD1-CG1 3.63Å; L594-V638 HydrophobicContact CD2-CG1 4.14Å; L594-A639 HydrophobicContact CD2-CB 3.92Å; L594-M642 HydrophobicContact CD2-CG 4.29Å
595	M	90.9	Very high	89.3	Confident	78 Å²	78	78.1 Å²	78.1	38%	0.384	38%	0.381	S	S	.	.	H	α-helix	trans	-61.4	-44.9	177.1	-71.4	175.9	71.4	0	0	111.8	L591 E592 F598 P599 E603 Y606	L591-M595 HydrophobicContact CG-SD 4.08Å; L591-M595 WeakPolarHBondContact O-CG 3.46Å; L591-M595 PolarHBondContact O-N 3.03Å; E592-M595 PolarHBondContact O-N 2.94Å; M595-F598 CarbonylContact O-C 3.59Å; M595-P599 WeakPolarHBondContact O-CA 3.47Å; M595-E603 HydrophobicContact SD-CG 4.44Å; M595-Y606 HydrophobicContact CB-CE2 4.24Å; M595-Y606 HydrophobicContact CG-CD2 3.48Å; M595-Y606 VanDerWaalsContact CG-CD2 3.48Å; M595-Y606 HydrophobicContact CG-CE2 3.4Å; M595-Y606 HydrophobicContact CG-CG 4.41Å
596	R	90.3	Very high	89.5	Confident	172 Å²	172	75.1 Å²	75.1	65%	0.649	37%	0.365	S	S	*	.	H	α-helix	trans	-66.6	-40.5	177.2	-73.1	-169.7	-174.1	-177.1	-0.3	112.4	L588 E592	L588-R596 VanDerWaalsContact CD2-CZ 3.4Å; E592-R596 WeakPolarHBondContact O-CB 3.48Å; E592-R596 WeakPolarHBondContact O-CG 3.3Å; E592-R596 PolarHBondContact O-N 2.9Å
597	K	88	Confident	89.7	Confident	119 Å²	119	75.2 Å²	75.2	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-73	-31.9	-177.9	-168.4	171	-178.7	175.2	0	112.7	F593 L594	F593-K597 HydrophobicContact CE1-CD 4.43Å; F593-K597 HydrophobicContact CZ-CD 4.17Å; F593-K597 WeakPolarHBondContact O-CB 3.49Å; F593-K597 PolarHBondContact O-N 2.88Å; L594-K597 PolarHBondContact O-N 2.96Å
598	F	89	Confident	89.7	Confident	52 Å²	52	69.5 Å²	69.5	23%	0.228	34%	0.342	C	S	.	.			trans	-134.4	69	-175	-61	-76.1	0	0	0	112	L594 M595 N600 Y606 A639 M642	L594-F598 PolarHBondContact O-N 3.3Å; M595-F598 CarbonylContact O-C 3.59Å; F598-N600 PolarHBondContact O-N 3.14Å; F598-Y606 HydrophobicContact CB-CE1 4.28Å; F598-Y606 PolarHBondContact O-OH 3.13Å; F598-A639 WeakPolarHBondContact CE2-O 3.37Å; F598-A639 WeakPolarHBondContact CZ-O 3.27Å; F598-M642 HydrophobicContact CB-CE 4.23Å; F598-M642 HydrophobicContact CD1-CB 4.44Å; F598-M642 HydrophobicContact CD2-CB 3.79Å; F598-M642 HydrophobicContact CD2-CE 4.3Å; F598-M642 HydrophobicContact CD2-CG 3.99Å; F598-M642 HydrophobicContact CE1-CB 4.15Å; F598-M642 HydrophobicContact CE2-CB 3.44Å; F598-M642 VanDerWaalsContact CE2-CB 3.44Å; F598-M642 HydrophobicContact CE2-CG 3.91Å; F598-M642 HydrophobicContact CG-CB 4.27Å; F598-M642 HydrophobicContact CG-CE 4.33Å; F598-M642 HydrophobicContact CZ-CB 3.64Å
599	P	86.4	Confident	89.6	Confident	98 Å²	98	70.7 Å²	70.7	64%	0.636	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-2.1	-166.8	25.7	-36.3	0	0	0	116.9	M595	M595-P599 WeakPolarHBondContact O-CA 3.47Å
600	N	85.2	Confident	89.6	Confident	147 Å²	147	70.3 Å²	70.3	79%	0.786	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	9.6	-169.4	-63.3	-15.4	0	0	0	114.6	F598	F598-N600 PolarHBondContact O-N 3.14Å
601	Q	85.8	Confident	89.5	Confident	107 Å²	107	73 Å²	73	50%	0.5	37%	0.368	S	S	.	.	S	Bend	trans	-122.7	160.2	-177	-61.7	-69	-17.3	0	0	111.4	V605 Y606 M642	Q601-V605 HydrophobicContact CB-CB 4.39Å; Q601-V605 HydrophobicContact CB-CG1 4.35Å; Q601-Y606 HydrophobicContact CB-CE1 3.77Å; Q601-Y606 HydrophobicContact CB-CE2 4.24Å; Q601-Y606 WeakPolarHBondContact CB-OH 3.34Å; Q601-Y606 HydrophobicContact CG-CE1 4.47Å; Q601-Y606 PolarHBondContact N-OH 3.12Å; Q601-Y606 WeakPolarHBondContact O-CE2 3.39Å; Q601-Y606 PolarHBondContact O-OH 3.29Å; Q601-M642 HydrophobicContact CG-CE 4.31Å
602	T	89.4	Confident	89.4	Confident	82 Å²	82	74.7 Å²	74.7	50%	0.503	38%	0.377	S	S	.	.			trans	-80.5	154.7	177.6	61.2	0	0	0	0	111.1	Q604 V605 Y606	T602-Q604 PolarHBondContact O-N 3.28Å; T602-V605 WeakPolarHBondContact O-CB 3.5Å; T602-V605 PolarHBondContact O-N 2.82Å; T602-V605 WeakPolarHBondContact OG1-CG2 3.48Å; T602-Y606 WeakPolarHBondContact O-CD2 3.19Å; T602-Y606 PolarHBondContact O-N 3.29Å
603	E	88.9	Confident	89.2	Confident	82 Å²	82	70.2 Å²	70.2	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-54.7	-38.1	178.1	-163.8	-170.1	147	0	0	112.9	L591 M595 V605 Y606 R607	L591-E603 HydrophobicContact CD1-CG 4.07Å; L591-E603 HydrophobicContact CD2-CG 3.86Å; L591-E603 WeakPolarHBondContact CD2-OE1 3.45Å; L591-E603 HydrophobicContact CG-CG 4.34Å; M595-E603 HydrophobicContact SD-CG 4.44Å; E603-V605 VanDerWaalsContact C-N 3.28Å; E603-V605 PolarHBondContact O-N 2.9Å; E603-Y606 PolarHBondContact O-N 3.27Å; E603-R607 WeakPolarHBondContact O-CG 3.38Å; E603-R607 PolarHBondContact O-N 3Å; E603-R607 IonicContact OE1-CZ 2.96Å; E603-R607 IonicContact OE1-NE 3.69Å; E603-R607 PolarHBondContact OE1-NE 3.45Å; E603-R607 IonicContact OE1-NH2 3.82Å; E603-R607 PolarHBondContact OE1-NH2 3.13Å
604	Q	89.3	Confident	89	Confident	160 Å²	160	72 Å²	72	75%	0.748	37%	0.366	S	S	*	.	H	α-helix	trans	-60.5	-37.4	177.8	-66.5	179.6	-9.2	0	0	112.2	T602 S608	T602-Q604 PolarHBondContact O-N 3.28Å; Q604-S608 WeakPolarHBondContact O-CB 3.49Å; Q604-S608 PolarHBondContact O-N 2.93Å
605	V	89.5	Confident	88.7	Confident	50 Å²	50	72.5 Å²	72.5	30%	0.303	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-45.7	177.2	174.1	0	0	0	0	110.2	Q601 T602 E603 R607 S608 Q609	Q601-V605 HydrophobicContact CB-CB 4.39Å; Q601-V605 HydrophobicContact CB-CG1 4.35Å; T602-V605 WeakPolarHBondContact O-CB 3.5Å; T602-V605 PolarHBondContact O-N 2.82Å; T602-V605 WeakPolarHBondContact OG1-CG2 3.48Å; E603-V605 VanDerWaalsContact C-N 3.28Å; E603-V605 PolarHBondContact O-N 2.9Å; V605-R607 PolarHBondContact O-N 2.93Å; V605-S608 PolarHBondContact O-N 3.48Å; V605-Q609 HydrophobicContact CG1-CG 4.43Å; V605-Q609 VanDerWaalsContact O-CG 3.31Å; V605-Q609 WeakPolarHBondContact O-CG 3.39Å; V605-Q609 PolarHBondContact O-N 2.96Å
606	Y	91	Very high	88.5	Confident	3 Å²	3	72.3 Å²	72.3	1%	0.012	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-42.2	177.3	-53.2	-61.1	0	0	0	112.2	L591 L594 M595 F598 Q601 T602 E603 S608 Q609 L610 M642	L591-Y606 HydrophobicContact CD1-CD2 4.36Å; L591-Y606 HydrophobicContact CD1-CG 4.42Å; L594-Y606 HydrophobicContact CB-CD1 3.8Å; L594-Y606 HydrophobicContact CB-CE1 4.34Å; L594-Y606 HydrophobicContact CB-CG 4.19Å; M595-Y606 HydrophobicContact CB-CE2 4.24Å; M595-Y606 HydrophobicContact CG-CD2 3.48Å; M595-Y606 VanDerWaalsContact CG-CD2 3.48Å; M595-Y606 HydrophobicContact CG-CE2 3.4Å; M595-Y606 HydrophobicContact CG-CG 4.41Å; F598-Y606 HydrophobicContact CB-CE1 4.28Å; F598-Y606 PolarHBondContact O-OH 3.13Å; Q601-Y606 HydrophobicContact CB-CE1 3.77Å; Q601-Y606 HydrophobicContact CB-CE2 4.24Å; Q601-Y606 WeakPolarHBondContact CB-OH 3.34Å; Q601-Y606 HydrophobicContact CG-CE1 4.47Å; Q601-Y606 PolarHBondContact N-OH 3.12Å; Q601-Y606 WeakPolarHBondContact O-CE2 3.39Å; Q601-Y606 PolarHBondContact O-OH 3.29Å; T602-Y606 WeakPolarHBondContact O-CD2 3.19Å; T602-Y606 PolarHBondContact O-N 3.29Å; E603-Y606 PolarHBondContact O-N 3.27Å; Y606-S608 VanDerWaalsContact C-N 3.31Å; Y606-S608 PolarHBondContact O-N 3.04Å; Y606-Q609 PolarHBondContact O-N 3.27Å; Y606-L610 WeakPolarHBondContact O-CB 3.45Å; Y606-L610 WeakPolarHBondContact O-CG 3.23Å; Y606-L610 PolarHBondContact O-N 2.6Å; Y606-M642 HydrophobicContact CD1-CE 3.73Å; Y606-M642 HydrophobicContact CD1-SD 4.44Å; Y606-M642 HydrophobicContact CE1-CE 3.62Å
607	R	90.5	Very high	88.1	Confident	90 Å²	90	70.1 Å²	70.1	34%	0.34	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-42.4	175.2	-71.8	-179.7	-179.6	-142.6	3.2	111.4	L591 E603 V605 L610 A611 E617	L591-R607 HydrophobicContact CD1-CG 4.02Å; L591-R607 HydrophobicContact CD2-CG 4.47Å; E603-R607 WeakPolarHBondContact O-CG 3.38Å; E603-R607 PolarHBondContact O-N 3Å; E603-R607 IonicContact OE1-CZ 2.96Å; E603-R607 IonicContact OE1-NE 3.69Å; E603-R607 PolarHBondContact OE1-NE 3.45Å; E603-R607 IonicContact OE1-NH2 3.82Å; E603-R607 PolarHBondContact OE1-NH2 3.13Å; V605-R607 PolarHBondContact O-N 2.93Å; R607-L610 PolarHBondContact O-N 3.3Å; R607-A611 WeakPolarHBondContact O-CB 3.35Å; R607-A611 PolarHBondContact O-N 3.05Å; R607-E617 IonicContact CZ-OE1 3.93Å; R607-E617 IonicContact NH1-OE1 3.92Å; R607-E617 PolarHBondContact NH1-OE1 3.33Å
608	S	89.8	Confident	88	Confident	65 Å²	65	71.2 Å²	71.2	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-39.7	175.5	-172.4	0	0	0	0	112.2	Q604 V605 Y606 A611 N612	Q604-S608 WeakPolarHBondContact O-CB 3.49Å; Q604-S608 PolarHBondContact O-N 2.93Å; V605-S608 PolarHBondContact O-N 3.48Å; Y606-S608 VanDerWaalsContact C-N 3.31Å; Y606-S608 PolarHBondContact O-N 3.04Å; S608-A611 PolarHBondContact O-N 2.64Å; S608-N612 PolarHBondContact O-N 2.71Å
609	Q	89.6	Confident	87.9	Confident	42 Å²	42	70.4 Å²	70.4	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-40.4	178.5	-68.7	-65.5	-7.3	0	0	112.1	V605 Y606 A611 N612 V638 M642	V605-Q609 HydrophobicContact CG1-CG 4.43Å; V605-Q609 VanDerWaalsContact O-CG 3.31Å; V605-Q609 WeakPolarHBondContact O-CG 3.39Å; V605-Q609 PolarHBondContact O-N 2.96Å; Y606-Q609 PolarHBondContact O-N 3.27Å; Q609-A611 VanDerWaalsContact C-N 3.31Å; Q609-A611 PolarHBondContact O-N 3Å; Q609-N612 WeakPolarHBondContact O-CB 3.36Å; Q609-N612 PolarHBondContact O-N 3.36Å; Q609-N612 PolarHBondContact OE1-ND2 2.93Å; Q609-V638 HydrophobicContact CB-CG1 3.96Å; Q609-M642 HydrophobicContact CB-SD 4.21Å; Q609-M642 HydrophobicContact CG-SD 3.84Å
610	L	91.5	Very high	88	Confident	1 Å²	1	66 Å²	66	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-41	171.6	-71.4	169.7	0	0	0	111.3	L591 L594 Y606 R607 N612 F613 N614 I615 A620 V638	L591-L610 HydrophobicContact CB-CD1 4.45Å; L591-L610 HydrophobicContact CD1-CD1 4.39Å; L594-L610 HydrophobicContact CD1-CD1 4.02Å; L594-L610 HydrophobicContact CD1-CD2 3.71Å; L594-L610 HydrophobicContact CD1-CG 3.68Å; Y606-L610 WeakPolarHBondContact O-CB 3.45Å; Y606-L610 WeakPolarHBondContact O-CG 3.23Å; Y606-L610 PolarHBondContact O-N 2.6Å; R607-L610 PolarHBondContact O-N 3.3Å; L610-N612 VanDerWaalsContact C-N 3.31Å; L610-N612 PolarHBondContact O-N 3.47Å; L610-F613 CarbonylContact O-C 3.53Å; L610-F613 PolarHBondContact O-N 3.41Å; L610-F613 VanDerWaalsContact O-N 3.12Å; L610-N614 PolarHBondContact O-N 2.94Å; L610-I615 HydrophobicContact CB-CB 4.15Å; L610-I615 HydrophobicContact CB-CG2 4.39Å; L610-I615 HydrophobicContact CD2-CD1 3.64Å; L610-I615 HydrophobicContact CD2-CG2 4.44Å; L610-I615 WeakPolarHBondContact O-CB 3.36Å; L610-I615 PolarHBondContact O-N 2.99Å; L610-I615 VanDerWaalsContact O-N 3.08Å; L610-A620 HydrophobicContact CD1-CB 3.79Å; L610-V638 HydrophobicContact CD2-CB 4.42Å; L610-V638 HydrophobicContact CD2-CG1 4.19Å; L610-V638 HydrophobicContact CD2-CG2 4.2Å
