A0A087XUK4_POEFO Loading...

Anion exchange protein

AlphaFold DB , UniProt , Accession A0A087XUK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 772 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.3	Low	68.5	Low	75 Å²	75	51 Å²	51	37%	0.369	30%	0.301	S	S	.	.				0	136.9	0	-73	-169.9	176.2	0	0	108.9	A3 K12 E16 V91 R92 S94	M1-A3 PolarHBondContact O-N 3.34Å; M1-K12 HydrophobicContact SD-CB 4.41Å; M1-K12 HydrophobicContact SD-CD 4.26Å; M1-E16 WeakPolarHBondContact CE-OE2 3.28Å; M1-V91 HydrophobicContact SD-CG1 4.37Å; M1-R92 PolarHBondContact N-O 2.71Å; M1-S94 PolarHBondContact N-OG 2.88Å; M1-S94 PolarHBondContact O-OG 3.18Å; M1-S94 VanDerWaalsContact O-OG 3.04Å
2	N	47.1	Very low	69.6	Low	124 Å²	124	53.9 Å²	53.9	66%	0.663	31%	0.307	S	S	*	.			trans	-87.1	102.9	171.1	-70.2	4.8	0	0	0	108.7	K12 S94	N2-K12 PolarHBondContact O-NZ 3.49Å; N2-S94 PolarHBondContact OD1-OG 2.99Å
3	A	55.4	Low	70.6	Confident	11 Å²	11	50.4 Å²	50.4	9%	0.091	29%	0.287	C	S	.	.			trans	-148.2	130.1	175.6	0	0	0	0	0	108.6	M1 V9	M1-A3 PolarHBondContact O-N 3.34Å; A3-V9 HydrophobicContact CB-CG2 3.63Å
4	S	60	Low	71.6	Confident	89 Å²	89	46.8 Å²	46.8	62%	0.622	27%	0.266	S	S	*	.	S	Bend	trans	-93.4	-12.7	-172.3	52.2	0	0	0	0	114.3
5	T	72.3	Confident	72.5	Confident	71 Å²	71	48.5 Å²	48.5	44%	0.436	27%	0.274	S	S	.	.	S	Bend	trans	-135	150.2	-176.4	63	0	0	0	0	111.8	A7 S8 V9	T5-A7 PolarHBondContact O-N 3.11Å; T5-S8 PolarHBondContact O-N 3.47Å; T5-S8 VanDerWaalsContact O-N 3.11Å; T5-S8 PolarHBondContact OG1-N 3.19Å; T5-V9 PolarHBondContact O-N 2.67Å; T5-V9 VanDerWaalsContact O-N 3.09Å
6	L	72.2	Confident	73.2	Confident	24 Å²	24	50.3 Å²	50.3	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-34.6	174.8	-177.2	71.1	0	0	0	111.4	V9 A10 M99 V102	L6-V9 PolarHBondContact O-N 3.04Å; L6-A10 VanDerWaalsContact O-CB 3.29Å; L6-A10 WeakPolarHBondContact O-CB 3.45Å; L6-A10 PolarHBondContact O-N 2.69Å; L6-M99 HydrophobicContact CB-SD 4Å; L6-M99 HydrophobicContact CD1-SD 4.29Å; L6-V102 HydrophobicContact CB-CG2 4.07Å; L6-V102 HydrophobicContact CD1-CG2 4.48Å; L6-V102 HydrophobicContact CD2-CG2 3.6Å; L6-V102 HydrophobicContact CG-CG2 4.24Å
7	A	74.6	Confident	73.7	Confident	35 Å²	35	48.2 Å²	48.2	29%	0.289	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-42	177.8	0	0	0	0	0	113.1	T5 V9 A10 E11 L36	T5-A7 PolarHBondContact O-N 3.11Å; A7-V9 VanDerWaalsContact C-N 3.32Å; A7-V9 PolarHBondContact O-N 3.21Å; A7-A10 PolarHBondContact O-N 2.97Å; A7-E11 WeakPolarHBondContact O-CB 3.45Å; A7-E11 WeakPolarHBondContact O-CG 3.41Å; A7-E11 PolarHBondContact O-N 3.47Å; A7-L36 HydrophobicContact CB-CD2 3.8Å
8	S	78.5	Confident	74.3	Confident	32 Å²	32	47.7 Å²	47.7	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-35.7	174.7	-177.4	0	0	0	0	112.2	T5 K12	T5-S8 PolarHBondContact O-N 3.47Å; T5-S8 VanDerWaalsContact O-N 3.11Å; T5-S8 PolarHBondContact OG1-N 3.19Å; S8-K12 WeakPolarHBondContact O-CG 3.32Å; S8-K12 PolarHBondContact O-N 3.47Å
9	V	78.1	Confident	74.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-46.5	174.5	175.5	0	0	0	0	110.5	A3 T5 L6 A7 K12 I13 V91 L93 M99	A3-V9 HydrophobicContact CB-CG2 3.63Å; T5-V9 PolarHBondContact O-N 2.67Å; T5-V9 VanDerWaalsContact O-N 3.09Å; L6-V9 PolarHBondContact O-N 3.04Å; A7-V9 VanDerWaalsContact C-N 3.32Å; A7-V9 PolarHBondContact O-N 3.21Å; V9-K12 PolarHBondContact O-N 2.94Å; V9-I13 HydrophobicContact CG1-CD1 3.74Å; V9-I13 HydrophobicContact CG1-CG1 4.4Å; V9-I13 WeakPolarHBondContact O-CG1 3.38Å; V9-I13 PolarHBondContact O-N 3.47Å; V9-V91 HydrophobicContact CG1-CG1 4.39Å; V9-L93 HydrophobicContact CG2-CD2 4.12Å; V9-M99 HydrophobicContact CG2-CE 4.12Å
10	A	79.5	Confident	75.2	Confident	6 Å²	6	54.3 Å²	54.3	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-45.8	179.5	0	0	0	0	0	112.1	L6 A7 K12 I13 V14 L35	L6-A10 VanDerWaalsContact O-CB 3.29Å; L6-A10 WeakPolarHBondContact O-CB 3.45Å; L6-A10 PolarHBondContact O-N 2.69Å; A7-A10 PolarHBondContact O-N 2.97Å; A10-K12 PolarHBondContact O-N 3.4Å; A10-I13 PolarHBondContact O-N 3.28Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.23Å; A10-L35 HydrophobicContact CB-CB 4.27Å; A10-L35 HydrophobicContact CB-CD1 4.29Å
11	E	83.4	Confident	75.3	Confident	93 Å²	93	54.6 Å²	54.6	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-54.5	-50	174.6	-85	173.8	-176.8	0	0	111.8	A7 I13 V14 D15 L32	A7-E11 WeakPolarHBondContact O-CB 3.45Å; A7-E11 WeakPolarHBondContact O-CG 3.41Å; A7-E11 PolarHBondContact O-N 3.47Å; E11-I13 PolarHBondContact O-N 3.36Å; E11-V14 PolarHBondContact O-N 2.94Å; E11-D15 WeakPolarHBondContact O-CB 3.43Å; E11-D15 VanDerWaalsContact O-CG 3.27Å; E11-D15 PolarHBondContact O-N 2.83Å; E11-L32 HydrophobicContact CG-CD1 3.59Å
12	K	82.3	Confident	76.5	Confident	86 Å²	86	56.7 Å²	56.7	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-39.6	178.3	-75.3	-179.9	179.5	177.5	0	112.8	M1 N2 S8 V9 A10 E16	M1-K12 HydrophobicContact SD-CB 4.41Å; M1-K12 HydrophobicContact SD-CD 4.26Å; N2-K12 PolarHBondContact O-NZ 3.49Å; S8-K12 WeakPolarHBondContact O-CG 3.32Å; S8-K12 PolarHBondContact O-N 3.47Å; V9-K12 PolarHBondContact O-N 2.94Å; A10-K12 PolarHBondContact O-N 3.4Å; K12-E16 VanDerWaalsContact O-CB 3.32Å; K12-E16 WeakPolarHBondContact O-CB 3.34Å; K12-E16 PolarHBondContact O-N 2.74Å
13	I	82.8	Confident	78.1	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-49.5	175.2	-71.1	165.1	0	0	0	110	V9 A10 E11 D15 E16 L17 A89 V91 M114	V9-I13 HydrophobicContact CG1-CD1 3.74Å; V9-I13 HydrophobicContact CG1-CG1 4.4Å; V9-I13 WeakPolarHBondContact O-CG1 3.38Å; V9-I13 PolarHBondContact O-N 3.47Å; A10-I13 PolarHBondContact O-N 3.28Å; E11-I13 PolarHBondContact O-N 3.36Å; I13-D15 PolarHBondContact O-N 2.85Å; I13-E16 PolarHBondContact O-N 3.21Å; I13-L17 HydrophobicContact CG2-CD1 3.66Å; I13-L17 HydrophobicContact CG2-CG 4.34Å; I13-L17 WeakPolarHBondContact O-CB 3.36Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 2.7Å; I13-A89 HydrophobicContact CG2-CB 3.82Å; I13-V91 HydrophobicContact CD1-CG2 3.62Å; I13-V91 HydrophobicContact CG1-CG2 3.61Å; I13-M114 HydrophobicContact CG2-CE 3.63Å; I13-M114 HydrophobicContact CG2-SD 4.07Å
14	V	83.6	Confident	79.3	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-43.1	-177.9	-172.1	0	0	0	0	110.7	A10 E11 E16 L17 V18 R28 L31 L32 L35	A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.23Å; E11-V14 PolarHBondContact O-N 2.94Å; V14-E16 VanDerWaalsContact C-N 3.34Å; V14-E16 PolarHBondContact O-N 3.38Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-V18 WeakPolarHBondContact O-CG2 3.2Å; V14-V18 PolarHBondContact O-N 3.34Å; V14-R28 HydrophobicContact CG1-CB 4.25Å; V14-R28 HydrophobicContact CG1-CG 3.69Å; V14-L31 HydrophobicContact CB-CD2 4.33Å; V14-L31 HydrophobicContact CG1-CD2 3.96Å; V14-L31 HydrophobicContact CG2-CD2 3.75Å; V14-L31 HydrophobicContact CG2-CG 4.43Å; V14-L32 HydrophobicContact CG2-CB 4.2Å; V14-L35 HydrophobicContact CG2-CD1 4.03Å
15	D	84.8	Confident	80.1	Confident	72 Å²	72	56.8 Å²	56.8	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-39.1	178.6	-70.3	-20.9	0	0	0	111.8	E11 I13 V18 S19 R28	E11-D15 WeakPolarHBondContact O-CB 3.43Å; E11-D15 VanDerWaalsContact O-CG 3.27Å; E11-D15 PolarHBondContact O-N 2.83Å; I13-D15 PolarHBondContact O-N 2.85Å; D15-V18 PolarHBondContact O-N 2.91Å; D15-S19 WeakPolarHBondContact O-CB 3.43Å; D15-S19 PolarHBondContact O-N 3.5Å; D15-R28 IonicContact OD1-CZ 2.66Å; D15-R28 VanDerWaalsContact OD1-CZ 3.29Å; D15-R28 IonicContact OD1-NE 2.96Å; D15-R28 PolarHBondContact OD1-NE 3.27Å; D15-R28 IonicContact OD1-NH2 3.65Å; D15-R28 PolarHBondContact OD1-NH2 3.46Å; D15-R28 IonicContact OD2-NH2 2.71Å
16	E	83.7	Confident	80.4	Confident	78 Å²	78	58.5 Å²	58.5	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-39.8	175.7	-162.2	-179.5	163.3	0	0	111.6	M1 K12 I13 V14 S19 K20	M1-E16 WeakPolarHBondContact CE-OE2 3.28Å; K12-E16 VanDerWaalsContact O-CB 3.32Å; K12-E16 WeakPolarHBondContact O-CB 3.34Å; K12-E16 PolarHBondContact O-N 2.74Å; I13-E16 PolarHBondContact O-N 3.21Å; V14-E16 VanDerWaalsContact C-N 3.34Å; V14-E16 PolarHBondContact O-N 3.38Å; E16-S19 WeakPolarHBondContact CA-OG 3.4Å; E16-S19 PolarHBondContact O-N 3.3Å; E16-S19 PolarHBondContact O-OG 2.9Å; E16-K20 HydrophobicContact CG-CD 4.44Å; E16-K20 WeakPolarHBondContact O-CG 3.21Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 VanDerWaalsContact OE1-CE 3.28Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 3.6Å; E16-K20 PolarHBondContact OE1-NZ 3.29Å
17	L	82.7	Confident	80.7	Confident	15 Å²	15	58.3 Å²	58.3	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-37.7	176.1	-72.2	169	0	0	0	112.7	I13 V14 G21 E22 I23 L31 V87 M114	I13-L17 HydrophobicContact CG2-CD1 3.66Å; I13-L17 HydrophobicContact CG2-CG 4.34Å; I13-L17 WeakPolarHBondContact O-CB 3.36Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 2.7Å; V14-L17 PolarHBondContact O-N 2.85Å; L17-G21 PolarHBondContact O-N 2.82Å; L17-E22 HydrophobicContact CD2-CB 4.14Å; L17-E22 HydrophobicContact CD2-CG 4.34Å; L17-E22 PolarHBondContact O-N 2.95Å; L17-I23 HydrophobicContact CB-CD1 3.94Å; L17-I23 HydrophobicContact CB-CG1 4.22Å; L17-I23 HydrophobicContact CD1-CD1 3.94Å; L17-L31 HydrophobicContact CD1-CD2 4.39Å; L17-V87 HydrophobicContact CD1-CG1 3.72Å; L17-V87 HydrophobicContact CD2-CG1 3.52Å; L17-V87 HydrophobicContact CG-CG1 4.2Å; L17-M114 HydrophobicContact CD1-CE 3.65Å
18	V	84.9	Confident	81	Confident	39 Å²	39	60.2 Å²	60.2	24%	0.236	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-41	172.7	173.7	0	0	0	0	110.5	V14 D15 K20 G21 I23 P25 R28	V14-V18 WeakPolarHBondContact O-CG2 3.2Å; V14-V18 PolarHBondContact O-N 3.34Å; D15-V18 PolarHBondContact O-N 2.91Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 2.67Å; V18-G21 PolarHBondContact O-N 3.01Å; V18-G21 VanDerWaalsContact O-N 3.11Å; V18-I23 HydrophobicContact CG2-CB 4.45Å; V18-P25 HydrophobicContact CG1-CG 4.44Å; V18-R28 HydrophobicContact CG2-CB 4.3Å
19	S	84.1	Confident	81.1	Confident	94 Å²	94	63 Å²	63	66%	0.657	34%	0.337	S	S	*	.	H	α-helix	trans	-64	-34.3	178.7	79	0	0	0	0	113.4	D15 E16 G21	D15-S19 WeakPolarHBondContact O-CB 3.43Å; D15-S19 PolarHBondContact O-N 3.5Å; E16-S19 WeakPolarHBondContact CA-OG 3.4Å; E16-S19 PolarHBondContact O-N 3.3Å; E16-S19 PolarHBondContact O-OG 2.9Å; S19-G21 VanDerWaalsContact C-N 3.27Å; S19-G21 PolarHBondContact O-N 3.29Å
20	K	81.1	Confident	81	Confident	132 Å²	132	65.2 Å²	65.2	57%	0.574	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5	176.6	-71.6	179.2	-178.1	169.4	0	113.2	E16 V18 E22	E16-K20 HydrophobicContact CG-CD 4.44Å; E16-K20 WeakPolarHBondContact O-CG 3.21Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 VanDerWaalsContact OE1-CE 3.28Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 3.6Å; E16-K20 PolarHBondContact OE1-NZ 3.29Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 2.67Å; K20-E22 VanDerWaalsContact C-N 3.28Å; K20-E22 HydrophobicContact CB-CG 4.22Å; K20-E22 PolarHBondContact O-N 3.04Å
21	G	77.3	Confident	80.9	Confident	62 Å²	62	65 Å²	65	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	13.7	-179.8	0	0	0	0	0	114.5	L17 V18 S19 I23	L17-G21 PolarHBondContact O-N 2.82Å; V18-G21 PolarHBondContact O-N 3.01Å; V18-G21 VanDerWaalsContact O-N 3.11Å; S19-G21 VanDerWaalsContact C-N 3.27Å; S19-G21 PolarHBondContact O-N 3.29Å; G21-I23 VanDerWaalsContact C-N 3.29Å
22	E	78.4	Confident	80.8	Confident	119 Å²	119	61.8 Å²	61.8	56%	0.556	34%	0.336	S	S	*	.	S	Bend	trans	-73.4	-24.5	178	-66.7	-64.6	163.3	0	0	111.9	L17 K20	L17-E22 HydrophobicContact CD2-CB 4.14Å; L17-E22 HydrophobicContact CD2-CG 4.34Å; L17-E22 PolarHBondContact O-N 2.95Å; K20-E22 VanDerWaalsContact C-N 3.28Å; K20-E22 HydrophobicContact CB-CG 4.22Å; K20-E22 PolarHBondContact O-N 3.04Å
23	I	80.6	Confident	80.6	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.051	35%	0.351	C	S	.	.	S	Bend	trans	-134	143.5	-177.9	-57.8	-176.7	0	0	0	110.3	L17 V18 G21 D27 L31 L83 V87	L17-I23 HydrophobicContact CB-CD1 3.94Å; L17-I23 HydrophobicContact CB-CG1 4.22Å; L17-I23 HydrophobicContact CD1-CD1 3.94Å; V18-I23 HydrophobicContact CG2-CB 4.45Å; G21-I23 VanDerWaalsContact C-N 3.29Å; I23-D27 HydrophobicContact CG2-CB 3.79Å; I23-L31 HydrophobicContact CD1-CD1 4.48Å; I23-L31 HydrophobicContact CD1-CD2 3.46Å; I23-L31 VanDerWaalsContact CD1-CD2 3.46Å; I23-L83 HydrophobicContact CD1-CD2 4.36Å; I23-L83 HydrophobicContact CG1-CD2 4.37Å; I23-L83 HydrophobicContact CG2-CD2 4.3Å; I23-V87 HydrophobicContact CD1-CG1 4.17Å; I23-V87 HydrophobicContact CD1-CG2 4.06Å; I23-V87 HydrophobicContact CG1-CG1 4.46Å; I23-V87 HydrophobicContact CG1-CG2 3.89Å
24	R	79.4	Confident	80.2	Confident	109 Å²	109	67.7 Å²	67.7	41%	0.411	36%	0.364	S	S	.	.			trans	-70.7	144.7	174.1	-67.9	-178.8	-77.4	-158.4	-6.2	110.9	T26 D27	R24-T26 PolarHBondContact O-N 3.47Å; R24-D27 IonicContact CZ-OD2 2.84Å; R24-D27 IonicContact NE-OD2 2.83Å; R24-D27 PolarHBondContact NE-OD2 2.95Å; R24-D27 IonicContact NH2-OD2 3.69Å; R24-D27 PolarHBondContact O-N 3.23Å
25	P	77.1	Confident	79.7	Confident	106 Å²	106	68.3 Å²	68.3	69%	0.688	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-56	-27.5	177.3	-24.2	32.7	0	0	0	113.8	V18 D27 R28	V18-P25 HydrophobicContact CG1-CG 4.44Å; P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 PolarHBondContact O-N 2.95Å; P25-R28 WeakPolarHBondContact O-CB 3.12Å
26	T	78.3	Confident	79.1	Confident	108 Å²	108	68.5 Å²	68.5	66%	0.663	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-68.1	-26.4	176.8	52.9	0	0	0	0	113.8	R24	R24-T26 PolarHBondContact O-N 3.47Å
27	D	79.1	Confident	78.4	Confident	20 Å²	20	70.7 Å²	70.7	11%	0.107	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-95.3	-6	-171.5	-54.1	-19.8	0	0	0	111	I23 R24 P25 S30 L31	I23-D27 HydrophobicContact CG2-CB 3.79Å; R24-D27 IonicContact CZ-OD2 2.84Å; R24-D27 IonicContact NE-OD2 2.83Å; R24-D27 PolarHBondContact NE-OD2 2.95Å; R24-D27 IonicContact NH2-OD2 3.69Å; R24-D27 PolarHBondContact O-N 3.23Å; P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 PolarHBondContact O-N 2.95Å; D27-S30 PolarHBondContact O-N 2.93Å; D27-L31 PolarHBondContact O-N 2.93Å
28	R	81.7	Confident	77	Confident	75 Å²	75	81.8 Å²	81.8	28%	0.283	42%	0.422	S	S	.	.	H	α-helix	trans	-53.6	-58.1	-179.8	177.3	-179.6	-177.2	-84.1	0.4	112.8	V14 D15 V18 P25 S30 L31 L32	V14-R28 HydrophobicContact CG1-CB 4.25Å; V14-R28 HydrophobicContact CG1-CG 3.69Å; D15-R28 IonicContact OD1-CZ 2.66Å; D15-R28 VanDerWaalsContact OD1-CZ 3.29Å; D15-R28 IonicContact OD1-NE 2.96Å; D15-R28 PolarHBondContact OD1-NE 3.27Å; D15-R28 IonicContact OD1-NH2 3.65Å; D15-R28 PolarHBondContact OD1-NH2 3.46Å; D15-R28 IonicContact OD2-NH2 2.71Å; V18-R28 HydrophobicContact CG2-CB 4.3Å; P25-R28 WeakPolarHBondContact O-CB 3.12Å; R28-S30 VanDerWaalsContact C-N 3.26Å; R28-S30 PolarHBondContact O-N 3.44Å; R28-L31 PolarHBondContact O-N 3.4Å; R28-L32 WeakPolarHBondContact O-CB 3.38Å; R28-L32 PolarHBondContact O-N 3.23Å
29	D	79.6	Confident	75.7	Confident	90 Å²	90	86.4 Å²	86.4	48%	0.481	44%	0.435	S	S	.	.	H	α-helix	trans	-69.3	-29.6	-172.7	-67.2	-15.5	0	0	0	111.7	R33	D29-R33 WeakPolarHBondContact O-CB 3.49Å; D29-R33 WeakPolarHBondContact O-CG 3.35Å; D29-R33 PolarHBondContact O-N 3.31Å
30	S	75.9	Confident	73.8	Confident	48 Å²	48	86.7 Å²	86.7	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-70.3	-43.7	175.6	-62.2	0	0	0	0	111.8	D27 R28 A34	D27-S30 PolarHBondContact O-N 2.93Å; R28-S30 VanDerWaalsContact C-N 3.26Å; R28-S30 PolarHBondContact O-N 3.44Å; S30-A34 WeakPolarHBondContact O-CB 3.45Å; S30-A34 PolarHBondContact O-N 3.11Å
31	L	78.6	Confident	72.2	Confident	1 Å²	1	86.9 Å²	86.9	1%	0.005	44%	0.44	C	S	.	.	H	α-helix	trans	-64.9	-45.1	175.3	-168.9	84.1	0	0	0	111.3	V14 L17 I23 D27 R28 R33 A34 L35 L80 L83 V116	V14-L31 HydrophobicContact CB-CD2 4.33Å; V14-L31 HydrophobicContact CG1-CD2 3.96Å; V14-L31 HydrophobicContact CG2-CD2 3.75Å; V14-L31 HydrophobicContact CG2-CG 4.43Å; L17-L31 HydrophobicContact CD1-CD2 4.39Å; I23-L31 HydrophobicContact CD1-CD1 4.48Å; I23-L31 HydrophobicContact CD1-CD2 3.46Å; I23-L31 VanDerWaalsContact CD1-CD2 3.46Å; D27-L31 PolarHBondContact O-N 2.93Å; R28-L31 PolarHBondContact O-N 3.4Å; L31-R33 VanDerWaalsContact C-N 3.35Å; L31-R33 PolarHBondContact O-N 3.46Å; L31-A34 WeakPolarHBondContact O-CB 3.37Å; L31-A34 PolarHBondContact O-N 3.03Å; L31-A34 VanDerWaalsContact O-N 3.14Å; L31-L35 HydrophobicContact CD2-CD1 4.43Å; L31-L35 HydrophobicContact CG-CD1 4.26Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.3Å; L31-L80 HydrophobicContact CD1-CD2 3.97Å; L31-L83 HydrophobicContact CD1-CD1 4.08Å; L31-V116 HydrophobicContact CD1-CB 4.46Å; L31-V116 HydrophobicContact CD1-CG1 4.39Å
32	L	80.9	Confident	70	Confident	25 Å²	25	91 Å²	91	13%	0.131	45%	0.447	C	S	.	.	H	α-helix	trans	-61.3	-43.8	178.6	-175.3	151.9	0	0	0	111.1	E11 V14 R28 A34 L35 L36	E11-L32 HydrophobicContact CG-CD1 3.59Å; V14-L32 HydrophobicContact CG2-CB 4.2Å; R28-L32 WeakPolarHBondContact O-CB 3.38Å; R28-L32 PolarHBondContact O-N 3.23Å; L32-A34 PolarHBondContact O-N 3.18Å; L32-L35 PolarHBondContact O-N 3.2Å; L32-L36 HydrophobicContact CD2-CD1 3.57Å; L32-L36 HydrophobicContact CD2-CG 4.5Å; L32-L36 HydrophobicContact CG-CD1 4.28Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.35Å; L32-L36 PolarHBondContact O-N 3.09Å
33	R	78.1	Confident	68	Low	182 Å²	182	93.7 Å²	93.7	69%	0.687	46%	0.46	S	S	*	.	H	α-helix	trans	-61	-43.4	172.6	-77.1	175.2	-174.8	178.6	4.5	111.9	D29 L31 L35 L36 L37	D29-R33 WeakPolarHBondContact O-CB 3.49Å; D29-R33 WeakPolarHBondContact O-CG 3.35Å; D29-R33 PolarHBondContact O-N 3.31Å; L31-R33 VanDerWaalsContact C-N 3.35Å; L31-R33 PolarHBondContact O-N 3.46Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 2.89Å; R33-L36 PolarHBondContact O-N 3.37Å; R33-L37 WeakPolarHBondContact O-CG 3.44Å; R33-L37 PolarHBondContact O-N 3.48Å; R33-L37 VanDerWaalsContact O-N 3.15Å
34	A	74.6	Confident	65.9	Low	37 Å²	37	95.9 Å²	95.9	31%	0.306	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-37.7	179.4	0	0	0	0	0	112.7	S30 L31 L32	S30-A34 WeakPolarHBondContact O-CB 3.45Å; S30-A34 PolarHBondContact O-N 3.11Å; L31-A34 WeakPolarHBondContact O-CB 3.37Å; L31-A34 PolarHBondContact O-N 3.03Å; L31-A34 VanDerWaalsContact O-N 3.14Å; L32-A34 PolarHBondContact O-N 3.18Å
35	L	72.8	Confident	63.8	Low	12 Å²	12	96.1 Å²	96.1	6%	0.063	50%	0.501	C	S	.	.	H	α-helix	trans	-72.8	-28.4	178.4	-66.5	170.2	0	0	0	113.3	A10 V14 L31 L32 R33 L76 M114	A10-L35 HydrophobicContact CB-CB 4.27Å; A10-L35 HydrophobicContact CB-CD1 4.29Å; V14-L35 HydrophobicContact CG2-CD1 4.03Å; L31-L35 HydrophobicContact CD2-CD1 4.43Å; L31-L35 HydrophobicContact CG-CD1 4.26Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.3Å; L32-L35 PolarHBondContact O-N 3.2Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 2.89Å; L35-L76 HydrophobicContact CD2-CD1 4.29Å; L35-M114 HydrophobicContact CD1-SD 3.54Å; L35-M114 VanDerWaalsContact CD1-SD 3.54Å; L35-M114 HydrophobicContact CD2-CG 3.97Å; L35-M114 HydrophobicContact CD2-SD 3.41Å; L35-M114 WeakPolarHBondContact CD2-SD 3.48Å; L35-M114 HydrophobicContact CG-SD 4.09Å