611	A	89.1	Confident	88.2	Confident	58 Å²	58	63.4 Å²	63.4	48%	0.479	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-34.3	176.5	0	0	0	0	0	112.8	R607 S608 Q609 F613 N614	R607-A611 WeakPolarHBondContact O-CB 3.35Å; R607-A611 PolarHBondContact O-N 3.05Å; S608-A611 PolarHBondContact O-N 2.64Å; Q609-A611 VanDerWaalsContact C-N 3.31Å; Q609-A611 PolarHBondContact O-N 3Å; A611-F613 PolarHBondContact O-N 3.12Å; A611-N614 PolarHBondContact O-N 3.3Å
612	N	88.8	Confident	88.3	Confident	43 Å²	43	62.2 Å²	62.2	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-21.6	174.7	-73.3	-23.2	0	0	0	113.4	I495 R496 S608 Q609 L610	I495-N612 WeakPolarHBondContact CA-O 3.27Å; R496-N612 HydrophobicContact CB-CB 4.21Å; R496-N612 PolarHBondContact N-O 3.29Å; R496-N612 VanDerWaalsContact N-O 3.09Å; S608-N612 PolarHBondContact O-N 2.71Å; Q609-N612 WeakPolarHBondContact O-CB 3.36Å; Q609-N612 PolarHBondContact O-N 3.36Å; Q609-N612 PolarHBondContact OE1-ND2 2.93Å; L610-N612 VanDerWaalsContact C-N 3.31Å; L610-N612 PolarHBondContact O-N 3.47Å
613	F	88.4	Confident	88.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	20.2	174.2	-73.1	-98.4	0	0	0	112.1	I495 L497 L610 A611 I615 R634 F637 V638 C641	I495-F613 HydrophobicContact CG2-CD1 3.58Å; I495-F613 HydrophobicContact CG2-CE1 3.44Å; I495-F613 VanDerWaalsContact CG2-CE1 3.44Å; I495-F613 HydrophobicContact CG2-CG 4.31Å; I495-F613 HydrophobicContact CG2-CZ 4.11Å; L497-F613 HydrophobicContact CD2-CE1 4.39Å; L497-F613 HydrophobicContact CD2-CZ 3.91Å; L610-F613 CarbonylContact O-C 3.53Å; L610-F613 PolarHBondContact O-N 3.41Å; L610-F613 VanDerWaalsContact O-N 3.12Å; A611-F613 PolarHBondContact O-N 3.12Å; F613-I615 VanDerWaalsContact C-N 3.25Å; F613-I615 PolarHBondContact O-N 3.33Å; F613-R634 HydrophobicContact CB-CB 4.36Å; F613-R634 WeakPolarHBondContact O-CD 3.47Å; F613-F637 HydrophobicContact CD1-CB 3.83Å; F613-F637 HydrophobicContact CE1-CB 3.41Å; F613-F637 VanDerWaalsContact CE1-CB 3.41Å; F613-F637 HydrophobicContact CE1-CG 4.18Å; F613-F637 HydrophobicContact CZ-CB 4.04Å; F613-V638 HydrophobicContact CB-CG2 3.65Å; F613-V638 HydrophobicContact CD1-CG2 4.35Å; F613-V638 HydrophobicContact CD2-CB 4.32Å; F613-V638 HydrophobicContact CD2-CG2 3.25Å; F613-V638 HydrophobicContact CE2-CG2 3.91Å; F613-V638 HydrophobicContact CG-CG2 3.49Å; F613-V638 VanDerWaalsContact CG-CG2 3.49Å; F613-C641 HydrophobicContact CE2-CB 4.4Å; F613-C641 HydrophobicContact CZ-CB 4.34Å
614	N	86.1	Confident	88.3	Confident	63 Å²	63	57.3 Å²	57.3	34%	0.337	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	37	176.8	-160.5	20.6	0	0	0	113.2	V493 L610 A611 R634	V493-N614 HydrophobicContact CG1-CB 4.16Å; L610-N614 PolarHBondContact O-N 2.94Å; A611-N614 PolarHBondContact O-N 3.3Å; N614-R634 PolarHBondContact O-NH1 3.28Å
615	I	86	Confident	88.1	Confident	10 Å²	10	51.3 Å²	51.3	5%	0.051	29%	0.286	C	S	.	.			trans	-94.2	113.3	167.3	-60.6	169.2	0	0	0	106.7	L610 F613 L619 A620 R634 V635 V638	L610-I615 HydrophobicContact CB-CB 4.15Å; L610-I615 HydrophobicContact CB-CG2 4.39Å; L610-I615 HydrophobicContact CD2-CD1 3.64Å; L610-I615 HydrophobicContact CD2-CG2 4.44Å; L610-I615 WeakPolarHBondContact O-CB 3.36Å; L610-I615 PolarHBondContact O-N 2.99Å; L610-I615 VanDerWaalsContact O-N 3.08Å; F613-I615 VanDerWaalsContact C-N 3.25Å; F613-I615 PolarHBondContact O-N 3.33Å; I615-L619 HydrophobicContact CG2-CB 3.91Å; I615-A620 HydrophobicContact CG2-CB 4.35Å; I615-R634 HydrophobicContact CD1-CB 4.09Å; I615-R634 HydrophobicContact CG1-CB 4.33Å; I615-V635 HydrophobicContact CD1-CB 4.4Å; I615-V635 HydrophobicContact CD1-CG2 3.55Å; I615-V638 HydrophobicContact CD1-CG2 4.4Å
616	T	85.4	Confident	87.9	Confident	75 Å²	75	52.3 Å²	52.3	46%	0.46	30%	0.295	S	S	.	.			trans	-72.3	160.7	-178	59.2	0	0	0	0	111.4	M618 L619 A620	T616-M618 VanDerWaalsContact C-N 3.26Å; T616-M618 PolarHBondContact O-N 2.83Å; T616-L619 PolarHBondContact O-N 2.91Å; T616-L619 WeakPolarHBondContact OG1-CD1 3.37Å; T616-L619 VanDerWaalsContact OG1-CG 3.31Å; T616-L619 WeakPolarHBondContact OG1-CG 3.31Å; T616-A620 PolarHBondContact O-N 3.44Å
617	E	83.3	Confident	87.5	Confident	125 Å²	125	52.5 Å²	52.5	58%	0.584	30%	0.296	S	S	*	.	H	α-helix	trans	-54.4	-41.5	-179.6	-173	173.2	-167.1	0	0	112.8	R607 L619 A620 L621	R607-E617 IonicContact CZ-OE1 3.93Å; R607-E617 IonicContact NH1-OE1 3.92Å; R607-E617 PolarHBondContact NH1-OE1 3.33Å; E617-L619 PolarHBondContact O-N 3.04Å; E617-A620 PolarHBondContact O-N 3.31Å; E617-L621 PolarHBondContact O-N 3.09Å
618	M	85.7	Confident	87	Confident	142 Å²	142	50.1 Å²	50.1	70%	0.7	29%	0.293	S	S	*	.	H	α-helix	trans	-65	-37.9	176.4	-64.4	-61.7	-66.4	0	0	112.6	T616 Q622	T616-M618 VanDerWaalsContact C-N 3.26Å; T616-M618 PolarHBondContact O-N 2.83Å; M618-Q622 WeakPolarHBondContact O-CG 3.33Å
619	L	86.2	Confident	86.4	Confident	36 Å²	36	48.4 Å²	48.4	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-73.1	-31.6	178	-68.3	174	0	0	0	111.7	I615 T616 E617 L621 Q622 L627	I615-L619 HydrophobicContact CG2-CB 3.91Å; T616-L619 PolarHBondContact O-N 2.91Å; T616-L619 WeakPolarHBondContact OG1-CD1 3.37Å; T616-L619 VanDerWaalsContact OG1-CG 3.31Å; T616-L619 WeakPolarHBondContact OG1-CG 3.31Å; E617-L619 PolarHBondContact O-N 3.04Å; L619-L621 PolarHBondContact O-N 3.11Å; L619-Q622 PolarHBondContact O-N 2.99Å; L619-L627 HydrophobicContact CB-CD2 4.45Å; L619-L627 HydrophobicContact CD2-CD2 4.09Å
620	A	87.9	Confident	86	Confident	5 Å²	5	46.6 Å²	46.6	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-32.3	179.2	0	0	0	0	0	112.7	S590 L591 L610 I615 T616 E617	S590-A620 PolarHBondContact N-O 3.37Å; L591-A620 PolarHBondContact N-O 3.33Å; L591-A620 VanDerWaalsContact N-O 3.13Å; L610-A620 HydrophobicContact CD1-CB 3.79Å; I615-A620 HydrophobicContact CG2-CB 4.35Å; T616-A620 PolarHBondContact O-N 3.44Å; E617-A620 PolarHBondContact O-N 3.31Å
621	L	90.1	Very high	85.7	Confident	93 Å²	93	48.9 Å²	48.9	49%	0.487	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-13.7	178.7	-63	174.9	0	0	0	113.5	S589 L591 E617 L619	S589-L621 WeakPolarHBondContact CB-O 3.44Å; L591-L621 HydrophobicContact CD2-CD2 4.15Å; E617-L621 PolarHBondContact O-N 3.09Å; L619-L621 PolarHBondContact O-N 3.11Å
622	Q	86.9	Confident	85.7	Confident	81 Å²	81	47.9 Å²	47.9	38%	0.379	27%	0.274	S	S	.	.	S	Bend	trans	-75.9	146.5	178	-78.8	-179.2	-15.8	0	0	111.4	S589 M618 L619 L627	S589-Q622 WeakPolarHBondContact CA-O 3.36Å; M618-Q622 WeakPolarHBondContact O-CG 3.33Å; L619-Q622 PolarHBondContact O-N 2.99Å; Q622-L627 HydrophobicContact CB-CD2 4.41Å
623	P	89.8	Confident	85.7	Confident	61 Å²	61	45.9 Å²	45.9	40%	0.396	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-62.2	138.1	175.2	26.2	-33.3	0	0	0	110.1	L588 G625 S626	L588-P623 CarbonylContact O-C 3.6Å; L588-P623 WeakPolarHBondContact O-CA 3.45Å; P623-G625 PolarHBondContact O-N 3Å; P623-G625 VanDerWaalsContact O-N 3.12Å; P623-S626 WeakPolarHBondContact O-CB 3.49Å; P623-S626 PolarHBondContact O-N 2.91Å; P623-S626 PolarHBondContact O-OG 3.35Å
624	I	89.5	Confident	85.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.6	-176.2	-69	168.9	0	0	0	110.6	L584 L586 L588 F593 S626 L627 K632 V635	L584-I624 HydrophobicContact CB-CD1 4.42Å; L584-I624 HydrophobicContact CB-CG2 3.92Å; L584-I624 HydrophobicContact CD1-CG2 3.95Å; L586-I624 HydrophobicContact CD2-CG2 4.21Å; L588-I624 WeakPolarHBondContact O-CG1 3.47Å; L588-I624 PolarHBondContact O-N 2.9Å; F593-I624 HydrophobicContact CB-CD1 3.68Å; F593-I624 HydrophobicContact CD1-CD1 4.35Å; F593-I624 HydrophobicContact CD2-CD1 4.25Å; F593-I624 HydrophobicContact CG-CD1 3.84Å; I624-S626 PolarHBondContact O-N 3.31Å; I624-L627 HydrophobicContact CG1-CD1 4.49Å; I624-L627 WeakPolarHBondContact O-CB 3.48Å; I624-L627 PolarHBondContact O-N 3.45Å; I624-K632 HydrophobicContact CG2-CD 4.46Å; I624-K632 HydrophobicContact CG2-CG 4.07Å; I624-K632 WeakPolarHBondContact O-CE 3.46Å; I624-V635 HydrophobicContact CD1-CG1 4.46Å
625	G	85.3	Confident	85.9	Confident	35 Å²	35	43.9 Å²	43.9	36%	0.361	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-52.5	-36	175.1	0	0	0	0	0	114.4	L586 P623 K632	L586-G625 WeakPolarHBondContact O-CA 3.28Å; L586-G625 PolarHBondContact O-N 2.78Å; P623-G625 PolarHBondContact O-N 3Å; P623-G625 VanDerWaalsContact O-N 3.12Å; G625-K632 PolarHBondContact O-NZ 3.09Å
626	S	84.5	Confident	86.1	Confident	71 Å²	71	43.7 Å²	43.7	50%	0.497	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-80.8	-14.3	-179	71.7	0	0	0	0	114.5	P623 I624	P623-S626 WeakPolarHBondContact O-CB 3.49Å; P623-S626 PolarHBondContact O-N 2.91Å; P623-S626 PolarHBondContact O-OG 3.35Å; I624-S626 PolarHBondContact O-N 3.31Å
627	L	84	Confident	86.3	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	23%	0.23	C	C	.	.	S	Bend	trans	-73.9	148.9	-179.3	-61.7	-179.6	0	0	0	111.4	S590 L619 Q622 I624 Q631 K632 V635	S590-L627 WeakPolarHBondContact OG-CD1 3.37Å; L619-L627 HydrophobicContact CB-CD2 4.45Å; L619-L627 HydrophobicContact CD2-CD2 4.09Å; Q622-L627 HydrophobicContact CB-CD2 4.41Å; I624-L627 HydrophobicContact CG1-CD1 4.49Å; I624-L627 WeakPolarHBondContact O-CB 3.48Å; I624-L627 PolarHBondContact O-N 3.45Å; L627-Q631 HydrophobicContact CB-CB 3.91Å; L627-Q631 HydrophobicContact CD2-CB 4.47Å; L627-K632 HydrophobicContact CB-CG 3.89Å; L627-K632 WeakPolarHBondContact O-CE 3.42Å; L627-V635 HydrophobicContact CD1-CG2 4.03Å
628	S	79.4	Confident	86.7	Confident	39 Å²	39	34.3 Å²	34.3	27%	0.273	20%	0.202	S	C	.	.			trans	-67	156.7	172	74	0	0	0	0	111.1	G630 Q631 K632	S628-G630 VanDerWaalsContact C-N 3.26Å; S628-G630 PolarHBondContact O-N 3.32Å; S628-Q631 WeakPolarHBondContact O-CA 3.47Å; S628-Q631 WeakPolarHBondContact O-CB 3.38Å; S628-Q631 PolarHBondContact O-N 3.18Å; S628-Q631 WeakPolarHBondContact OG-CG 3.46Å; S628-Q631 PolarHBondContact OG-N 3.27Å; S628-Q631 PolarHBondContact OG-OE1 3Å; S628-K632 WeakPolarHBondContact O-CG 3.4Å; S628-K632 PolarHBondContact O-N 2.82Å
629	G	78	Confident	86.9	Confident	29 Å²	29	27.8 Å²	27.8	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-50.2	-45.4	178.4	0	0	0	0	0	112.8	Q631 K632 S633	G629-Q631 PolarHBondContact O-N 3.42Å; G629-K632 WeakPolarHBondContact O-CB 3.4Å; G629-K632 PolarHBondContact O-N 2.83Å; G629-S633 PolarHBondContact O-N 2.99Å; G629-S633 PolarHBondContact O-OG 2.84Å
630	G	80.6	Confident	87.1	Confident	4 Å²	4	26.7 Å²	26.7	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-34.7	176.3	0	0	0	0	0	114.3	S628 R634 H656	S628-G630 VanDerWaalsContact C-N 3.26Å; S628-G630 PolarHBondContact O-N 3.32Å; G630-R634 WeakPolarHBondContact O-CG 3.4Å; G630-R634 PolarHBondContact O-N 2.84Å; G630-R634 VanDerWaalsContact O-N 3.13Å; G630-H656 WeakPolarHBondContact CA-O 3.33Å; G630-H656 PolarHBondContact N-O 2.87Å