36	L	72.4	Confident	61.8	Low	76 Å²	76	96.2 Å²	96.2	40%	0.398	50%	0.499	S	S	.	.	H	α-helix	trans	-92.3	-4.8	-178.7	-66	-179.9	0	0	0	114.6	A7 L32 R33 R38	A7-L36 HydrophobicContact CB-CD2 3.8Å; L32-L36 HydrophobicContact CD2-CD1 3.57Å; L32-L36 HydrophobicContact CD2-CG 4.5Å; L32-L36 HydrophobicContact CG-CD1 4.28Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.35Å; L32-L36 PolarHBondContact O-N 3.09Å; R33-L36 PolarHBondContact O-N 3.37Å; L36-R38 PolarHBondContact O-N 2.96Å
37	L	68.8	Low	59.8	Low	124 Å²	124	97 Å²	97	65%	0.649	50%	0.504	S	S	*	.	S	Bend	trans	-59.5	129.3	177.3	-82.8	165.1	0	0	0	111.2	R33 R39	R33-L37 WeakPolarHBondContact O-CG 3.44Å; R33-L37 PolarHBondContact O-N 3.48Å; R33-L37 VanDerWaalsContact O-N 3.15Å; L37-R39 WeakPolarHBondContact O-CG 3.31Å; L37-R39 PolarHBondContact O-N 2.8Å
38	R	54	Low	57.6	Low	249 Å²	249	100 Å²	100	94%	0.94	52%	0.523	S	S	*	.			trans	-66.7	112.6	175.6	-161.4	-179.7	-172.3	-167.7	2.5	108.7	L36	L36-R38 PolarHBondContact O-N 2.96Å
39	R	57.9	Low	55.3	Low	136 Å²	136	103 Å²	103	51%	0.513	55%	0.552	S	S	.	*			trans	-80	126.1	-171.5	-60.6	-178.7	-173.8	174	2.2	110.7	L37 Q41	L37-R39 WeakPolarHBondContact O-CG 3.31Å; L37-R39 PolarHBondContact O-N 2.8Å; R39-Q41 PolarHBondContact O-N 3.31Å
40	S	42.8	Very low	53.2	Low	100 Å²	100	102.6 Å²	102.6	70%	0.699	56%	0.561	S	S	*	*			trans	-70.5	111.8	169.7	173.8	0	0	0	0	108.9	N42	S40-N42 PolarHBondContact O-N 3.35Å; S40-N42 VanDerWaalsContact OG-CB 3.32Å; S40-N42 WeakPolarHBondContact OG-CB 3.47Å; S40-N42 PolarHBondContact OG-N 3.04Å
41	Q	47.2	Very low	51.2	Low	135 Å²	135	103.3 Å²	103.3	63%	0.631	58%	0.576	S	S	*	*			trans	-88.1	36.7	165.9	-66.6	-156.8	11.5	0	0	111.3	R39 E104	R39-Q41 PolarHBondContact O-N 3.31Å; Q41-E104 PolarHBondContact OE1-OE1 3.49Å
42	N	32.8	Very low	49	Very low	149 Å²	149	111.9 Å²	111.9	80%	0.797	62%	0.622	S	S	*	*			trans	-98.2	12.3	-170.6	-121.7	22.8	0	0	0	114.9	S40	S40-N42 PolarHBondContact O-N 3.35Å; S40-N42 VanDerWaalsContact OG-CB 3.32Å; S40-N42 WeakPolarHBondContact OG-CB 3.47Å; S40-N42 PolarHBondContact OG-N 3.04Å
43	E	35.6	Very low	46.7	Very low	175 Å²	175	117.4 Å²	117.4	82%	0.818	65%	0.65	S	S	*	*	S	Bend	trans	-104.9	119.7	167	-74	-173.1	167.7	0	0	109.2
44	G	35.4	Very low	44.3	Very low	56 Å²	56	117 Å²	117	58%	0.577	66%	0.656	S	S	*	*			trans	-56.8	170.5	176.1	0	0	0	0	0	112.6	V46	G44-V46 PolarHBondContact O-N 3.25Å
45	P	36.5	Very low	42.2	Very low	114 Å²	114	123.2 Å²	123.2	74%	0.74	68%	0.681	S	S	*	*			trans	-55.8	114.7	-175	22.5	-32.6	0	0	0	111	V47	P45-V47 PolarHBondContact O-N 3.4Å
46	V	35.3	Very low	40.1	Very low	108 Å²	108	128.6 Å²	128.6	66%	0.655	71%	0.705	S	S	*	*			trans	-70.1	101.6	172.9	178.6	0	0	0	0	107.9	G44 T48	G44-V46 PolarHBondContact O-N 3.25Å; V46-T48 PolarHBondContact O-N 2.87Å
47	V	35.7	Very low	38.2	Very low	126 Å²	126	131.1 Å²	131.1	76%	0.764	72%	0.724	S	S	*	*			trans	-69.8	109.3	165.8	-179.6	0	0	0	0	107	P45	P45-V47 PolarHBondContact O-N 3.4Å
48	T	33.7	Very low	36.8	Very low	83 Å²	83	132.7 Å²	132.7	51%	0.509	73%	0.726	S	S	.	*			trans	-66.5	126.1	167	31.9	0	0	0	0	109	V46 A50	V46-T48 PolarHBondContact O-N 2.87Å; T48-A50 PolarHBondContact O-N 3.39Å
49	P	33.5	Very low	36	Very low	137 Å²	137	123.5 Å²	123.5	89%	0.89	70%	0.7	S	S	*	*			trans	-81.7	58.3	179.9	34.7	-34	0	0	0	110.5
50	A	33.7	Very low	35.2	Very low	81 Å²	81	120.5 Å²	120.5	67%	0.669	70%	0.696	S	S	*	*	S	Bend	trans	-128.1	95.8	171.1	0	0	0	0	0	108.2	T48	T48-A50 PolarHBondContact O-N 3.39Å
51	G	35.2	Very low	35.2	Very low	63 Å²	63	120.9 Å²	120.9	65%	0.649	69%	0.69	S	S	*	*	S	Bend	trans	48.2	104.8	161.7	0	0	0	0	0	118.4	I53	G51-I53 PolarHBondContact O-N 2.91Å
52	D	32.8	Very low	34.9	Very low	182 Å²	182	123.4 Å²	123.4	97%	0.973	70%	0.699	S	S	*	*	S	Bend	trans	33	19	148	-99.4	7.5	0	0	0	122
53	I	32.4	Very low	35.4	Very low	141 Å²	141	123.2 Å²	123.2	72%	0.723	69%	0.69	S	S	*	*			trans	-106.8	92.4	167.4	-56	176.6	0	0	0	106.4	G51 M55	G51-I53 PolarHBondContact O-N 2.91Å; I53-M55 VanDerWaalsContact C-N 3.25Å; I53-M55 HydrophobicContact CG2-CG 4.27Å; I53-M55 PolarHBondContact O-N 3.01Å
54	Q	26.3	Very low	35.7	Very low	174 Å²	174	121.9 Å²	121.9	81%	0.813	68%	0.678	S	S	*	*			trans	-63.1	90.9	163.1	-85	-176.2	-9.1	0	0	108.3	Q56	Q54-Q56 PolarHBondContact O-N 3.26Å
55	M	31.6	Very low	36	Very low	167 Å²	167	126.9 Å²	126.9	82%	0.823	69%	0.691	S	S	*	*			trans	-66.2	103.9	159.6	-74.9	-149.5	-120.8	0	0	107.3	I53 T57	I53-M55 VanDerWaalsContact C-N 3.25Å; I53-M55 HydrophobicContact CG2-CG 4.27Å; I53-M55 PolarHBondContact O-N 3.01Å; M55-T57 PolarHBondContact O-N 2.96Å
56	Q	28.5	Very low	36.4	Very low	125 Å²	125	125.3 Å²	125.3	58%	0.584	68%	0.683	S	S	*	*			trans	-69.5	110.7	173.9	-72.1	-175.3	-7.8	0	0	108.7	Q54 F58	Q54-Q56 PolarHBondContact O-N 3.26Å; Q56-F58 HydrophobicContact CB-CD2 4.48Å; Q56-F58 HydrophobicContact CB-CE1 4.01Å; Q56-F58 HydrophobicContact CB-CE2 3.9Å; Q56-F58 HydrophobicContact CB-CZ 3.63Å; Q56-F58 WeakPolarHBondContact O-CD2 3.47Å; Q56-F58 WeakPolarHBondContact O-CE2 3.48Å; Q56-F58 PolarHBondContact O-N 3.24Å; Q56-F58 VanDerWaalsContact OE1-CE1 3.26Å; Q56-F58 VanDerWaalsContact OE1-CZ 3.26Å
57	T	33.4	Very low	36.9	Very low	129 Å²	129	123.2 Å²	123.2	79%	0.791	67%	0.674	S	S	*	*			trans	-73.3	105.1	167.5	-41.3	0	0	0	0	107.8	M55	M55-T57 PolarHBondContact O-N 2.96Å
58	F	37.8	Very low	37.3	Very low	156 Å²	156	125.3 Å²	125.3	68%	0.684	68%	0.68	S	S	*	*			trans	-80.1	122.9	179.9	-62.8	-78.6	0	0	0	110.2	Q56 V60	Q56-F58 HydrophobicContact CB-CD2 4.48Å; Q56-F58 HydrophobicContact CB-CE1 4.01Å; Q56-F58 HydrophobicContact CB-CE2 3.9Å; Q56-F58 HydrophobicContact CB-CZ 3.63Å; Q56-F58 WeakPolarHBondContact O-CD2 3.47Å; Q56-F58 WeakPolarHBondContact O-CE2 3.48Å; Q56-F58 PolarHBondContact O-N 3.24Å; Q56-F58 VanDerWaalsContact OE1-CE1 3.26Å; Q56-F58 VanDerWaalsContact OE1-CZ 3.26Å; F58-V60 PolarHBondContact O-N 3.47Å
59	S	38	Very low	38.4	Very low	57 Å²	57	127.6 Å²	127.6	40%	0.399	69%	0.689	S	S	.	*			trans	-64.1	124.5	167.7	169.5	0	0	0	0	109.4	I61 K62	S59-I61 PolarHBondContact O-N 3.49Å; S59-I61 PolarHBondContact OG-N 3.38Å; S59-K62 PolarHBondContact O-N 3.41Å; S59-K62 VanDerWaalsContact O-N 3.14Å
60	V	41.6	Very low	39.9	Very low	72 Å²	72	124.9 Å²	124.9	44%	0.436	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-54.4	-24.2	179.1	179.5	0	0	0	0	112	F58 K62 K63 M70 V107	F58-V60 PolarHBondContact O-N 3.47Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 2.95Å; V60-K63 PolarHBondContact O-N 3.1Å; V60-M70 HydrophobicContact CG1-CE 4.28Å; V60-V107 HydrophobicContact CG1-CG2 4.29Å
61	I	43.2	Very low	41.9	Very low	108 Å²	108	126.3 Å²	126.3	55%	0.554	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-61.7	-34.8	-179.8	-55.3	171.7	0	0	0	112	S59 K63	S59-I61 PolarHBondContact O-N 3.49Å; S59-I61 PolarHBondContact OG-N 3.38Å; I61-K63 VanDerWaalsContact C-N 3.34Å; I61-K63 PolarHBondContact O-N 3.12Å
62	K	40.6	Very low	44	Very low	189 Å²	189	124.2 Å²	124.2	82%	0.822	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-76.5	-13.8	-174.5	-80.9	-176.9	176.9	176.8	0	115.2	S59 V60	S59-K62 PolarHBondContact O-N 3.41Å; S59-K62 VanDerWaalsContact O-N 3.14Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 2.95Å
63	K	42.9	Very low	46.3	Very low	144 Å²	144	117.7 Å²	117.7	63%	0.626	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-110.2	-7.4	-172.6	-145.3	174.9	-177.1	-170.1	0	113.8	V60 I61 D65 S66	V60-K63 PolarHBondContact O-N 3.1Å; I61-K63 VanDerWaalsContact C-N 3.34Å; I61-K63 PolarHBondContact O-N 3.12Å; K63-D65 PolarHBondContact O-N 3.36Å; K63-S66 VanDerWaalsContact CG-OG 3.31Å; K63-S66 WeakPolarHBondContact CG-OG 3.46Å; K63-S66 PolarHBondContact O-N 3.31Å; K63-S66 PolarHBondContact O-OG 3.43Å
64	R	41.1	Very low	48.7	Very low	147 Å²	147	111.4 Å²	111.4	56%	0.555	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-55.8	-32.5	176.3	-170.2	175.5	-177.4	152.8	4	112.3	S66 S106	R64-S66 PolarHBondContact O-N 2.81Å; R64-S66 VanDerWaalsContact O-N 3.14Å; R64-S106 PolarHBondContact NH1-OG 3.14Å
65	D	42.8	Very low	51.5	Low	161 Å²	161	105.2 Å²	105.2	86%	0.861	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-74.1	2	-179.9	-63.2	-18.7	0	0	0	114.3	K63	K63-D65 PolarHBondContact O-N 3.36Å
66	S	45.1	Very low	53.9	Low	82 Å²	82	97.7 Å²	97.7	57%	0.573	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-118.6	-12.6	-171.5	68.4	0	0	0	0	116.9	K63 R64	K63-S66 VanDerWaalsContact CG-OG 3.31Å; K63-S66 WeakPolarHBondContact CG-OG 3.46Å; K63-S66 PolarHBondContact O-N 3.31Å; K63-S66 PolarHBondContact O-OG 3.43Å; R64-S66 PolarHBondContact O-N 2.81Å; R64-S66 VanDerWaalsContact O-N 3.14Å
67	S	45.5	Very low	56.5	Low	64 Å²	64	94.2 Å²	94.2	45%	0.448	50%	0.496	S	S	.	.			trans	-160.7	132	173.7	71.8	0	0	0	0	113.1	N69	S67-N69 VanDerWaalsContact C-N 3.33Å; S67-N69 PolarHBondContact O-N 2.94Å
68	D	43.7	Very low	58.6	Low	169 Å²	169	89.3 Å²	89.3	90%	0.904	47%	0.471	S	S	*	.	S	Bend	trans	-76.3	-12.6	178.4	-74.6	-29.4	0	0	0	114.4
69	N	57.6	Low	60.6	Low	131 Å²	131	86 Å²	86	70%	0.701	46%	0.464	S	S	*	.			trans	-109.4	58.6	-176.1	-71.5	-10.9	0	0	0	113.1	S67	S67-N69 VanDerWaalsContact C-N 3.33Å; S67-N69 PolarHBondContact O-N 2.94Å
70	M	65.1	Low	62.6	Low	81 Å²	81	84.8 Å²	84.8	40%	0.399	45%	0.453	S	S	.	.			trans	-103.3	115.9	177.8	-169.8	171.3	-177.1	0	0	111.6	V60 V107 P108	V60-M70 HydrophobicContact CG1-CE 4.28Å; M70-V107 WeakPolarHBondContact O-CG1 3.5Å; M70-P108 WeakPolarHBondContact O-CG 3.44Å
71	E	74	Confident	64.2	Low	111 Å²	111	86.7 Å²	86.7	52%	0.519	46%	0.46	S	S	.	.			trans	-100.2	148.7	171.6	-62.3	-172.8	174	0	0	111.2	T96	E71-T96 HydrophobicContact CG-CG2 4.33Å
72	A	79.1	Confident	65.6	Low	18 Å²	18	86.2 Å²	86.2	15%	0.149	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.2	176.4	0	0	0	0	0	112.4	L103 V107 P108 I109 R110	A72-L103 HydrophobicContact CB-CD1 3.85Å; A72-V107 HydrophobicContact CB-CB 4.16Å; A72-V107 HydrophobicContact CB-CG1 3.65Å; A72-P108 PolarHBondContact N-O 3.03Å; A72-I109 HydrophobicContact CB-CG1 4.26Å; A72-I109 VanDerWaalsContact O-CA 3.3Å; A72-I109 WeakPolarHBondContact O-CA 3.22Å; A72-R110 PolarHBondContact O-N 3.15Å
73	S	81.4	Confident	67.3	Low	45 Å²	45	77.6 Å²	77.6	32%	0.315	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.1	172	-64	0	0	0	0	109.6	F111	S73-F111 WeakPolarHBondContact CA-O 3.48Å
74	I	83.3	Confident	68.8	Low	9 Å²	9	77.8 Å²	77.8	5%	0.046	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.2	179.4	-68.1	174	0	0	0	109.5	L76 V102 I109 F111 V112 F113	I74-L76 HydrophobicContact CG2-CD1 4.45Å; I74-L76 HydrophobicContact CG2-CD2 3.3Å; I74-L76 HydrophobicContact CG2-CG 3.74Å; I74-V102 HydrophobicContact CD1-CB 4.17Å; I74-V102 HydrophobicContact CD1-CG1 3.66Å; I74-V102 HydrophobicContact CG1-CG1 4.35Å; I74-I109 HydrophobicContact CD1-CD1 3.46Å; I74-I109 VanDerWaalsContact CD1-CD1 3.46Å; I74-I109 HydrophobicContact CD1-CG1 3.95Å; I74-I109 HydrophobicContact CD1-CG2 3.93Å; I74-I109 HydrophobicContact CG1-CD1 4.23Å; I74-I109 HydrophobicContact CG1-CG1 4.23Å; I74-I109 HydrophobicContact CG1-CG2 4.07Å; I74-F111 PolarHBondContact N-O 2.9Å; I74-V112 HydrophobicContact CB-CG1 4.44Å; I74-V112 HydrophobicContact CB-CG2 4.41Å; I74-V112 HydrophobicContact CG2-CG1 4.35Å; I74-V112 WeakPolarHBondContact O-CA 3.26Å; I74-F113 PolarHBondContact O-N 3.03Å
75	V	84.5	Confident	70.6	Confident	44 Å²	44	78.3 Å²	78.3	27%	0.267	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.4	174	178.5	0	0	0	0	108.8	T77 F113 L136	V75-T77 HydrophobicContact CG1-CG2 4.25Å; V75-F113 HydrophobicContact CG1-CD1 3.9Å; V75-L136 HydrophobicContact CG2-CD1 3.95Å
76	L	82.2	Confident	72.6	Confident	10 Å²	10	73.2 Å²	73.2	5%	0.052	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.6	-178	-52.3	-170.8	0	0	0	109.7	L35 I74 V112 F113 M114 M115	L35-L76 HydrophobicContact CD2-CD1 4.29Å; I74-L76 HydrophobicContact CG2-CD1 4.45Å; I74-L76 HydrophobicContact CG2-CD2 3.3Å; I74-L76 HydrophobicContact CG2-CG 3.74Å; L76-V112 HydrophobicContact CD1-CG1 4.37Å; L76-F113 WeakPolarHBondContact CB-O 3.4Å; L76-F113 PolarHBondContact N-O 3.01Å; L76-M114 HydrophobicContact CB-CB 4.3Å; L76-M114 HydrophobicContact CB-CG 4.29Å; L76-M114 CarbonylContact O-C 3.53Å; L76-M114 VanDerWaalsContact O-CA 3.31Å; L76-M114 WeakPolarHBondContact O-CA 3.36Å; L76-M115 PolarHBondContact O-N 3.31Å
77	T	82.9	Confident	74.5	Confident	51 Å²	51	69.6 Å²	69.6	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.6	175.5	57.7	0	0	0	0	110.9	V75 M115 Y125	V75-T77 HydrophobicContact CG1-CG2 4.25Å; T77-M115 VanDerWaalsContact CA-O 3.28Å; T77-M115 WeakPolarHBondContact CA-O 3.31Å; T77-M115 HydrophobicContact CG2-CB 4.45Å; T77-Y125 WeakPolarHBondContact CG2-O 3.3Å
78	G	78.3	Confident	76.4	Confident	27 Å²	27	70.2 Å²	70.2	28%	0.278	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	164	-179.8	0	0	0	0	0	114.1	M115 V116 G117	G78-M115 PolarHBondContact N-O 3.39Å; G78-M115 VanDerWaalsContact N-O 3.07Å; G78-V116 WeakPolarHBondContact O-CA 3.45Å; G78-G117 PolarHBondContact O-N 2.84Å
79	V	78.9	Confident	78.4	Confident	86 Å²	86	62.8 Å²	62.8	52%	0.521	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130	175.4	-177.3	0	0	0	0	108.7	G117 Y125	V79-G117 CarbonylContact C-O 3.52Å; V79-G117 VanDerWaalsContact CA-O 3.32Å; V79-G117 WeakPolarHBondContact CA-O 3.33Å; V79-Y125 HydrophobicContact CG2-CD2 3.82Å; V79-Y125 HydrophobicContact CG2-CE2 4.29Å
80	L	80.6	Confident	79.8	Confident	32 Å²	32	59.1 Å²	59.1	17%	0.168	32%	0.322	C	S	.	.			trans	-139.4	103.1	177.4	-170.4	67.5	0	0	0	109.3	L31 L82 L83 V116 G117	L31-L80 HydrophobicContact CD1-CD2 3.97Å; L80-L82 HydrophobicContact CD1-CD1 4.19Å; L80-L82 HydrophobicContact CG-CB 4.32Å; L80-L82 HydrophobicContact CG-CD1 4.47Å; L80-L82 PolarHBondContact O-N 2.8Å; L80-L83 HydrophobicContact CB-CD1 4.19Å; L80-L83 HydrophobicContact CB-CG 4.49Å; L80-L83 HydrophobicContact CD2-CD1 4.15Å; L80-L83 HydrophobicContact CD2-CG 4.14Å; L80-L83 PolarHBondContact O-N 2.91Å; L80-L83 VanDerWaalsContact O-N 3.14Å; L80-V116 HydrophobicContact CB-CG1 3.59Å; L80-V116 HydrophobicContact CD2-CG1 4.48Å; L80-G117 PolarHBondContact N-O 2.68Å
81	D	75.7	Confident	80.8	Confident	112 Å²	112	55.9 Å²	55.9	60%	0.599	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.3	-174	-64.2	-31.2	0	0	0	114.7	L83 S119	D81-L83 VanDerWaalsContact C-N 3.34Å; D81-S119 WeakPolarHBondContact OD1-CB 3.41Å; D81-S119 PolarHBondContact OD1-N 2.8Å; D81-S119 VanDerWaalsContact OD1-N 3.15Å; D81-S119 PolarHBondContact OD1-OG 2.96Å
82	L	73.1	Confident	81.4	Confident	97 Å²	97	55 Å²	55	51%	0.508	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.7	178	-65.7	158.7	0	0	0	112.6	L80	L80-L82 HydrophobicContact CD1-CD1 4.19Å; L80-L82 HydrophobicContact CG-CB 4.32Å; L80-L82 HydrophobicContact CG-CD1 4.47Å; L80-L82 PolarHBondContact O-N 2.8Å
83	L	76.4	Confident	81.5	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.047	29%	0.291	C	S	.	.			trans	-82.4	135.2	179.8	-68	171.5	0	0	0	110.5	I23 L31 L80 D81 V87 V116 P118	I23-L83 HydrophobicContact CD1-CD2 4.36Å; I23-L83 HydrophobicContact CG1-CD2 4.37Å; I23-L83 HydrophobicContact CG2-CD2 4.3Å; L31-L83 HydrophobicContact CD1-CD1 4.08Å; L80-L83 HydrophobicContact CB-CD1 4.19Å; L80-L83 HydrophobicContact CB-CG 4.49Å; L80-L83 HydrophobicContact CD2-CD1 4.15Å; L80-L83 HydrophobicContact CD2-CG 4.14Å; L80-L83 PolarHBondContact O-N 2.91Å; L80-L83 VanDerWaalsContact O-N 3.14Å; D81-L83 VanDerWaalsContact C-N 3.34Å; L83-V87 HydrophobicContact CD1-CG2 4.49Å; L83-V116 HydrophobicContact CD1-CB 4.21Å; L83-V116 HydrophobicContact CD1-CG1 3.85Å; L83-P118 WeakPolarHBondContact O-CB 3.29Å; L83-P118 VanDerWaalsContact O-CG 3.27Å; L83-P118 WeakPolarHBondContact O-CG 3.28Å
84	Q	73	Confident	81.1	Confident	148 Å²	148	54.4 Å²	54.4	69%	0.692	29%	0.293	S	S	*	.	S	Bend	trans	-80.6	-22.6	176.1	-72.2	-176.8	-19.6	0	0	113.3
85	K	80.4	Confident	80.6	Confident	158 Å²	158	59 Å²	59	69%	0.687	32%	0.318	S	S	*	.	S	Bend	trans	-140.3	151.9	-178.2	-66.9	-176.7	-178.1	178.6	0	109.9
86	P	83.6	Confident	80	Confident	54 Å²	54	59.8 Å²	59.8	35%	0.351	32%	0.323	S	S	.	.			trans	-66.4	137.6	172.4	28.7	-34.5	0	0	0	110.7	L123 Y125	P86-L123 HydrophobicContact CG-CD1 4.14Å; P86-Y125 HydrophobicContact CB-CE1 4.02Å
87	V	84.3	Confident	79.7	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.03	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.7	-179.9	-176	0	0	0	0	109.3	L17 I23 L83 M115 V116	L17-V87 HydrophobicContact CD1-CG1 3.72Å; L17-V87 HydrophobicContact CD2-CG1 3.52Å; L17-V87 HydrophobicContact CG-CG1 4.2Å; I23-V87 HydrophobicContact CD1-CG1 4.17Å; I23-V87 HydrophobicContact CD1-CG2 4.06Å; I23-V87 HydrophobicContact CG1-CG1 4.46Å; I23-V87 HydrophobicContact CG1-CG2 3.89Å; L83-V87 HydrophobicContact CD1-CG2 4.49Å; V87-M115 WeakPolarHBondContact O-CA 3.46Å; V87-V116 PolarHBondContact N-O 3.29Å; V87-V116 PolarHBondContact O-N 3.06Å
88	V	86.3	Confident	79.2	Confident	77 Å²	77	61.6 Å²	61.6	47%	0.467	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.7	179	179.2	0	0	0	0	109.2	F113 M114 M115	V88-F113 HydrophobicContact CG1-CD2 4.47Å; V88-F113 HydrophobicContact CG1-CE2 3.62Å; V88-F113 HydrophobicContact CG1-CZ 4.11Å; V88-M114 CarbonylContact C-O 3.17Å; V88-M114 VanDerWaalsContact CA-O 3.31Å; V88-M114 WeakPolarHBondContact CA-O 3.34Å; V88-M115 HydrophobicContact CG2-CB 4.4Å; V88-M115 HydrophobicContact CG2-CE 4.2Å; V88-M115 HydrophobicContact CG2-CG 3.91Å; V88-M115 HydrophobicContact CG2-SD 4.24Å
89	A	85.9	Confident	78.9	Confident	14 Å²	14	60.7 Å²	60.7	12%	0.116	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.4	169	0	0	0	0	0	110.3	I13 F113 M114	I13-A89 HydrophobicContact CG2-CB 3.82Å; A89-F113 CarbonylContact O-C 3.6Å; A89-M114 HydrophobicContact CB-CB 4.33Å; A89-M114 HydrophobicContact CB-CE 3.91Å; A89-M114 PolarHBondContact N-O 2.8Å; A89-M114 PolarHBondContact O-N 2.82Å
90	F	87.1	Confident	77.8	Confident	54 Å²	54	65.3 Å²	65.3	24%	0.237	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.9	171.6	-174.6	-93.8	0	0	0	108.9	F111 F113 M132 L136 A145 L154	F90-F111 AromaticContact CE1-CD1 3.92Å; F90-F111 HydrophobicContact CE1-CD1 3.92Å; F90-F111 HydrophobicContact CE1-CE1 4.32Å; F90-F111 HydrophobicContact CZ-CB 4.37Å; F90-F111 AromaticContact CZ-CD1 3.59Å; F90-F111 HydrophobicContact CZ-CD1 3.59Å; F90-F111 HydrophobicContact CZ-CE1 4.16Å; F90-F111 HydrophobicContact CZ-CG 4.19Å; F90-F113 HydrophobicContact CD2-CB 4.29Å; F90-F113 HydrophobicContact CD2-CD2 4.04Å; F90-M132 HydrophobicContact CD2-CE 3.64Å; F90-M132 HydrophobicContact CE2-CE 3.5Å; F90-M132 VanDerWaalsContact CE2-CE 3.5Å; F90-L136 HydrophobicContact CE2-CD2 4.11Å; F90-L136 HydrophobicContact CZ-CD2 4.38Å; F90-A145 HydrophobicContact CZ-CB 4.28Å; F90-L154 HydrophobicContact CB-CD2 4.33Å; F90-L154 HydrophobicContact CD1-CD2 3.58Å; F90-L154 HydrophobicContact CE1-CD1 4.12Å; F90-L154 HydrophobicContact CE1-CD2 4.04Å; F90-L154 HydrophobicContact CG-CD2 3.99Å; F90-L154 HydrophobicContact CZ-CD1 4.48Å
91	V	86.5	Confident	76.7	Confident	12 Å²	12	68.6 Å²	68.6	7%	0.073	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.4	-174.4	-178.2	0	0	0	0	110.5	M1 V9 I13 F111 V112	M1-V91 HydrophobicContact SD-CG1 4.37Å; V9-V91 HydrophobicContact CG1-CG1 4.39Å; I13-V91 HydrophobicContact CD1-CG2 3.62Å; I13-V91 HydrophobicContact CG1-CG2 3.61Å; V91-F111 WeakPolarHBondContact O-CA 3.42Å; V91-V112 HydrophobicContact CB-CB 4.29Å; V91-V112 PolarHBondContact N-O 3.06Å; V91-V112 PolarHBondContact O-N 3.12Å
92	R	85.7	Confident	76	Confident	92 Å²	92	65 Å²	65	35%	0.347	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.8	170.5	-176.6	-174.9	65.1	-169.9	-14.4	110.5	M1 F111 H146 A148	M1-R92 PolarHBondContact N-O 2.71Å; R92-F111 HydrophobicContact CB-CD1 4.28Å; R92-F111 HydrophobicContact CB-CE1 4.26Å; R92-F111 HydrophobicContact CG-CD1 4.26Å; R92-F111 HydrophobicContact CG-CE1 3.86Å; R92-H146 PolarHBondContact NH1-O 3.22Å; R92-A148 VanDerWaalsContact CZ-O 3.29Å; R92-A148 PolarHBondContact NH1-O 3.03Å; R92-A148 PolarHBondContact NH2-O 3.46Å
93	L	81.9	Confident	75.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.5	172.3	-60.5	174.2	0	0	0	110.1	V9 D95 M99 I109 R110	V9-L93 HydrophobicContact CG2-CD2 4.12Å; L93-D95 WeakPolarHBondContact CB-O 3.3Å; L93-M99 HydrophobicContact CD1-CE 3.78Å; L93-I109 HydrophobicContact CD1-CG2 4.33Å; L93-I109 WeakPolarHBondContact CD1-O 3.35Å; L93-R110 WeakPolarHBondContact CB-O 3.48Å; L93-R110 PolarHBondContact N-O 3.46Å
94	S	72.7	Confident	74.5	Confident	50 Å²	50	70 Å²	70	35%	0.35	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-45.9	179.7	10.1	0	0	0	0	110.7	M1 N2 R110	M1-S94 PolarHBondContact N-OG 2.88Å; M1-S94 PolarHBondContact O-OG 3.18Å; M1-S94 VanDerWaalsContact O-OG 3.04Å; N2-S94 PolarHBondContact OD1-OG 2.99Å; S94-R110 PolarHBondContact O-NH1 2.98Å
95	D	71.9	Confident	73.8	Confident	107 Å²	107	64 Å²	64	57%	0.572	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.7	172.8	-61.5	-43.9	0	0	0	109.2	L93 V97	L93-D95 WeakPolarHBondContact CB-O 3.3Å; D95-V97 PolarHBondContact O-N 3.47Å
96	T	73.1	Confident	72.9	Confident	59 Å²	59	59.6 Å²	59.6	36%	0.362	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.7	171.6	48	0	0	0	0	110.1	E71 P108 I109 R110	E71-T96 HydrophobicContact CG-CG2 4.33Å; T96-P108 HydrophobicContact CG2-CB 4.31Å; T96-I109 WeakPolarHBondContact CA-O 3.46Å; T96-R110 HydrophobicContact CG2-CB 4.32Å
97	V	75.1	Confident	72.3	Confident	34 Å²	34	57.8 Å²	57.8	21%	0.206	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.2	-177	-179.5	0	0	0	0	110.1	D95 M99 I109	D95-V97 PolarHBondContact O-N 3.47Å; V97-M99 HydrophobicContact CG1-CG 4.45Å; V97-M99 PolarHBondContact O-N 2.97Å; V97-I109 PolarHBondContact N-O 3.37Å; V97-I109 PolarHBondContact O-N 3.43Å
98	V	73.3	Confident	72	Confident	65 Å²	65	59.3 Å²	59.3	39%	0.394	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	115.6	171.7	-179	0	0	0	0	108.6	P108	V98-P108 HydrophobicContact CG2-CB 4.47Å
99	M	71.3	Confident	71.7	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.044	31%	0.308	C	S	.	.			trans	-103.1	102.2	177.5	-57.7	-176.2	-175.3	0	0	110	L6 V9 L93 V97 S101 V102 I109	L6-M99 HydrophobicContact CB-SD 4Å; L6-M99 HydrophobicContact CD1-SD 4.29Å; V9-M99 HydrophobicContact CG2-CE 4.12Å; L93-M99 HydrophobicContact CD1-CE 3.78Å; V97-M99 HydrophobicContact CG1-CG 4.45Å; V97-M99 PolarHBondContact O-N 2.97Å; M99-S101 PolarHBondContact O-N 3.18Å; M99-V102 HydrophobicContact CB-CG2 4.17Å; M99-V102 PolarHBondContact O-N 3.39Å; M99-I109 HydrophobicContact CB-CD1 3.63Å; M99-I109 HydrophobicContact CG-CD1 3.69Å; M99-I109 HydrophobicContact SD-CD1 3.95Å
100	E	56.8	Low	71.5	Confident	182 Å²	182	56.8 Å²	56.8	85%	0.85	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-3.1	-172	-64.8	-175.6	162.4	0	0	115.3
101	S	57.4	Low	71.5	Confident	101 Å²	101	54.5 Å²	54.5	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-0.7	-174.4	65.2	0	0	0	0	115.4	M99	M99-S101 PolarHBondContact O-N 3.18Å
102	V	59.4	Low	71.5	Confident	36 Å²	36	54 Å²	54	22%	0.218	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-33.6	-168.9	-167.1	0	0	0	0	113.9	L6 I74 M99	L6-V102 HydrophobicContact CB-CG2 4.07Å; L6-V102 HydrophobicContact CD1-CG2 4.48Å; L6-V102 HydrophobicContact CD2-CG2 3.6Å; L6-V102 HydrophobicContact CG-CG2 4.24Å; I74-V102 HydrophobicContact CD1-CB 4.17Å; I74-V102 HydrophobicContact CD1-CG1 3.66Å; I74-V102 HydrophobicContact CG1-CG1 4.35Å; M99-V102 HydrophobicContact CB-CG2 4.17Å; M99-V102 PolarHBondContact O-N 3.39Å
103	L	61	Low	71.6	Confident	66 Å²	66	50.4 Å²	50.4	35%	0.346	28%	0.283	S	S	.	.	S	Bend	trans	-115.7	147.7	-178.8	-65	170.3	0	0	0	109.8	A72 S105 V107 I109	A72-L103 HydrophobicContact CB-CD1 3.85Å; L103-S105 WeakPolarHBondContact CB-O 3.41Å; L103-S105 PolarHBondContact O-N 3.46Å; L103-V107 HydrophobicContact CD1-CB 4.33Å; L103-I109 HydrophobicContact CD1-CD1 3.99Å; L103-I109 HydrophobicContact CD1-CG1 3.88Å
104	E	57.9	Low	71.8	Confident	146 Å²	146	50.4 Å²	50.4	68%	0.682	28%	0.283	S	S	*	.	S	Bend	trans	-65.4	-16.7	176.2	-63.1	-175.4	146	0	0	113.1	Q41	Q41-E104 PolarHBondContact OE1-OE1 3.49Å
105	S	59.3	Low	72.4	Confident	23 Å²	23	48.7 Å²	48.7	16%	0.161	27%	0.269	C	S	.	.	S	Bend	trans	-129.6	147.2	179.8	179.8	0	0	0	0	110.4	L103 V107	L103-S105 WeakPolarHBondContact CB-O 3.41Å; L103-S105 PolarHBondContact O-N 3.46Å; S105-V107 VanDerWaalsContact C-N 3.27Å; S105-V107 PolarHBondContact O-N 2.97Å
106	S	59.9	Low	73	Confident	64 Å²	64	44.1 Å²	44.1	45%	0.448	25%	0.245	S	C	.	.			trans	-71.9	73.2	177.8	46.4	0	0	0	0	112.3	R64	R64-S106 PolarHBondContact NH1-OG 3.14Å
107	V	71.8	Confident	73.6	Confident	16 Å²	16	41.3 Å²	41.3	10%	0.097	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-103.4	135.1	177.8	-172.3	0	0	0	0	110	V60 M70 A72 L103 S105 I109	V60-V107 HydrophobicContact CG1-CG2 4.29Å; M70-V107 WeakPolarHBondContact O-CG1 3.5Å; A72-V107 HydrophobicContact CB-CB 4.16Å; A72-V107 HydrophobicContact CB-CG1 3.65Å; L103-V107 HydrophobicContact CD1-CB 4.33Å; S105-V107 VanDerWaalsContact C-N 3.27Å; S105-V107 PolarHBondContact O-N 2.97Å; V107-I109 PolarHBondContact O-N 3.24Å
108	P	78.1	Confident	74	Confident	38 Å²	38	40 Å²	40	25%	0.247	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.6	174.7	19.1	-28.2	0	0	0	111.8	M70 A72 T96 V98	M70-P108 WeakPolarHBondContact O-CG 3.44Å; A72-P108 PolarHBondContact N-O 3.03Å; T96-P108 HydrophobicContact CG2-CB 4.31Å; V98-P108 HydrophobicContact CG2-CB 4.47Å
109	I	79.9	Confident	74.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.6	177.8	-64.6	145.9	0	0	0	110.3	A72 I74 L93 T96 V97 M99 L103 V107 V112	A72-I109 HydrophobicContact CB-CG1 4.26Å; A72-I109 VanDerWaalsContact O-CA 3.3Å; A72-I109 WeakPolarHBondContact O-CA 3.22Å; I74-I109 HydrophobicContact CD1-CD1 3.46Å; I74-I109 VanDerWaalsContact CD1-CD1 3.46Å; I74-I109 HydrophobicContact CD1-CG1 3.95Å; I74-I109 HydrophobicContact CD1-CG2 3.93Å; I74-I109 HydrophobicContact CG1-CD1 4.23Å; I74-I109 HydrophobicContact CG1-CG1 4.23Å; I74-I109 HydrophobicContact CG1-CG2 4.07Å; L93-I109 HydrophobicContact CD1-CG2 4.33Å; L93-I109 WeakPolarHBondContact CD1-O 3.35Å; T96-I109 WeakPolarHBondContact CA-O 3.46Å; V97-I109 PolarHBondContact N-O 3.37Å; V97-I109 PolarHBondContact O-N 3.43Å; M99-I109 HydrophobicContact CB-CD1 3.63Å; M99-I109 HydrophobicContact CG-CD1 3.69Å; M99-I109 HydrophobicContact SD-CD1 3.95Å; L103-I109 HydrophobicContact CD1-CD1 3.99Å; L103-I109 HydrophobicContact CD1-CG1 3.88Å; V107-I109 PolarHBondContact O-N 3.24Å; I109-V112 HydrophobicContact CG2-CG2 4.17Å
110	R	81.9	Confident	73.9	Confident	38 Å²	38	45.3 Å²	45.3	14%	0.143	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-44.6	-179.9	-171.2	62.5	144.5	-176.7	-6	113.5	A72 L93 S94 T96 H146	A72-R110 PolarHBondContact O-N 3.15Å; L93-R110 WeakPolarHBondContact CB-O 3.48Å; L93-R110 PolarHBondContact N-O 3.46Å; S94-R110 PolarHBondContact O-NH1 2.98Å; T96-R110 HydrophobicContact CG2-CB 4.32Å; R110-H146 PolarHBondContact NH2-CE1 3.24Å; R110-H146 PolarHBondContact NH2-ND1 3.37Å
111	F	86.3	Confident	74.3	Confident	6 Å²	6	38 Å²	38	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.6	-177.2	-58.8	-77.2	0	0	0	111.7	S73 I74 F90 V91 R92 L136 S142 A145 H146	S73-F111 WeakPolarHBondContact CA-O 3.48Å; I74-F111 PolarHBondContact N-O 2.9Å; F90-F111 AromaticContact CE1-CD1 3.92Å; F90-F111 HydrophobicContact CE1-CD1 3.92Å; F90-F111 HydrophobicContact CE1-CE1 4.32Å; F90-F111 HydrophobicContact CZ-CB 4.37Å; F90-F111 AromaticContact CZ-CD1 3.59Å; F90-F111 HydrophobicContact CZ-CD1 3.59Å; F90-F111 HydrophobicContact CZ-CE1 4.16Å; F90-F111 HydrophobicContact CZ-CG 4.19Å; V91-F111 WeakPolarHBondContact O-CA 3.42Å; R92-F111 HydrophobicContact CB-CD1 4.28Å; R92-F111 HydrophobicContact CB-CE1 4.26Å; R92-F111 HydrophobicContact CG-CD1 4.26Å; R92-F111 HydrophobicContact CG-CE1 3.86Å; F111-L136 HydrophobicContact CB-CD2 4.39Å; F111-L136 HydrophobicContact CD2-CD2 4.46Å; F111-L136 HydrophobicContact CG-CD2 4.45Å; F111-S142 WeakPolarHBondContact CZ-O 3.39Å; F111-A145 HydrophobicContact CE1-CB 4.14Å; F111-A145 HydrophobicContact CZ-CB 4.24Å; F111-H146 HydrophobicContact CZ-CB 4.14Å
112	V	85.8	Confident	75	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.5	172.8	-176.4	0	0	0	0	108.7	I74 L76 V91 I109	I74-V112 HydrophobicContact CB-CG1 4.44Å; I74-V112 HydrophobicContact CB-CG2 4.41Å; I74-V112 HydrophobicContact CG2-CG1 4.35Å; I74-V112 WeakPolarHBondContact O-CA 3.26Å; L76-V112 HydrophobicContact CD1-CG1 4.37Å; V91-V112 HydrophobicContact CB-CB 4.29Å; V91-V112 PolarHBondContact N-O 3.06Å; V91-V112 PolarHBondContact O-N 3.12Å; I109-V112 HydrophobicContact CG2-CG2 4.17Å
113	F	87.8	Confident	75.8	Confident	16 Å²	16	43.5 Å²	43.5	7%	0.07	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.2	172.4	175.8	-97.8	0	0	0	110	I74 V75 L76 V88 A89 F90 M115 M132	I74-F113 PolarHBondContact O-N 3.03Å; V75-F113 HydrophobicContact CG1-CD1 3.9Å; L76-F113 WeakPolarHBondContact CB-O 3.4Å; L76-F113 PolarHBondContact N-O 3.01Å; V88-F113 HydrophobicContact CG1-CD2 4.47Å; V88-F113 HydrophobicContact CG1-CE2 3.62Å; V88-F113 HydrophobicContact CG1-CZ 4.11Å; A89-F113 CarbonylContact O-C 3.6Å; F90-F113 HydrophobicContact CD2-CB 4.29Å; F90-F113 HydrophobicContact CD2-CD2 4.04Å; F113-M115 HydrophobicContact CE1-CB 3.87Å; F113-M115 HydrophobicContact CZ-CB 4.04Å; F113-M132 HydrophobicContact CB-CE 4.46Å; F113-M132 HydrophobicContact CB-CG 4.27Å; F113-M132 HydrophobicContact CD1-CB 4.24Å; F113-M132 HydrophobicContact CD1-CG 3.74Å; F113-M132 HydrophobicContact CD2-CE 3.83Å; F113-M132 HydrophobicContact CD2-CG 3.98Å; F113-M132 HydrophobicContact CD2-SD 4.22Å; F113-M132 HydrophobicContact CE1-CB 4.11Å; F113-M132 HydrophobicContact CE1-CG 3.94Å; F113-M132 HydrophobicContact CE2-CE 4.29Å; F113-M132 HydrophobicContact CE2-CG 4.17Å; F113-M132 HydrophobicContact CE2-SD 4.2Å; F113-M132 HydrophobicContact CG-CE 4.23Å; F113-M132 HydrophobicContact CG-CG 3.72Å; F113-M132 HydrophobicContact CZ-CB 4.47Å; F113-M132 HydrophobicContact CZ-CG 4.13Å
114	M	86.9	Confident	76.8	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.8	179	-177.3	-171.6	83.6	0	0	110.6	I13 L17 L35 L76 V88 A89 V116	I13-M114 HydrophobicContact CG2-CE 3.63Å; I13-M114 HydrophobicContact CG2-SD 4.07Å; L17-M114 HydrophobicContact CD1-CE 3.65Å; L35-M114 HydrophobicContact CD1-SD 3.54Å; L35-M114 VanDerWaalsContact CD1-SD 3.54Å; L35-M114 HydrophobicContact CD2-CG 3.97Å; L35-M114 HydrophobicContact CD2-SD 3.41Å; L35-M114 WeakPolarHBondContact CD2-SD 3.48Å; L35-M114 HydrophobicContact CG-SD 4.09Å; L76-M114 HydrophobicContact CB-CB 4.3Å; L76-M114 HydrophobicContact CB-CG 4.29Å; L76-M114 CarbonylContact O-C 3.53Å; L76-M114 VanDerWaalsContact O-CA 3.31Å; L76-M114 WeakPolarHBondContact O-CA 3.36Å; V88-M114 CarbonylContact C-O 3.17Å; V88-M114 VanDerWaalsContact CA-O 3.31Å; V88-M114 WeakPolarHBondContact CA-O 3.34Å; A89-M114 HydrophobicContact CB-CB 4.33Å; A89-M114 HydrophobicContact CB-CE 3.91Å; A89-M114 PolarHBondContact N-O 2.8Å; A89-M114 PolarHBondContact O-N 2.82Å; M114-V116 HydrophobicContact CG-CG2 4.15Å
115	M	85.6	Confident	78	Confident	13 Å²	13	39.4 Å²	39.4	6%	0.064	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	118.6	171.8	-174.7	174.4	-169.2	0	0	110.5	L76 T77 G78 V87 V88 F113 Y125 I128	L76-M115 PolarHBondContact O-N 3.31Å; T77-M115 VanDerWaalsContact CA-O 3.28Å; T77-M115 WeakPolarHBondContact CA-O 3.31Å; T77-M115 HydrophobicContact CG2-CB 4.45Å; G78-M115 PolarHBondContact N-O 3.39Å; G78-M115 VanDerWaalsContact N-O 3.07Å; V87-M115 WeakPolarHBondContact O-CA 3.46Å; V88-M115 HydrophobicContact CG2-CB 4.4Å; V88-M115 HydrophobicContact CG2-CE 4.2Å; V88-M115 HydrophobicContact CG2-CG 3.91Å; V88-M115 HydrophobicContact CG2-SD 4.24Å; F113-M115 HydrophobicContact CE1-CB 3.87Å; F113-M115 HydrophobicContact CZ-CB 4.04Å; M115-Y125 HydrophobicContact CE-CD1 3.96Å; M115-Y125 HydrophobicContact CE-CE1 3.98Å; M115-Y125 HydrophobicContact CG-CD1 3.96Å; M115-Y125 HydrophobicContact CG-CE1 4.35Å; M115-Y125 HydrophobicContact SD-CD1 4.14Å; M115-I128 HydrophobicContact CE-CD1 3.62Å; M115-I128 HydrophobicContact CE-CG2 4.46Å; M115-I128 HydrophobicContact SD-CB 4.04Å; M115-I128 HydrophobicContact SD-CD1 3.91Å; M115-I128 HydrophobicContact SD-CG2 3.52Å; M115-I128 VanDerWaalsContact SD-CG2 3.52Å
116	V	84.9	Confident	79	Confident	12 Å²	12	42.8 Å²	42.8	7%	0.073	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.8	-180	-172.2	0	0	0	0	109.8	L31 G78 L80 L83 V87 M114	L31-V116 HydrophobicContact CD1-CB 4.46Å; L31-V116 HydrophobicContact CD1-CG1 4.39Å; G78-V116 WeakPolarHBondContact O-CA 3.45Å; L80-V116 HydrophobicContact CB-CG1 3.59Å; L80-V116 HydrophobicContact CD2-CG1 4.48Å; L83-V116 HydrophobicContact CD1-CB 4.21Å; L83-V116 HydrophobicContact CD1-CG1 3.85Å; V87-V116 PolarHBondContact N-O 3.29Å; V87-V116 PolarHBondContact O-N 3.06Å; M114-V116 HydrophobicContact CG-CG2 4.15Å
117	G	84.9	Confident	79.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	178.2	177	0	0	0	0	0	114	G78 V79 L80 Y125	G78-G117 PolarHBondContact O-N 2.84Å; V79-G117 CarbonylContact C-O 3.52Å; V79-G117 VanDerWaalsContact CA-O 3.32Å; V79-G117 WeakPolarHBondContact CA-O 3.33Å; L80-G117 PolarHBondContact N-O 2.68Å; G117-Y125 VanDerWaalsContact CA-OH 3.28Å; G117-Y125 WeakPolarHBondContact CA-OH 3.28Å
118	P	83.8	Confident	80.5	Confident	7 Å²	7	46.7 Å²	46.7	5%	0.045	26%	0.264	C	S	.	.			trans	-70.1	155.7	-177.4	25.9	-32	0	0	0	113.2	L83 S120 S121 Y125	L83-P118 WeakPolarHBondContact O-CB 3.29Å; L83-P118 VanDerWaalsContact O-CG 3.27Å; L83-P118 WeakPolarHBondContact O-CG 3.28Å; P118-S120 PolarHBondContact O-N 3.26Å; P118-S121 PolarHBondContact O-OG 3.01Å; P118-S121 VanDerWaalsContact O-OG 3.05Å; P118-Y125 PolarHBondContact O-OH 3.4Å
119	S	75.3	Confident	80.6	Confident	81 Å²	81	45.2 Å²	45.2	57%	0.566	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.6	173.1	54.4	0	0	0	0	114.3	D81 S121	D81-S119 WeakPolarHBondContact OD1-CB 3.41Å; D81-S119 PolarHBondContact OD1-N 2.8Å; D81-S119 VanDerWaalsContact OD1-N 3.15Å; D81-S119 PolarHBondContact OD1-OG 2.96Å; S119-S121 VanDerWaalsContact C-N 3.29Å; S119-S121 PolarHBondContact O-N 3.19Å
120	S	66.4	Low	80.7	Confident	104 Å²	104	52 Å²	52	73%	0.727	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.2	-178.1	58.2	0	0	0	0	114.9	P118	P118-S120 PolarHBondContact O-N 3.26Å
121	S	66.8	Low	80.7	Confident	29 Å²	29	53.1 Å²	53.1	20%	0.203	30%	0.299	C	S	.	.	S	Bend	trans	-82.4	140.3	174.5	61.1	0	0	0	0	111.3	P118 S119 L123 Y125	P118-S121 PolarHBondContact O-OG 3.01Å; P118-S121 VanDerWaalsContact O-OG 3.05Å; S119-S121 VanDerWaalsContact C-N 3.29Å; S119-S121 PolarHBondContact O-N 3.19Å; S121-L123 PolarHBondContact O-N 3.29Å; S121-Y125 WeakPolarHBondContact OG-CE2 3.34Å; S121-Y125 PolarHBondContact OG-OH 3.42Å
122	D	71.6	Confident	80.7	Confident	174 Å²	174	53.8 Å²	53.8	93%	0.93	30%	0.302	S	S	*	.	S	Bend	trans	-64.7	11.4	170.6	-65.2	-33.9	0	0	0	114.1
123	L	76.6	Confident	80.5	Confident	78 Å²	78	55.2 Å²	55.2	41%	0.408	32%	0.317	S	S	.	.			trans	-95.7	125.1	-175	-64.4	173	0	0	0	111.6	P86 S121 Y125 I128	P86-L123 HydrophobicContact CG-CD1 4.14Å; S121-L123 PolarHBondContact O-N 3.29Å; L123-Y125 PolarHBondContact O-N 2.99Å; L123-I128 HydrophobicContact CB-CD1 4.38Å; L123-I128 HydrophobicContact CD2-CD1 4.39Å
124	N	81.9	Confident	80.2	Confident	114 Å²	114	57.4 Å²	57.4	61%	0.61	34%	0.338	S	S	*	.			trans	-84.2	88	170.6	-75.4	-43.2	0	0	0	110.9	T126 Q127 I128	N124-T126 PolarHBondContact O-N 2.84Å; N124-T126 VanDerWaalsContact O-N 3.14Å; N124-Q127 HydrophobicContact CB-CB 4.1Å; N124-Q127 HydrophobicContact CB-CG 3.94Å; N124-Q127 PolarHBondContact O-N 3.2Å; N124-I128 PolarHBondContact O-N 2.81Å
125	Y	82.3	Confident	80.1	Confident	11 Å²	11	57.9 Å²	57.9	4%	0.043	34%	0.341	C	S	.	.	H	α-helix	trans	-52.7	-36.5	-178	-62.2	-77.1	0	0	0	114	T77 V79 P86 M115 G117 P118 S121 L123 I128 G129	T77-Y125 WeakPolarHBondContact CG2-O 3.3Å; V79-Y125 HydrophobicContact CG2-CD2 3.82Å; V79-Y125 HydrophobicContact CG2-CE2 4.29Å; P86-Y125 HydrophobicContact CB-CE1 4.02Å; M115-Y125 HydrophobicContact CE-CD1 3.96Å; M115-Y125 HydrophobicContact CE-CE1 3.98Å; M115-Y125 HydrophobicContact CG-CD1 3.96Å; M115-Y125 HydrophobicContact CG-CE1 4.35Å; M115-Y125 HydrophobicContact SD-CD1 4.14Å; G117-Y125 VanDerWaalsContact CA-OH 3.28Å; G117-Y125 WeakPolarHBondContact CA-OH 3.28Å; P118-Y125 PolarHBondContact O-OH 3.4Å; S121-Y125 WeakPolarHBondContact OG-CE2 3.34Å; S121-Y125 PolarHBondContact OG-OH 3.42Å; L123-Y125 PolarHBondContact O-N 2.99Å; Y125-I128 PolarHBondContact O-N 2.76Å; Y125-G129 PolarHBondContact O-N 2.78Å
126	T	80.5	Confident	80	Confident	95 Å²	95	57.9 Å²	57.9	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-64.9	-37.3	176.5	12.7	0	0	0	0	113	N124 G129 R130	N124-T126 PolarHBondContact O-N 2.84Å; N124-T126 VanDerWaalsContact O-N 3.14Å; T126-G129 PolarHBondContact O-N 3.38Å; T126-R130 WeakPolarHBondContact O-CG 3.27Å; T126-R130 PolarHBondContact O-N 2.8Å; T126-R130 VanDerWaalsContact O-N 3.09Å
127	Q	78.7	Confident	79.7	Confident	105 Å²	105	61.3 Å²	61.3	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-72.9	-36.6	178	-64.6	-63.5	-7.1	0	0	111.2	N124 G129 R130 A131	N124-Q127 HydrophobicContact CB-CB 4.1Å; N124-Q127 HydrophobicContact CB-CG 3.94Å; N124-Q127 PolarHBondContact O-N 3.2Å; Q127-G129 VanDerWaalsContact C-N 3.34Å; Q127-R130 PolarHBondContact O-N 3.03Å; Q127-A131 PolarHBondContact O-N 2.81Å