631	Q	85.9	Confident	87.2	Confident	50 Å²	50	26.6 Å²	26.6	23%	0.234	16%	0.164	C	C	.	.	H	α-helix	trans	-68.2	-41	173.3	-73.4	168.4	-23.6	0	0	111.3	L627 S628 G629 R634 V635	L627-Q631 HydrophobicContact CB-CB 3.91Å; L627-Q631 HydrophobicContact CD2-CB 4.47Å; S628-Q631 WeakPolarHBondContact O-CA 3.47Å; S628-Q631 WeakPolarHBondContact O-CB 3.38Å; S628-Q631 PolarHBondContact O-N 3.18Å; S628-Q631 WeakPolarHBondContact OG-CG 3.46Å; S628-Q631 PolarHBondContact OG-N 3.27Å; S628-Q631 PolarHBondContact OG-OE1 3Å; G629-Q631 PolarHBondContact O-N 3.42Å; Q631-R634 WeakPolarHBondContact O-CB 3.29Å; Q631-R634 PolarHBondContact O-N 3.12Å; Q631-V635 WeakPolarHBondContact O-CG2 3.47Å; Q631-V635 PolarHBondContact O-N 2.94Å
632	K	88.4	Confident	87.1	Confident	36 Å²	36	23.7 Å²	23.7	16%	0.157	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-44.2	174	-65.2	176.6	174.1	169.7	0	111.5	V581 L584 I624 G625 L627 S628 G629 R634 V635 A636	V581-K632 HydrophobicContact CG1-CB 3.68Å; V581-K632 HydrophobicContact CG1-CD 3.72Å; V581-K632 HydrophobicContact CG1-CG 4.33Å; V581-K632 HydrophobicContact CG2-CB 4.41Å; L584-K632 HydrophobicContact CD1-CB 4.02Å; I624-K632 HydrophobicContact CG2-CD 4.46Å; I624-K632 HydrophobicContact CG2-CG 4.07Å; I624-K632 WeakPolarHBondContact O-CE 3.46Å; G625-K632 PolarHBondContact O-NZ 3.09Å; L627-K632 HydrophobicContact CB-CG 3.89Å; L627-K632 WeakPolarHBondContact O-CE 3.42Å; S628-K632 WeakPolarHBondContact O-CG 3.4Å; S628-K632 PolarHBondContact O-N 2.82Å; G629-K632 WeakPolarHBondContact O-CB 3.4Å; G629-K632 PolarHBondContact O-N 2.83Å; K632-R634 VanDerWaalsContact C-N 3.3Å; K632-R634 PolarHBondContact O-N 3.03Å; K632-V635 WeakPolarHBondContact O-CB 3.28Å; K632-V635 PolarHBondContact O-N 3.48Å; K632-V635 VanDerWaalsContact O-N 3.12Å; K632-A636 PolarHBondContact O-N 3.03Å
633	S	88	Confident	87.1	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-57.5	-42.3	174.3	-61.2	0	0	0	0	111.6	G629 V635 A636 F637	G629-S633 PolarHBondContact O-N 2.99Å; G629-S633 PolarHBondContact O-OG 2.84Å; S633-V635 PolarHBondContact O-N 3.49Å; S633-A636 WeakPolarHBondContact O-CB 3.35Å; S633-A636 PolarHBondContact O-N 3.23Å; S633-F637 WeakPolarHBondContact O-CD2 3.32Å; S633-F637 PolarHBondContact O-N 2.8Å
634	R	88.4	Confident	87	Confident	21 Å²	21	21.7 Å²	21.7	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-40	175.3	-66.9	-173.5	-153.8	168.2	0.4	112.9	F613 N614 I615 G630 Q631 K632 A636 F637 V638 T661	F613-R634 HydrophobicContact CB-CB 4.36Å; F613-R634 WeakPolarHBondContact O-CD 3.47Å; N614-R634 PolarHBondContact O-NH1 3.28Å; I615-R634 HydrophobicContact CD1-CB 4.09Å; I615-R634 HydrophobicContact CG1-CB 4.33Å; G630-R634 WeakPolarHBondContact O-CG 3.4Å; G630-R634 PolarHBondContact O-N 2.84Å; G630-R634 VanDerWaalsContact O-N 3.13Å; Q631-R634 WeakPolarHBondContact O-CB 3.29Å; Q631-R634 PolarHBondContact O-N 3.12Å; K632-R634 VanDerWaalsContact C-N 3.3Å; K632-R634 PolarHBondContact O-N 3.03Å; R634-A636 VanDerWaalsContact C-N 3.31Å; R634-A636 PolarHBondContact O-N 3.17Å; R634-F637 PolarHBondContact O-N 3.45Å; R634-V638 VanDerWaalsContact O-CG2 3.28Å; R634-V638 WeakPolarHBondContact O-CG2 3.36Å; R634-V638 PolarHBondContact O-N 3.42Å; R634-T661 HydrophobicContact CG-CG2 4.3Å; R634-T661 PolarHBondContact NE-OG1 3.49Å; R634-T661 PolarHBondContact NH2-OG1 3.45Å
635	V	90.4	Very high	87.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-41.9	173.3	177	0	0	0	0	110.6	S590 F593 I615 I624 L627 Q631 K632 S633 V638 A639	S590-V635 WeakPolarHBondContact OG-CG2 3.35Å; F593-V635 HydrophobicContact CD1-CG1 4.16Å; F593-V635 HydrophobicContact CE1-CG1 4.5Å; I615-V635 HydrophobicContact CD1-CB 4.4Å; I615-V635 HydrophobicContact CD1-CG2 3.55Å; I624-V635 HydrophobicContact CD1-CG1 4.46Å; L627-V635 HydrophobicContact CD1-CG2 4.03Å; Q631-V635 WeakPolarHBondContact O-CG2 3.47Å; Q631-V635 PolarHBondContact O-N 2.94Å; K632-V635 WeakPolarHBondContact O-CB 3.28Å; K632-V635 PolarHBondContact O-N 3.48Å; K632-V635 VanDerWaalsContact O-N 3.12Å; S633-V635 PolarHBondContact O-N 3.49Å; V635-V638 WeakPolarHBondContact O-CB 3.46Å; V635-V638 PolarHBondContact O-N 3.33Å; V635-A639 PolarHBondContact O-N 2.92Å
636	A	90.5	Very high	87.5	Confident	6 Å²	6	20.2 Å²	20.2	5%	0.05	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-40.3	176	0	0	0	0	0	112.3	F576 H580 K632 S633 R634 A639 M640	F576-A636 HydrophobicContact CD2-CB 4.48Å; F576-A636 HydrophobicContact CE2-CB 3.81Å; H580-A636 HydrophobicContact CB-CB 4.38Å; K632-A636 PolarHBondContact O-N 3.03Å; S633-A636 WeakPolarHBondContact O-CB 3.35Å; S633-A636 PolarHBondContact O-N 3.23Å; R634-A636 VanDerWaalsContact C-N 3.31Å; R634-A636 PolarHBondContact O-N 3.17Å; A636-A639 PolarHBondContact O-N 3.07Å; A636-M640 PolarHBondContact O-N 2.93Å
637	F	90.5	Very high	88	Confident	3 Å²	3	16.9 Å²	16.9	1%	0.013	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-44.2	172	-81.2	-69.9	0	0	0	112.3	F576 F613 S633 R634 A639 M640 C641 L650 P653 L657 L665	F576-F637 HydrophobicContact CD1-CZ 4.29Å; F576-F637 AromaticContact CD2-CD1 3.96Å; F576-F637 HydrophobicContact CD2-CD1 3.96Å; F576-F637 HydrophobicContact CD2-CD2 4.37Å; F576-F637 AromaticContact CD2-CE1 3.8Å; F576-F637 HydrophobicContact CD2-CE1 3.8Å; F576-F637 HydrophobicContact CD2-CE2 4.21Å; F576-F637 HydrophobicContact CD2-CG 4.22Å; F576-F637 AromaticContact CD2-CZ 3.9Å; F576-F637 HydrophobicContact CD2-CZ 3.9Å; F576-F637 HydrophobicContact CE1-CE2 4.43Å; F576-F637 HydrophobicContact CE1-CZ 4.21Å; F576-F637 HydrophobicContact CE2-CD1 4.24Å; F576-F637 AromaticContact CE2-CD2 3.81Å; F576-F637 HydrophobicContact CE2-CD2 3.81Å; F576-F637 HydrophobicContact CE2-CE1 4.12Å; F576-F637 AromaticContact CE2-CE2 3.66Å; F576-F637 HydrophobicContact CE2-CE2 3.66Å; F576-F637 HydrophobicContact CE2-CG 4.07Å; F576-F637 AromaticContact CE2-CZ 3.81Å; F576-F637 HydrophobicContact CE2-CZ 3.81Å; F576-F637 HydrophobicContact CG-CE1 4.08Å; F576-F637 HydrophobicContact CG-CZ 4.15Å; F576-F637 HydrophobicContact CZ-CD2 4.34Å; F576-F637 AromaticContact CZ-CE2 3.79Å; F576-F637 HydrophobicContact CZ-CE2 3.79Å; F576-F637 AromaticContact CZ-CZ 3.97Å; F576-F637 HydrophobicContact CZ-CZ 3.97Å; F613-F637 HydrophobicContact CD1-CB 3.83Å; F613-F637 HydrophobicContact CE1-CB 3.41Å; F613-F637 VanDerWaalsContact CE1-CB 3.41Å; F613-F637 HydrophobicContact CE1-CG 4.18Å; F613-F637 HydrophobicContact CZ-CB 4.04Å; S633-F637 WeakPolarHBondContact O-CD2 3.32Å; S633-F637 PolarHBondContact O-N 2.8Å; R634-F637 PolarHBondContact O-N 3.45Å; F637-A639 VanDerWaalsContact C-N 3.32Å; F637-A639 PolarHBondContact O-N 3.29Å; F637-M640 HydrophobicContact CD1-CE 3.72Å; F637-M640 HydrophobicContact CE1-CE 4.25Å; F637-M640 WeakPolarHBondContact O-CB 3.41Å; F637-M640 PolarHBondContact O-N 3.12Å; F637-C641 WeakPolarHBondContact O-CB 3.24Å; F637-C641 PolarHBondContact O-N 3.35Å; F637-C641 PolarHBondContact O-SG 2.85Å; F637-C641 VanDerWaalsContact O-SG 3.35Å; F637-L650 HydrophobicContact CE1-CD2 4.06Å; F637-P653 HydrophobicContact CE1-CB 4.43Å; F637-P653 HydrophobicContact CZ-CB 3.69Å; F637-L657 HydrophobicContact CE2-CD1 4.33Å; F637-L665 HydrophobicContact CE1-CD1 4.22Å; F637-L665 HydrophobicContact CE2-CD2 4.37Å; F637-L665 HydrophobicContact CZ-CD1 4.3Å; F637-L665 HydrophobicContact CZ-CD2 3.92Å
638	V	91.2	Very high	88.5	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-57.6	-48.7	175.8	176.4	0	0	0	0	110	L594 Q609 L610 F613 I615 R634 V635 M640 C641 M642	L594-V638 HydrophobicContact CD1-CG1 3.63Å; L594-V638 HydrophobicContact CD2-CG1 4.14Å; Q609-V638 HydrophobicContact CB-CG1 3.96Å; L610-V638 HydrophobicContact CD2-CB 4.42Å; L610-V638 HydrophobicContact CD2-CG1 4.19Å; L610-V638 HydrophobicContact CD2-CG2 4.2Å; F613-V638 HydrophobicContact CB-CG2 3.65Å; F613-V638 HydrophobicContact CD1-CG2 4.35Å; F613-V638 HydrophobicContact CD2-CB 4.32Å; F613-V638 HydrophobicContact CD2-CG2 3.25Å; F613-V638 HydrophobicContact CE2-CG2 3.91Å; F613-V638 HydrophobicContact CG-CG2 3.49Å; F613-V638 VanDerWaalsContact CG-CG2 3.49Å; I615-V638 HydrophobicContact CD1-CG2 4.4Å; R634-V638 VanDerWaalsContact O-CG2 3.28Å; R634-V638 WeakPolarHBondContact O-CG2 3.36Å; R634-V638 PolarHBondContact O-N 3.42Å; V635-V638 WeakPolarHBondContact O-CB 3.46Å; V635-V638 PolarHBondContact O-N 3.33Å; V638-M640 VanDerWaalsContact C-N 3.28Å; V638-M640 PolarHBondContact O-N 3.42Å; V638-C641 PolarHBondContact O-N 2.81Å; V638-C641 VanDerWaalsContact O-N 3.09Å; V638-M642 WeakPolarHBondContact O-CG 3.39Å; V638-M642 PolarHBondContact O-N 2.86Å
639	A	90.1	Very high	89.2	Confident	4 Å²	4	14.7 Å²	14.7	3%	0.033	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-33.4	-180	0	0	0	0	0	113.3	F593 L594 F598 V635 A636 F637	F593-A639 HydrophobicContact CE1-CB 3.86Å; L594-A639 HydrophobicContact CD2-CB 3.92Å; F598-A639 WeakPolarHBondContact CE2-O 3.37Å; F598-A639 WeakPolarHBondContact CZ-O 3.27Å; V635-A639 PolarHBondContact O-N 2.92Å; A636-A639 PolarHBondContact O-N 3.07Å; F637-A639 VanDerWaalsContact C-N 3.32Å; F637-A639 PolarHBondContact O-N 3.29Å
640	M	90.1	Very high	90	Very high	14 Å²	14	13.3 Å²	13.3	7%	0.069	8%	0.076	C	C	.	.	H	α-helix	trans	-70	-41.3	172.7	179.9	-168.2	67.2	0	0	111.5	F576 A636 F637 V638 M642 S643 L648 L650	F576-M640 HydrophobicContact CB-SD 3.95Å; A636-M640 PolarHBondContact O-N 2.93Å; F637-M640 HydrophobicContact CD1-CE 3.72Å; F637-M640 HydrophobicContact CE1-CE 4.25Å; F637-M640 WeakPolarHBondContact O-CB 3.41Å; F637-M640 PolarHBondContact O-N 3.12Å; V638-M640 VanDerWaalsContact C-N 3.28Å; V638-M640 PolarHBondContact O-N 3.42Å; M640-M642 VanDerWaalsContact C-N 3.32Å; M640-M642 PolarHBondContact O-N 2.85Å; M640-S643 PolarHBondContact O-OG 2.91Å; M640-L648 HydrophobicContact CE-CD2 3.64Å; M640-L648 HydrophobicContact SD-CD2 4.01Å; M640-L650 HydrophobicContact CE-CD2 4.03Å; M640-L650 HydrophobicContact SD-CD2 3.97Å
641	C	89.9	Confident	90.5	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-71.9	-23.6	-178.9	-73.1	0	0	0	0	113.7	L497 P498 F613 F637 V638 S643 S644	L497-C641 WeakPolarHBondContact CD2-SG 3.48Å; P498-C641 HydrophobicContact CG-CB 3.88Å; F613-C641 HydrophobicContact CE2-CB 4.4Å; F613-C641 HydrophobicContact CZ-CB 4.34Å; F637-C641 WeakPolarHBondContact O-CB 3.24Å; F637-C641 PolarHBondContact O-N 3.35Å; F637-C641 PolarHBondContact O-SG 2.85Å; F637-C641 VanDerWaalsContact O-SG 3.35Å; V638-C641 PolarHBondContact O-N 2.81Å; V638-C641 VanDerWaalsContact O-N 3.09Å; C641-S643 PolarHBondContact O-N 2.71Å; C641-S643 VanDerWaalsContact O-N 3.11Å; C641-S644 PolarHBondContact O-N 2.72Å