128	I	83.3	Confident	79.4	Confident	56 Å²	56	62.7 Å²	62.7	29%	0.287	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-41.3	174.4	-58.4	171.7	0	0	0	110.4	M115 L123 N124 Y125 R130 A131 M132	M115-I128 HydrophobicContact CE-CD1 3.62Å; M115-I128 HydrophobicContact CE-CG2 4.46Å; M115-I128 HydrophobicContact SD-CB 4.04Å; M115-I128 HydrophobicContact SD-CD1 3.91Å; M115-I128 HydrophobicContact SD-CG2 3.52Å; M115-I128 VanDerWaalsContact SD-CG2 3.52Å; L123-I128 HydrophobicContact CB-CD1 4.38Å; L123-I128 HydrophobicContact CD2-CD1 4.39Å; N124-I128 PolarHBondContact O-N 2.81Å; Y125-I128 PolarHBondContact O-N 2.76Å; I128-R130 VanDerWaalsContact C-N 3.34Å; I128-R130 PolarHBondContact O-N 2.98Å; I128-A131 PolarHBondContact O-N 3.07Å; I128-M132 WeakPolarHBondContact O-CB 3.22Å; I128-M132 PolarHBondContact O-N 3.14Å
129	G	81.8	Confident	78.9	Confident	8 Å²	8	69.3 Å²	69.3	8%	0.082	40%	0.402	C	S	.	.	H	α-helix	trans	-59.6	-41.5	172.7	0	0	0	0	0	113.2	Y125 T126 Q127 M132 G133	Y125-G129 PolarHBondContact O-N 2.78Å; T126-G129 PolarHBondContact O-N 3.38Å; Q127-G129 VanDerWaalsContact C-N 3.34Å; G129-M132 PolarHBondContact O-N 3.02Å; G129-G133 PolarHBondContact O-N 2.86Å
130	R	80.4	Confident	79	Confident	141 Å²	141	65.9 Å²	65.9	53%	0.532	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-44.5	175.2	-73.8	176.1	176.4	-165.3	-1.9	112.2	T126 Q127 I128 G133 A134	T126-R130 WeakPolarHBondContact O-CG 3.27Å; T126-R130 PolarHBondContact O-N 2.8Å; T126-R130 VanDerWaalsContact O-N 3.09Å; Q127-R130 PolarHBondContact O-N 3.03Å; I128-R130 VanDerWaalsContact C-N 3.34Å; I128-R130 PolarHBondContact O-N 2.98Å; R130-G133 PolarHBondContact O-N 3.45Å; R130-A134 PolarHBondContact O-N 3.49Å
131	A	83	Confident	79.9	Confident	62 Å²	62	61 Å²	61	51%	0.512	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-44.9	176.7	0	0	0	0	0	111.4	Q127 I128 G133 A134 L135	Q127-A131 PolarHBondContact O-N 2.81Å; I128-A131 PolarHBondContact O-N 3.07Å; A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.9Å; A131-A134 PolarHBondContact O-N 2.99Å; A131-L135 WeakPolarHBondContact O-CB 3.47Å; A131-L135 PolarHBondContact O-N 3.47Å
132	M	85.3	Confident	80.5	Confident	20 Å²	20	60.7 Å²	60.7	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-36.6	176.1	-167.7	65.2	-174.1	0	0	112.3	F90 F113 I128 G129 L135 L136	F90-M132 HydrophobicContact CD2-CE 3.64Å; F90-M132 HydrophobicContact CE2-CE 3.5Å; F90-M132 VanDerWaalsContact CE2-CE 3.5Å; F113-M132 HydrophobicContact CB-CE 4.46Å; F113-M132 HydrophobicContact CB-CG 4.27Å; F113-M132 HydrophobicContact CD1-CB 4.24Å; F113-M132 HydrophobicContact CD1-CG 3.74Å; F113-M132 HydrophobicContact CD2-CE 3.83Å; F113-M132 HydrophobicContact CD2-CG 3.98Å; F113-M132 HydrophobicContact CD2-SD 4.22Å; F113-M132 HydrophobicContact CE1-CB 4.11Å; F113-M132 HydrophobicContact CE1-CG 3.94Å; F113-M132 HydrophobicContact CE2-CE 4.29Å; F113-M132 HydrophobicContact CE2-CG 4.17Å; F113-M132 HydrophobicContact CE2-SD 4.2Å; F113-M132 HydrophobicContact CG-CE 4.23Å; F113-M132 HydrophobicContact CG-CG 3.72Å; F113-M132 HydrophobicContact CZ-CB 4.47Å; F113-M132 HydrophobicContact CZ-CG 4.13Å; I128-M132 WeakPolarHBondContact O-CB 3.22Å; I128-M132 PolarHBondContact O-N 3.14Å; G129-M132 PolarHBondContact O-N 3.02Å; M132-L135 HydrophobicContact CE-CD2 4.14Å; M132-L135 PolarHBondContact O-N 3.35Å; M132-L135 HydrophobicContact SD-CD2 3.98Å; M132-L136 HydrophobicContact CE-CD1 4.03Å; M132-L136 HydrophobicContact CE-CD2 4.4Å; M132-L136 HydrophobicContact CE-CG 4.07Å; M132-L136 HydrophobicContact CG-CD1 4.07Å; M132-L136 WeakPolarHBondContact O-CB 3.39Å; M132-L136 WeakPolarHBondContact O-CG 3.46Å; M132-L136 PolarHBondContact O-N 3.17Å
133	G	83.4	Confident	80.8	Confident	32 Å²	32	54.8 Å²	54.8	33%	0.33	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-39.5	174.2	0	0	0	0	0	113	G129 R130 A131 A137	G129-G133 PolarHBondContact O-N 2.86Å; R130-G133 PolarHBondContact O-N 3.45Å; A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.9Å; G133-A137 PolarHBondContact O-N 2.8Å
134	A	80.8	Confident	81	Confident	61 Å²	61	53.5 Å²	53.5	50%	0.504	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-39.5	175	0	0	0	0	0	111.9	R130 A131 A137	R130-A134 PolarHBondContact O-N 3.49Å; A131-A134 PolarHBondContact O-N 2.99Å; A134-A137 WeakPolarHBondContact O-CB 3.45Å; A134-A137 PolarHBondContact O-N 2.91Å
135	L	84.4	Confident	81.1	Confident	12 Å²	12	48.2 Å²	48.2	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-68.8	-39.2	179	-178.3	150.9	0	0	0	112	A131 M132 A137 D138 F141 I158 F161	A131-L135 WeakPolarHBondContact O-CB 3.47Å; A131-L135 PolarHBondContact O-N 3.47Å; M132-L135 HydrophobicContact CE-CD2 4.14Å; M132-L135 PolarHBondContact O-N 3.35Å; M132-L135 HydrophobicContact SD-CD2 3.98Å; L135-A137 PolarHBondContact O-N 3.5Å; L135-D138 WeakPolarHBondContact O-CB 3.29Å; L135-D138 PolarHBondContact O-N 3.18Å; L135-F141 HydrophobicContact CD2-CD1 3.27Å; L135-F141 HydrophobicContact CD2-CD2 3.82Å; L135-F141 HydrophobicContact CD2-CE1 3.09Å; L135-F141 HydrophobicContact CD2-CE2 3.66Å; L135-F141 HydrophobicContact CD2-CG 3.65Å; L135-F141 HydrophobicContact CD2-CZ 3.31Å; L135-F141 HydrophobicContact CG-CD1 4.09Å; L135-F141 HydrophobicContact CG-CD2 4.2Å; L135-F141 HydrophobicContact CG-CE1 4.31Å; L135-F141 HydrophobicContact CG-CE2 4.4Å; L135-F141 HydrophobicContact CG-CG 4.06Å; L135-F141 HydrophobicContact CG-CZ 4.46Å; L135-F141 WeakPolarHBondContact O-CD1 3.36Å; L135-I158 HydrophobicContact CD1-CG1 4.38Å; L135-I158 HydrophobicContact CD1-CG2 4.22Å; L135-F161 HydrophobicContact CB-CE1 4.28Å; L135-F161 HydrophobicContact CB-CZ 4.45Å; L135-F161 HydrophobicContact CD1-CD1 3.73Å; L135-F161 HydrophobicContact CD1-CE1 4.14Å; L135-F161 HydrophobicContact CD1-CG 4.24Å; L135-F161 HydrophobicContact CG-CD1 4.12Å; L135-F161 HydrophobicContact CG-CE1 4.31Å; L135-F161 HydrophobicContact CG-CG 4.33Å
136	L	83	Confident	81	Confident	14 Å²	14	50.9 Å²	50.9	7%	0.073	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.1	172.9	-74.6	168.3	0	0	0	114.2	V75 F90 F111 M132 D138 F141 S142	V75-L136 HydrophobicContact CG2-CD1 3.95Å; F90-L136 HydrophobicContact CE2-CD2 4.11Å; F90-L136 HydrophobicContact CZ-CD2 4.38Å; F111-L136 HydrophobicContact CB-CD2 4.39Å; F111-L136 HydrophobicContact CD2-CD2 4.46Å; F111-L136 HydrophobicContact CG-CD2 4.45Å; M132-L136 HydrophobicContact CE-CD1 4.03Å; M132-L136 HydrophobicContact CE-CD2 4.4Å; M132-L136 HydrophobicContact CE-CG 4.07Å; M132-L136 HydrophobicContact CG-CD1 4.07Å; M132-L136 WeakPolarHBondContact O-CB 3.39Å; M132-L136 WeakPolarHBondContact O-CG 3.46Å; M132-L136 PolarHBondContact O-N 3.17Å; L136-D138 VanDerWaalsContact C-N 3.34Å; L136-F141 HydrophobicContact CD2-CD1 4.43Å; L136-F141 HydrophobicContact CD2-CE1 4.02Å; L136-S142 PolarHBondContact O-OG 3.03Å
137	A	79.1	Confident	81	Confident	84 Å²	84	49 Å²	49	69%	0.694	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.2	171.9	0	0	0	0	0	112.1	G133 A134 L135	G133-A137 PolarHBondContact O-N 2.8Å; A134-A137 WeakPolarHBondContact O-CB 3.45Å; A134-A137 PolarHBondContact O-N 2.91Å; L135-A137 PolarHBondContact O-N 3.5Å
138	D	78.6	Confident	81.3	Confident	28 Å²	28	44.6 Å²	44.6	15%	0.15	25%	0.254	C	S	.	.			trans	-75.9	125.6	172.5	-178.7	46.5	0	0	0	110.3	L135 L136 F141 S142 F161 R193	L135-D138 WeakPolarHBondContact O-CB 3.29Å; L135-D138 PolarHBondContact O-N 3.18Å; L136-D138 VanDerWaalsContact C-N 3.34Å; D138-F141 HydrophobicContact CB-CB 4.14Å; D138-F141 PolarHBondContact OD2-N 3.34Å; D138-S142 WeakPolarHBondContact O-CB 3.28Å; D138-S142 PolarHBondContact O-N 3.14Å; D138-S142 PolarHBondContact O-OG 3.45Å; D138-F161 HydrophobicContact CB-CD2 4.27Å; D138-F161 HydrophobicContact CB-CE2 3.96Å; D138-R193 IonicContact OD2-CZ 3.29Å; D138-R193 IonicContact OD2-NH1 2.85Å; D138-R193 PolarHBondContact OD2-NH1 3.25Å; D138-R193 IonicContact OD2-NH2 3.68Å
139	W	74.1	Confident	81.1	Confident	147 Å²	147	49.2 Å²	49.2	56%	0.557	27%	0.274	S	S	*	.	H	α-helix	trans	-71.4	-33.4	-177.8	76.1	-81.8	0	0	0	111.7	S142 L143 L194	W139-S142 PolarHBondContact O-N 3.42Å; W139-L143 HydrophobicContact CZ3-CD2 4.12Å; W139-L143 WeakPolarHBondContact O-CB 3.43Å; W139-L143 PolarHBondContact O-N 3.32Å; W139-L194 HydrophobicContact CH2-CD2 4.1Å; W139-L194 HydrophobicContact CZ2-CD1 4.42Å; W139-L194 HydrophobicContact CZ2-CD2 3.89Å; W139-L194 HydrophobicContact CZ2-CG 4.27Å
140	V	77.8	Confident	81.2	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.055	29%	0.291	C	S	.	.	H	α-helix	trans	-67.6	-50	179.4	-172.6	0	0	0	0	109.8	S142 L143 E144 R193	V140-S142 VanDerWaalsContact C-N 3.32Å; V140-S142 PolarHBondContact O-N 3.34Å; V140-L143 PolarHBondContact O-N 2.86Å; V140-E144 WeakPolarHBondContact O-CG 3.45Å; V140-E144 PolarHBondContact O-N 3.27Å; V140-R193 HydrophobicContact CG1-CG 4.32Å; V140-R193 VanDerWaalsContact CG1-CZ 3.45Å
141	F	84.4	Confident	81.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-44.4	173.9	176.7	-90.7	0	0	0	111.9	L135 L136 D138 L143 E144 A145 L154 A157 I158	L135-F141 HydrophobicContact CD2-CD1 3.27Å; L135-F141 HydrophobicContact CD2-CD2 3.82Å; L135-F141 HydrophobicContact CD2-CE1 3.09Å; L135-F141 HydrophobicContact CD2-CE2 3.66Å; L135-F141 HydrophobicContact CD2-CG 3.65Å; L135-F141 HydrophobicContact CD2-CZ 3.31Å; L135-F141 HydrophobicContact CG-CD1 4.09Å; L135-F141 HydrophobicContact CG-CD2 4.2Å; L135-F141 HydrophobicContact CG-CE1 4.31Å; L135-F141 HydrophobicContact CG-CE2 4.4Å; L135-F141 HydrophobicContact CG-CG 4.06Å; L135-F141 HydrophobicContact CG-CZ 4.46Å; L135-F141 WeakPolarHBondContact O-CD1 3.36Å; L136-F141 HydrophobicContact CD2-CD1 4.43Å; L136-F141 HydrophobicContact CD2-CE1 4.02Å; D138-F141 HydrophobicContact CB-CB 4.14Å; D138-F141 PolarHBondContact OD2-N 3.34Å; F141-L143 PolarHBondContact O-N 3.14Å; F141-E144 PolarHBondContact O-N 2.76Å; F141-A145 HydrophobicContact CD1-CB 4.44Å; F141-A145 HydrophobicContact CE1-CB 3.86Å; F141-A145 HydrophobicContact CZ-CB 4.01Å; F141-A145 VanDerWaalsContact O-CB 3.26Å; F141-A145 WeakPolarHBondContact O-CB 3.48Å; F141-A145 PolarHBondContact O-N 3.03Å; F141-L154 HydrophobicContact CE2-CD1 4.4Å; F141-L154 HydrophobicContact CZ-CD1 3.88Å; F141-A157 HydrophobicContact CD2-CB 4.02Å; F141-A157 HydrophobicContact CE2-CB 3.84Å; F141-I158 HydrophobicContact CE2-CG1 3.62Å; F141-I158 HydrophobicContact CZ-CG1 4.05Å
142	S	80.1	Confident	81.4	Confident	24 Å²	24	58 Å²	58	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-35.3	179.8	-65.5	0	0	0	0	112.3	F111 L136 D138 W139 V140 H146	F111-S142 WeakPolarHBondContact CZ-O 3.39Å; L136-S142 PolarHBondContact O-OG 3.03Å; D138-S142 WeakPolarHBondContact O-CB 3.28Å; D138-S142 PolarHBondContact O-N 3.14Å; D138-S142 PolarHBondContact O-OG 3.45Å; W139-S142 PolarHBondContact O-N 3.42Å; V140-S142 VanDerWaalsContact C-N 3.32Å; V140-S142 PolarHBondContact O-N 3.34Å; S142-H146 WeakPolarHBondContact O-CB 3.43Å; S142-H146 PolarHBondContact O-N 3.03Å
143	L	78	Confident	81.3	Confident	50 Å²	50	60.5 Å²	60.5	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-73.3	-43.5	176.7	-177.1	57.2	0	0	0	112.1	W139 V140 F141 H146 L147 L201	W139-L143 HydrophobicContact CZ3-CD2 4.12Å; W139-L143 WeakPolarHBondContact O-CB 3.43Å; W139-L143 PolarHBondContact O-N 3.32Å; V140-L143 PolarHBondContact O-N 2.86Å; F141-L143 PolarHBondContact O-N 3.14Å; L143-H146 WeakPolarHBondContact O-CA 3.49Å; L143-H146 WeakPolarHBondContact O-CB 3.49Å; L143-H146 PolarHBondContact O-N 3.23Å; L143-H146 VanDerWaalsContact O-N 3.12Å; L143-L147 HydrophobicContact CD1-CD1 4.39Å; L143-L147 HydrophobicContact CG-CD1 4.36Å; L143-L147 WeakPolarHBondContact O-CG 3.45Å; L143-L147 PolarHBondContact O-N 3.18Å; L143-L201 HydrophobicContact CD2-CD2 3.29Å; L143-L201 HydrophobicContact CG-CD2 4.05Å
144	E	80.7	Confident	81.4	Confident	51 Å²	51	60.3 Å²	60.3	24%	0.238	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-45.1	173.4	-72.1	166.7	174.6	0	0	111.1	V140 F141 H146 L147 A148 A157 R193	V140-E144 WeakPolarHBondContact O-CG 3.45Å; V140-E144 PolarHBondContact O-N 3.27Å; F141-E144 PolarHBondContact O-N 2.76Å; E144-H146 VanDerWaalsContact C-N 3.26Å; E144-H146 PolarHBondContact O-N 3.35Å; E144-L147 CarbonylContact O-C 3.58Å; E144-L147 PolarHBondContact O-N 2.9Å; E144-L147 VanDerWaalsContact O-N 3.1Å; E144-A148 WeakPolarHBondContact O-CB 3.49Å; E144-A148 PolarHBondContact O-N 3.35Å; E144-A157 HydrophobicContact CB-CB 3.79Å; E144-R193 IonicContact OE1-NH2 2.69Å; E144-R193 IonicContact OE2-NH2 2.9Å; E144-R193 PolarHBondContact OE2-NH2 3.42Å
145	A	84	Confident	81.7	Confident	3 Å²	3	61.5 Å²	61.5	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-30.8	173.9	0	0	0	0	0	112.5	F90 F111 F141 L154	F90-A145 HydrophobicContact CZ-CB 4.28Å; F111-A145 HydrophobicContact CE1-CB 4.14Å; F111-A145 HydrophobicContact CZ-CB 4.24Å; F141-A145 HydrophobicContact CD1-CB 4.44Å; F141-A145 HydrophobicContact CE1-CB 3.86Å; F141-A145 HydrophobicContact CZ-CB 4.01Å; F141-A145 VanDerWaalsContact O-CB 3.26Å; F141-A145 WeakPolarHBondContact O-CB 3.48Å; F141-A145 PolarHBondContact O-N 3.03Å; A145-L154 HydrophobicContact CB-CD1 3.83Å
146	H	79.9	Confident	81.7	Confident	67 Å²	67	64.5 Å²	64.5	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-69.5	-36.4	172.4	-176.5	61.4	0	0	0	112.1	R92 R110 F111 S142 L143 E144	R92-H146 PolarHBondContact NH1-O 3.22Å; R110-H146 PolarHBondContact NH2-CE1 3.24Å; R110-H146 PolarHBondContact NH2-ND1 3.37Å; F111-H146 HydrophobicContact CZ-CB 4.14Å; S142-H146 WeakPolarHBondContact O-CB 3.43Å; S142-H146 PolarHBondContact O-N 3.03Å; L143-H146 WeakPolarHBondContact O-CA 3.49Å; L143-H146 WeakPolarHBondContact O-CB 3.49Å; L143-H146 PolarHBondContact O-N 3.23Å; L143-H146 VanDerWaalsContact O-N 3.12Å; E144-H146 VanDerWaalsContact C-N 3.26Å; E144-H146 PolarHBondContact O-N 3.35Å
147	L	80.6	Confident	81.8	Confident	55 Å²	55	64 Å²	64	29%	0.288	33%	0.328	S	S	.	.	H	α-helix	trans	-84.9	-21.4	-178.7	-67.9	170.8	0	0	0	113.5	L143 E144 Q149 R200	L143-L147 HydrophobicContact CD1-CD1 4.39Å; L143-L147 HydrophobicContact CG-CD1 4.36Å; L143-L147 WeakPolarHBondContact O-CG 3.45Å; L143-L147 PolarHBondContact O-N 3.18Å; E144-L147 CarbonylContact O-C 3.58Å; E144-L147 PolarHBondContact O-N 2.9Å; E144-L147 VanDerWaalsContact O-N 3.1Å; L147-Q149 PolarHBondContact O-N 2.89Å; L147-R200 HydrophobicContact CD1-CB 3.84Å
148	A	83.7	Confident	82.1	Confident	13 Å²	13	62.7 Å²	62.7	11%	0.107	31%	0.309	C	S	.	.			trans	-58.4	122.9	-177.4	0	0	0	0	0	112	R92 E144 E153 L154	R92-A148 VanDerWaalsContact CZ-O 3.29Å; R92-A148 PolarHBondContact NH1-O 3.03Å; R92-A148 PolarHBondContact NH2-O 3.46Å; E144-A148 WeakPolarHBondContact O-CB 3.49Å; E144-A148 PolarHBondContact O-N 3.35Å; A148-E153 HydrophobicContact CB-CB 4.06Å; A148-L154 HydrophobicContact CB-CB 4.44Å
149	Q	79.9	Confident	82.4	Confident	152 Å²	152	63.4 Å²	63.4	71%	0.71	32%	0.319	S	S	*	.			trans	-101.5	-20.8	175.1	-64.2	-172.2	-5.9	0	0	111.8	L147 E153	L147-Q149 PolarHBondContact O-N 2.89Å; Q149-E153 PolarHBondContact N-OE2 3.42Å
150	T	84	Confident	82.7	Confident	72 Å²	72	59.6 Å²	59.6	44%	0.442	31%	0.31	S	S	.	.	S	Bend	trans	-122.8	154.5	-179.8	65.6	0	0	0	0	111.9	K152 E153 L154	T150-K152 PolarHBondContact O-N 2.91Å; T150-E153 PolarHBondContact N-OE2 3.3Å; T150-E153 PolarHBondContact O-N 3.22Å; T150-E153 WeakPolarHBondContact OG1-CG 3.38Å; T150-E153 PolarHBondContact OG1-N 3.44Å; T150-L154 PolarHBondContact O-N 3.29Å
151	E	82.6	Confident	83	Confident	153 Å²	153	61.1 Å²	61.1	72%	0.715	32%	0.316	S	S	*	.	H	α-helix	trans	-59.4	-33.4	174.1	-173.1	-175.1	163.5	0	0	112.1	L154 N155	E151-L154 PolarHBondContact O-N 2.82Å; E151-N155 PolarHBondContact O-N 2.55Å; E151-N155 PolarHBondContact O-ND2 3.14Å
152	K	85.3	Confident	82.9	Confident	170 Å²	170	66.6 Å²	66.6	74%	0.739	34%	0.342	S	S	*	.	H	α-helix	trans	-62.2	-44.1	177.2	-69.5	-174.7	178	-178.2	0	112	T150 L154 N155 T156	T150-K152 PolarHBondContact O-N 2.91Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 2.75Å; K152-N155 PolarHBondContact O-N 3.15Å; K152-T156 PolarHBondContact O-N 3.21Å; K152-T156 PolarHBondContact O-OG1 3.17Å
153	E	83	Confident	82.8	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-37.1	177.8	-72.3	167.7	168.1	0	0	112	A148 Q149 T150 T156 A157	A148-E153 HydrophobicContact CB-CB 4.06Å; Q149-E153 PolarHBondContact N-OE2 3.42Å; T150-E153 PolarHBondContact N-OE2 3.3Å; T150-E153 PolarHBondContact O-N 3.22Å; T150-E153 WeakPolarHBondContact OG1-CG 3.38Å; T150-E153 PolarHBondContact OG1-N 3.44Å; E153-T156 PolarHBondContact O-N 3.34Å; E153-A157 PolarHBondContact O-N 3.05Å
154	L	85.8	Confident	82.5	Confident	28 Å²	28	70.8 Å²	70.8	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-65.8	-41.9	174.8	-174.6	65.5	0	0	0	111.5	F90 F141 A145 A148 T150 E151 K152 T156 A157 I158	F90-L154 HydrophobicContact CB-CD2 4.33Å; F90-L154 HydrophobicContact CD1-CD2 3.58Å; F90-L154 HydrophobicContact CE1-CD1 4.12Å; F90-L154 HydrophobicContact CE1-CD2 4.04Å; F90-L154 HydrophobicContact CG-CD2 3.99Å; F90-L154 HydrophobicContact CZ-CD1 4.48Å; F141-L154 HydrophobicContact CE2-CD1 4.4Å; F141-L154 HydrophobicContact CZ-CD1 3.88Å; A145-L154 HydrophobicContact CB-CD1 3.83Å; A148-L154 HydrophobicContact CB-CB 4.44Å; T150-L154 PolarHBondContact O-N 3.29Å; E151-L154 PolarHBondContact O-N 2.82Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 2.75Å; L154-T156 VanDerWaalsContact C-N 3.34Å; L154-A157 PolarHBondContact O-N 3.01Å; L154-I158 WeakPolarHBondContact O-CG1 3.11Å; L154-I158 PolarHBondContact O-N 2.52Å
155	N	86.4	Confident	82.2	Confident	85 Å²	85	70.5 Å²	70.5	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-65.8	-36.9	176	-73	-23.5	0	0	0	112.1	E151 K152 I158 A159	E151-N155 PolarHBondContact O-N 2.55Å; E151-N155 PolarHBondContact O-ND2 3.14Å; K152-N155 PolarHBondContact O-N 3.15Å; N155-I158 PolarHBondContact O-N 3.02Å; N155-A159 PolarHBondContact O-N 3.39Å
156	T	85.6	Confident	81.7	Confident	76 Å²	76	73.3 Å²	73.3	47%	0.466	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-45.5	171.9	-58.3	0	0	0	0	111.1	K152 E153 L154 I158 A159 D160	K152-T156 PolarHBondContact O-N 3.21Å; K152-T156 PolarHBondContact O-OG1 3.17Å; E153-T156 PolarHBondContact O-N 3.34Å; L154-T156 VanDerWaalsContact C-N 3.34Å; T156-I158 VanDerWaalsContact C-N 3.29Å; T156-I158 PolarHBondContact O-N 3.4Å; T156-A159 WeakPolarHBondContact O-CA 3.32Å; T156-A159 WeakPolarHBondContact O-CB 3.41Å; T156-A159 PolarHBondContact O-N 3.33Å; T156-D160 VanDerWaalsContact O-CG 3.26Å; T156-D160 PolarHBondContact O-N 3.42Å
157	A	83.9	Confident	81.4	Confident	3 Å²	3	76.2 Å²	76.2	3%	0.025	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-36.5	177.1	0	0	0	0	0	113	F141 E144 E153 L154 F161	F141-A157 HydrophobicContact CD2-CB 4.02Å; F141-A157 HydrophobicContact CE2-CB 3.84Å; E144-A157 HydrophobicContact CB-CB 3.79Å; E153-A157 PolarHBondContact O-N 3.05Å; L154-A157 PolarHBondContact O-N 3.01Å; A157-F161 PolarHBondContact O-N 3.35Å; A157-F161 VanDerWaalsContact O-N 3.12Å
158	I	86.5	Confident	80.8	Confident	56 Å²	56	77.9 Å²	77.9	29%	0.287	41%	0.414	S	S	.	.	H	α-helix	trans	-66.1	-43.1	173.3	-65.3	171.6	0	0	0	110.4	L135 F141 L154 N155 T156 F161 M162	L135-I158 HydrophobicContact CD1-CG1 4.38Å; L135-I158 HydrophobicContact CD1-CG2 4.22Å; F141-I158 HydrophobicContact CE2-CG1 3.62Å; F141-I158 HydrophobicContact CZ-CG1 4.05Å; L154-I158 WeakPolarHBondContact O-CG1 3.11Å; L154-I158 PolarHBondContact O-N 2.52Å; N155-I158 PolarHBondContact O-N 3.02Å; T156-I158 VanDerWaalsContact C-N 3.29Å; T156-I158 PolarHBondContact O-N 3.4Å; I158-F161 PolarHBondContact O-N 3.06Å; I158-M162 VanDerWaalsContact O-CG 3.28Å; I158-M162 WeakPolarHBondContact O-CG 3.39Å; I158-M162 PolarHBondContact O-N 3.41Å
159	A	84.6	Confident	80.2	Confident	44 Å²	44	81 Å²	81	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-62.8	-44.9	177.5	0	0	0	0	0	111.8	N155 T156 F161 M162 D163	N155-A159 PolarHBondContact O-N 3.39Å; T156-A159 WeakPolarHBondContact O-CA 3.32Å; T156-A159 WeakPolarHBondContact O-CB 3.41Å; T156-A159 PolarHBondContact O-N 3.33Å; A159-F161 VanDerWaalsContact C-N 3.3Å; A159-F161 PolarHBondContact O-N 3.4Å; A159-M162 CarbonylContact O-C 3.59Å; A159-M162 WeakPolarHBondContact O-CA 3.29Å; A159-M162 WeakPolarHBondContact O-CB 3.33Å; A159-M162 PolarHBondContact O-N 2.83Å; A159-D163 PolarHBondContact O-N 3.38Å
160	D	81	Confident	79.3	Confident	66 Å²	66	80.5 Å²	80.5	35%	0.353	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-37.6	178.8	-65.9	-20.3	0	0	0	111.9	T156 C164	T156-D160 VanDerWaalsContact O-CG 3.26Å; T156-D160 PolarHBondContact O-N 3.42Å; D160-C164 PolarHBondContact O-N 2.92Å; D160-C164 PolarHBondContact O-SG 3.03Å; D160-C164 VanDerWaalsContact O-SG 3.32Å
161	F	83.6	Confident	78.2	Confident	42 Å²	42	81.6 Å²	81.6	18%	0.184	45%	0.45	C	S	.	.	H	α-helix	trans	-64.6	-42.6	171.8	174.8	-91.3	0	0	0	112.2	L135 D138 A157 I158 A159 C164 S165	L135-F161 HydrophobicContact CB-CE1 4.28Å; L135-F161 HydrophobicContact CB-CZ 4.45Å; L135-F161 HydrophobicContact CD1-CD1 3.73Å; L135-F161 HydrophobicContact CD1-CE1 4.14Å; L135-F161 HydrophobicContact CD1-CG 4.24Å; L135-F161 HydrophobicContact CG-CD1 4.12Å; L135-F161 HydrophobicContact CG-CE1 4.31Å; L135-F161 HydrophobicContact CG-CG 4.33Å; D138-F161 HydrophobicContact CB-CD2 4.27Å; D138-F161 HydrophobicContact CB-CE2 3.96Å; A157-F161 PolarHBondContact O-N 3.35Å; A157-F161 VanDerWaalsContact O-N 3.12Å; I158-F161 PolarHBondContact O-N 3.06Å; A159-F161 VanDerWaalsContact C-N 3.3Å; A159-F161 PolarHBondContact O-N 3.4Å; F161-C164 CarbonylContact O-C 3.59Å; F161-C164 PolarHBondContact O-N 3.48Å; F161-S165 WeakPolarHBondContact CE1-OG 3.47Å; F161-S165 PolarHBondContact O-N 3.27Å; F161-S165 VanDerWaalsContact O-N 3.15Å; F161-S165 PolarHBondContact O-OG 3.13Å
162	M	81.6	Confident	77.1	Confident	114 Å²	114	82.8 Å²	82.8	56%	0.562	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-38.9	179.2	-72.4	-66.1	-61.3	0	0	111.9	I158 A159 C164 S165	I158-M162 VanDerWaalsContact O-CG 3.28Å; I158-M162 WeakPolarHBondContact O-CG 3.39Å; I158-M162 PolarHBondContact O-N 3.41Å; A159-M162 CarbonylContact O-C 3.59Å; A159-M162 WeakPolarHBondContact O-CA 3.29Å; A159-M162 WeakPolarHBondContact O-CB 3.33Å; A159-M162 PolarHBondContact O-N 2.83Å; M162-C164 PolarHBondContact O-N 3.48Å; M162-S165 WeakPolarHBondContact O-CB 3.48Å; M162-S165 PolarHBondContact O-N 3Å
163	D	79	Confident	75.9	Confident	124 Å²	124	79.4 Å²	79.4	66%	0.663	44%	0.444	S	S	*	.	H	α-helix	trans	-62.7	-28.7	175.2	-75	-12	0	0	0	111.9	A159 M189	A159-D163 PolarHBondContact O-N 3.38Å; D163-M189 WeakPolarHBondContact O-CE 3.16Å
164	C	71.4	Confident	74.7	Confident	39 Å²	39	84.5 Å²	84.5	26%	0.264	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.4	175.6	-63.3	0	0	0	0	114.2	D160 F161 M162	D160-C164 PolarHBondContact O-N 2.92Å; D160-C164 PolarHBondContact O-SG 3.03Å; D160-C164 VanDerWaalsContact O-SG 3.32Å; F161-C164 CarbonylContact O-C 3.59Å; F161-C164 PolarHBondContact O-N 3.48Å; M162-C164 PolarHBondContact O-N 3.48Å
165	S	74.4	Confident	73.7	Confident	44 Å²	44	87.8 Å²	87.8	31%	0.308	49%	0.486	S	S	.	.			trans	-93	119.6	-177	-68.6	0	0	0	0	111	F161 M162 V167	F161-S165 WeakPolarHBondContact CE1-OG 3.47Å; F161-S165 PolarHBondContact O-N 3.27Å; F161-S165 VanDerWaalsContact O-N 3.15Å; F161-S165 PolarHBondContact O-OG 3.13Å; M162-S165 WeakPolarHBondContact O-CB 3.48Å; M162-S165 PolarHBondContact O-N 3Å; S165-V167 PolarHBondContact O-N 3.15Å
166	I	73.7	Confident	72.5	Confident	63 Å²	63	92.6 Å²	92.6	32%	0.323	50%	0.503	S	S	.	.			trans	-80.6	114.1	177.7	-57.9	175.3	0	0	0	108.9	I168 I182 F185 Q186 M189	I166-I168 HydrophobicContact CG2-CG1 4.26Å; I166-I168 PolarHBondContact O-N 2.82Å; I166-I182 HydrophobicContact CD1-CG2 3.77Å; I166-I182 HydrophobicContact CG2-CG2 4.1Å; I166-F185 HydrophobicContact CD1-CD1 3.95Å; I166-Q186 HydrophobicContact CD1-CB 3.7Å; I166-Q186 HydrophobicContact CD1-CG 4.11Å; I166-M189 HydrophobicContact CG1-SD 4.42Å
167	V	72.9	Confident	71.3	Confident	128 Å²	128	91.6 Å²	91.6	78%	0.776	50%	0.502	S	S	*	.			trans	-80.2	109.9	172.8	-177.7	0	0	0	0	108.8	S165	S165-V167 PolarHBondContact O-N 3.15Å
168	I	68.9	Low	70.2	Confident	90 Å²	90	98 Å²	98	46%	0.462	53%	0.533	S	S	.	.			trans	-89.7	122.4	175	-57	176.4	0	0	0	107.8	I166	I166-I168 HydrophobicContact CG2-CG1 4.26Å; I166-I168 PolarHBondContact O-N 2.82Å
169	P	70	Confident	69.3	Low	78 Å²	78	98.5 Å²	98.5	51%	0.506	54%	0.536	S	S	.	.			trans	-62.2	146.2	175	25.3	-32.1	0	0	0	110.1	T171	P169-T171 PolarHBondContact O-N 3.01Å; P169-T171 PolarHBondContact O-OG1 2.87Å
170	P	62.2	Low	68.5	Low	141 Å²	141	102.9 Å²	102.9	92%	0.916	55%	0.549	S	S	*	.	S	Bend	trans	-74.9	60.5	179.5	32.6	-36.3	0	0	0	111.4
171	T	61	Low	67.8	Low	95 Å²	95	103.8 Å²	103.8	58%	0.583	56%	0.56	S	S	*	*			trans	-102	143.1	173.5	36.1	0	0	0	0	110.1	P169 I173	P169-T171 PolarHBondContact O-N 3.01Å; P169-T171 PolarHBondContact O-OG1 2.87Å; T171-I173 PolarHBondContact O-N 3.09Å; T171-I173 VanDerWaalsContact O-N 3.07Å
172	E	59.6	Low	67.1	Low	178 Å²	178	104.3 Å²	104.3	83%	0.832	56%	0.564	S	S	*	*			trans	-59	113.3	174.2	-73.7	-177.4	168.1	0	0	110.2	Q174	E172-Q174 PolarHBondContact O-N 3.25Å
173	I	59.8	Low	66.5	Low	99 Å²	99	102 Å²	102	51%	0.508	55%	0.554	S	S	.	*			trans	-76.1	97.4	179	-55.6	170.7	0	0	0	107.5	T171 L179	T171-I173 PolarHBondContact O-N 3.09Å; T171-I173 VanDerWaalsContact O-N 3.07Å; I173-L179 HydrophobicContact CD1-CD1 3.77Å; I173-L179 HydrophobicContact CG2-CD1 3.86Å
174	Q	58	Low	66	Low	181 Å²	181	100.4 Å²	100.4	85%	0.846	55%	0.545	S	S	*	.			trans	-75.5	-23.8	-176.7	-65.5	-178	3.3	0	0	113.3	E172	E172-Q174 PolarHBondContact O-N 3.25Å
175	D	63	Low	65.9	Low	98 Å²	98	104.1 Å²	104.1	52%	0.524	56%	0.557	S	S	.	*			trans	-140.6	132.5	-176.1	-158.1	-11.8	0	0	0	112.9	A177 M178	D175-A177 PolarHBondContact O-N 3.31Å; D175-A177 PolarHBondContact OD1-N 3.44Å; D175-M178 PolarHBondContact O-N 2.94Å
176	K	61.3	Low	65.7	Low	185 Å²	185	106.5 Å²	106.5	80%	0.804	56%	0.563	S	S	*	*	H	α-helix	trans	-64	-24.5	176.7	-90	179.7	176.1	173	0	112.3	M178 L179	K176-M178 VanDerWaalsContact C-N 3.27Å; K176-M178 PolarHBondContact O-N 3.27Å; K176-L179 WeakPolarHBondContact O-CB 2.85Å; K176-L179 PolarHBondContact O-N 3.1Å
177	A	60.8	Low	65.4	Low	55 Å²	55	108.4 Å²	108.4	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-63.9	-29.9	178.2	0	0	0	0	0	113.1	D175 L179 E180	D175-A177 PolarHBondContact O-N 3.31Å; D175-A177 PolarHBondContact OD1-N 3.44Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3Å; A177-E180 PolarHBondContact O-N 3.39Å
178	M	61.7	Low	65.3	Low	139 Å²	139	107 Å²	107	69%	0.685	55%	0.553	S	S	*	*	H	α-helix	trans	-66	-32.8	175.4	-78.1	-170	162.1	0	0	112.1	D175 K176 S181	D175-M178 PolarHBondContact O-N 2.94Å; K176-M178 VanDerWaalsContact C-N 3.27Å; K176-M178 PolarHBondContact O-N 3.27Å; M178-S181 PolarHBondContact O-OG 3Å
179	L	66.3	Low	65.3	Low	66 Å²	66	104.6 Å²	104.6	35%	0.346	54%	0.54	S	S	.	.	H	α-helix	trans	-70.4	-29.6	176.4	-115.3	86.2	0	0	0	113.1	I173 K176 A177 S181 I182 I183	I173-L179 HydrophobicContact CD1-CD1 3.77Å; I173-L179 HydrophobicContact CG2-CD1 3.86Å; K176-L179 WeakPolarHBondContact O-CB 2.85Å; K176-L179 PolarHBondContact O-N 3.1Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3Å; L179-S181 VanDerWaalsContact C-N 3.29Å; L179-S181 PolarHBondContact O-N 3.42Å; L179-I182 PolarHBondContact O-N 3.04Å; L179-I182 VanDerWaalsContact O-N 3.12Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.37Å; L179-I183 PolarHBondContact O-N 3.23Å
180	E	68.4	Low	65.1	Low	136 Å²	136	104.4 Å²	104.4	64%	0.636	53%	0.534	S	S	*	.	H	α-helix	trans	-60.9	-39.5	-178	-74.7	-170.6	157.5	0	0	112.1	A177 I182 I183 D184	A177-E180 PolarHBondContact O-N 3.39Å; E180-I182 VanDerWaalsContact C-N 3.31Å; E180-I182 PolarHBondContact O-N 3.4Å; E180-I183 PolarHBondContact O-N 3.3Å; E180-D184 PolarHBondContact O-N 3.29Å
181	S	65.9	Low	65.3	Low	84 Å²	84	106 Å²	106	59%	0.587	52%	0.522	S	S	*	.	H	α-helix	trans	-62.8	-37.6	175.8	69	0	0	0	0	112.8	M178 L179 F185	M178-S181 PolarHBondContact O-OG 3Å; L179-S181 VanDerWaalsContact C-N 3.29Å; L179-S181 PolarHBondContact O-N 3.42Å; S181-F185 PolarHBondContact O-N 3.15Å
182	I	70.1	Confident	65.6	Low	53 Å²	53	106.6 Å²	106.6	27%	0.272	52%	0.518	S	S	.	.	H	α-helix	trans	-71.6	-36.2	179.6	-59.4	174.3	0	0	0	110.4	I166 L179 E180 D184 F185 Q186	I166-I182 HydrophobicContact CD1-CG2 3.77Å; I166-I182 HydrophobicContact CG2-CG2 4.1Å; L179-I182 PolarHBondContact O-N 3.04Å; L179-I182 VanDerWaalsContact O-N 3.12Å; E180-I182 VanDerWaalsContact C-N 3.31Å; E180-I182 PolarHBondContact O-N 3.4Å; I182-D184 VanDerWaalsContact C-N 3.33Å; I182-D184 PolarHBondContact O-N 3.34Å; I182-F185 PolarHBondContact O-N 3.02Å; I182-Q186 VanDerWaalsContact O-CB 3.28Å; I182-Q186 WeakPolarHBondContact O-CB 3.41Å; I182-Q186 PolarHBondContact O-N 3.43Å
183	I	67.4	Low	65.7	Low	66 Å²	66	100.2 Å²	100.2	34%	0.338	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-40.6	179.2	-71.1	165.8	0	0	0	111.2	L179 E180 Q186 K187	L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.37Å; L179-I183 PolarHBondContact O-N 3.23Å; E180-I183 PolarHBondContact O-N 3.3Å; I183-Q186 PolarHBondContact O-N 3.4Å; I183-K187 VanDerWaalsContact O-CG 3.32Å; I183-K187 WeakPolarHBondContact O-CG 3.24Å; I183-K187 PolarHBondContact O-N 3.26Å
184	D	69.5	Low	65.6	Low	91 Å²	91	100.3 Å²	100.3	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-72.7	-37.3	179.3	-73.3	-20.1	0	0	0	111.9	E180 I182 K187 K188	E180-D184 PolarHBondContact O-N 3.29Å; I182-D184 VanDerWaalsContact C-N 3.33Å; I182-D184 PolarHBondContact O-N 3.34Å; D184-K187 PolarHBondContact O-N 2.94Å; D184-K187 IonicContact OD1-NZ 3.2Å; D184-K187 PolarHBondContact OD1-NZ 3.37Å; D184-K188 PolarHBondContact O-N 3.3Å
185	F	69.6	Low	65.2	Low	117 Å²	117	100 Å²	100	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-44.2	170.1	-174.6	-103	0	0	0	112	I166 S181 I182 K187 K188 M189	I166-F185 HydrophobicContact CD1-CD1 3.95Å; S181-F185 PolarHBondContact O-N 3.15Å; I182-F185 PolarHBondContact O-N 3.02Å; F185-K187 PolarHBondContact O-N 2.8Å; F185-K188 WeakPolarHBondContact O-CB 3.5Å; F185-K188 PolarHBondContact O-N 3.31Å; F185-K188 VanDerWaalsContact O-N 3.1Å; F185-M189 HydrophobicContact CD1-CG 4.39Å; F185-M189 HydrophobicContact CD1-SD 3.93Å; F185-M189 HydrophobicContact CE1-CG 4.04Å; F185-M189 HydrophobicContact CE1-SD 3.32Å; F185-M189 WeakPolarHBondContact CE1-SD 3.33Å; F185-M189 HydrophobicContact CZ-CG 4.24Å; F185-M189 HydrophobicContact CZ-SD 3.89Å; F185-M189 PolarHBondContact O-N 3.44Å
186	Q	69.7	Low	64.5	Low	93 Å²	93	101.3 Å²	101.3	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-44	175.7	-171.6	-174.6	3.5	0	0	111.9	I166 I182 I183 K188 M189 L190	I166-Q186 HydrophobicContact CD1-CB 3.7Å; I166-Q186 HydrophobicContact CD1-CG 4.11Å; I182-Q186 VanDerWaalsContact O-CB 3.28Å; I182-Q186 WeakPolarHBondContact O-CB 3.41Å; I182-Q186 PolarHBondContact O-N 3.43Å; I183-Q186 PolarHBondContact O-N 3.4Å; Q186-K188 VanDerWaalsContact C-N 3.28Å; Q186-K188 PolarHBondContact O-N 3.4Å; Q186-M189 PolarHBondContact O-N 2.83Å; Q186-L190 HydrophobicContact CG-CD1 4.25Å; Q186-L190 WeakPolarHBondContact O-CB 3.25Å; Q186-L190 WeakPolarHBondContact O-CG 3.45Å; Q186-L190 PolarHBondContact O-N 2.62Å
187	K	67.2	Low	63.6	Low	103 Å²	103	98.6 Å²	98.6	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-35.4	175.5	-73.8	172.9	-162	150.1	0	112.1	I183 D184 F185 R191	I183-K187 VanDerWaalsContact O-CG 3.32Å; I183-K187 WeakPolarHBondContact O-CG 3.24Å; I183-K187 PolarHBondContact O-N 3.26Å; D184-K187 PolarHBondContact O-N 2.94Å; D184-K187 IonicContact OD1-NZ 3.2Å; D184-K187 PolarHBondContact OD1-NZ 3.37Å; F185-K187 PolarHBondContact O-N 2.8Å; K187-R191 WeakPolarHBondContact O-CB 3.41Å; K187-R191 PolarHBondContact O-N 2.74Å
188	K	71.9	Confident	62.9	Low	99 Å²	99	101 Å²	101	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-50.4	176.6	-175.3	177.8	177.2	174.9	0	110.7	D184 F185 Q186 L190 R191 E192	D184-K188 PolarHBondContact O-N 3.3Å; F185-K188 WeakPolarHBondContact O-CB 3.5Å; F185-K188 PolarHBondContact O-N 3.31Å; F185-K188 VanDerWaalsContact O-N 3.1Å; Q186-K188 VanDerWaalsContact C-N 3.28Å; Q186-K188 PolarHBondContact O-N 3.4Å; K188-L190 VanDerWaalsContact C-N 3.35Å; K188-L190 PolarHBondContact O-N 2.93Å; K188-R191 WeakPolarHBondContact O-CB 3.49Å; K188-R191 PolarHBondContact O-N 2.91Å; K188-R191 VanDerWaalsContact O-N 3.1Å; K188-E192 PolarHBondContact O-N 3.25Å
189	M	68.8	Low	62.2	Low	39 Å²	39	100 Å²	100	19%	0.192	50%	0.499	C	S	.	.	H	α-helix	trans	-59.8	-43.5	177.2	-63.9	-174.5	84.3	0	0	112.2	D163 I166 F185 Q186 R191 E192 R193	D163-M189 WeakPolarHBondContact O-CE 3.16Å; I166-M189 HydrophobicContact CG1-SD 4.42Å; F185-M189 HydrophobicContact CD1-CG 4.39Å; F185-M189 HydrophobicContact CD1-SD 3.93Å; F185-M189 HydrophobicContact CE1-CG 4.04Å; F185-M189 HydrophobicContact CE1-SD 3.32Å; F185-M189 WeakPolarHBondContact CE1-SD 3.33Å; F185-M189 HydrophobicContact CZ-CG 4.24Å; F185-M189 HydrophobicContact CZ-SD 3.89Å; F185-M189 PolarHBondContact O-N 3.44Å; Q186-M189 PolarHBondContact O-N 2.83Å; M189-R191 VanDerWaalsContact C-N 3.31Å; M189-R191 PolarHBondContact O-N 3.2Å; M189-E192 PolarHBondContact O-N 3.22Å; M189-R193 PolarHBondContact O-N 3.03Å
190	L	65.4	Low	61.3	Low	74 Å²	74	102.8 Å²	102.8	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-38.9	175	-76.9	167.5	0	0	0	112.5	Q186 K188 R193 L194	Q186-L190 HydrophobicContact CG-CD1 4.25Å; Q186-L190 WeakPolarHBondContact O-CB 3.25Å; Q186-L190 WeakPolarHBondContact O-CG 3.45Å; Q186-L190 PolarHBondContact O-N 2.62Å; K188-L190 VanDerWaalsContact C-N 3.35Å; K188-L190 PolarHBondContact O-N 2.93Å; L190-R193 PolarHBondContact O-N 3.42Å; L190-L194 PolarHBondContact O-N 2.93Å; L190-L194 VanDerWaalsContact O-N 3.14Å
191	R	66.5	Low	60.3	Low	176 Å²	176	99.7 Å²	99.7	66%	0.664	49%	0.492	S	S	*	.	H	α-helix	trans	-70.3	-35.4	178.4	-170	-177.2	-66.2	165.8	0.6	112	K187 K188 M189 L194 R195	K187-R191 WeakPolarHBondContact O-CB 3.41Å; K187-R191 PolarHBondContact O-N 2.74Å; K188-R191 WeakPolarHBondContact O-CB 3.49Å; K188-R191 PolarHBondContact O-N 2.91Å; K188-R191 VanDerWaalsContact O-N 3.1Å; M189-R191 VanDerWaalsContact C-N 3.31Å; M189-R191 PolarHBondContact O-N 3.2Å; R191-L194 PolarHBondContact O-N 3.24Å; R191-R195 PolarHBondContact O-N 3.19Å
192	E	65.8	Low	59.4	Low	106 Å²	106	102.1 Å²	102.1	50%	0.495	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-41.4	173.8	-76.3	177.6	179.8	0	0	111.4	K188 M189 L194 R195	K188-E192 PolarHBondContact O-N 3.25Å; M189-E192 PolarHBondContact O-N 3.22Å; E192-L194 VanDerWaalsContact C-N 3.25Å; E192-L194 PolarHBondContact O-N 3.4Å; E192-R195 WeakPolarHBondContact O-CB 3.37Å; E192-R195 PolarHBondContact O-N 2.84Å
193	R	62.8	Low	57.8	Low	44 Å²	44	109.1 Å²	109.1	17%	0.166	53%	0.527	C	S	.	.	H	α-helix	trans	-61.9	-31.7	173.2	-165.9	176.1	-176.1	-161.9	-2.1	113.1	D138 V140 E144 M189 L190 R195	D138-R193 IonicContact OD2-CZ 3.29Å; D138-R193 IonicContact OD2-NH1 2.85Å; D138-R193 PolarHBondContact OD2-NH1 3.25Å; D138-R193 IonicContact OD2-NH2 3.68Å; V140-R193 HydrophobicContact CG1-CG 4.32Å; V140-R193 VanDerWaalsContact CG1-CZ 3.45Å; E144-R193 IonicContact OE1-NH2 2.69Å; E144-R193 IonicContact OE2-NH2 2.9Å; E144-R193 PolarHBondContact OE2-NH2 3.42Å; M189-R193 PolarHBondContact O-N 3.03Å; L190-R193 PolarHBondContact O-N 3.42Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R193-R195 PolarHBondContact O-N 3.24Å
194	L	57.4	Low	56.2	Low	102 Å²	102	109 Å²	109	53%	0.534	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.4	178.4	-98.2	145.9	0	0	0	114.4	W139 L190 R191 E192	W139-L194 HydrophobicContact CH2-CD2 4.1Å; W139-L194 HydrophobicContact CZ2-CD1 4.42Å; W139-L194 HydrophobicContact CZ2-CD2 3.89Å; W139-L194 HydrophobicContact CZ2-CG 4.27Å; L190-L194 PolarHBondContact O-N 2.93Å; L190-L194 VanDerWaalsContact O-N 3.14Å; R191-L194 PolarHBondContact O-N 3.24Å; E192-L194 VanDerWaalsContact C-N 3.25Å; E192-L194 PolarHBondContact O-N 3.4Å
195	R	50.6	Low	54.4	Low	173 Å²	173	112.7 Å²	112.7	65%	0.653	56%	0.556	S	S	*	*	S	Bend	trans	-68.5	135	178	-82.6	-175.5	174.2	173.6	0.7	111.2	R191 E192 R193 T197	R191-R195 PolarHBondContact O-N 3.19Å; E192-R195 WeakPolarHBondContact O-CB 3.37Å; E192-R195 PolarHBondContact O-N 2.84Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R193-R195 PolarHBondContact O-N 3.24Å; R195-T197 VanDerWaalsContact C-N 3.35Å; R195-T197 PolarHBondContact O-N 3.09Å
196	P	47.9	Very low	52.5	Low	126 Å²	126	111.6 Å²	111.6	82%	0.818	57%	0.568	S	S	*	*	S	Bend	trans	-81	79.5	-170	34.1	-34.5	0	0	0	110.4
197	T	41.8	Very low	50.6	Low	129 Å²	129	111.2 Å²	111.2	79%	0.791	58%	0.582	S	S	*	*			trans	-103.1	-21.5	166.9	-26.8	0	0	0	0	111.4	R195	R195-T197 VanDerWaalsContact C-N 3.35Å; R195-T197 PolarHBondContact O-N 3.09Å
198	D	45.9	Very low	48.9	Very low	105 Å²	105	114.4 Å²	114.4	56%	0.561	60%	0.603	S	S	*	*			trans	-101.3	104.2	176.8	-86.5	-45.1	0	0	0	112.6	R200 L201	D198-R200 PolarHBondContact O-N 3.49Å; D198-L201 HydrophobicContact CB-CD1 4.41Å; D198-L201 PolarHBondContact O-N 2.97Å
199	T	46.5	Very low	47	Very low	117 Å²	117	114 Å²	114	72%	0.718	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-55.2	-4.1	169.2	22	0	0	0	0	114.9	L202	T199-L202 HydrophobicContact CG2-CD1 4.43Å
200	R	48.2	Very low	45.1	Very low	126 Å²	126	116 Å²	116	48%	0.475	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-83	-17.2	179.9	-54.6	178.4	98.5	139.1	-3.5	113.3	L147 D198 L202	L147-R200 HydrophobicContact CD1-CB 3.84Å; D198-R200 PolarHBondContact O-N 3.49Å; R200-L202 VanDerWaalsContact C-N 3.27Å; R200-L202 PolarHBondContact O-N 2.96Å
201	L	47	Very low	43.5	Very low	71 Å²	71	118.4 Å²	118.4	37%	0.372	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-80.5	-0.7	-179	-65.1	168.3	0	0	0	114	L143 D198 F203	L143-L201 HydrophobicContact CD2-CD2 3.29Å; L143-L201 HydrophobicContact CG-CD2 4.05Å; D198-L201 HydrophobicContact CB-CD1 4.41Å; D198-L201 PolarHBondContact O-N 2.97Å; L201-F203 VanDerWaalsContact C-N 3.33Å; L201-F203 PolarHBondContact O-N 3.14Å