642	M	88.1	Confident	90.5	Very high	32 Å²	32	12 Å²	12	16%	0.158	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.3	177.5	-76.7	-64.4	-65.1	0	0	113.9	L594 F598 Q601 Y606 Q609 V638 M640 S644	L594-M642 HydrophobicContact CD2-CG 4.29Å; F598-M642 HydrophobicContact CB-CE 4.23Å; F598-M642 HydrophobicContact CD1-CB 4.44Å; F598-M642 HydrophobicContact CD2-CB 3.79Å; F598-M642 HydrophobicContact CD2-CE 4.3Å; F598-M642 HydrophobicContact CD2-CG 3.99Å; F598-M642 HydrophobicContact CE1-CB 4.15Å; F598-M642 HydrophobicContact CE2-CB 3.44Å; F598-M642 VanDerWaalsContact CE2-CB 3.44Å; F598-M642 HydrophobicContact CE2-CG 3.91Å; F598-M642 HydrophobicContact CG-CB 4.27Å; F598-M642 HydrophobicContact CG-CE 4.33Å; F598-M642 HydrophobicContact CZ-CB 3.64Å; Q601-M642 HydrophobicContact CG-CE 4.31Å; Y606-M642 HydrophobicContact CD1-CE 3.73Å; Y606-M642 HydrophobicContact CD1-SD 4.44Å; Y606-M642 HydrophobicContact CE1-CE 3.62Å; Q609-M642 HydrophobicContact CB-SD 4.21Å; Q609-M642 HydrophobicContact CG-SD 3.84Å; V638-M642 WeakPolarHBondContact O-CG 3.39Å; V638-M642 PolarHBondContact O-N 2.86Å; M640-M642 VanDerWaalsContact C-N 3.32Å; M640-M642 PolarHBondContact O-N 2.85Å; M642-S644 VanDerWaalsContact C-N 3.31Å
643	S	85.7	Confident	90.5	Very high	49 Å²	49	10.2 Å²	10.2	34%	0.343	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	2.5	177.5	63.2	0	0	0	0	114.4	R572 M640 C641	R572-S643 PolarHBondContact NE-O 3.09Å; M640-S643 PolarHBondContact O-OG 2.91Å; C641-S643 PolarHBondContact O-N 2.71Å; C641-S643 VanDerWaalsContact O-N 3.11Å
644	S	89.1	Confident	90.4	Very high	50 Å²	50	11.1 Å²	11.1	35%	0.35	7%	0.066	S	C	.	.			trans	46.3	61.8	-175.6	-61.7	0	0	0	0	112.6	R572 C641 M642	R572-S644 PolarHBondContact NE-O 3.42Å; R572-S644 PolarHBondContact NH2-O 2.63Å; C641-S644 PolarHBondContact O-N 2.72Å; M642-S644 VanDerWaalsContact C-N 3.31Å
645	P	92.8	Very high	90	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	7%	0.067	C	C	.	.			trans	-66.6	148.5	-176.5	29.1	-35.8	0	0	0	112.1	C500 R572 G574 L648 F672	C500-P645 WeakPolarHBondContact CB-O 3.06Å; R572-P645 CarbonylContact O-C 3.59Å; R572-P645 WeakPolarHBondContact O-CA 3.47Å; G574-P645 VanDerWaalsContact N-CB 3.27Å; P645-L648 HydrophobicContact CB-CD2 4.13Å; P645-L648 HydrophobicContact CG-CD2 3.47Å; P645-L648 VanDerWaalsContact CG-CD2 3.47Å; P645-F672 WeakPolarHBondContact O-CZ 3.38Å
646	N	92.7	Very high	89.3	Confident	4 Å²	4	15.2 Å²	15.2	2%	0.021	9%	0.087	C	C	.	.	S	Bend	trans	-94.6	-20.7	172.2	-50.2	97.3	0	0	0	112	E501 L503 L571 R572 G674 G675	E501-N646 PolarHBondContact O-ND2 3.16Å; L503-N646 HydrophobicContact CD1-CB 3.76Å; L503-N646 HydrophobicContact CG-CB 4.45Å; L571-N646 HydrophobicContact CD1-CB 4.31Å; R572-N646 PolarHBondContact N-OD1 3.44Å; R572-N646 PolarHBondContact O-N 3.45Å; N646-G674 WeakPolarHBondContact O-CA 3.36Å; N646-G675 PolarHBondContact O-N 2.85Å
647	L	94.1	Very high	88.9	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.6	176.8	176.3	62.3	0	0	0	108.9	I531 L571 R572 I573 G574 V649 G675 V677	I531-L647 HydrophobicContact CD1-CD2 4.44Å; I531-L647 HydrophobicContact CG2-CD1 3.89Å; L571-L647 HydrophobicContact CD1-CB 3.98Å; L571-L647 HydrophobicContact CD2-CD2 4.45Å; R572-L647 PolarHBondContact O-N 3.07Å; I573-L647 CarbonylContact C-O 3.54Å; I573-L647 WeakPolarHBondContact CA-O 3.02Å; I573-L647 HydrophobicContact CD1-CD2 4.39Å; I573-L647 HydrophobicContact CG1-CB 4.48Å; I573-L647 HydrophobicContact CG1-CD2 4.3Å; I573-L647 HydrophobicContact CG2-CD2 4.48Å; I573-L647 HydrophobicContact CG2-CG 4.42Å; G574-L647 PolarHBondContact N-O 3.23Å; L647-V649 HydrophobicContact CD2-CG2 4.41Å; L647-V649 HydrophobicContact CG-CG2 4.25Å; L647-G675 WeakPolarHBondContact CA-O 3.36Å; L647-G675 WeakPolarHBondContact CD1-O 3.46Å; L647-V677 HydrophobicContact CD1-CG2 4.14Å
648	L	94.6	Very high	88.3	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.9	172.5	-66.4	178.8	0	0	0	109.8	L497 G574 M640 P645 L650 L669 F672 G675 V677	L497-L648 HydrophobicContact CD1-CD1 4.12Å; G574-L648 WeakPolarHBondContact O-CA 3.37Å; M640-L648 HydrophobicContact CE-CD2 3.64Å; M640-L648 HydrophobicContact SD-CD2 4.01Å; P645-L648 HydrophobicContact CB-CD2 4.13Å; P645-L648 HydrophobicContact CG-CD2 3.47Å; P645-L648 VanDerWaalsContact CG-CD2 3.47Å; L648-L650 HydrophobicContact CB-CD2 4.43Å; L648-L650 HydrophobicContact CB-CG 4.41Å; L648-L669 HydrophobicContact CD1-CD2 3.96Å; L648-F672 HydrophobicContact CD1-CD1 3.86Å; L648-F672 HydrophobicContact CD1-CD2 4.28Å; L648-F672 HydrophobicContact CD1-CE1 3.75Å; L648-F672 HydrophobicContact CD1-CE2 4.19Å; L648-F672 HydrophobicContact CD1-CG 4.13Å; L648-F672 HydrophobicContact CD1-CZ 3.92Å; L648-F672 HydrophobicContact CG-CD1 4.28Å; L648-F672 HydrophobicContact CG-CE1 3.69Å; L648-F672 HydrophobicContact CG-CZ 3.84Å; L648-G675 PolarHBondContact N-O 2.82Å; L648-V677 PolarHBondContact O-N 2.95Å
649	V	94.8	Very high	87.8	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.8	173.5	-179.4	0	0	0	0	107.5	L551 L555 I573 G574 Y575 F576 L647 V677	L551-V649 HydrophobicContact CB-CG1 4.37Å; L551-V649 HydrophobicContact CD1-CG1 4.12Å; L551-V649 HydrophobicContact CD2-CG1 3.7Å; L551-V649 HydrophobicContact CG-CG1 4.28Å; L555-V649 HydrophobicContact CD2-CB 4.47Å; L555-V649 HydrophobicContact CD2-CG2 4.41Å; I573-V649 HydrophobicContact CG2-CB 4.34Å; I573-V649 HydrophobicContact CG2-CG2 3.61Å; G574-V649 PolarHBondContact O-N 3.46Å; Y575-V649 CarbonylContact C-O 3.58Å; Y575-V649 WeakPolarHBondContact CA-O 3.4Å; Y575-V649 HydrophobicContact CD2-CB 4.08Å; Y575-V649 HydrophobicContact CD2-CG1 3.87Å; Y575-V649 WeakPolarHBondContact CD2-O 3.48Å; Y575-V649 HydrophobicContact CE2-CG1 4.19Å; F576-V649 PolarHBondContact N-O 3Å; L647-V649 HydrophobicContact CD2-CG2 4.41Å; L647-V649 HydrophobicContact CG-CG2 4.25Å; V649-V677 CarbonylContact C-O 3.57Å; V649-V677 WeakPolarHBondContact CA-O 3.31Å; V649-V677 HydrophobicContact CG2-CB 4.34Å
650	L	93.7	Very high	87.4	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.1	-171.3	-53.9	179.5	0	0	0	110.1	F576 F637 M640 L648 P653 L669 V677 L678 V679	F576-L650 HydrophobicContact CB-CD2 3.54Å; F576-L650 HydrophobicContact CG-CD2 4.44Å; F637-L650 HydrophobicContact CE1-CD2 4.06Å; M640-L650 HydrophobicContact CE-CD2 4.03Å; M640-L650 HydrophobicContact SD-CD2 3.97Å; L648-L650 HydrophobicContact CB-CD2 4.43Å; L648-L650 HydrophobicContact CB-CG 4.41Å; L650-P653 HydrophobicContact CB-CB 4.18Å; L650-P653 HydrophobicContact CB-CG 3.92Å; L650-P653 HydrophobicContact CD1-CB 4.5Å; L650-P653 HydrophobicContact CD1-CG 4.38Å; L650-L669 HydrophobicContact CD1-CD1 3.91Å; L650-L669 HydrophobicContact CD1-CD2 3.77Å; L650-V677 PolarHBondContact N-O 3.35Å; L650-L678 HydrophobicContact CB-CD1 3.92Å; L650-L678 HydrophobicContact CD1-CD1 4.37Å; L650-V679 PolarHBondContact O-N 3.34Å
651	D	90.5	Very high	87.2	Confident	9 Å²	9	17.7 Å²	17.7	5%	0.048	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	102	178.5	-159.3	6.4	0	0	0	110	L551 Y575 F576	L551-D651 HydrophobicContact CD1-CB 3.68Å; Y575-D651 HydrophobicContact CE2-CB 4.21Å; F576-D651 WeakPolarHBondContact O-CB 3.5Å; F576-D651 PolarHBondContact O-N 3.08Å
652	E	86.6	Confident	87	Confident	16 Å²	16	18.4 Å²	18.4	8%	0.075	10%	0.102	C	C	.	.	S	Bend	trans	51	59	-175.6	-60.7	-63.1	154.7	0	0	114.1	T654 N655 V679 S680 H681	E652-T654 PolarHBondContact O-N 2.96Å; E652-N655 WeakPolarHBondContact CB-ND2 3.36Å; E652-N655 PolarHBondContact O-N 3.18Å; E652-N655 PolarHBondContact O-ND2 3.17Å; E652-V679 WeakPolarHBondContact CA-O 3.39Å; E652-V679 PolarHBondContact N-O 2.96Å; E652-S680 WeakPolarHBondContact OE1-CA 3.31Å; E652-S680 WeakPolarHBondContact OE2-CA 3.38Å; E652-H681 VanDerWaalsContact CD-CD2 3.48Å; E652-H681 IonicContact OE1-CD2 3.16Å; E652-H681 PolarHBondContact OE1-CD2 3.37Å; E652-H681 IonicContact OE1-CE1 3.6Å; E652-H681 IonicContact OE1-CG 3.86Å; E652-H681 IonicContact OE1-NE2 3.98Å; E652-H681 PolarHBondContact OE1-NE2 2.94Å; E652-H681 VanDerWaalsContact OE1-NE2 3.13Å; E652-H681 IonicContact OE2-CD2 2.87Å; E652-H681 PolarHBondContact OE2-N 3.49Å
653	P	88.5	Confident	87	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.9	-175.2	28.2	-35.5	0	0	0	114.6	F576 F637 L650 N655 L657 L665 L678 V679 L685	F576-P653 HydrophobicContact CD1-CB 4.33Å; F576-P653 HydrophobicContact CE1-CB 4.48Å; F637-P653 HydrophobicContact CE1-CB 4.43Å; F637-P653 HydrophobicContact CZ-CB 3.69Å; L650-P653 HydrophobicContact CB-CB 4.18Å; L650-P653 HydrophobicContact CB-CG 3.92Å; L650-P653 HydrophobicContact CD1-CB 4.5Å; L650-P653 HydrophobicContact CD1-CG 4.38Å; P653-N655 VanDerWaalsContact C-N 3.3Å; P653-L657 WeakPolarHBondContact O-CD1 3.21Å; P653-L665 HydrophobicContact CB-CD2 4.16Å; P653-L678 HydrophobicContact CG-CD1 3.37Å; P653-V679 WeakPolarHBondContact CD-O 3.04Å; P653-L685 HydrophobicContact CG-CD2 4.18Å
654	T	85.2	Confident	87.2	Confident	19 Å²	19	16.6 Å²	16.6	12%	0.117	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15	-178.9	52.5	0	0	0	0	112.9	E652 H656 L657 I662 D682 L685	E652-T654 PolarHBondContact O-N 2.96Å; T654-H656 PolarHBondContact O-N 3.19Å; T654-L657 WeakPolarHBondContact O-CB 3.36Å; T654-L657 PolarHBondContact O-N 3.37Å; T654-I662 HydrophobicContact CG2-CD1 4.26Å; T654-I662 HydrophobicContact CG2-CG1 4.26Å; T654-I662 HydrophobicContact CG2-CG2 4.24Å; T654-D682 HydrophobicContact CG2-CB 3.93Å; T654-L685 HydrophobicContact CG2-CD2 3.52Å
655	N	81.1	Confident	87.3	Confident	17 Å²	17	14.3 Å²	14.3	9%	0.091	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	127.1	179.5	-75.2	-24.9	0	0	0	111.2	E652 P653 L657	E652-N655 WeakPolarHBondContact CB-ND2 3.36Å; E652-N655 PolarHBondContact O-N 3.18Å; E652-N655 PolarHBondContact O-ND2 3.17Å; P653-N655 VanDerWaalsContact C-N 3.3Å; N655-L657 PolarHBondContact O-N 3.23Å; N655-L657 VanDerWaalsContact O-N 3.14Å
656	H	75.2	Confident	87.2	Confident	90 Å²	90	15 Å²	15	42%	0.417	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	4.7	-179.4	-43.1	-67.7	0	0	0	116.3	N221 G630 T654	N221-H656 PolarHBondContact ND2-O 3.15Å; G630-H656 WeakPolarHBondContact CA-O 3.33Å; G630-H656 PolarHBondContact N-O 2.87Å; T654-H656 PolarHBondContact O-N 3.19Å