202	L	47.4	Very low	42	Very low	134 Å²	134	118 Å²	118	70%	0.702	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-81.2	0.6	-175	-94.8	147.9	0	0	0	115.3	T199 R200	T199-L202 HydrophobicContact CG2-CD1 4.43Å; R200-L202 VanDerWaalsContact C-N 3.27Å; R200-L202 PolarHBondContact O-N 2.96Å
203	F	36.9	Very low	40.5	Very low	200 Å²	200	115.3 Å²	115.3	88%	0.877	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-94.6	5.4	-170.4	-94.4	-80.6	0	0	0	116.3	L201	L201-F203 VanDerWaalsContact C-N 3.33Å; L201-F203 PolarHBondContact O-N 3.14Å
204	G	34.3	Very low	39.4	Very low	63 Å²	63	119 Å²	119	65%	0.649	70%	0.698	S	S	*	*	S	Bend	trans	-115.2	107.2	172.4	0	0	0	0	0	110.6
205	E	30.3	Very low	39.3	Very low	169 Å²	169	122.7 Å²	122.7	79%	0.79	71%	0.709	S	S	*	*			trans	26.2	92.1	170.5	-72.3	-178.6	147	0	0	116	A207	E205-A207 PolarHBondContact O-N 2.75Å
206	A	29.7	Very low	39.6	Very low	94 Å²	94	120.9 Å²	120.9	78%	0.777	71%	0.708	S	S	*	*			trans	-60.7	84.8	150.8	0	0	0	0	0	108.7	D208	A206-D208 PolarHBondContact O-N 3.22Å
207	A	31.2	Very low	40.4	Very low	86 Å²	86	118.5 Å²	118.5	71%	0.711	69%	0.689	S	S	*	*			trans	-60.7	122.2	146.3	0	0	0	0	0	106	E205 A209	E205-A207 PolarHBondContact O-N 2.75Å; A207-A209 VanDerWaalsContact C-N 3.27Å; A207-A209 PolarHBondContact O-N 3.06Å
208	D	29.6	Very low	41.5	Very low	170 Å²	170	113.9 Å²	113.9	91%	0.909	66%	0.66	S	S	*	*			trans	-45.3	80.6	179.1	-76.5	-49.8	0	0	0	113.6	A206	A206-D208 PolarHBondContact O-N 3.22Å
209	A	32.3	Very low	42.8	Very low	90 Å²	90	109.6 Å²	109.6	74%	0.744	64%	0.637	S	S	*	*			trans	-99.9	82.5	159.6	0	0	0	0	0	106.1	A207	A207-A209 VanDerWaalsContact C-N 3.27Å; A207-A209 PolarHBondContact O-N 3.06Å
210	A	29.5	Very low	44	Very low	80 Å²	80	105.8 Å²	105.8	66%	0.661	62%	0.618	S	S	*	*			trans	-46	135.4	159.2	0	0	0	0	0	107.7	E212	A210-E212 PolarHBondContact O-N 3.19Å
211	P	32.6	Very low	45.4	Very low	125 Å²	125	106.9 Å²	106.9	81%	0.812	62%	0.622	S	S	*	*			trans	-54.6	115	176.6	21.6	-30.7	0	0	0	107.2	G213	P211-G213 VanDerWaalsContact C-N 3.32Å; P211-G213 PolarHBondContact O-N 3.43Å
212	E	35.2	Very low	46.8	Very low	167 Å²	167	105.8 Å²	105.8	78%	0.78	62%	0.619	S	S	*	*			trans	-56.4	103.4	173.3	-82.8	-166	155	0	0	106	A210	A210-E212 PolarHBondContact O-N 3.19Å
213	G	32.9	Very low	48.2	Very low	50 Å²	50	102.9 Å²	102.9	52%	0.515	62%	0.621	S	S	.	*			trans	-52.9	152	172.4	0	0	0	0	0	109.1	P211 K215	P211-G213 VanDerWaalsContact C-N 3.32Å; P211-G213 PolarHBondContact O-N 3.43Å; G213-K215 PolarHBondContact O-N 3.39Å
214	P	40.9	Very low	50.4	Low	123 Å²	123	101.7 Å²	101.7	80%	0.799	61%	0.612	S	S	*	*			trans	-50.6	121.5	179.2	20.2	-30.7	0	0	0	108.8	E216	P214-E216 PolarHBondContact O-N 3.14Å
215	K	54.2	Low	52.9	Low	178 Å²	178	103.5 Å²	103.5	77%	0.774	61%	0.612	S	S	*	*			trans	-55.3	103.8	178.8	-81.9	178.4	179.5	167.2	0	107.9	G213 D217	G213-K215 PolarHBondContact O-N 3.39Å; K215-D217 PolarHBondContact O-N 3.33Å; K215-D217 VanDerWaalsContact O-N 3.15Å
216	E	57	Low	55.5	Low	135 Å²	135	98.7 Å²	98.7	63%	0.631	59%	0.589	S	S	*	*			trans	-61.4	121.3	180	-73.5	-170.3	179.2	0	0	109.3	P214 P218 K231	P214-E216 PolarHBondContact O-N 3.14Å; E216-P218 WeakPolarHBondContact O-CD 3.47Å; E216-K231 WeakPolarHBondContact OE2-CE 3.35Å; E216-K231 IonicContact OE2-NZ 3.18Å; E216-K231 PolarHBondContact OE2-NZ 3.21Å
217	D	64.6	Low	58.1	Low	77 Å²	77	95 Å²	95	41%	0.412	56%	0.559	S	S	.	*			trans	-65.6	118.7	176.2	-172.8	-29.8	0	0	0	109.2	K215 L219 A220 R361	K215-D217 PolarHBondContact O-N 3.33Å; K215-D217 VanDerWaalsContact O-N 3.15Å; D217-L219 PolarHBondContact O-N 3.03Å; D217-L219 WeakPolarHBondContact OD1-CB 3.39Å; D217-L219 PolarHBondContact OD1-N 3.47Å; D217-A220 HydrophobicContact CB-CB 4.33Å; D217-A220 PolarHBondContact O-N 3.35Å; D217-R361 IonicContact OD1-CZ 3.01Å; D217-R361 IonicContact OD1-NH2 3.06Å; D217-R361 PolarHBondContact OD1-NH2 2.87Å; D217-R361 IonicContact OD2-CZ 2.72Å; D217-R361 IonicContact OD2-NH2 3.55Å; D217-R361 PolarHBondContact OD2-NH2 3.35Å
218	P	65.8	Low	60.6	Low	31 Å²	31	91 Å²	91	20%	0.201	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.1	-176.9	27.5	-34.1	0	0	0	113.4	E216 F573	E216-P218 WeakPolarHBondContact O-CD 3.47Å; P218-F573 HydrophobicContact CB-CD2 4.17Å; P218-F573 HydrophobicContact CB-CE2 4.1Å; P218-F573 HydrophobicContact CG-CD2 4.36Å; P218-F573 HydrophobicContact CG-CE2 3.82Å
219	L	72.4	Confident	63.4	Low	15 Å²	15	84.5 Å²	84.5	8%	0.079	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	5	-176.8	-68.6	151.4	0	0	0	112.5	D217 S357 V360 R361 L558 F573	D217-L219 PolarHBondContact O-N 3.03Å; D217-L219 WeakPolarHBondContact OD1-CB 3.39Å; D217-L219 PolarHBondContact OD1-N 3.47Å; L219-S357 WeakPolarHBondContact CD2-O 3.4Å; L219-V360 HydrophobicContact CD2-CB 4.32Å; L219-R361 VanDerWaalsContact C-CZ 3.48Å; L219-R361 HydrophobicContact CB-CG 4.02Å; L219-R361 HydrophobicContact CD1-CG 4.21Å; L219-R361 VanDerWaalsContact O-CZ 3.25Å; L219-R361 PolarHBondContact O-NE 3.47Å; L219-R361 PolarHBondContact O-NH2 2.92Å; L219-L558 HydrophobicContact CD1-CD2 4.12Å; L219-F573 HydrophobicContact CD1-CE2 4.38Å; L219-F573 HydrophobicContact CD1-CZ 4.37Å; L219-F573 HydrophobicContact CD2-CB 4.26Å; L219-F573 HydrophobicContact CD2-CD1 4.23Å; L219-F573 HydrophobicContact CD2-CD2 4.12Å; L219-F573 HydrophobicContact CD2-CG 3.95Å; L219-F573 HydrophobicContact CG-CD2 4.17Å; L219-F573 HydrophobicContact CG-CE2 4.25Å; L219-F573 HydrophobicContact CG-CG 4.5Å
220	A	72.6	Confident	66.1	Low	38 Å²	38	84.2 Å²	84.2	31%	0.314	48%	0.481	S	S	.	.			trans	-73.7	132.5	-176.6	0	0	0	0	0	110.4	D217 T222	D217-A220 HydrophobicContact CB-CB 4.33Å; D217-A220 PolarHBondContact O-N 3.35Å; A220-T222 PolarHBondContact O-N 3.32Å
221	R	76.8	Confident	68.8	Low	148 Å²	148	83.6 Å²	83.6	56%	0.558	46%	0.463	S	S	*	.			trans	-64	131.7	177.9	-80.3	-173.3	169	176	-2.6	110.7	E355 F358	R221-E355 WeakPolarHBondContact CA-OE2 3.3Å; R221-E355 WeakPolarHBondContact CB-OE2 3.28Å; R221-F358 HydrophobicContact CG-CB 4.15Å; R221-F358 HydrophobicContact CG-CD2 3.95Å; R221-F358 HydrophobicContact CG-CG 4.04Å
222	T	76.9	Confident	71.5	Confident	48 Å²	48	77.8 Å²	77.8	29%	0.294	43%	0.425	S	S	.	.			trans	-95	-18.5	177.8	75.5	0	0	0	0	112.2	A220 Y224 G227 E355	A220-T222 PolarHBondContact O-N 3.32Å; T222-Y224 VanDerWaalsContact C-N 3.28Å; T222-Y224 WeakPolarHBondContact O-CD2 3.24Å; T222-Y224 PolarHBondContact O-N 3.4Å; T222-G227 VanDerWaalsContact OG1-CA 3.29Å; T222-G227 WeakPolarHBondContact OG1-CA 3.41Å; T222-E355 WeakPolarHBondContact CB-OE1 3.23Å; T222-E355 PolarHBondContact N-OE1 3.49Å; T222-E355 PolarHBondContact N-OE2 3.3Å; T222-E355 PolarHBondContact OG1-OE1 3.39Å
223	G	76.8	Confident	74	Confident	73 Å²	73	72.9 Å²	72.9	75%	0.753	40%	0.404	S	S	*	.	S	Bend	trans	81	-0.9	176.4	0	0	0	0	0	115.1
224	Y	83.5	Confident	76.6	Confident	175 Å²	175	77 Å²	77	69%	0.686	41%	0.407	S	S	*	.	S	Bend	trans	-111.8	144.8	175.1	-60.7	-82	0	0	0	110.7	T222 F226 G227	T222-Y224 VanDerWaalsContact C-N 3.28Å; T222-Y224 WeakPolarHBondContact O-CD2 3.24Å; T222-Y224 PolarHBondContact O-N 3.4Å; Y224-F226 PolarHBondContact O-N 3.36Å; Y224-G227 PolarHBondContact O-N 2.98Å
225	P	85.4	Confident	78.7	Confident	101 Å²	101	75.7 Å²	75.7	66%	0.656	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	134	177	26.1	-33.5	0	0	0	110.3	G227 A353	P225-G227 PolarHBondContact O-N 3.19Å; P225-A353 WeakPolarHBondContact CA-O 3.42Å
226	F	86.3	Confident	80.3	Confident	69 Å²	69	67.7 Å²	67.7	30%	0.303	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	9.1	-173.8	-57.7	-84.8	0	0	0	116.1	Y224 G228 M229 V230 I349 V352 A353	Y224-F226 PolarHBondContact O-N 3.36Å; F226-G228 PolarHBondContact O-N 2.87Å; F226-M229 HydrophobicContact CB-CE 4.13Å; F226-M229 HydrophobicContact CD1-CE 3.96Å; F226-M229 HydrophobicContact CD1-SD 4.16Å; F226-M229 HydrophobicContact CG-CE 4.37Å; F226-M229 WeakPolarHBondContact O-CB 3.42Å; F226-M229 PolarHBondContact O-N 3.3Å; F226-M229 VanDerWaalsContact O-N 3.13Å; F226-V230 PolarHBondContact O-N 3.04Å; F226-I349 HydrophobicContact CZ-CG2 4.18Å; F226-V352 HydrophobicContact CD1-CG1 4.07Å; F226-V352 HydrophobicContact CE1-CG1 4.37Å; F226-A353 HydrophobicContact CD2-CB 4.26Å; F226-A353 HydrophobicContact CE1-CB 4.07Å; F226-A353 HydrophobicContact CE2-CB 3.77Å; F226-A353 HydrophobicContact CZ-CB 3.66Å; F226-A353 PolarHBondContact N-O 3.37Å
227	G	83.6	Confident	81.6	Confident	15 Å²	15	69.8 Å²	69.8	16%	0.155	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-41.6	-176.1	0	0	0	0	0	113.3	T222 Y224 P225 M229 V230 K231	T222-G227 VanDerWaalsContact OG1-CA 3.29Å; T222-G227 WeakPolarHBondContact OG1-CA 3.41Å; Y224-G227 PolarHBondContact O-N 2.98Å; P225-G227 PolarHBondContact O-N 3.19Å; G227-M229 VanDerWaalsContact C-N 3.34Å; G227-M229 PolarHBondContact O-N 3.42Å; G227-V230 PolarHBondContact O-N 2.93Å; G227-K231 WeakPolarHBondContact O-CB 3.31Å; G227-K231 PolarHBondContact O-N 3.25Å
228	G	84.6	Confident	82.6	Confident	4 Å²	4	75 Å²	75	4%	0.041	37%	0.369	C	S	.	.	H	α-helix	trans	-56.9	-41.4	171.5	0	0	0	0	0	114	F226 K231 D232 E355	F226-G228 PolarHBondContact O-N 2.87Å; G228-K231 PolarHBondContact O-N 2.67Å; G228-D232 VanDerWaalsContact O-CG 3.31Å; G228-D232 PolarHBondContact O-N 3.49Å; G228-E355 PolarHBondContact N-OE1 3.29Å
229	M	87.8	Confident	83.7	Confident	32 Å²	32	76.9 Å²	76.9	16%	0.158	38%	0.375	C	S	.	.	H	α-helix	trans	-66.1	-45.4	177.7	-178.4	-170.3	76.5	0	0	112.1	F226 G227 K231 D232 I233 V352 H574 F575 L578	F226-M229 HydrophobicContact CB-CE 4.13Å; F226-M229 HydrophobicContact CD1-CE 3.96Å; F226-M229 HydrophobicContact CD1-SD 4.16Å; F226-M229 HydrophobicContact CG-CE 4.37Å; F226-M229 WeakPolarHBondContact O-CB 3.42Å; F226-M229 PolarHBondContact O-N 3.3Å; F226-M229 VanDerWaalsContact O-N 3.13Å; G227-M229 VanDerWaalsContact C-N 3.34Å; G227-M229 PolarHBondContact O-N 3.42Å; M229-K231 VanDerWaalsContact C-N 3.26Å; M229-K231 PolarHBondContact O-N 3.35Å; M229-D232 PolarHBondContact O-N 3.41Å; M229-I233 HydrophobicContact CG-CD1 4.07Å; M229-I233 WeakPolarHBondContact O-CG1 3.5Å; M229-I233 PolarHBondContact O-N 3.16Å; M229-V352 HydrophobicContact CB-CG1 4.11Å; M229-V352 HydrophobicContact SD-CG1 4.25Å; M229-H574 HydrophobicContact CB-CB 4.21Å; M229-F575 HydrophobicContact CG-CB 4.27Å; M229-F575 HydrophobicContact CG-CD2 3.93Å; M229-F575 HydrophobicContact SD-CD2 4.39Å; M229-L578 HydrophobicContact SD-CD2 3.49Å; M229-L578 WeakPolarHBondContact SD-CD2 3.42Å
230	V	88.4	Confident	84.4	Confident	84 Å²	84	79.3 Å²	79.3	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-37.3	178.7	175.5	0	0	0	0	110.6	F226 G227 I233 K234	F226-V230 PolarHBondContact O-N 3.04Å; G227-V230 PolarHBondContact O-N 2.93Å; V230-I233 PolarHBondContact O-N 3.36Å; V230-K234 VanDerWaalsContact O-CB 3.29Å; V230-K234 WeakPolarHBondContact O-CB 3.25Å; V230-K234 PolarHBondContact O-N 3.13Å
231	K	86.6	Confident	85.2	Confident	67 Å²	67	84.3 Å²	84.3	29%	0.291	40%	0.404	S	S	.	.	H	α-helix	trans	-63.5	-45.9	175.6	-167.9	177.3	-178.3	177.1	0	111.8	E216 G227 G228 M229 I233 K234 R235	E216-K231 WeakPolarHBondContact OE2-CE 3.35Å; E216-K231 IonicContact OE2-NZ 3.18Å; E216-K231 PolarHBondContact OE2-NZ 3.21Å; G227-K231 WeakPolarHBondContact O-CB 3.31Å; G227-K231 PolarHBondContact O-N 3.25Å; G228-K231 PolarHBondContact O-N 2.67Å; M229-K231 VanDerWaalsContact C-N 3.26Å; M229-K231 PolarHBondContact O-N 3.35Å; K231-I233 PolarHBondContact O-N 2.67Å; K231-K234 PolarHBondContact O-N 3.04Å; K231-R235 WeakPolarHBondContact O-CB 3.32Å; K231-R235 PolarHBondContact O-N 2.95Å
232	D	88.5	Confident	85.8	Confident	4 Å²	4	79.1 Å²	79.1	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-58.3	-47.5	176.5	-72.3	-12.5	0	0	0	111.4	G228 M229 R235 R236 G572 F573 H574 F575	G228-D232 VanDerWaalsContact O-CG 3.31Å; G228-D232 PolarHBondContact O-N 3.49Å; M229-D232 PolarHBondContact O-N 3.41Å; D232-R235 PolarHBondContact O-N 3.42Å; D232-R236 PolarHBondContact O-N 3.35Å; D232-R236 VanDerWaalsContact O-N 3.09Å; D232-G572 WeakPolarHBondContact OD2-CA 3.2Å; D232-F573 PolarHBondContact OD2-N 2.8Å; D232-H574 WeakPolarHBondContact OD2-CB 3.38Å; D232-H574 IonicContact OD2-CG 3.91Å; D232-H574 PolarHBondContact OD2-N 2.96Å; D232-H574 IonicContact OD2-ND1 3.84Å; D232-H574 PolarHBondContact OD2-ND1 3.32Å; D232-F575 HydrophobicContact CB-CB 4.06Å; D232-F575 PolarHBondContact OD2-N 2.75Å
233	I	88.1	Confident	86.5	Confident	64 Å²	64	76.9 Å²	76.9	33%	0.328	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-48.7	178.7	-65.5	168.4	0	0	0	110.8	M229 V230 K231 R235 R236 Y237 F575	M229-I233 HydrophobicContact CG-CD1 4.07Å; M229-I233 WeakPolarHBondContact O-CG1 3.5Å; M229-I233 PolarHBondContact O-N 3.16Å; V230-I233 PolarHBondContact O-N 3.36Å; K231-I233 PolarHBondContact O-N 2.67Å; I233-R235 VanDerWaalsContact C-N 3.26Å; I233-R235 PolarHBondContact O-N 3.1Å; I233-R236 PolarHBondContact O-N 3.46Å; I233-Y237 VanDerWaalsContact O-CB 3.24Å; I233-Y237 WeakPolarHBondContact O-CB 3.43Å; I233-Y237 PolarHBondContact O-N 3.17Å; I233-F575 HydrophobicContact CD1-CD2 3.6Å; I233-F575 HydrophobicContact CD1-CE2 3.67Å; I233-F575 HydrophobicContact CD1-CG 4.31Å; I233-F575 HydrophobicContact CD1-CZ 4.42Å; I233-F575 HydrophobicContact CG1-CB 4.35Å; I233-F575 HydrophobicContact CG1-CD1 4.29Å; I233-F575 HydrophobicContact CG1-CD2 3.64Å; I233-F575 HydrophobicContact CG1-CE2 3.91Å; I233-F575 HydrophobicContact CG1-CG 3.83Å; I233-F575 HydrophobicContact CG1-CZ 4.33Å
234	K	88.1	Confident	87.2	Confident	136 Å²	136	77 Å²	77	59%	0.591	36%	0.355	S	S	*	.	H	α-helix	trans	-61.6	-35.7	-177.8	-172.4	177.6	-178.1	-179.5	0	112	V230 K231	V230-K234 VanDerWaalsContact O-CB 3.29Å; V230-K234 WeakPolarHBondContact O-CB 3.25Å; V230-K234 PolarHBondContact O-N 3.13Å; K231-K234 PolarHBondContact O-N 3.04Å
235	R	84.3	Confident	87.5	Confident	96 Å²	96	73.4 Å²	73.4	36%	0.362	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-49.5	175.9	-174.8	179	179.7	-175.4	1	111.3	K231 D232 I233	K231-R235 WeakPolarHBondContact O-CB 3.32Å; K231-R235 PolarHBondContact O-N 2.95Å; D232-R235 PolarHBondContact O-N 3.42Å; I233-R235 VanDerWaalsContact C-N 3.26Å; I233-R235 PolarHBondContact O-N 3.1Å
236	R	87.9	Confident	87.6	Confident	10 Å²	10	71.8 Å²	71.8	4%	0.038	34%	0.337	C	S	.	.	H	α-helix	trans	-76.6	-36.3	-174.6	-167.6	67.9	-179.3	-159.2	6.9	113.6	D232 I233 R238 H239 Y240 D243 A303 G570 E625	D232-R236 PolarHBondContact O-N 3.35Å; D232-R236 VanDerWaalsContact O-N 3.09Å; I233-R236 PolarHBondContact O-N 3.46Å; R236-R238 PolarHBondContact O-N 2.84Å; R236-R238 VanDerWaalsContact O-N 3.14Å; R236-H239 PolarHBondContact O-N 3.23Å; R236-Y240 PolarHBondContact O-N 2.89Å; R236-D243 IonicContact CZ-OD1 2.74Å; R236-D243 IonicContact CZ-OD2 2.62Å; R236-D243 IonicContact NE-OD2 2.67Å; R236-D243 PolarHBondContact NE-OD2 2.8Å; R236-D243 VanDerWaalsContact NH2-CG 3.33Å; R236-D243 IonicContact NH2-OD1 2.93Å; R236-D243 PolarHBondContact NH2-OD1 3.42Å; R236-D243 VanDerWaalsContact NH2-OD1 3.11Å; R236-D243 IonicContact NH2-OD2 3.49Å; R236-D243 PolarHBondContact NH2-OD2 3.15Å; R236-A303 HydrophobicContact CB-CB 4.45Å; R236-A303 WeakPolarHBondContact CD-O 3.48Å; R236-A303 WeakPolarHBondContact CG-O 3.29Å; R236-A303 PolarHBondContact NE-O 3.24Å; R236-A303 VanDerWaalsContact NE-O 3.16Å; R236-A303 PolarHBondContact NH1-O 3.05Å; R236-G570 PolarHBondContact NH1-O 3.38Å; R236-G570 VanDerWaalsContact NH1-O 3.13Å; R236-E625 IonicContact NH1-OE1 2.96Å; R236-E625 PolarHBondContact NH1-OE1 3.48Å
237	Y	84.4	Confident	87.7	Confident	179 Å²	179	69 Å²	69	70%	0.702	33%	0.327	S	S	*	.	H	α-helix	trans	-57.9	-33.1	-174.6	-172.8	-105.3	0	0	0	112.9	I233 H239 Y240	I233-Y237 VanDerWaalsContact O-CB 3.24Å; I233-Y237 WeakPolarHBondContact O-CB 3.43Å; I233-Y237 PolarHBondContact O-N 3.17Å; Y237-H239 PolarHBondContact O-N 2.84Å; Y237-Y240 WeakPolarHBondContact O-CB 3.14Å; Y237-Y240 PolarHBondContact O-N 2.9Å
238	R	86.9	Confident	87.9	Confident	187 Å²	187	75.4 Å²	75.4	71%	0.706	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.4	175.7	-67.2	178.6	179	-177.5	-3	113.6	R236	R236-R238 PolarHBondContact O-N 2.84Å; R236-R238 VanDerWaalsContact O-N 3.14Å
239	H	87.1	Confident	87.9	Confident	70 Å²	70	78.3 Å²	78.3	32%	0.324	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	8	-177.8	-57.9	-61.9	0	0	0	112.9	R236 Y237 L241 S242 D243 K569	R236-H239 PolarHBondContact O-N 3.23Å; Y237-H239 PolarHBondContact O-N 2.84Å; H239-L241 PolarHBondContact O-N 3.4Å; H239-S242 PolarHBondContact O-N 2.91Å; H239-S242 PolarHBondContact O-OG 2.95Å; H239-D243 PolarHBondContact O-N 3.44Å; H239-K569 HydrophobicContact CB-CB 4.22Å; H239-K569 HydrophobicContact CB-CD 3.97Å; H239-K569 HydrophobicContact CB-CG 4.07Å
240	Y	87.9	Confident	87.6	Confident	66 Å²	66	82 Å²	82	26%	0.259	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-44	-175.4	-167.5	-91.6	0	0	0	112.8	R236 Y237 D243 Y244 L300 R627	R236-Y240 PolarHBondContact O-N 2.89Å; Y237-Y240 WeakPolarHBondContact O-CB 3.14Å; Y237-Y240 PolarHBondContact O-N 2.9Å; Y240-D243 WeakPolarHBondContact O-CB 3.49Å; Y240-D243 PolarHBondContact O-N 2.87Å; Y240-Y244 HydrophobicContact CD1-CE2 4.16Å; Y240-Y244 AromaticContact CE1-CE2 3.67Å; Y240-Y244 HydrophobicContact CE1-CE2 3.67Å; Y240-L300 VanDerWaalsContact CE2-O 3.25Å; Y240-L300 WeakPolarHBondContact CE2-O 3.5Å; Y240-L300 PolarHBondContact OH-O 3.11Å; Y240-R627 VanDerWaalsContact CE2-CZ 3.43Å
241	L	88.6	Confident	87.2	Confident	142 Å²	142	80.6 Å²	80.6	74%	0.743	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-33	-179.9	-65.7	175.8	0	0	0	112.5	H239 D243 Y244	H239-L241 PolarHBondContact O-N 3.4Å; L241-D243 VanDerWaalsContact C-N 3.26Å; L241-D243 PolarHBondContact O-N 2.98Å; L241-Y244 PolarHBondContact O-N 2.78Å
242	S	90.6	Very high	87.2	Confident	40 Å²	40	77.6 Å²	77.6	28%	0.28	37%	0.373	S	S	.	.	H	α-helix	trans	-69.5	-25.5	178	63.8	0	0	0	0	112.4	H239 Y244 V245 D246 K569	H239-S242 PolarHBondContact O-N 2.91Å; H239-S242 PolarHBondContact O-OG 2.95Å; S242-Y244 PolarHBondContact O-N 3.34Å; S242-V245 PolarHBondContact O-N 3.34Å; S242-D246 WeakPolarHBondContact O-CB 3.41Å; S242-D246 PolarHBondContact O-N 3.23Å; S242-K569 PolarHBondContact OG-NZ 2.95Å
243	D	91.4	Very high	87	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-60.2	-28.8	174.9	-69.7	-15.9	0	0	0	113.3	R236 H239 Y240 L241 K569 Q626 R627	R236-D243 IonicContact CZ-OD1 2.74Å; R236-D243 IonicContact CZ-OD2 2.62Å; R236-D243 IonicContact NE-OD2 2.67Å; R236-D243 PolarHBondContact NE-OD2 2.8Å; R236-D243 VanDerWaalsContact NH2-CG 3.33Å; R236-D243 IonicContact NH2-OD1 2.93Å; R236-D243 PolarHBondContact NH2-OD1 3.42Å; R236-D243 VanDerWaalsContact NH2-OD1 3.11Å; R236-D243 IonicContact NH2-OD2 3.49Å; R236-D243 PolarHBondContact NH2-OD2 3.15Å; H239-D243 PolarHBondContact O-N 3.44Å; Y240-D243 WeakPolarHBondContact O-CB 3.49Å; Y240-D243 PolarHBondContact O-N 2.87Å; L241-D243 VanDerWaalsContact C-N 3.26Å; L241-D243 PolarHBondContact O-N 2.98Å; D243-K569 VanDerWaalsContact OD1-CD 3.24Å; D243-K569 WeakPolarHBondContact OD1-CD 3.32Å; D243-K569 IonicContact OD1-NZ 3.71Å; D243-K569 PolarHBondContact OD1-NZ 2.99Å; D243-Q626 VanDerWaalsContact O-CB 3.23Å; D243-Q626 WeakPolarHBondContact O-CB 3.43Å; D243-R627 HydrophobicContact CB-CG 3.92Å; D243-R627 IonicContact OD2-CZ 2.76Å; D243-R627 IonicContact OD2-NE 2.83Å; D243-R627 PolarHBondContact OD2-NE 3Å; D243-R627 IonicContact OD2-NH2 3.57Å
244	Y	90.7	Very high	86.6	Confident	76 Å²	76	82.8 Å²	82.8	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-82.7	-33.7	176.7	-71	-87.3	0	0	0	112.4	Y240 L241 S242 I628	Y240-Y244 HydrophobicContact CD1-CE2 4.16Å; Y240-Y244 AromaticContact CE1-CE2 3.67Å; Y240-Y244 HydrophobicContact CE1-CE2 3.67Å; L241-Y244 PolarHBondContact O-N 2.78Å; S242-Y244 PolarHBondContact O-N 3.34Å; Y244-I628 HydrophobicContact CD1-CD1 3.83Å; Y244-I628 HydrophobicContact CD1-CG1 3.96Å; Y244-I628 HydrophobicContact CE1-CG1 4.3Å
245	V	89.9	Confident	86.4	Confident	100 Å²	100	76.4 Å²	76.4	61%	0.606	38%	0.382	S	S	*	.	H	α-helix	trans	-70	-43.1	176.2	-179.3	0	0	0	0	110.4	S242 A247 L248	S242-V245 PolarHBondContact O-N 3.34Å; V245-A247 PolarHBondContact O-N 3.19Å; V245-L248 PolarHBondContact O-N 3.16Å
246	D	87.8	Confident	86.7	Confident	66 Å²	66	72.4 Å²	72.4	35%	0.353	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-67.6	-20	-179.9	-71.7	-29.7	0	0	0	113.1	S242 L248 K569 I624	S242-D246 WeakPolarHBondContact O-CB 3.41Å; S242-D246 PolarHBondContact O-N 3.23Å; D246-L248 VanDerWaalsContact C-N 3.26Å; D246-L248 PolarHBondContact O-N 3.39Å; D246-K569 VanDerWaalsContact OD2-CE 3.23Å; D246-K569 WeakPolarHBondContact OD2-CE 3.5Å; D246-K569 IonicContact OD2-NZ 3.88Å; D246-K569 PolarHBondContact OD2-NZ 3.49Å; D246-I624 HydrophobicContact CB-CG2 4.2Å; D246-I624 WeakPolarHBondContact O-CG2 3.41Å
247	A	89.3	Confident	86.5	Confident	12 Å²	12	75.5 Å²	75.5	10%	0.099	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-71.7	-16.2	177.2	0	0	0	0	0	114.3	V245 N249 Q626 I628	V245-A247 PolarHBondContact O-N 3.19Å; A247-N249 PolarHBondContact O-N 3.18Å; A247-Q626 HydrophobicContact CB-CB 3.99Å; A247-Q626 HydrophobicContact CB-CG 4.33Å; A247-I628 HydrophobicContact CB-CB 3.73Å; A247-I628 HydrophobicContact CB-CD1 3.33Å; A247-I628 HydrophobicContact CB-CG1 3.52Å
248	L	87.6	Confident	86.3	Confident	149 Å²	149	68.9 Å²	68.9	78%	0.78	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-74.9	1.3	-178.9	-70.7	168.2	0	0	0	113.7	V245 D246	V245-L248 PolarHBondContact O-N 3.16Å; D246-L248 VanDerWaalsContact C-N 3.26Å; D246-L248 PolarHBondContact O-N 3.39Å
249	N	83.7	Confident	86.3	Confident	64 Å²	64	60 Å²	60	34%	0.342	33%	0.326	S	S	.	.	S	Bend	trans	-72.4	133.1	177.1	-172.1	-41.9	0	0	0	111.1	A247 Q251 V252 I624	A247-N249 PolarHBondContact O-N 3.18Å; N249-Q251 PolarHBondContact O-N 3.41Å; N249-Q251 VanDerWaalsContact O-N 3.08Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.38Å; N249-Q251 PolarHBondContact OD1-N 3.29Å; N249-V252 HydrophobicContact CB-CG2 4.15Å; N249-V252 VanDerWaalsContact O-CB 3.25Å; N249-V252 WeakPolarHBondContact O-CB 3.5Å; N249-V252 WeakPolarHBondContact O-CG2 3.35Å; N249-V252 PolarHBondContact O-N 3.16Å; N249-I624 HydrophobicContact CB-CD1 4.13Å; N249-I624 VanDerWaalsContact ND2-CD1 3.32Å; N249-I624 WeakPolarHBondContact ND2-CD1 3.48Å
250	P	80.8	Confident	86.4	Confident	111 Å²	111	57.4 Å²	57.4	72%	0.721	31%	0.314	S	S	*	.	H	α-helix	trans	-57.1	-25.8	178.8	22.8	-35.5	0	0	0	114.3	V252 L253	P250-V252 PolarHBondContact O-N 3.44Å; P250-L253 PolarHBondContact O-N 3.37Å
251	Q	80.3	Confident	86	Confident	54 Å²	54	57.5 Å²	57.5	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-31.4	173.4	-177.8	170.7	-8.6	0	0	112.4	N249 L253 A254 A255 A608 T610 I624	N249-Q251 PolarHBondContact O-N 3.41Å; N249-Q251 VanDerWaalsContact O-N 3.08Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.38Å; N249-Q251 PolarHBondContact OD1-N 3.29Å; Q251-L253 VanDerWaalsContact C-N 3.33Å; Q251-L253 PolarHBondContact O-N 3.16Å; Q251-A254 PolarHBondContact O-N 3.3Å; Q251-A255 PolarHBondContact O-N 2.87Å; Q251-A608 PolarHBondContact NE2-O 3.3Å; Q251-T610 PolarHBondContact NE2-O 3.19Å; Q251-I624 HydrophobicContact CB-CD1 4.39Å
252	V	86.9	Confident	85.5	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-36.7	-179.9	-178.5	0	0	0	0	110.8	N249 P250 A255 I256 L609 I624 Q626	N249-V252 HydrophobicContact CB-CG2 4.15Å; N249-V252 VanDerWaalsContact O-CB 3.25Å; N249-V252 WeakPolarHBondContact O-CB 3.5Å; N249-V252 WeakPolarHBondContact O-CG2 3.35Å; N249-V252 PolarHBondContact O-N 3.16Å; P250-V252 PolarHBondContact O-N 3.44Å; V252-A255 WeakPolarHBondContact O-CB 3.44Å; V252-A255 PolarHBondContact O-N 3.34Å; V252-I256 HydrophobicContact CG1-CD1 4.13Å; V252-I256 VanDerWaalsContact O-CG1 3.28Å; V252-I256 WeakPolarHBondContact O-CG1 3.35Å; V252-I256 PolarHBondContact O-N 2.84Å; V252-L609 HydrophobicContact CG2-CD2 4.13Å; V252-I624 HydrophobicContact CG2-CG2 4.34Å; V252-Q626 HydrophobicContact CG1-CG 4.46Å; V252-Q626 HydrophobicContact CG2-CG 4.27Å
253	L	85.3	Confident	85.2	Confident	112 Å²	112	50.3 Å²	50.3	59%	0.586	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-43.8	176.3	-177.4	63.4	0	0	0	111.8	P250 Q251 A255 I256 I257	P250-L253 PolarHBondContact O-N 3.37Å; Q251-L253 VanDerWaalsContact C-N 3.33Å; Q251-L253 PolarHBondContact O-N 3.16Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 2.91Å; L253-I256 PolarHBondContact O-N 3.33Å; L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 3.45Å
254	A	78.9	Confident	84.9	Confident	65 Å²	65	51.1 Å²	51.1	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-40.2	174.9	0	0	0	0	0	111.5	Q251 I257 F258	Q251-A254 PolarHBondContact O-N 3.3Å; A254-I257 PolarHBondContact O-N 2.95Å; A254-F258 WeakPolarHBondContact O-CB 3.08Å; A254-F258 PolarHBondContact O-N 3.48Å; A254-F258 VanDerWaalsContact O-N 3.09Å
255	A	84.8	Confident	84.4	Confident	3 Å²	3	48 Å²	48	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-40.3	175.3	0	0	0	0	0	112.3	Q251 V252 L253 F258 I259 A608 L609	Q251-A255 PolarHBondContact O-N 2.87Å; V252-A255 WeakPolarHBondContact O-CB 3.44Å; V252-A255 PolarHBondContact O-N 3.34Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 2.91Å; A255-F258 PolarHBondContact O-N 3.11Å; A255-I259 VanDerWaalsContact O-CB 3.3Å; A255-I259 WeakPolarHBondContact O-CB 3.31Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 3.12Å; A255-A608 HydrophobicContact CB-CB 3.79Å; A255-L609 HydrophobicContact CB-CD2 3.99Å; A255-L609 HydrophobicContact CB-CG 4.41Å
256	I	89.8	Confident	83.9	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-52.4	176.6	-74.2	161.7	0	0	0	110.9	V252 L253 F258 I259 Y260 I632 V633 M636	V252-I256 HydrophobicContact CG1-CD1 4.13Å; V252-I256 VanDerWaalsContact O-CG1 3.28Å; V252-I256 WeakPolarHBondContact O-CG1 3.35Å; V252-I256 PolarHBondContact O-N 2.84Å; L253-I256 PolarHBondContact O-N 3.33Å; I256-F258 VanDerWaalsContact C-N 3.33Å; I256-F258 PolarHBondContact O-N 3.39Å; I256-I259 PolarHBondContact O-N 3.04Å; I256-Y260 VanDerWaalsContact O-CB 3.25Å; I256-Y260 WeakPolarHBondContact O-CB 3.48Å; I256-Y260 PolarHBondContact O-N 2.64Å; I256-I632 HydrophobicContact CD1-CB 4.28Å; I256-I632 HydrophobicContact CD1-CD1 3.8Å; I256-I632 HydrophobicContact CD1-CG2 4.36Å; I256-I632 HydrophobicContact CG1-CB 4.49Å; I256-I632 HydrophobicContact CG2-CB 4.31Å; I256-I632 HydrophobicContact CG2-CG2 3.6Å; I256-V633 HydrophobicContact CG2-CG2 4.39Å; I256-V633 WeakPolarHBondContact O-CG2 3.5Å; I256-M636 HydrophobicContact CG2-SD 3.99Å
257	I	83.8	Confident	83.9	Confident	75 Å²	75	40.9 Å²	40.9	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-46.5	-177.4	-61.3	168.8	0	0	0	109.6	L253 A254 F261 F479	L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 3.45Å; A254-I257 PolarHBondContact O-N 2.95Å; I257-F261 HydrophobicContact CG2-CD2 4.37Å; I257-F261 HydrophobicContact CG2-CE2 4.16Å; I257-F261 VanDerWaalsContact O-CD2 3.27Å; I257-F261 WeakPolarHBondContact O-CD2 3.32Å; I257-F261 PolarHBondContact O-N 3.15Å; I257-F479 HydrophobicContact CG2-CE1 4.23Å; I257-F479 HydrophobicContact CG2-CZ 3.82Å
258	F	80.2	Confident	83.7	Confident	39 Å²	39	40.8 Å²	40.8	17%	0.171	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-48.4	179.9	173.9	-124.8	0	0	0	112.4	A254 A255 I256 F261 A262 D478 A608	A254-F258 WeakPolarHBondContact O-CB 3.08Å; A254-F258 PolarHBondContact O-N 3.48Å; A254-F258 VanDerWaalsContact O-N 3.09Å; A255-F258 PolarHBondContact O-N 3.11Å; I256-F258 VanDerWaalsContact C-N 3.33Å; I256-F258 PolarHBondContact O-N 3.39Å; F258-F261 PolarHBondContact O-N 3.09Å; F258-A262 PolarHBondContact O-N 3.47Å; F258-A262 VanDerWaalsContact O-N 3.09Å; F258-D478 HydrophobicContact CD2-CB 3.79Å; F258-D478 HydrophobicContact CE2-CB 3.5Å; F258-D478 HydrophobicContact CZ-CB 4.3Å; F258-A608 HydrophobicContact CD1-CB 4.09Å
259	I	86.8	Confident	83.4	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-75	-27.1	-175.8	-60.9	-60	0	0	0	112.2	A255 I256 A262 A263 V308 H605 V633	A255-I259 VanDerWaalsContact O-CB 3.3Å; A255-I259 WeakPolarHBondContact O-CB 3.31Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 3.12Å; I256-I259 PolarHBondContact O-N 3.04Å; I259-A262 HydrophobicContact CD1-CB 4.48Å; I259-A262 CarbonylContact O-C 3.54Å; I259-A262 PolarHBondContact O-N 3.35Å; I259-A263 VanDerWaalsContact O-CB 3.25Å; I259-A263 WeakPolarHBondContact O-CB 3.37Å; I259-A263 PolarHBondContact O-N 3.26Å; I259-V308 HydrophobicContact CG2-CG2 4.09Å; I259-H605 VanDerWaalsContact CD1-CA 3.46Å; I259-H605 HydrophobicContact CD1-CB 3.84Å; I259-H605 HydrophobicContact CG1-CB 3.96Å; I259-H605 HydrophobicContact CG2-CB 4.29Å; I259-V633 HydrophobicContact CB-CG2 4.07Å; I259-V633 HydrophobicContact CG2-CG1 4.2Å; I259-V633 HydrophobicContact CG2-CG2 4.1Å
260	Y	89.4	Confident	83.5	Confident	16 Å²	16	31.3 Å²	31.3	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-55	-53.3	169.1	163	-109.5	0	0	0	111.4	I256 A262 A263 L264 M636 V637 S640	I256-Y260 VanDerWaalsContact O-CB 3.25Å; I256-Y260 WeakPolarHBondContact O-CB 3.48Å; I256-Y260 PolarHBondContact O-N 2.64Å; Y260-A262 VanDerWaalsContact C-N 3.34Å; Y260-A262 PolarHBondContact O-N 3.35Å; Y260-A263 PolarHBondContact O-N 2.92Å; Y260-L264 HydrophobicContact CE1-CD2 4.28Å; Y260-L264 HydrophobicContact CE2-CB 4.4Å; Y260-L264 HydrophobicContact CE2-CD2 4.17Å; Y260-L264 VanDerWaalsContact O-CB 3.25Å; Y260-L264 WeakPolarHBondContact O-CB 3.49Å; Y260-L264 PolarHBondContact O-N 2.96Å; Y260-M636 HydrophobicContact CD1-CE 3.82Å; Y260-M636 HydrophobicContact CD2-CB 3.39Å; Y260-M636 HydrophobicContact CD2-CE 4.05Å; Y260-M636 HydrophobicContact CD2-CG 4.46Å; Y260-M636 HydrophobicContact CD2-SD 4.4Å; Y260-M636 HydrophobicContact CE1-CE 4.07Å; Y260-M636 HydrophobicContact CE2-CB 3.63Å; Y260-M636 HydrophobicContact CE2-CE 4.27Å; Y260-M636 HydrophobicContact CG-CB 4.19Å; Y260-M636 HydrophobicContact CG-CE 3.79Å; Y260-M636 HydrophobicContact CG-SD 4.28Å; Y260-V637 HydrophobicContact CD2-CG2 4.16Å; Y260-V637 HydrophobicContact CE2-CG2 4.46Å; Y260-S640 VanDerWaalsContact CE2-OG 3.25Å; Y260-S640 WeakPolarHBondContact CE2-OG 3.37Å; Y260-S640 PolarHBondContact OH-OG 3.29Å
261	F	79.9	Confident	83.8	Confident	68 Å²	68	26 Å²	26	30%	0.298	15%	0.145	S	C	.	.	H	α-helix	trans	-67.5	-36	178.3	-74.6	-73.5	0	0	0	112.6	I257 F258 A263 S265 F479 P482	I257-F261 HydrophobicContact CG2-CD2 4.37Å; I257-F261 HydrophobicContact CG2-CE2 4.16Å; I257-F261 VanDerWaalsContact O-CD2 3.27Å; I257-F261 WeakPolarHBondContact O-CD2 3.32Å; I257-F261 PolarHBondContact O-N 3.15Å; F258-F261 PolarHBondContact O-N 3.09Å; F261-A263 VanDerWaalsContact C-N 3.25Å; F261-A263 PolarHBondContact O-N 3.02Å; F261-S265 PolarHBondContact O-N 3.28Å; F261-S265 VanDerWaalsContact O-N 3.15Å; F261-F479 HydrophobicContact CD2-CD1 4.07Å; F261-F479 AromaticContact CD2-CE1 3.45Å; F261-F479 HydrophobicContact CD2-CE1 3.45Å; F261-F479 VanDerWaalsContact CD2-CE1 3.45Å; F261-F479 HydrophobicContact CD2-CZ 4.48Å; F261-F479 HydrophobicContact CE2-CD1 4.4Å; F261-F479 AromaticContact CE2-CE1 3.67Å; F261-F479 HydrophobicContact CE2-CE1 3.67Å; F261-F479 HydrophobicContact CG-CE1 4.29Å; F261-P482 HydrophobicContact CB-CG 3.73Å; F261-P482 HydrophobicContact CD1-CB 4.1Å; F261-P482 HydrophobicContact CD1-CG 3.87Å; F261-P482 HydrophobicContact CG-CG 4Å
262	A	77.4	Confident	84	Confident	28 Å²	28	23.6 Å²	23.6	23%	0.231	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-24.5	175.2	0	0	0	0	0	113.4	F258 I259 Y260 P266 R601	F258-A262 PolarHBondContact O-N 3.47Å; F258-A262 VanDerWaalsContact O-N 3.09Å; I259-A262 HydrophobicContact CD1-CB 4.48Å; I259-A262 CarbonylContact O-C 3.54Å; I259-A262 PolarHBondContact O-N 3.35Å; Y260-A262 VanDerWaalsContact C-N 3.34Å; Y260-A262 PolarHBondContact O-N 3.35Å; A262-P266 WeakPolarHBondContact O-CD 3.28Å; A262-P266 WeakPolarHBondContact O-CG 3.32Å; A262-R601 WeakPolarHBondContact O-CD 3.36Å
263	A	85.1	Confident	83.8	Confident	2 Å²	2	23.8 Å²	23.8	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-90.7	-40.1	176	0	0	0	0	0	112.4	I259 Y260 F261 A267 V633 V637	I259-A263 VanDerWaalsContact O-CB 3.25Å; I259-A263 WeakPolarHBondContact O-CB 3.37Å; I259-A263 PolarHBondContact O-N 3.26Å; Y260-A263 PolarHBondContact O-N 2.92Å; F261-A263 VanDerWaalsContact C-N 3.25Å; F261-A263 PolarHBondContact O-N 3.02Å; A263-A267 WeakPolarHBondContact O-CB 3.35Å; A263-A267 PolarHBondContact O-N 2.96Å; A263-V633 HydrophobicContact CB-CG1 3.94Å; A263-V637 HydrophobicContact CB-CG2 4.07Å
264	L	85.3	Confident	83.9	Confident	17 Å²	17	18.4 Å²	18.4	9%	0.089	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-45.4	-179	179.5	65	0	0	0	111.7	Y260 A267 I268 M288	Y260-L264 HydrophobicContact CE1-CD2 4.28Å; Y260-L264 HydrophobicContact CE2-CB 4.4Å; Y260-L264 HydrophobicContact CE2-CD2 4.17Å; Y260-L264 VanDerWaalsContact O-CB 3.25Å; Y260-L264 WeakPolarHBondContact O-CB 3.49Å; Y260-L264 PolarHBondContact O-N 2.96Å; L264-A267 PolarHBondContact O-N 3.48Å; L264-I268 HydrophobicContact CD1-CD1 3.82Å; L264-I268 HydrophobicContact CD1-CG1 4.1Å; L264-I268 HydrophobicContact CD2-CD1 4.3Å; L264-I268 HydrophobicContact CG-CD1 3.68Å; L264-I268 HydrophobicContact CG-CG1 4.37Å; L264-I268 WeakPolarHBondContact O-CG1 3.23Å; L264-I268 PolarHBondContact O-N 3.42Å; L264-M288 HydrophobicContact CD1-CE 3.85Å
265	S	79.4	Confident	84.2	Confident	10 Å²	10	15.8 Å²	15.8	7%	0.07	9%	0.085	C	C	.	.	H	α-helix	trans	-58	-56.8	-176.8	165.1	0	0	0	0	111.5	F261 A267 I268 T269 V481	F261-S265 PolarHBondContact O-N 3.28Å; F261-S265 VanDerWaalsContact O-N 3.15Å; S265-A267 VanDerWaalsContact C-N 3.3Å; S265-A267 PolarHBondContact O-N 3.09Å; S265-I268 PolarHBondContact O-N 3.45Å; S265-T269 PolarHBondContact O-N 2.96Å; S265-T269 PolarHBondContact O-OG1 2.89Å; S265-V481 WeakPolarHBondContact OG-CG1 3.41Å
266	P	79.9	Confident	84.1	Confident	14 Å²	14	18.4 Å²	18.4	9%	0.091	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-33	176	-24.6	34.9	0	0	0	114.2	A262 I268 T269 F270 M662	A262-P266 WeakPolarHBondContact O-CD 3.28Å; A262-P266 WeakPolarHBondContact O-CG 3.32Å; P266-I268 VanDerWaalsContact C-N 3.34Å; P266-T269 PolarHBondContact O-N 2.88Å; P266-F270 HydrophobicContact CB-CD2 4.06Å; P266-F270 HydrophobicContact CB-CE2 4.15Å; P266-F270 VanDerWaalsContact O-CB 3.3Å; P266-F270 WeakPolarHBondContact O-CB 3.2Å; P266-F270 WeakPolarHBondContact O-CD2 3.42Å; P266-F270 PolarHBondContact O-N 2.96Å; P266-M662 HydrophobicContact CG-SD 4.42Å
267	A	87.1	Confident	83.9	Confident	4 Å²	4	19.7 Å²	19.7	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-62.6	-42.3	176.2	0	0	0	0	0	111.4	A263 L264 S265 G271 L287	A263-A267 WeakPolarHBondContact O-CB 3.35Å; A263-A267 PolarHBondContact O-N 2.96Å; L264-A267 PolarHBondContact O-N 3.48Å; S265-A267 VanDerWaalsContact C-N 3.3Å; S265-A267 PolarHBondContact O-N 3.09Å; A267-G271 WeakPolarHBondContact O-CA 3.36Å; A267-G271 PolarHBondContact O-N 3.37Å; A267-L287 WeakPolarHBondContact O-CD2 3.39Å
268	I	85.5	Confident	84.1	Confident	10 Å²	10	16.1 Å²	16.1	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-66	-48.2	173.6	-65.4	163.9	0	0	0	110.4	L264 S265 P266 G271 G272 L503 L647 I650 L655	L264-I268 HydrophobicContact CD1-CD1 3.82Å; L264-I268 HydrophobicContact CD1-CG1 4.1Å; L264-I268 HydrophobicContact CD2-CD1 4.3Å; L264-I268 HydrophobicContact CG-CD1 3.68Å; L264-I268 HydrophobicContact CG-CG1 4.37Å; L264-I268 WeakPolarHBondContact O-CG1 3.23Å; L264-I268 PolarHBondContact O-N 3.42Å; S265-I268 PolarHBondContact O-N 3.45Å; P266-I268 VanDerWaalsContact C-N 3.34Å; I268-G271 PolarHBondContact O-N 3.44Å; I268-G272 PolarHBondContact O-N 3.05Å; I268-L503 HydrophobicContact CG2-CD1 4.15Å; I268-L503 HydrophobicContact CG2-CD2 3.63Å; I268-L647 HydrophobicContact CD1-CD2 3.43Å; I268-L647 VanDerWaalsContact CD1-CD2 3.43Å; I268-L647 HydrophobicContact CG1-CD2 4.06Å; I268-I650 HydrophobicContact CD1-CD1 4.35Å; I268-I650 HydrophobicContact CG2-CD1 4.21Å; I268-L655 HydrophobicContact CG2-CD1 4.2Å; I268-L655 HydrophobicContact CG2-CD2 4.3Å
269	T	80.6	Confident	84.3	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-48.1	-175.2	-33.4	0	0	0	0	111.5	S265 P266 L273 L655 F659	S265-T269 PolarHBondContact O-N 2.96Å; S265-T269 PolarHBondContact O-OG1 2.89Å; P266-T269 PolarHBondContact O-N 2.88Å; T269-L273 PolarHBondContact O-N 3.21Å; T269-L655 HydrophobicContact CG2-CB 3.64Å; T269-L655 HydrophobicContact CG2-CD2 4Å; T269-L655 HydrophobicContact CG2-CG 4.28Å; T269-F659 HydrophobicContact CG2-CD1 3.95Å; T269-F659 HydrophobicContact CG2-CD2 3.74Å; T269-F659 HydrophobicContact CG2-CE1 3.43Å; T269-F659 VanDerWaalsContact CG2-CE1 3.43Å; T269-F659 HydrophobicContact CG2-CE2 3.18Å; T269-F659 HydrophobicContact CG2-CG 4.07Å; T269-F659 HydrophobicContact CG2-CZ 3.02Å
270	F	85.6	Confident	84.2	Confident	13 Å²	13	23.6 Å²	23.6	6%	0.057	12%	0.124	C	C	.	.	H	α-helix	trans	-71.6	-36.6	177.6	-75.3	-57.6	0	0	0	112.7	P266 G272 L273 L274 L287 F311 L316 F379 F659	P266-F270 HydrophobicContact CB-CD2 4.06Å; P266-F270 HydrophobicContact CB-CE2 4.15Å; P266-F270 VanDerWaalsContact O-CB 3.3Å; P266-F270 WeakPolarHBondContact O-CB 3.2Å; P266-F270 WeakPolarHBondContact O-CD2 3.42Å; P266-F270 PolarHBondContact O-N 2.96Å; F270-G272 VanDerWaalsContact C-N 3.32Å; F270-G272 PolarHBondContact O-N 2.84Å; F270-L273 PolarHBondContact O-N 3.32Å; F270-L274 WeakPolarHBondContact O-CB 3.22Å; F270-L274 PolarHBondContact O-N 3.35Å; F270-L287 HydrophobicContact CB-CD2 3.99Å; F270-F311 HydrophobicContact CB-CB 4.42Å; F270-F311 HydrophobicContact CB-CD1 3.81Å; F270-F311 HydrophobicContact CD1-CD1 4.37Å; F270-F311 HydrophobicContact CG-CD1 4.08Å; F270-L316 HydrophobicContact CD1-CD2 4.21Å; F270-F379 HydrophobicContact CE1-CE1 4.04Å; F270-F379 HydrophobicContact CE1-CZ 4.16Å; F270-F379 HydrophobicContact CZ-CE1 4.14Å; F270-F379 AromaticContact CZ-CZ 3.8Å; F270-F379 HydrophobicContact CZ-CZ 3.8Å; F270-F659 HydrophobicContact CD1-CE1 4.12Å; F270-F659 HydrophobicContact CD1-CZ 4.18Å; F270-F659 AromaticContact CE1-CE1 3.82Å; F270-F659 HydrophobicContact CE1-CE1 3.82Å; F270-F659 HydrophobicContact CE1-CZ 4.28Å; F270-F659 HydrophobicContact CZ-CE1 4.12Å