657	L	81.7	Confident	87.2	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.103	C	C	.	.			trans	-83	143.2	174.7	-61.5	-170.5	0	0	0	110.7	F637 P653 T654 N655 T661 I662 L665	F637-L657 HydrophobicContact CE2-CD1 4.33Å; P653-L657 WeakPolarHBondContact O-CD1 3.21Å; T654-L657 WeakPolarHBondContact O-CB 3.36Å; T654-L657 PolarHBondContact O-N 3.37Å; N655-L657 PolarHBondContact O-N 3.23Å; N655-L657 VanDerWaalsContact O-N 3.14Å; L657-T661 HydrophobicContact CB-CG2 4.48Å; L657-T661 HydrophobicContact CD1-CG2 4.13Å; L657-T661 HydrophobicContact CD2-CG2 3.99Å; L657-T661 HydrophobicContact CG-CG2 4.44Å; L657-I662 HydrophobicContact CB-CD1 4.32Å; L657-I662 HydrophobicContact CB-CG1 3.72Å; L657-I662 HydrophobicContact CD1-CG1 4.45Å; L657-L665 HydrophobicContact CD1-CD2 3.96Å
658	D	79.4	Confident	87.1	Confident	8 Å²	8	19 Å²	19	4%	0.043	11%	0.106	C	C	.	.			trans	-79.1	164	170.5	63.2	15.6	0	0	0	110.9	E660 T661 I662	D658-E660 PolarHBondContact O-N 2.86Å; D658-T661 PolarHBondContact O-N 3.06Å; D658-T661 WeakPolarHBondContact OD1-CB 3.35Å; D658-T661 PolarHBondContact OD1-N 3Å; D658-T661 PolarHBondContact OD1-OG1 3.33Å; D658-I662 WeakPolarHBondContact O-CG1 3.36Å; D658-I662 PolarHBondContact O-N 3.28Å
659	V	80.2	Confident	87.1	Confident	16 Å²	16	19 Å²	19	10%	0.097	11%	0.106	C	C	.	.	H	α-helix	trans	-57.5	-38	-174.4	-174.7	0	0	0	0	111.6	H399 R401 A663	H399-V659 HydrophobicContact CB-CG2 4.16Å; R401-V659 HydrophobicContact CG-CG1 4.15Å; R401-V659 VanDerWaalsContact NH2-CG1 3.32Å; V659-A663 PolarHBondContact O-N 3.09Å; V659-A663 VanDerWaalsContact O-N 3.14Å
660	E	82.3	Confident	87	Confident	52 Å²	52	22.6 Å²	22.6	24%	0.243	13%	0.128	C	C	.	.	H	α-helix	trans	-70.1	-36.8	178.8	-59.5	90.3	157.9	0	0	112.2	V493 D658 G664	V493-E660 HydrophobicContact CG2-CB 4Å; D658-E660 PolarHBondContact O-N 2.86Å; E660-G664 PolarHBondContact O-N 3.47Å
661	T	84.9	Confident	86.9	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-70.5	-39.2	175.2	-52.6	0	0	0	0	111.7	I495 R634 L657 D658 A663 G664 L665	I495-T661 HydrophobicContact CD1-CG2 3.91Å; R634-T661 HydrophobicContact CG-CG2 4.3Å; R634-T661 PolarHBondContact NE-OG1 3.49Å; R634-T661 PolarHBondContact NH2-OG1 3.45Å; L657-T661 HydrophobicContact CB-CG2 4.48Å; L657-T661 HydrophobicContact CD1-CG2 4.13Å; L657-T661 HydrophobicContact CD2-CG2 3.99Å; L657-T661 HydrophobicContact CG-CG2 4.44Å; D658-T661 PolarHBondContact O-N 3.06Å; D658-T661 WeakPolarHBondContact OD1-CB 3.35Å; D658-T661 PolarHBondContact OD1-N 3Å; D658-T661 PolarHBondContact OD1-OG1 3.33Å; T661-A663 VanDerWaalsContact C-N 3.31Å; T661-A663 PolarHBondContact O-N 3.32Å; T661-G664 PolarHBondContact O-N 3.47Å; T661-L665 WeakPolarHBondContact O-CB 3.46Å; T661-L665 PolarHBondContact O-N 3.29Å
662	I	86.4	Confident	86.9	Confident	19 Å²	19	28.5 Å²	28.5	10%	0.097	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176.2	-65	169.9	0	0	0	109.9	T654 L657 D658 L665 S666	T654-I662 HydrophobicContact CG2-CD1 4.26Å; T654-I662 HydrophobicContact CG2-CG1 4.26Å; T654-I662 HydrophobicContact CG2-CG2 4.24Å; L657-I662 HydrophobicContact CB-CD1 4.32Å; L657-I662 HydrophobicContact CB-CG1 3.72Å; L657-I662 HydrophobicContact CD1-CG1 4.45Å; D658-I662 WeakPolarHBondContact O-CG1 3.36Å; D658-I662 PolarHBondContact O-N 3.28Å; I662-L665 PolarHBondContact O-N 2.92Å; I662-S666 WeakPolarHBondContact O-CB 3.5Å; I662-S666 PolarHBondContact O-N 3.25Å
663	A	87.4	Confident	87	Confident	40 Å²	40	30 Å²	30	33%	0.331	17%	0.17	S	C	.	.	H	α-helix	trans	-60.9	-45.6	174.4	0	0	0	0	0	112	V659 T661 L665 S666 D667	V659-A663 PolarHBondContact O-N 3.09Å; V659-A663 VanDerWaalsContact O-N 3.14Å; T661-A663 VanDerWaalsContact C-N 3.31Å; T661-A663 PolarHBondContact O-N 3.32Å; A663-L665 VanDerWaalsContact C-N 3.32Å; A663-L665 PolarHBondContact O-N 2.82Å; A663-S666 WeakPolarHBondContact O-CB 3.2Å; A663-S666 PolarHBondContact O-N 3.3Å; A663-D667 PolarHBondContact O-N 3.4Å
664	G	89.6	Confident	87.1	Confident	3 Å²	3	30 Å²	30	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-36	175.8	0	0	0	0	0	113.6	V493 E660 T661 A668	V493-G664 WeakPolarHBondContact O-CA 3.44Å; E660-G664 PolarHBondContact O-N 3.47Å; T661-G664 PolarHBondContact O-N 3.47Å; G664-A668 WeakPolarHBondContact O-CB 3.1Å; G664-A668 PolarHBondContact O-N 3.07Å; G664-A668 VanDerWaalsContact O-N 3.12Å
665	L	91.1	Very high	87.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-70.3	-42.5	176.1	-179.6	64.1	0	0	0	111	I495 F637 P653 L657 T661 I662 A663 A668 L669	I495-L665 HydrophobicContact CD1-CB 4.04Å; F637-L665 HydrophobicContact CE1-CD1 4.22Å; F637-L665 HydrophobicContact CE2-CD2 4.37Å; F637-L665 HydrophobicContact CZ-CD1 4.3Å; F637-L665 HydrophobicContact CZ-CD2 3.92Å; P653-L665 HydrophobicContact CB-CD2 4.16Å; L657-L665 HydrophobicContact CD1-CD2 3.96Å; T661-L665 WeakPolarHBondContact O-CB 3.46Å; T661-L665 PolarHBondContact O-N 3.29Å; I662-L665 PolarHBondContact O-N 2.92Å; A663-L665 VanDerWaalsContact C-N 3.32Å; A663-L665 PolarHBondContact O-N 2.82Å; L665-A668 PolarHBondContact O-N 3.23Å; L665-L669 HydrophobicContact CD1-CD1 4.26Å; L665-L669 HydrophobicContact CD1-CG 4.21Å; L665-L669 HydrophobicContact CG-CD1 3.97Å; L665-L669 HydrophobicContact CG-CG 4.34Å; L665-L669 WeakPolarHBondContact O-CG 3.01Å; L665-L669 PolarHBondContact O-N 3.02Å
666	S	91.8	Very high	88.1	Confident	15 Å²	15	28.3 Å²	28.3	11%	0.105	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-51.2	174.5	-174.7	0	0	0	0	110.9	I662 A663 A668 L669 V670 A688	I662-S666 WeakPolarHBondContact O-CB 3.5Å; I662-S666 PolarHBondContact O-N 3.25Å; A663-S666 WeakPolarHBondContact O-CB 3.2Å; A663-S666 PolarHBondContact O-N 3.3Å; S666-A668 PolarHBondContact O-N 2.8Å; S666-L669 PolarHBondContact O-N 2.8Å; S666-V670 VanDerWaalsContact O-CG2 3.31Å; S666-V670 WeakPolarHBondContact O-CG2 3.16Å; S666-V670 PolarHBondContact O-N 2.89Å; S666-A688 WeakPolarHBondContact OG-CB 3.28Å
667	D	92.7	Very high	89.1	Confident	81 Å²	81	24.1 Å²	24.1	43%	0.433	14%	0.141	S	C	.	.	H	α-helix	trans	-57.8	-38.5	176.7	-75.4	-7.3	0	0	0	111.6	A663 N671	A663-D667 PolarHBondContact O-N 3.4Å; D667-N671 PolarHBondContact O-N 3.17Å; D667-N671 PolarHBondContact O-ND2 3.29Å
668	A	92.4	Very high	89.7	Confident	7 Å²	7	24 Å²	24	6%	0.058	14%	0.141	C	C	.	.	H	α-helix	trans	-70.3	-42.8	179.2	0	0	0	0	0	112.5	I495 L497 G664 L665 S666 N671 F672	I495-A668 HydrophobicContact CB-CB 4.02Å; I495-A668 HydrophobicContact CG2-CB 3.95Å; I495-A668 WeakPolarHBondContact O-CB 3.11Å; L497-A668 HydrophobicContact CD1-CB 4.07Å; L497-A668 HydrophobicContact CG-CB 4.03Å; G664-A668 WeakPolarHBondContact O-CB 3.1Å; G664-A668 PolarHBondContact O-N 3.07Å; G664-A668 VanDerWaalsContact O-N 3.12Å; L665-A668 PolarHBondContact O-N 3.23Å; S666-A668 PolarHBondContact O-N 2.8Å; A668-N671 PolarHBondContact O-N 3.41Å; A668-F672 PolarHBondContact O-N 2.84Å; A668-F672 VanDerWaalsContact O-N 3.17Å
669	L	93.3	Very high	90.3	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-68.3	-35.9	179.7	-70.7	172.8	0	0	0	112.6	L497 L648 L650 L665 S666 N671 F672 V676 L685 V689	L497-L669 HydrophobicContact CD1-CD2 3.97Å; L648-L669 HydrophobicContact CD1-CD2 3.96Å; L650-L669 HydrophobicContact CD1-CD1 3.91Å; L650-L669 HydrophobicContact CD1-CD2 3.77Å; L665-L669 HydrophobicContact CD1-CD1 4.26Å; L665-L669 HydrophobicContact CD1-CG 4.21Å; L665-L669 HydrophobicContact CG-CD1 3.97Å; L665-L669 HydrophobicContact CG-CG 4.34Å; L665-L669 WeakPolarHBondContact O-CG 3.01Å; L665-L669 PolarHBondContact O-N 3.02Å; S666-L669 PolarHBondContact O-N 2.8Å; L669-N671 VanDerWaalsContact C-N 3.28Å; L669-N671 PolarHBondContact O-N 3.41Å; L669-F672 WeakPolarHBondContact O-CB 3.2Å; L669-F672 PolarHBondContact O-N 2.77Å; L669-V676 HydrophobicContact CD2-CG1 4.38Å; L669-L685 HydrophobicContact CD1-CD1 4.38Å; L669-V689 HydrophobicContact CB-CG1 3.87Å; L669-V689 HydrophobicContact CB-CG2 3.87Å; L669-V689 HydrophobicContact CD1-CG2 4.3Å
670	V	92.6	Very high	90.7	Very high	75 Å²	75	22.9 Å²	22.9	46%	0.455	13%	0.134	S	C	.	.	H	α-helix	trans	-60.4	-40.9	173.8	170.4	0	0	0	0	110.9	S666 F672 A688 V689	S666-V670 VanDerWaalsContact O-CG2 3.31Å; S666-V670 WeakPolarHBondContact O-CG2 3.16Å; S666-V670 PolarHBondContact O-N 2.89Å; V670-F672 VanDerWaalsContact C-N 3.34Å; V670-A688 WeakPolarHBondContact CG2-O 3.48Å; V670-V689 HydrophobicContact CG2-CG2 4.2Å
671	N	91.4	Very high	90.7	Very high	129 Å²	129	21.2 Å²	21.2	69%	0.69	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-0.4	-178	-68	-54.2	0	0	0	114.2	D667 A668 L669	D667-N671 PolarHBondContact O-N 3.17Å; D667-N671 PolarHBondContact O-ND2 3.29Å; A668-N671 PolarHBondContact O-N 3.41Å; L669-N671 VanDerWaalsContact C-N 3.28Å; L669-N671 PolarHBondContact O-N 3.41Å
672	F	91.5	Very high	90.7	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.022	13%	0.13	C	C	.	.			trans	-71.6	127.4	-177.1	-178.4	-116	0	0	0	111.4	L497 R536 P645 L648 A668 L669 V670 G674 V676	L497-F672 HydrophobicContact CB-CD2 4Å; L497-F672 HydrophobicContact CD1-CB 3.97Å; L497-F672 HydrophobicContact CD1-CD2 3.97Å; L497-F672 HydrophobicContact CD1-CG 4.14Å; R536-F672 PolarHBondContact NH2-O 3.36Å; P645-F672 WeakPolarHBondContact O-CZ 3.38Å; L648-F672 HydrophobicContact CD1-CD1 3.86Å; L648-F672 HydrophobicContact CD1-CD2 4.28Å; L648-F672 HydrophobicContact CD1-CE1 3.75Å; L648-F672 HydrophobicContact CD1-CE2 4.19Å; L648-F672 HydrophobicContact CD1-CG 4.13Å; L648-F672 HydrophobicContact CD1-CZ 3.92Å; L648-F672 HydrophobicContact CG-CD1 4.28Å; L648-F672 HydrophobicContact CG-CE1 3.69Å; L648-F672 HydrophobicContact CG-CZ 3.84Å; A668-F672 PolarHBondContact O-N 2.84Å; A668-F672 VanDerWaalsContact O-N 3.17Å; L669-F672 WeakPolarHBondContact O-CB 3.2Å; L669-F672 PolarHBondContact O-N 2.77Å; V670-F672 VanDerWaalsContact C-N 3.34Å; F672-G674 WeakPolarHBondContact CD1-O 3.33Å; F672-G674 VanDerWaalsContact CE1-CA 3.44Å; F672-G674 PolarHBondContact O-N 3.17Å; F672-V676 HydrophobicContact CD1-CG2 3.84Å
673	P	88.6	Confident	90.6	Very high	46 Å²	46	22 Å²	22	30%	0.299	13%	0.13	S	C	.	.	S	Bend	trans	-81.6	13.1	-175.3	31	-34.5	0	0	0	115.3
674	G	90.4	Very high	90.5	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	-123.5	-177.2	178.9	0	0	0	0	0	113.2	P533 R536 N646 F672	P533-G674 CarbonylContact O-C 3.58Å; R536-G674 VanDerWaalsContact CZ-O 3.23Å; R536-G674 PolarHBondContact NH1-O 3.02Å; R536-G674 PolarHBondContact NH2-O 3.45Å; N646-G674 WeakPolarHBondContact O-CA 3.36Å; F672-G674 WeakPolarHBondContact CD1-O 3.33Å; F672-G674 VanDerWaalsContact CE1-CA 3.44Å; F672-G674 PolarHBondContact O-N 3.17Å
675	G	92.9	Very high	90.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	147.5	-179.7	0	0	0	0	0	112	P533 N646 L647 L648	P533-G675 WeakPolarHBondContact O-CA 3.37Å; P533-G675 PolarHBondContact O-N 3.39Å; P533-G675 VanDerWaalsContact O-N 3.08Å; N646-G675 PolarHBondContact O-N 2.85Å; L647-G675 WeakPolarHBondContact CA-O 3.36Å; L647-G675 WeakPolarHBondContact CD1-O 3.46Å; L648-G675 PolarHBondContact N-O 2.82Å
676	V	95	Very high	90.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.8	177.2	-175.2	0	0	0	0	110	S535 I537 L669 F672 V689	S535-V676 PolarHBondContact O-N 3.34Å; I537-V676 PolarHBondContact N-O 2.82Å; L669-V676 HydrophobicContact CD2-CG1 4.38Å; F672-V676 HydrophobicContact CD1-CG2 3.84Å; V676-V689 HydrophobicContact CG1-CG1 4.45Å
677	V	95.4	Very high	90.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118	168.8	178.8	0	0	0	0	107.6	I531 I537 I539 L551 L554 L647 L648 V649 L650	I531-V677 HydrophobicContact CD1-CG2 3.77Å; I537-V677 HydrophobicContact CB-CG2 4.46Å; I537-V677 CarbonylContact O-C 3.57Å; I537-V677 WeakPolarHBondContact O-CA 3.49Å; I539-V677 HydrophobicContact CD1-CG1 3.53Å; I539-V677 HydrophobicContact CG1-CG1 4.25Å; L551-V677 HydrophobicContact CD2-CG1 4.07Å; L554-V677 HydrophobicContact CD1-CG1 4.24Å; L647-V677 HydrophobicContact CD1-CG2 4.14Å; L648-V677 PolarHBondContact O-N 2.95Å; V649-V677 CarbonylContact C-O 3.57Å; V649-V677 WeakPolarHBondContact CA-O 3.31Å; V649-V677 HydrophobicContact CG2-CB 4.34Å; L650-V677 PolarHBondContact N-O 3.35Å
678	L	94.4	Very high	90.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.4	-175	179.8	65.8	0	0	0	109.8	I537 S538 I539 L650 P653 L685 I686	I537-L678 PolarHBondContact O-N 2.89Å; S538-L678 CarbonylContact C-O 3.54Å; S538-L678 VanDerWaalsContact CA-O 3.27Å; S538-L678 WeakPolarHBondContact CA-O 3.45Å; I539-L678 PolarHBondContact N-O 2.86Å; L650-L678 HydrophobicContact CB-CD1 3.92Å; L650-L678 HydrophobicContact CD1-CD1 4.37Å; P653-L678 HydrophobicContact CG-CD1 3.37Å; L678-L685 HydrophobicContact CD1-CD2 4.16Å; L678-L685 HydrophobicContact CD2-CD2 3.9Å; L678-L685 HydrophobicContact CD2-CG 3.91Å; L678-I686 HydrophobicContact CD2-CG1 4.22Å
679	V	91.9	Very high	90.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.8	158.6	-177.3	0	0	0	0	105.9	I539 K547 L551 L650 E652 P653	I539-V679 HydrophobicContact CB-CG2 4.02Å; I539-V679 HydrophobicContact CG2-CG2 4.43Å; K547-V679 HydrophobicContact CD-CG1 4.06Å; L551-V679 HydrophobicContact CD1-CG2 3.76Å; L551-V679 HydrophobicContact CD2-CG2 3.98Å; L551-V679 HydrophobicContact CG-CG2 4.09Å; L650-V679 PolarHBondContact O-N 3.34Å; E652-V679 WeakPolarHBondContact CA-O 3.39Å; E652-V679 PolarHBondContact N-O 2.96Å; P653-V679 WeakPolarHBondContact CD-O 3.04Å
680	S	88.2	Confident	90.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.			trans	-151.6	153.9	-179.8	-177.9	0	0	0	0	109.8	E652 D682 I686	E652-S680 WeakPolarHBondContact OE1-CA 3.31Å; E652-S680 WeakPolarHBondContact OE2-CA 3.38Å; S680-D682 WeakPolarHBondContact OG-CB 3.45Å; S680-D682 PolarHBondContact OG-N 3.47Å; S680-I686 WeakPolarHBondContact O-CD1 3.29Å
681	H	82.4	Confident	90.1	Very high	17 Å²	17	31 Å²	31	8%	0.079	17%	0.165	C	C	.	.			trans	-101.3	-9.2	165.7	-64.4	-51.9	0	0	0	113.5	L375 D376 M377 I380 K547 E652 E683	L375-H681 PolarHBondContact O-CD2 3.05Å; L375-H681 VanDerWaalsContact O-CG 3.29Å; L375-H681 PolarHBondContact O-NE2 3.48Å; D376-H681 WeakPolarHBondContact CA-CE1 3.32Å; D376-H681 WeakPolarHBondContact CA-NE2 3.4Å; M377-H681 PolarHBondContact N-ND1 3.38Å; I380-H681 HydrophobicContact CD1-CB 3.83Å; K547-H681 PolarHBondContact NZ-CE1 2.91Å; K547-H681 VanDerWaalsContact NZ-CE1 3.29Å; K547-H681 PolarHBondContact NZ-NE2 2.85Å; E652-H681 VanDerWaalsContact CD-CD2 3.48Å; E652-H681 IonicContact OE1-CD2 3.16Å; E652-H681 PolarHBondContact OE1-CD2 3.37Å; E652-H681 IonicContact OE1-CE1 3.6Å; E652-H681 IonicContact OE1-CG 3.86Å; E652-H681 IonicContact OE1-NE2 3.98Å; E652-H681 PolarHBondContact OE1-NE2 2.94Å; E652-H681 VanDerWaalsContact OE1-NE2 3.13Å; E652-H681 IonicContact OE2-CD2 2.87Å; E652-H681 PolarHBondContact OE2-N 3.49Å; H681-E683 PolarHBondContact O-N 3.01Å
682	D	84.3	Confident	90.1	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.091	15%	0.145	C	C	.	.			trans	-73.4	110.5	175.9	-173.1	-41	0	0	0	111.2	T654 S680 R684 L685 I686	T654-D682 HydrophobicContact CG2-CB 3.93Å; S680-D682 WeakPolarHBondContact OG-CB 3.45Å; S680-D682 PolarHBondContact OG-N 3.47Å; D682-R684 VanDerWaalsContact C-N 3.34Å; D682-R684 PolarHBondContact O-N 2.76Å; D682-R684 WeakPolarHBondContact OD1-CA 3.2Å; D682-R684 WeakPolarHBondContact OD1-CB 3.08Å; D682-R684 PolarHBondContact OD1-N 2.83Å; D682-L685 HydrophobicContact CB-CB 4.01Å; D682-L685 PolarHBondContact O-N 2.81Å; D682-L685 PolarHBondContact OD1-N 3.48Å; D682-I686 WeakPolarHBondContact O-CD1 3.43Å; D682-I686 VanDerWaalsContact O-CG1 3.28Å; D682-I686 WeakPolarHBondContact O-CG1 3.44Å; D682-I686 PolarHBondContact O-N 2.96Å
683	E	85.6	Confident	90.2	Very high	21 Å²	21	27.9 Å²	27.9	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-38.4	-178.1	-56.8	-171.4	167.3	0	0	112.6	M377 H681 I686 Q687 L719 K723	M377-E683 HydrophobicContact CE-CG 4.39Å; H681-E683 PolarHBondContact O-N 3.01Å; E683-I686 PolarHBondContact O-N 3.27Å; E683-Q687 WeakPolarHBondContact O-CB 3.38Å; E683-Q687 VanDerWaalsContact O-CG 3.24Å; E683-Q687 WeakPolarHBondContact O-CG 3.41Å; E683-Q687 PolarHBondContact O-N 3.35Å; E683-L719 HydrophobicContact CB-CD2 3.89Å; E683-L719 HydrophobicContact CG-CD2 4.12Å; E683-K723 VanDerWaalsContact OE1-CD 3.31Å; E683-K723 WeakPolarHBondContact OE1-CD 3.42Å; E683-K723 WeakPolarHBondContact OE1-CE 3.47Å; E683-K723 IonicContact OE1-NZ 3.56Å; E683-K723 PolarHBondContact OE1-NZ 3.23Å; E683-K723 IonicContact OE2-NZ 2.71Å; E683-K723 PolarHBondContact OE2-NZ 3.46Å
684	R	85	Confident	90.3	Very high	107 Å²	107	27 Å²	27	40%	0.404	14%	0.138	S	C	.	.	H	α-helix	trans	-71	-40.9	-176.8	-66.4	-178.9	68.5	142.3	-1.9	110.6	R401 D682 Q687 A688	R401-R684 VanDerWaalsContact CD-CZ 3.48Å; D682-R684 VanDerWaalsContact C-N 3.34Å; D682-R684 PolarHBondContact O-N 2.76Å; D682-R684 WeakPolarHBondContact OD1-CA 3.2Å; D682-R684 WeakPolarHBondContact OD1-CB 3.08Å; D682-R684 PolarHBondContact OD1-N 2.83Å; R684-Q687 PolarHBondContact O-N 2.98Å; R684-A688 WeakPolarHBondContact O-CB 3.46Å; R684-A688 PolarHBondContact O-N 3.36Å
685	L	89	Confident	90.3	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-44.7	176	-176.2	66.2	0	0	0	110.9	P653 T654 L669 L678 D682 A688 V689	P653-L685 HydrophobicContact CG-CD2 4.18Å; T654-L685 HydrophobicContact CG2-CD2 3.52Å; L669-L685 HydrophobicContact CD1-CD1 4.38Å; L678-L685 HydrophobicContact CD1-CD2 4.16Å; L678-L685 HydrophobicContact CD2-CD2 3.9Å; L678-L685 HydrophobicContact CD2-CG 3.91Å; D682-L685 HydrophobicContact CB-CB 4.01Å; D682-L685 PolarHBondContact O-N 2.81Å; D682-L685 PolarHBondContact OD1-N 3.48Å; L685-A688 PolarHBondContact O-N 2.87Å; L685-V689 HydrophobicContact CD1-CG2 3.91Å; L685-V689 WeakPolarHBondContact O-CB 3.29Å; L685-V689 WeakPolarHBondContact O-CG2 3.36Å; L685-V689 PolarHBondContact O-N 2.86Å
686	I	90.8	Very high	90.1	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-48.6	178.1	-66.2	166.1	0	0	0	110.5	M377 V540 L678 S680 D682 E683 A688 V689 C690 V693 L719	M377-I686 HydrophobicContact CE-CD1 4.21Å; V540-I686 HydrophobicContact CG1-CD1 4.35Å; L678-I686 HydrophobicContact CD2-CG1 4.22Å; S680-I686 WeakPolarHBondContact O-CD1 3.29Å; D682-I686 WeakPolarHBondContact O-CD1 3.43Å; D682-I686 VanDerWaalsContact O-CG1 3.28Å; D682-I686 WeakPolarHBondContact O-CG1 3.44Å; D682-I686 PolarHBondContact O-N 2.96Å; E683-I686 PolarHBondContact O-N 3.27Å; I686-A688 VanDerWaalsContact C-N 3.28Å; I686-A688 PolarHBondContact O-N 3.24Å; I686-V689 PolarHBondContact O-N 3.2Å; I686-C690 HydrophobicContact CG2-CB 4.21Å; I686-C690 WeakPolarHBondContact O-CA 3.08Å; I686-C690 VanDerWaalsContact O-CB 3.29Å; I686-C690 WeakPolarHBondContact O-CB 3.36Å; I686-C690 PolarHBondContact O-N 2.87Å; I686-V693 HydrophobicContact CG2-CG2 4.48Å; I686-L719 HydrophobicContact CB-CD2 4.36Å; I686-L719 HydrophobicContact CG2-CD2 4.23Å
687	Q	90.4	Very high	89.5	Confident	110 Å²	110	30 Å²	30	51%	0.514	16%	0.155	S	C	.	.	H	α-helix	trans	-64.4	-32.1	180	-74.1	175.9	-3.6	0	0	112.9	E683 R684 L719	E683-Q687 WeakPolarHBondContact O-CB 3.38Å; E683-Q687 VanDerWaalsContact O-CG 3.24Å; E683-Q687 WeakPolarHBondContact O-CG 3.41Å; E683-Q687 PolarHBondContact O-N 3.35Å; R684-Q687 PolarHBondContact O-N 2.98Å; Q687-L719 HydrophobicContact CG-CD2 4.29Å
688	A	90.6	Very high	88.5	Confident	53 Å²	53	37.4 Å²	37.4	44%	0.438	18%	0.183	S	C	.	.	H	α-helix	trans	-78.5	-37.1	-179.8	0	0	0	0	0	113.1	S666 V670 R684 L685 I686	S666-A688 WeakPolarHBondContact OG-CB 3.28Å; V670-A688 WeakPolarHBondContact CG2-O 3.48Å; R684-A688 WeakPolarHBondContact O-CB 3.46Å; R684-A688 PolarHBondContact O-N 3.36Å; L685-A688 PolarHBondContact O-N 2.87Å; I686-A688 VanDerWaalsContact C-N 3.28Å; I686-A688 PolarHBondContact O-N 3.24Å
689	V	92	Very high	86.9	Confident	9 Å²	9	39.3 Å²	39.3	6%	0.055	19%	0.192	C	C	.	.	H	α-helix	trans	-102.4	-40.3	-171	179.7	0	0	0	0	112.6	R536 L669 V670 V676 L685 I686	R536-V689 WeakPolarHBondContact CB-O 3.33Å; R536-V689 WeakPolarHBondContact CG-O 3.33Å; L669-V689 HydrophobicContact CB-CG1 3.87Å; L669-V689 HydrophobicContact CB-CG2 3.87Å; L669-V689 HydrophobicContact CD1-CG2 4.3Å; V670-V689 HydrophobicContact CG2-CG2 4.2Å; V676-V689 HydrophobicContact CG1-CG1 4.45Å; L685-V689 HydrophobicContact CD1-CG2 3.91Å; L685-V689 WeakPolarHBondContact O-CB 3.29Å; L685-V689 WeakPolarHBondContact O-CG2 3.36Å; L685-V689 PolarHBondContact O-N 2.86Å; I686-V689 PolarHBondContact O-N 3.2Å
690	C	91.7	Very high	84.9	Confident	20 Å²	20	42 Å²	42	14%	0.135	22%	0.22	C	C	.	.			trans	-95.2	137.3	-167	-60.1	0	0	0	0	112.8	R536 I686	R536-C690 CarbonylContact O-C 3.55Å; R536-C690 VanDerWaalsContact O-CA 3.29Å; R536-C690 WeakPolarHBondContact O-CA 3.48Å; R536-C690 WeakPolarHBondContact O-CB 3.47Å; I686-C690 HydrophobicContact CG2-CB 4.21Å; I686-C690 WeakPolarHBondContact O-CA 3.08Å; I686-C690 VanDerWaalsContact O-CB 3.29Å; I686-C690 WeakPolarHBondContact O-CB 3.36Å; I686-C690 PolarHBondContact O-N 2.87Å
691	N	90.6	Very high	82.9	Confident	108 Å²	108	49.4 Å²	49.4	58%	0.578	26%	0.259	S	S	*	.	S	Bend	trans	-104	-20.2	173.9	63.1	-11.4	0	0	0	112.5	R536	R536-N691 WeakPolarHBondContact CA-OD1 3.35Å; R536-N691 WeakPolarHBondContact CB-OD1 3.48Å; R536-N691 PolarHBondContact N-OD1 3.05Å; R536-N691 PolarHBondContact O-N 3.08Å; R536-N691 PolarHBondContact O-OD1 3.43Å
692	E	91.7	Very high	80.6	Confident	61 Å²	61	51.5 Å²	51.5	29%	0.285	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.2	179.6	-66.9	175.2	-143.5	0	0	110.2	R536 I537 S538 W694	R536-E692 PolarHBondContact O-N 3.33Å; I537-E692 HydrophobicContact CG1-CB 4.33Å; S538-E692 PolarHBondContact N-O 3.06Å; E692-W694 PolarHBondContact OE2-NE1 3.14Å; E692-W694 VanDerWaalsContact OE2-NE1 3.11Å
693	V	92.3	Very high	78.4	Confident	8 Å²	8	57.1 Å²	57.1	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.7	175.4	-178.8	0	0	0	0	108.6	S538 V540 I686 L715	S538-V693 CarbonylContact O-C 3.33Å; S538-V693 WeakPolarHBondContact O-CA 3.49Å; V540-V693 HydrophobicContact CG1-CG1 4.16Å; V540-V693 HydrophobicContact CG2-CG1 3.64Å; I686-V693 HydrophobicContact CG2-CG2 4.48Å; V693-L715 PolarHBondContact O-N 2.77Å
694	W	92.6	Very high	76.5	Confident	28 Å²	28	61.8 Å²	61.8	11%	0.106	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.6	179.6	-73.6	74.7	0	0	0	109.3	N528 L529 I537 S538 I539 V540 E692 V712 H713	N528-W694 VanDerWaalsContact O-CH2 3.32Å; N528-W694 WeakPolarHBondContact O-CH2 3.22Å; N528-W694 VanDerWaalsContact O-CZ3 3.27Å; N528-W694 WeakPolarHBondContact O-CZ3 3.37Å; L529-W694 HydrophobicContact CB-CH2 4.48Å; L529-W694 HydrophobicContact CD1-CD2 3.72Å; L529-W694 VanDerWaalsContact CD1-CE2 3.43Å; L529-W694 HydrophobicContact CD1-CE3 3.96Å; L529-W694 HydrophobicContact CD1-CG 4.43Å; L529-W694 HydrophobicContact CD1-CH2 3.63Å; L529-W694 HydrophobicContact CD1-CZ2 3.39Å; L529-W694 HydrophobicContact CD1-CZ3 3.91Å; I537-W694 HydrophobicContact CG2-CB 4.48Å; I537-W694 HydrophobicContact CG2-CG 4.14Å; S538-W694 PolarHBondContact O-N 3.04Å; I539-W694 CarbonylContact C-O 3.59Å; I539-W694 WeakPolarHBondContact CA-O 3.34Å; V540-W694 PolarHBondContact N-O 3.29Å; E692-W694 PolarHBondContact OE2-NE1 3.14Å; E692-W694 VanDerWaalsContact OE2-NE1 3.11Å; W694-V712 HydrophobicContact CE3-CG1 3.86Å; W694-V712 HydrophobicContact CZ3-CG1 4.47Å; W694-H713 CarbonylContact C-O 3.46Å; W694-H713 WeakPolarHBondContact CA-O 3.41Å
695	V	90.2	Very high	74.5	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.2	-178.2	-174.2	0	0	0	0	110	V540 T697 V712 H713 L715 Y722	V540-V695 HydrophobicContact CG2-CB 4.34Å; V540-V695 HydrophobicContact CG2-CG2 3.69Å; V540-V695 CarbonylContact O-C 3.51Å; V540-V695 WeakPolarHBondContact O-CA 3.4Å; V695-T697 WeakPolarHBondContact CG1-OG1 3.43Å; V695-V712 WeakPolarHBondContact O-CA 3.29Å; V695-H713 PolarHBondContact N-O 3Å; V695-H713 PolarHBondContact O-N 3.18Å; V695-H713 VanDerWaalsContact O-N 3.14Å; V695-L715 HydrophobicContact CG2-CD1 3.22Å; V695-L715 HydrophobicContact CG2-CD2 4.4Å; V695-L715 HydrophobicContact CG2-CG 3.48Å; V695-L715 VanDerWaalsContact CG2-CG 3.48Å; V695-Y722 HydrophobicContact CG1-CD2 4.08Å; V695-Y722 HydrophobicContact CG1-CE2 3.71Å; V695-Y722 HydrophobicContact CG2-CD2 3.76Å; V695-Y722 HydrophobicContact CG2-CE2 4.19Å
696	C	88.5	Confident	72.1	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.014	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	103.4	167.4	-168.2	0	0	0	0	109.3	V540 A545 K547 V712	V540-C696 PolarHBondContact O-N 2.98Å; A545-C696 HydrophobicContact CB-CB 4.32Å; A545-C696 WeakPolarHBondContact CB-O 3.33Å; A545-C696 PolarHBondContact O-SG 3.48Å; K547-C696 HydrophobicContact CG-CB 4.38Å; C696-V712 HydrophobicContact CB-CG2 4.35Å
697	T	82.7	Confident	70.2	Confident	57 Å²	57	67.2 Å²	67.2	35%	0.35	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.6	-178.9	-55.6	0	0	0	0	110	V695 M699 S710 R711	V695-T697 WeakPolarHBondContact CG1-OG1 3.43Å; T697-M699 PolarHBondContact O-N 3.22Å; T697-S710 CarbonylContact O-C 3.47Å; T697-S710 WeakPolarHBondContact O-CA 3.36Å; T697-S710 WeakPolarHBondContact O-CB 3.47Å; T697-R711 PolarHBondContact N-O 3.18Å; T697-R711 PolarHBondContact O-N 3.31Å
698	R	72.9	Confident	68.6	Low	157 Å²	157	69.1 Å²	69.1	59%	0.592	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	112.3	177.3	-169.2	173.2	-178.6	176.1	-1.6	111	S710	R698-S710 WeakPolarHBondContact CA-OG 3.38Å
699	M	60.7	Low	67.1	Low	40 Å²	40	66.8 Å²	66.8	20%	0.197	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.7	171.4	-55.3	-67.7	-69.8	0	0	109.1	T697 D705 A707 G709 R711	T697-M699 PolarHBondContact O-N 3.22Å; M699-D705 HydrophobicContact CE-CB 3.84Å; M699-D705 WeakPolarHBondContact CE-OD2 3.39Å; M699-A707 WeakPolarHBondContact CB-O 3.46Å; M699-G709 WeakPolarHBondContact CB-O 3.05Å; M699-G709 WeakPolarHBondContact CG-O 3.37Å; M699-G709 PolarHBondContact N-O 3.12Å; M699-G709 PolarHBondContact O-N 3.44Å; M699-R711 HydrophobicContact CG-CG 4Å
700	G	50.2	Low	66.3	Low	57 Å²	57	66.5 Å²	66.5	59%	0.588	38%	0.379	S	S	*	.			trans	158.8	-1.7	179.4	0	0	0	0	0	117.2
701	L	45.8	Very low	65.9	Low	156 Å²	156	71.3 Å²	71.3	82%	0.817	39%	0.394	S	S	*	.	S	Bend	trans	-101.7	-13.6	173.5	-79.2	144.1	0	0	0	113.6
702	S	35.6	Very low	65.8	Low	60 Å²	60	66.9 Å²	66.9	42%	0.42	37%	0.371	S	S	.	.	S	Bend	trans	-90.1	130	173.3	172.5	0	0	0	0	110.3	V704	S702-V704 PolarHBondContact O-N 2.82Å; S702-V704 VanDerWaalsContact O-N 3.09Å; S702-V704 PolarHBondContact OG-N 3.2Å
703	P	37	Very low	65.6	Low	136 Å²	136	67.8 Å²	67.8	88%	0.883	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-3.9	176.7	26.3	-32.4	0	0	0	114
704	V	46	Very low	65.5	Low	119 Å²	119	69.9 Å²	69.9	72%	0.721	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-22.3	-169.8	-169	0	0	0	0	113.2	S702	S702-V704 PolarHBondContact O-N 2.82Å; S702-V704 VanDerWaalsContact O-N 3.09Å; S702-V704 PolarHBondContact OG-N 3.2Å
705	D	42.6	Very low	65.2	Low	77 Å²	77	69.7 Å²	69.7	41%	0.412	39%	0.392	S	S	.	.			trans	-109.5	110.7	-176.4	-73.5	-47.1	0	0	0	112.1	M699 A707	M699-D705 HydrophobicContact CE-CB 3.84Å; M699-D705 WeakPolarHBondContact CE-OD2 3.39Å; D705-A707 PolarHBondContact O-N 2.71Å
706	S	39.9	Very low	64.9	Low	125 Å²	125	75.4 Å²	75.4	87%	0.874	43%	0.429	S	S	*	.			trans	-69.9	-4.4	178.7	49.3	0	0	0	0	114.5	K708	S706-K708 PolarHBondContact O-N 3.31Å
707	A	49.1	Very low	64.4	Low	25 Å²	25	77.5 Å²	77.5	21%	0.207	45%	0.45	C	S	.	.			trans	-85.3	95.5	176.9	0	0	0	0	0	110.8	M699 D705 G709	M699-A707 WeakPolarHBondContact CB-O 3.46Å; D705-A707 PolarHBondContact O-N 2.71Å; A707-G709 PolarHBondContact O-N 2.93Å
708	K	57.4	Low	64.6	Low	149 Å²	149	75.7 Å²	75.7	65%	0.648	44%	0.443	S	S	*	.			trans	-74.1	97.7	171.8	-64.9	177.4	-179	176.8	0	109.1	P522 S706	P522-K708 WeakPolarHBondContact CB-O 3.33Å; P522-K708 WeakPolarHBondContact CD-O 3.32Å; P522-K708 WeakPolarHBondContact CG-O 3.35Å; S706-K708 PolarHBondContact O-N 3.31Å
709	G	60.1	Low	65.1	Low	4 Å²	4	68.8 Å²	68.8	4%	0.041	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.4	154.6	175.1	0	0	0	0	0	113.7	P522 M699 A707	P522-G709 VanDerWaalsContact O-CA 3.28Å; P522-G709 WeakPolarHBondContact O-CA 3.41Å; M699-G709 WeakPolarHBondContact CB-O 3.05Å; M699-G709 WeakPolarHBondContact CG-O 3.37Å; M699-G709 PolarHBondContact N-O 3.12Å; M699-G709 PolarHBondContact O-N 3.44Å; A707-G709 PolarHBondContact O-N 2.93Å
710	S	75.4	Confident	66.3	Low	3 Å²	3	71 Å²	71	2%	0.021	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.3	-178.2	-50.3	0	0	0	0	111.9	I523 N525 A545 T697 R698	I523-S710 WeakPolarHBondContact O-CA 3.46Å; I523-S710 WeakPolarHBondContact O-CB 3.43Å; I523-S710 PolarHBondContact O-N 2.94Å; I523-S710 PolarHBondContact O-OG 3Å; N525-S710 PolarHBondContact N-O 3.03Å; A545-S710 WeakPolarHBondContact O-CB 3.08Å; A545-S710 PolarHBondContact O-OG 3.08Å; T697-S710 CarbonylContact O-C 3.47Å; T697-S710 WeakPolarHBondContact O-CA 3.36Å; T697-S710 WeakPolarHBondContact O-CB 3.47Å; R698-S710 WeakPolarHBondContact CA-OG 3.38Å
711	R	83.1	Confident	68.1	Low	121 Å²	121	72.2 Å²	72.2	46%	0.457	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.7	171.2	-70.4	-174.5	179.4	-174.7	2.8	109.4	T697 M699	T697-R711 PolarHBondContact N-O 3.18Å; T697-R711 PolarHBondContact O-N 3.31Å; M699-R711 HydrophobicContact CG-CG 4Å
712	V	87.7	Confident	70	Confident	16 Å²	16	65.7 Å²	65.7	10%	0.097	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.8	176	179.4	0	0	0	0	107.5	L524 V527 L550 W694 V695 C696	L524-V712 HydrophobicContact CD2-CG2 3.96Å; V527-V712 HydrophobicContact CG1-CB 3.96Å; V527-V712 HydrophobicContact CG1-CG1 4.25Å; V527-V712 HydrophobicContact CG1-CG2 4.27Å; V527-V712 HydrophobicContact CG2-CB 3.99Å; V527-V712 HydrophobicContact CG2-CG2 3.76Å; L550-V712 HydrophobicContact CD2-CG1 4.05Å; L550-V712 HydrophobicContact CD2-CG2 4.13Å; W694-V712 HydrophobicContact CE3-CG1 3.86Å; W694-V712 HydrophobicContact CZ3-CG1 4.47Å; V695-V712 WeakPolarHBondContact O-CA 3.29Å; C696-V712 HydrophobicContact CB-CG2 4.35Å
713	H	88.3	Confident	72.3	Confident	79 Å²	79	63.8 Å²	63.8	37%	0.366	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.7	-177.8	61	-73.8	0	0	0	111.1	W694 V695	W694-H713 CarbonylContact C-O 3.46Å; W694-H713 WeakPolarHBondContact CA-O 3.41Å; V695-H713 PolarHBondContact N-O 3Å; V695-H713 PolarHBondContact O-N 3.18Å; V695-H713 VanDerWaalsContact O-N 3.14Å
714	S	89	Confident	74.7	Confident	53 Å²	53	63.8 Å²	63.8	37%	0.371	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.3	177.3	-176.3	0	0	0	0	110.9
715	L	87.3	Confident	76.6	Confident	24 Å²	24	60.9 Å²	60.9	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.9	172	-75.2	-176.9	0	0	0	110.5	V693 V695 G717 G718 Y722	V693-L715 PolarHBondContact O-N 2.77Å; V695-L715 HydrophobicContact CG2-CD1 3.22Å; V695-L715 HydrophobicContact CG2-CD2 4.4Å; V695-L715 HydrophobicContact CG2-CG 3.48Å; V695-L715 VanDerWaalsContact CG2-CG 3.48Å; L715-G717 VanDerWaalsContact C-N 3.32Å; L715-G717 PolarHBondContact O-N 3.47Å; L715-G718 PolarHBondContact O-N 2.76Å; L715-Y722 HydrophobicContact CD1-CD2 4.17Å; L715-Y722 HydrophobicContact CD1-CG 4.35Å
716	P	83.5	Confident	78.6	Confident	124 Å²	124	57.6 Å²	57.6	81%	0.805	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-28	-179.2	28.5	-34.1	0	0	0	113.1	G718	P716-G718 VanDerWaalsContact C-N 3.25Å; P716-G718 PolarHBondContact O-N 2.89Å
717	G	78.6	Confident	80.7	Confident	45 Å²	45	57.1 Å²	57.1	46%	0.464	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	5.7	176.8	0	0	0	0	0	114.3	L715 E721	L715-G717 VanDerWaalsContact C-N 3.32Å; L715-G717 PolarHBondContact O-N 3.47Å; G717-E721 WeakPolarHBondContact CA-OE2 3.33Å; G717-E721 PolarHBondContact N-OE2 3.49Å
718	G	85.6	Confident	82.4	Confident	20 Å²	20	59.9 Å²	59.9	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	62.5	-146.8	177.2	0	0	0	0	0	113.4	L715 P716 E720	L715-G718 PolarHBondContact O-N 2.76Å; P716-G718 VanDerWaalsContact C-N 3.25Å; P716-G718 PolarHBondContact O-N 2.89Å; G718-E720 PolarHBondContact O-N 3.21Å
719	L	84.9	Confident	83.6	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-69.6	-34.5	-170.8	-170.1	63.2	0	0	0	113.7	M377 V540 E683 I686 Q687 E721 Y722 K723	M377-L719 HydrophobicContact CE-CD1 3.76Å; M377-L719 HydrophobicContact SD-CD1 3.65Å; V540-L719 HydrophobicContact CG1-CD1 4.45Å; E683-L719 HydrophobicContact CB-CD2 3.89Å; E683-L719 HydrophobicContact CG-CD2 4.12Å; I686-L719 HydrophobicContact CB-CD2 4.36Å; I686-L719 HydrophobicContact CG2-CD2 4.23Å; Q687-L719 HydrophobicContact CG-CD2 4.29Å; L719-E721 VanDerWaalsContact C-N 3.34Å; L719-E721 PolarHBondContact O-N 3.21Å; L719-Y722 HydrophobicContact CD1-CD1 4.49Å; L719-Y722 WeakPolarHBondContact O-CB 3.36Å; L719-Y722 PolarHBondContact O-N 2.97Å; L719-K723 WeakPolarHBondContact O-CG 3.37Å; L719-K723 PolarHBondContact O-N 3.45Å
720	E	85.7	Confident	84.4	Confident	87 Å²	87	56.8 Å²	56.8	41%	0.407	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-35.7	-178.7	-72.5	-60.1	135.9	0	0	112.4	G718 K724	G718-E720 PolarHBondContact O-N 3.21Å; E720-K724 VanDerWaalsContact O-CG 3.32Å; E720-K724 WeakPolarHBondContact O-CG 3.47Å; E720-K724 PolarHBondContact O-N 3.14Å; E720-K724 VanDerWaalsContact O-N 3.08Å
721	E	86.9	Confident	84.5	Confident	83 Å²	83	60.5 Å²	60.5	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-45.1	173.1	-176.2	175.4	-166.5	0	0	110.8	G717 L719 K724 A725	G717-E721 WeakPolarHBondContact CA-OE2 3.33Å; G717-E721 PolarHBondContact N-OE2 3.49Å; L719-E721 VanDerWaalsContact C-N 3.34Å; L719-E721 PolarHBondContact O-N 3.21Å; E721-K724 PolarHBondContact O-N 2.98Å; E721-A725 PolarHBondContact O-N 2.81Å
722	Y	85.5	Confident	83.9	Confident	18 Å²	18	60.7 Å²	60.7	7%	0.071	33%	0.333	C	S	.	.	H	α-helix	trans	-60.4	-48.4	176.6	-176.6	-112.1	0	0	0	112.2	M377 V540 V695 L715 L719 K724 A725 V726	M377-Y722 HydrophobicContact CB-CE1 4.09Å; M377-Y722 HydrophobicContact CG-CE1 4.17Å; M377-Y722 HydrophobicContact SD-CD1 3.59Å; M377-Y722 VanDerWaalsContact SD-CD1 3.59Å; M377-Y722 HydrophobicContact SD-CE1 3.67Å; V540-Y722 HydrophobicContact CB-CE1 4.25Å; V540-Y722 HydrophobicContact CG2-CD1 4.09Å; V540-Y722 HydrophobicContact CG2-CD2 4.2Å; V540-Y722 HydrophobicContact CG2-CE1 4.13Å; V540-Y722 HydrophobicContact CG2-CE2 4.26Å; V540-Y722 HydrophobicContact CG2-CG 4.12Å; V695-Y722 HydrophobicContact CG1-CD2 4.08Å; V695-Y722 HydrophobicContact CG1-CE2 3.71Å; V695-Y722 HydrophobicContact CG2-CD2 3.76Å; V695-Y722 HydrophobicContact CG2-CE2 4.19Å; L715-Y722 HydrophobicContact CD1-CD2 4.17Å; L715-Y722 HydrophobicContact CD1-CG 4.35Å; L719-Y722 HydrophobicContact CD1-CD1 4.49Å; L719-Y722 WeakPolarHBondContact O-CB 3.36Å; L719-Y722 PolarHBondContact O-N 2.97Å; Y722-K724 VanDerWaalsContact C-N 3.31Å; Y722-K724 PolarHBondContact O-N 3Å; Y722-A725 WeakPolarHBondContact O-CB 3.38Å; Y722-A725 PolarHBondContact O-N 2.78Å; Y722-V726 HydrophobicContact CD1-CG2 4.34Å; Y722-V726 HydrophobicContact CD2-CG2 4.36Å; Y722-V726 HydrophobicContact CE1-CG2 3.96Å; Y722-V726 HydrophobicContact CE2-CG2 3.96Å; Y722-V726 WeakPolarHBondContact O-CG2 3.19Å; Y722-V726 PolarHBondContact O-N 3.11Å
723	K	85.6	Confident	82.8	Confident	21 Å²	21	63.8 Å²	63.8	9%	0.091	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-40.7	178.3	-70.7	-178.8	68	171.3	0	112.4	M377 I381 E683 L719 V726 R727	M377-K723 HydrophobicContact SD-CG 4.3Å; I381-K723 HydrophobicContact CD1-CB 4.42Å; I381-K723 HydrophobicContact CD1-CG 4.23Å; E683-K723 VanDerWaalsContact OE1-CD 3.31Å; E683-K723 WeakPolarHBondContact OE1-CD 3.42Å; E683-K723 WeakPolarHBondContact OE1-CE 3.47Å; E683-K723 IonicContact OE1-NZ 3.56Å; E683-K723 PolarHBondContact OE1-NZ 3.23Å; E683-K723 IonicContact OE2-NZ 2.71Å; E683-K723 PolarHBondContact OE2-NZ 3.46Å; L719-K723 WeakPolarHBondContact O-CG 3.37Å; L719-K723 PolarHBondContact O-N 3.45Å; K723-V726 PolarHBondContact O-N 2.89Å; K723-R727 WeakPolarHBondContact O-CB 3.18Å; K723-R727 WeakPolarHBondContact O-CG 3.32Å; K723-R727 PolarHBondContact O-N 2.9Å
724	K	86.7	Confident	81.4	Confident	136 Å²	136	66.5 Å²	66.5	59%	0.591	36%	0.359	S	S	*	.	H	α-helix	trans	-63.6	-45.9	176.1	-74.9	173.6	-175.8	174.7	0	111.3	E720 E721 Y722 V726 R727 V728	E720-K724 VanDerWaalsContact O-CG 3.32Å; E720-K724 WeakPolarHBondContact O-CG 3.47Å; E720-K724 PolarHBondContact O-N 3.14Å; E720-K724 VanDerWaalsContact O-N 3.08Å; E721-K724 PolarHBondContact O-N 2.98Å; Y722-K724 VanDerWaalsContact C-N 3.31Å; Y722-K724 PolarHBondContact O-N 3Å; K724-V726 VanDerWaalsContact C-N 3.35Å; K724-V726 PolarHBondContact O-N 3.37Å; K724-R727 PolarHBondContact O-N 3.45Å; K724-V728 WeakPolarHBondContact O-CG2 3.32Å; K724-V728 PolarHBondContact O-N 2.76Å
725	A	85.3	Confident	79.1	Confident	58 Å²	58	73.1 Å²	73.1	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-58.6	-47.1	177.4	0	0	0	0	0	111.5	E721 Y722 R727 V728 E729	E721-A725 PolarHBondContact O-N 2.81Å; Y722-A725 WeakPolarHBondContact O-CB 3.38Å; Y722-A725 PolarHBondContact O-N 2.78Å; A725-R727 PolarHBondContact O-N 3.41Å; A725-V728 PolarHBondContact O-N 3.46Å; A725-E729 PolarHBondContact O-N 3.45Å
726	V	84.5	Confident	78.7	Confident	7 Å²	7	75.6 Å²	75.6	4%	0.042	40%	0.403	C	S	.	.	H	α-helix	trans	-62.2	-43.3	178	172.7	0	0	0	0	111.9	R378 I381 Y722 K723 K724 V728 E729 L730	R378-V726 HydrophobicContact CB-CG1 3.94Å; R378-V726 HydrophobicContact CG-CG1 3.96Å; I381-V726 HydrophobicContact CD1-CB 4.31Å; I381-V726 HydrophobicContact CD1-CG1 3.94Å; Y722-V726 HydrophobicContact CD1-CG2 4.34Å; Y722-V726 HydrophobicContact CD2-CG2 4.36Å; Y722-V726 HydrophobicContact CE1-CG2 3.96Å; Y722-V726 HydrophobicContact CE2-CG2 3.96Å; Y722-V726 WeakPolarHBondContact O-CG2 3.19Å; Y722-V726 PolarHBondContact O-N 3.11Å; K723-V726 PolarHBondContact O-N 2.89Å; K724-V726 VanDerWaalsContact C-N 3.35Å; K724-V726 PolarHBondContact O-N 3.37Å; V726-V728 VanDerWaalsContact C-N 3.35Å; V726-V728 PolarHBondContact O-N 2.84Å; V726-E729 PolarHBondContact O-N 3.24Å; V726-L730 HydrophobicContact CG1-CD1 4.05Å; V726-L730 HydrophobicContact CG1-CG 4.41Å; V726-L730 WeakPolarHBondContact O-CG 3.14Å; V726-L730 PolarHBondContact O-N 3.46Å
727	R	84.4	Confident	78.4	Confident	116 Å²	116	73.1 Å²	73.1	44%	0.438	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-41	176.8	-77.5	179	177.3	175.4	-0.4	112.3	I381 K723 K724 A725 E729 L730 V731	I381-R727 HydrophobicContact CG2-CG 3.8Å; K723-R727 WeakPolarHBondContact O-CB 3.18Å; K723-R727 WeakPolarHBondContact O-CG 3.32Å; K723-R727 PolarHBondContact O-N 2.9Å; K724-R727 PolarHBondContact O-N 3.45Å; A725-R727 PolarHBondContact O-N 3.41Å; R727-E729 VanDerWaalsContact C-N 3.33Å; R727-L730 PolarHBondContact O-N 3.23Å; R727-V731 VanDerWaalsContact O-CG2 3.27Å; R727-V731 WeakPolarHBondContact O-CG2 3.27Å; R727-V731 PolarHBondContact O-N 2.78Å
728	V	85.2	Confident	78.4	Confident	83 Å²	83	74.6 Å²	74.6	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-44	176.6	171.4	0	0	0	0	110.6	K724 A725 V726 V731 Q732	K724-V728 WeakPolarHBondContact O-CG2 3.32Å; K724-V728 PolarHBondContact O-N 2.76Å; A725-V728 PolarHBondContact O-N 3.46Å; V726-V728 VanDerWaalsContact C-N 3.35Å; V726-V728 PolarHBondContact O-N 2.84Å; V728-V731 PolarHBondContact O-N 2.85Å; V728-Q732 WeakPolarHBondContact O-CG 3.32Å; V728-Q732 PolarHBondContact O-N 2.79Å
729	E	81.4	Confident	78	Confident	80 Å²	80	77.8 Å²	77.8	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-43.2	176.7	-165	-172.2	158.9	0	0	112.1	R378 A725 V726 R727 V731 Q732 L733	R378-E729 IonicContact CZ-OE1 3Å; R378-E729 VanDerWaalsContact CZ-OE1 3.23Å; R378-E729 IonicContact NH1-OE1 2.86Å; R378-E729 PolarHBondContact NH1-OE1 2.88Å; R378-E729 IonicContact NH1-OE2 2.69Å; R378-E729 IonicContact NH2-OE1 2.72Å; R378-E729 PolarHBondContact NH2-OE1 3.23Å; A725-E729 PolarHBondContact O-N 3.45Å; V726-E729 PolarHBondContact O-N 3.24Å; R727-E729 VanDerWaalsContact C-N 3.33Å; E729-V731 VanDerWaalsContact C-N 3.34Å; E729-V731 PolarHBondContact O-N 3.32Å; E729-Q732 PolarHBondContact O-N 3.5Å; E729-L733 WeakPolarHBondContact O-CG 3.43Å; E729-L733 PolarHBondContact O-N 2.93Å; E729-L733 VanDerWaalsContact O-N 3.12Å
730	L	77	Confident	77.6	Confident	8 Å²	8	82 Å²	82	4%	0.042	41%	0.408	C	S	.	.	H	α-helix	trans	-65.3	-34.5	176.7	-71.8	174.8	0	0	0	112.9	R378 I381 W382 V726 R727 L733 K734	R378-L730 HydrophobicContact CG-CD2 4.33Å; I381-L730 HydrophobicContact CB-CD1 4.36Å; I381-L730 HydrophobicContact CG2-CD1 3.92Å; W382-L730 HydrophobicContact CB-CD1 4.07Å; W382-L730 HydrophobicContact CB-CD2 4.33Å; V726-L730 HydrophobicContact CG1-CD1 4.05Å; V726-L730 HydrophobicContact CG1-CG 4.41Å; V726-L730 WeakPolarHBondContact O-CG 3.14Å; V726-L730 PolarHBondContact O-N 3.46Å; R727-L730 PolarHBondContact O-N 3.23Å; L730-L733 HydrophobicContact CD2-CD1 4.44Å; L730-L733 PolarHBondContact O-N 3.33Å; L730-K734 PolarHBondContact O-N 3.22Å
731	V	77.3	Confident	77	Confident	80 Å²	80	81.7 Å²	81.7	49%	0.485	41%	0.408	S	S	.	.	H	α-helix	trans	-69.7	-40.3	174.7	170.7	0	0	0	0	110.9	R727 V728 E729 L733 K734 L735	R727-V731 VanDerWaalsContact O-CG2 3.27Å; R727-V731 WeakPolarHBondContact O-CG2 3.27Å; R727-V731 PolarHBondContact O-N 2.78Å; V728-V731 PolarHBondContact O-N 2.85Å; E729-V731 VanDerWaalsContact C-N 3.34Å; E729-V731 PolarHBondContact O-N 3.32Å; V731-L733 PolarHBondContact O-N 3.11Å; V731-K734 PolarHBondContact O-N 2.77Å; V731-K734 VanDerWaalsContact O-N 3.09Å; V731-L735 PolarHBondContact O-N 2.87Å
732	Q	70.9	Confident	76.3	Confident	125 Å²	125	81.6 Å²	81.6	58%	0.584	41%	0.409	S	S	*	.	H	α-helix	trans	-61.8	-28.2	174.8	-74.2	176.3	-5.9	0	0	112.8	V728 E729	V728-Q732 WeakPolarHBondContact O-CG 3.32Å; V728-Q732 PolarHBondContact O-N 2.79Å; E729-Q732 PolarHBondContact O-N 3.5Å
733	L	64.5	Low	75.6	Confident	82 Å²	82	86.5 Å²	86.5	43%	0.429	44%	0.435	S	S	.	.	H	α-helix	trans	-79.3	-20.6	174.9	-73	165.7	0	0	0	114.3	H329 E729 L730 V731	H329-L733 WeakPolarHBondContact NE2-CD1 3.36Å; H329-L733 WeakPolarHBondContact NE2-CD2 3.41Å; E729-L733 WeakPolarHBondContact O-CG 3.43Å; E729-L733 PolarHBondContact O-N 2.93Å; E729-L733 VanDerWaalsContact O-N 3.12Å; L730-L733 HydrophobicContact CD2-CD1 4.44Å; L730-L733 PolarHBondContact O-N 3.33Å; V731-L733 PolarHBondContact O-N 3.11Å
734	K	59.7	Low	74.8	Confident	135 Å²	135	91.9 Å²	91.9	59%	0.587	46%	0.464	S	S	*	.	H	α-helix	trans	-80.5	-22.1	174.3	-73.1	178.2	-177.7	171	0	111.8	D385 L730 V731	D385-K734 IonicContact OD2-NZ 3.42Å; D385-K734 PolarHBondContact OD2-NZ 2.75Å; L730-K734 PolarHBondContact O-N 3.22Å; V731-K734 PolarHBondContact O-N 2.77Å; V731-K734 VanDerWaalsContact O-N 3.09Å
735	L	40.3	Very low	73.7	Confident	193 Å²	193	87.9 Å²	87.9	100%	1.01	45%	0.452	S	S	*	.			trans	-84.2	0	173.7	-71.2	165.9	0	0	0	110.2	V731	V731-L735 PolarHBondContact O-N 2.87Å

Retrieved 735 of 735 residues in 1383.4 ms (Link to these results)

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