271	G	88.2	Confident	83.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-39.9	176.2	0	0	0	0	0	112.1	A267 I268 L274 A275 G283	A267-G271 WeakPolarHBondContact O-CA 3.36Å; A267-G271 PolarHBondContact O-N 3.37Å; I268-G271 PolarHBondContact O-N 3.44Å; G271-L274 PolarHBondContact O-N 3.46Å; G271-A275 PolarHBondContact O-N 3.36Å; G271-G283 CarbonylContact O-C 3.51Å; G271-G283 WeakPolarHBondContact O-CA 3.18Å
272	G	83.9	Confident	84.3	Confident	4 Å²	4	21.4 Å²	21.4	4%	0.041	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-42.4	174.9	0	0	0	0	0	112.4	I268 F270 A275 D276	I268-G272 PolarHBondContact O-N 3.05Å; F270-G272 VanDerWaalsContact C-N 3.32Å; F270-G272 PolarHBondContact O-N 2.84Å; G272-A275 PolarHBondContact O-N 2.92Å; G272-D276 PolarHBondContact O-N 3.23Å; G272-D276 VanDerWaalsContact O-N 3.13Å
273	L	82.3	Confident	84.8	Confident	6 Å²	6	20.1 Å²	20.1	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-40.1	174.1	-73.2	-165.6	0	0	0	112.8	T269 F270 A275 D276 K277 L316 K386 M652 F656 F659	T269-L273 PolarHBondContact O-N 3.21Å; F270-L273 PolarHBondContact O-N 3.32Å; L273-A275 VanDerWaalsContact C-N 3.28Å; L273-A275 PolarHBondContact O-N 3.36Å; L273-D276 PolarHBondContact O-N 3.5Å; L273-K277 WeakPolarHBondContact O-CB 3.31Å; L273-K277 VanDerWaalsContact O-CG 3.24Å; L273-K277 WeakPolarHBondContact O-CG 3.28Å; L273-K277 PolarHBondContact O-N 2.9Å; L273-L316 HydrophobicContact CB-CD1 4.24Å; L273-L316 HydrophobicContact CB-CD2 3.94Å; L273-L316 HydrophobicContact CD1-CD2 3.6Å; L273-L316 HydrophobicContact CG-CD2 4.47Å; L273-K386 VanDerWaalsContact CD1-NZ 3.29Å; L273-K386 HydrophobicContact CD2-CD 4.11Å; L273-M652 HydrophobicContact CD2-CE 4.49Å; L273-F656 HydrophobicContact CD2-CD1 4.48Å; L273-F656 HydrophobicContact CD2-CE1 3.67Å; L273-F659 HydrophobicContact CD1-CD2 4.11Å; L273-F659 HydrophobicContact CD1-CE1 4.27Å; L273-F659 HydrophobicContact CD1-CE2 3.16Å; L273-F659 HydrophobicContact CD1-CZ 3.25Å; L273-F659 HydrophobicContact CD2-CE2 3.95Å; L273-F659 HydrophobicContact CG-CE2 3.45Å; L273-F659 VanDerWaalsContact CG-CE2 3.45Å; L273-F659 HydrophobicContact CG-CZ 3.69Å
274	L	87.8	Confident	85	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.5	-39.3	179.7	-173.4	63.1	0	0	0	110.6	F270 G271 K277 T278 M282 F311 L316 E319 P593	F270-L274 WeakPolarHBondContact O-CB 3.22Å; F270-L274 PolarHBondContact O-N 3.35Å; G271-L274 PolarHBondContact O-N 3.46Å; L274-K277 PolarHBondContact O-N 3.09Å; L274-T278 HydrophobicContact CD1-CG2 3.98Å; L274-T278 WeakPolarHBondContact O-CB 3.44Å; L274-T278 WeakPolarHBondContact O-CG2 3.4Å; L274-T278 PolarHBondContact O-N 3.09Å; L274-T278 PolarHBondContact O-OG1 3.16Å; L274-M282 CarbonylContact C-O 3.55Å; L274-M282 HydrophobicContact CD1-CE 3.67Å; L274-M282 HydrophobicContact CD2-CB 4.32Å; L274-M282 HydrophobicContact CD2-CE 3.49Å; L274-M282 VanDerWaalsContact CD2-CE 3.49Å; L274-M282 HydrophobicContact CD2-CG 3.81Å; L274-M282 HydrophobicContact CD2-SD 4.26Å; L274-M282 HydrophobicContact CG-CB 4.25Å; L274-M282 HydrophobicContact CG-CE 3.87Å; L274-M282 HydrophobicContact CG-CG 4.3Å; L274-F311 HydrophobicContact CD1-CE1 4.32Å; L274-F311 HydrophobicContact CD1-CZ 4.06Å; L274-F311 HydrophobicContact CD2-CE1 4.43Å; L274-F311 HydrophobicContact CD2-CZ 4.26Å; L274-L316 HydrophobicContact CB-CD1 4.12Å; L274-L316 HydrophobicContact CD1-CD1 3.93Å; L274-E319 HydrophobicContact CD1-CB 3.95Å; L274-E319 HydrophobicContact CD1-CG 3.95Å; L274-P593 HydrophobicContact CD2-CB 4.36Å; L274-P593 HydrophobicContact CD2-CG 4.47Å
275	A	86.5	Confident	85.2	Confident	9 Å²	9	19.2 Å²	19.2	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-62.3	-45.1	173.2	0	0	0	0	0	112	G271 G272 L273 D279 K280 M282	G271-A275 PolarHBondContact O-N 3.36Å; G272-A275 PolarHBondContact O-N 2.92Å; L273-A275 VanDerWaalsContact C-N 3.28Å; L273-A275 PolarHBondContact O-N 3.36Å; A275-D279 PolarHBondContact O-N 3.21Å; A275-K280 PolarHBondContact O-N 3.04Å; A275-M282 WeakPolarHBondContact CA-O 3.38Å; A275-M282 PolarHBondContact N-O 3.32Å; A275-M282 VanDerWaalsContact N-O 3.09Å
276	D	82.4	Confident	85.7	Confident	58 Å²	58	18.8 Å²	18.8	31%	0.31	10%	0.097	S	C	.	.	H	α-helix	trans	-64.8	-40.1	177.7	-176.9	57.9	0	0	0	112.2	G272 L273	G272-D276 PolarHBondContact O-N 3.23Å; G272-D276 VanDerWaalsContact O-N 3.13Å; L273-D276 PolarHBondContact O-N 3.5Å
277	K	84.2	Confident	86.3	Confident	40 Å²	40	18.1 Å²	18.1	17%	0.174	9%	0.093	C	C	.	.	H	α-helix	trans	-81.1	-25	-176.4	-65.4	-61.1	-169.6	144.1	0	114.4	L273 L274 E320 F323 E382	L273-K277 WeakPolarHBondContact O-CB 3.31Å; L273-K277 VanDerWaalsContact O-CG 3.24Å; L273-K277 WeakPolarHBondContact O-CG 3.28Å; L273-K277 PolarHBondContact O-N 2.9Å; L274-K277 PolarHBondContact O-N 3.09Å; K277-E320 HydrophobicContact CB-CB 4.33Å; K277-E320 HydrophobicContact CB-CG 4.39Å; K277-E320 VanDerWaalsContact CD-CD 3.49Å; K277-E320 HydrophobicContact CD-CG 4.19Å; K277-E320 WeakPolarHBondContact CD-OE1 3.36Å; K277-E320 WeakPolarHBondContact CD-OE2 3.28Å; K277-E320 WeakPolarHBondContact CE-OE2 3.12Å; K277-E320 IonicContact NZ-OE1 3.85Å; K277-E320 PolarHBondContact NZ-OE1 3.24Å; K277-E320 IonicContact NZ-OE2 2.87Å; K277-E320 PolarHBondContact NZ-OE2 3.11Å; K277-F323 WeakPolarHBondContact O-CD1 3.5Å; K277-E382 WeakPolarHBondContact CE-OE1 3.34Å; K277-E382 IonicContact NZ-OE1 3.83Å; K277-E382 PolarHBondContact NZ-OE1 3.26Å
278	T	87.8	Confident	86.5	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	19.6	-178.5	65.8	0	0	0	0	113	L274 K280 M281 M282	L274-T278 HydrophobicContact CD1-CG2 3.98Å; L274-T278 WeakPolarHBondContact O-CB 3.44Å; L274-T278 WeakPolarHBondContact O-CG2 3.4Å; L274-T278 PolarHBondContact O-N 3.09Å; L274-T278 PolarHBondContact O-OG1 3.16Å; T278-K280 VanDerWaalsContact C-N 3.29Å; T278-K280 PolarHBondContact O-N 3.12Å; T278-M281 WeakPolarHBondContact O-CB 3.17Å; T278-M281 VanDerWaalsContact O-CG 3.22Å; T278-M281 WeakPolarHBondContact O-CG 3.13Å; T278-M281 PolarHBondContact O-N 2.98Å; T278-M282 PolarHBondContact OG1-N 3.48Å; T278-M282 PolarHBondContact OG1-O 2.92Å; T278-M282 VanDerWaalsContact OG1-O 3.1Å
279	D	84.6	Confident	86.9	Confident	116 Å²	116	19 Å²	19	62%	0.62	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	49.2	-178.9	-163.3	23.8	0	0	0	112.6	A275 M281 F323	A275-D279 PolarHBondContact O-N 3.21Å; D279-M281 PolarHBondContact O-N 3.34Å; D279-M281 VanDerWaalsContact O-N 3.09Å; D279-F323 HydrophobicContact CB-CE1 4.3Å; D279-F323 HydrophobicContact CB-CZ 3.81Å
280	K	85.3	Confident	87.5	Confident	80 Å²	80	19 Å²	19	35%	0.348	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	14.2	-179.9	-51.8	170.6	-172.4	163.1	0	114.7	A275 T278 E433 T512 N513	A275-K280 PolarHBondContact O-N 3.04Å; T278-K280 VanDerWaalsContact C-N 3.29Å; T278-K280 PolarHBondContact O-N 3.12Å; K280-E433 IonicContact NZ-OE2 2.75Å; K280-E433 PolarHBondContact NZ-OE2 3.3Å; K280-T512 HydrophobicContact CB-CG2 4.13Å; K280-T512 WeakPolarHBondContact O-CG2 3.32Å; K280-N513 WeakPolarHBondContact O-CB 3.22Å
281	M	84.3	Confident	87.8	Confident	39 Å²	39	18.8 Å²	18.8	19%	0.192	10%	0.097	C	C	.	.	S	Bend	trans	-71.3	-32.8	175.8	-69.9	-68.9	-71	0	0	112.8	T278 D279 F323 I334 R517	T278-M281 WeakPolarHBondContact O-CB 3.17Å; T278-M281 VanDerWaalsContact O-CG 3.22Å; T278-M281 WeakPolarHBondContact O-CG 3.13Å; T278-M281 PolarHBondContact O-N 2.98Å; D279-M281 PolarHBondContact O-N 3.34Å; D279-M281 VanDerWaalsContact O-N 3.09Å; M281-F323 HydrophobicContact CG-CE2 4.31Å; M281-I334 HydrophobicContact CE-CB 4.47Å; M281-R517 PolarHBondContact O-NE 2.66Å
282	M	87.9	Confident	88.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-140.4	130.7	175.8	-164.9	165.6	65.9	0	0	109.2	L274 A275 T278 E286 E319 P593	L274-M282 CarbonylContact C-O 3.55Å; L274-M282 HydrophobicContact CD1-CE 3.67Å; L274-M282 HydrophobicContact CD2-CB 4.32Å; L274-M282 HydrophobicContact CD2-CE 3.49Å; L274-M282 VanDerWaalsContact CD2-CE 3.49Å; L274-M282 HydrophobicContact CD2-CG 3.81Å; L274-M282 HydrophobicContact CD2-SD 4.26Å; L274-M282 HydrophobicContact CG-CB 4.25Å; L274-M282 HydrophobicContact CG-CE 3.87Å; L274-M282 HydrophobicContact CG-CG 4.3Å; A275-M282 WeakPolarHBondContact CA-O 3.38Å; A275-M282 PolarHBondContact N-O 3.32Å; A275-M282 VanDerWaalsContact N-O 3.09Å; T278-M282 PolarHBondContact OG1-N 3.48Å; T278-M282 PolarHBondContact OG1-O 2.92Å; T278-M282 VanDerWaalsContact OG1-O 3.1Å; M282-E286 HydrophobicContact CG-CB 3.97Å; M282-E286 HydrophobicContact CG-CG 4.19Å; M282-E319 HydrophobicContact CE-CG 4.1Å; M282-P593 HydrophobicContact CE-CB 3.88Å; M282-P593 HydrophobicContact SD-CB 3.99Å; M282-P593 VanDerWaalsContact SD-CD 3.58Å; M282-P593 HydrophobicContact SD-CG 4.27Å
283	G	88	Confident	88.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.			trans	-144.3	-146.9	-173.8	0	0	0	0	0	114.1	G271 E286 L287 T512	G271-G283 CarbonylContact O-C 3.51Å; G271-G283 WeakPolarHBondContact O-CA 3.18Å; G283-E286 PolarHBondContact N-OE2 2.85Å; G283-L287 WeakPolarHBondContact O-CB 3.45Å; G283-L287 PolarHBondContact O-N 3.23Å; G283-T512 VanDerWaalsContact CA-OG1 3.27Å; G283-T512 WeakPolarHBondContact CA-OG1 3.4Å; G283-T512 PolarHBondContact N-OG1 3.12Å
284	V	88.3	Confident	89.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.7	-41.7	-172.6	-179.7	0	0	0	0	111.6	L287 M288 L503 V505	V284-L287 PolarHBondContact O-N 2.68Å; V284-M288 HydrophobicContact CG1-CG 4.17Å; V284-M288 HydrophobicContact CG1-SD 3.53Å; V284-M288 VanDerWaalsContact CG1-SD 3.53Å; V284-M288 WeakPolarHBondContact O-CB 3.28Å; V284-M288 VanDerWaalsContact O-CG 3.27Å; V284-M288 WeakPolarHBondContact O-CG 2.98Å; V284-M288 PolarHBondContact O-N 2.84Å; V284-L503 HydrophobicContact CG1-CD2 4.49Å; V284-L503 HydrophobicContact CG2-CD1 3.82Å; V284-L503 HydrophobicContact CG2-CD2 4.06Å; V284-L503 HydrophobicContact CG2-CG 4.02Å; V284-V505 HydrophobicContact CB-CG2 4.27Å; V284-V505 HydrophobicContact CG1-CG2 4.25Å; V284-V505 HydrophobicContact CG2-CG2 4.48Å
285	S	88.8	Confident	89.6	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-47.1	-177.5	60.2	0	0	0	0	111.7	L287 M288 V289 P506 E510	S285-L287 VanDerWaalsContact C-N 3.27Å; S285-L287 PolarHBondContact O-N 2.93Å; S285-M288 PolarHBondContact O-N 2.98Å; S285-V289 WeakPolarHBondContact O-CG2 3.44Å; S285-V289 PolarHBondContact O-N 2.84Å; S285-P506 WeakPolarHBondContact OG-CG 3.15Å; S285-E510 VanDerWaalsContact CB-O 3.31Å; S285-E510 WeakPolarHBondContact CB-O 3.31Å; S285-E510 PolarHBondContact OG-O 3.02Å
286	E	91.2	Very high	90	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.8	-42.9	176	-70	84.9	174.6	0	0	111.9	M282 G283 S290 V511 T512 R517 V592	M282-E286 HydrophobicContact CG-CB 3.97Å; M282-E286 HydrophobicContact CG-CG 4.19Å; G283-E286 PolarHBondContact N-OE2 2.85Å; E286-S290 WeakPolarHBondContact O-CB 3.47Å; E286-S290 PolarHBondContact O-N 2.9Å; E286-V511 WeakPolarHBondContact OE1-CA 3.27Å; E286-V511 WeakPolarHBondContact OE1-CB 3.46Å; E286-T512 PolarHBondContact OE1-N 3.33Å; E286-T512 PolarHBondContact OE2-OG1 3.22Å; E286-R517 IonicContact OE1-CZ 3.4Å; E286-R517 IonicContact OE1-NH2 3.44Å; E286-R517 PolarHBondContact OE1-NH2 3.32Å; E286-V592 HydrophobicContact CB-CG1 4.34Å
287	L	92.2	Very high	90.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-68.3	-41.5	-179.2	177.8	53.8	0	0	0	112.5	A267 F270 G283 V284 S285 S290 T291 F311 P593 L595	A267-L287 WeakPolarHBondContact O-CD2 3.39Å; F270-L287 HydrophobicContact CB-CD2 3.99Å; G283-L287 WeakPolarHBondContact O-CB 3.45Å; G283-L287 PolarHBondContact O-N 3.23Å; V284-L287 PolarHBondContact O-N 2.68Å; S285-L287 VanDerWaalsContact C-N 3.27Å; S285-L287 PolarHBondContact O-N 2.93Å; L287-S290 PolarHBondContact O-N 3.08Å; L287-T291 WeakPolarHBondContact O-CB 3.34Å; L287-T291 PolarHBondContact O-N 2.96Å; L287-T291 PolarHBondContact O-OG1 2.85Å; L287-F311 HydrophobicContact CD1-CB 3.61Å; L287-F311 HydrophobicContact CD1-CD2 4.26Å; L287-F311 HydrophobicContact CD1-CG 4.12Å; L287-F311 HydrophobicContact CD2-CB 3.94Å; L287-F311 HydrophobicContact CD2-CG 4.33Å; L287-F311 HydrophobicContact CG-CB 4.45Å; L287-P593 HydrophobicContact CB-CG 3.86Å; L287-P593 HydrophobicContact CD1-CB 4.33Å; L287-P593 HydrophobicContact CD1-CG 3.57Å; L287-P593 HydrophobicContact CG-CG 4.3Å; L287-L595 HydrophobicContact CD1-CD2 3.57Å
288	M	92.1	Very high	91.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-67.2	-42.1	177.8	-70.5	176.3	75.1	0	0	111.5	L264 V284 S285 T291 C292 V637 S640 I641 L647	L264-M288 HydrophobicContact CD1-CE 3.85Å; V284-M288 HydrophobicContact CG1-CG 4.17Å; V284-M288 HydrophobicContact CG1-SD 3.53Å; V284-M288 VanDerWaalsContact CG1-SD 3.53Å; V284-M288 WeakPolarHBondContact O-CB 3.28Å; V284-M288 VanDerWaalsContact O-CG 3.27Å; V284-M288 WeakPolarHBondContact O-CG 2.98Å; V284-M288 PolarHBondContact O-N 2.84Å; S285-M288 PolarHBondContact O-N 2.98Å; M288-T291 PolarHBondContact O-N 3.3Å; M288-C292 WeakPolarHBondContact O-CB 3.36Å; M288-C292 PolarHBondContact O-N 3.26Å; M288-V637 WeakPolarHBondContact CE-O 3.39Å; M288-S640 VanDerWaalsContact CE-CB 3.43Å; M288-I641 HydrophobicContact CB-CD1 3.79Å; M288-I641 HydrophobicContact CB-CG1 3.72Å; M288-I641 HydrophobicContact CE-CG1 3.81Å; M288-I641 HydrophobicContact CG-CG1 4.47Å; M288-I641 HydrophobicContact SD-CG1 3.99Å; M288-L647 HydrophobicContact CE-CD1 4.41Å; M288-L647 HydrophobicContact SD-CD1 4.39Å
289	V	92	Very high	91.4	Very high	30 Å²	30	24.1 Å²	24.1	18%	0.182	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-46	173.8	173.3	0	0	0	0	110.7	S285 T291 C292 V293 I509 W519 I641	S285-V289 WeakPolarHBondContact O-CG2 3.44Å; S285-V289 PolarHBondContact O-N 2.84Å; V289-T291 VanDerWaalsContact C-N 3.34Å; V289-T291 PolarHBondContact O-N 3.47Å; V289-C292 PolarHBondContact O-N 3.24Å; V289-V293 HydrophobicContact CG1-CG2 4.36Å; V289-V293 WeakPolarHBondContact O-CG2 3.28Å; V289-V293 PolarHBondContact O-N 3.26Å; V289-I509 HydrophobicContact CG2-CG2 4.29Å; V289-W519 HydrophobicContact CB-CH2 4.06Å; V289-W519 HydrophobicContact CB-CZ3 4.42Å; V289-W519 HydrophobicContact CG1-CH2 4.12Å; V289-W519 HydrophobicContact CG1-CZ3 4.16Å; V289-W519 HydrophobicContact CG2-CH2 3.85Å; V289-I641 HydrophobicContact CG2-CD1 3.47Å; V289-I641 VanDerWaalsContact CG2-CD1 3.47Å
290	S	93.3	Very high	91.7	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-56.6	-48.9	176.1	-165.4	0	0	0	0	111.1	E286 L287 C292 Q294 P593	E286-S290 WeakPolarHBondContact O-CB 3.47Å; E286-S290 PolarHBondContact O-N 2.9Å; L287-S290 PolarHBondContact O-N 3.08Å; S290-C292 VanDerWaalsContact C-N 3.33Å; S290-C292 PolarHBondContact O-N 3.29Å; S290-Q294 WeakPolarHBondContact O-CB 3.46Å; S290-Q294 VanDerWaalsContact O-CG 3.3Å; S290-Q294 WeakPolarHBondContact O-CG 3.48Å; S290-Q294 PolarHBondContact O-N 3Å; S290-Q294 PolarHBondContact OG-NE2 3.26Å; S290-P593 PolarHBondContact OG-O 3.24Å
291	T	93.6	Very high	92.1	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-37.8	-178.3	-55.5	0	0	0	0	111.8	L287 M288 V289 G295 V637	L287-T291 WeakPolarHBondContact O-CB 3.34Å; L287-T291 PolarHBondContact O-N 2.96Å; L287-T291 PolarHBondContact O-OG1 2.85Å; M288-T291 PolarHBondContact O-N 3.3Å; V289-T291 VanDerWaalsContact C-N 3.34Å; V289-T291 PolarHBondContact O-N 3.47Å; T291-G295 WeakPolarHBondContact O-CA 3.31Å; T291-G295 PolarHBondContact O-N 3.22Å; T291-V637 HydrophobicContact CG2-CG1 4.22Å
292	C	94.6	Very high	92.4	Very high	19 Å²	19	19.6 Å²	19.6	13%	0.128	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-58.1	176.4	178.8	0	0	0	0	111.6	M288 V289 S290 G295 I296 A634	M288-C292 WeakPolarHBondContact O-CB 3.36Å; M288-C292 PolarHBondContact O-N 3.26Å; V289-C292 PolarHBondContact O-N 3.24Å; S290-C292 VanDerWaalsContact C-N 3.33Å; S290-C292 PolarHBondContact O-N 3.29Å; C292-G295 PolarHBondContact O-N 3.47Å; C292-I296 VanDerWaalsContact O-CG1 3.27Å; C292-I296 WeakPolarHBondContact O-CG1 3.34Å; C292-I296 PolarHBondContact O-N 3.48Å; C292-A634 WeakPolarHBondContact CA-O 3.47Å; C292-A634 WeakPolarHBondContact CB-O 3.33Å; C292-A634 PolarHBondContact SG-O 3.19Å
293	V	94.3	Very high	92.5	Very high	78 Å²	78	19.8 Å²	19.8	47%	0.473	11%	0.111	S	C	.	.	H	α-helix	trans	-65.7	-47.9	-174.6	175.7	0	0	0	0	110.7	V289 I296 I297	V289-V293 HydrophobicContact CG1-CG2 4.36Å; V289-V293 WeakPolarHBondContact O-CG2 3.28Å; V289-V293 PolarHBondContact O-N 3.26Å; V293-I296 PolarHBondContact O-N 3.03Å; V293-I297 HydrophobicContact CG1-CD1 3.78Å; V293-I297 WeakPolarHBondContact O-CG1 3.49Å; V293-I297 PolarHBondContact O-N 2.87Å; V293-I297 VanDerWaalsContact O-N 3.09Å
294	Q	94.9	Very high	92.6	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-68.6	-36.8	179.1	-63.6	-174.7	21.9	0	0	111.8	S290 F298 M583 S587 L595	S290-Q294 WeakPolarHBondContact O-CB 3.46Å; S290-Q294 VanDerWaalsContact O-CG 3.3Å; S290-Q294 WeakPolarHBondContact O-CG 3.48Å; S290-Q294 PolarHBondContact O-N 3Å; S290-Q294 PolarHBondContact OG-NE2 3.26Å; Q294-F298 WeakPolarHBondContact O-CB 3.46Å; Q294-F298 PolarHBondContact O-N 3.42Å; Q294-M583 HydrophobicContact CB-CE 3.7Å; Q294-M583 HydrophobicContact CG-CE 4.06Å; Q294-M583 WeakPolarHBondContact O-CE 3.27Å; Q294-S587 PolarHBondContact NE2-OG 3.04Å; Q294-S587 VanDerWaalsContact NE2-OG 3.1Å; Q294-L595 HydrophobicContact CB-CD1 3.96Å; Q294-L595 HydrophobicContact CG-CD1 4.28Å
295	G	94.4	Very high	92.8	Very high	8 Å²	8	19.8 Å²	19.8	8%	0.082	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176.4	0	0	0	0	0	112.5	T291 C292 F298 C299	T291-G295 WeakPolarHBondContact O-CA 3.31Å; T291-G295 PolarHBondContact O-N 3.22Å; C292-G295 PolarHBondContact O-N 3.47Å; G295-F298 PolarHBondContact O-N 3.4Å; G295-C299 WeakPolarHBondContact O-CB 3.39Å; G295-C299 PolarHBondContact O-N 3.26Å; G295-C299 PolarHBondContact O-SG 3.28Å; G295-C299 VanDerWaalsContact O-SG 3.33Å
296	I	95.8	Very high	92.8	Very high	43 Å²	43	19.8 Å²	19.8	22%	0.221	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-52.4	178.4	-68.6	167.2	0	0	0	110.8	C292 V293 F298 C299 L300 M631 A634 L635	C292-I296 VanDerWaalsContact O-CG1 3.27Å; C292-I296 WeakPolarHBondContact O-CG1 3.34Å; C292-I296 PolarHBondContact O-N 3.48Å; V293-I296 PolarHBondContact O-N 3.03Å; I296-F298 VanDerWaalsContact C-N 3.27Å; I296-F298 PolarHBondContact O-N 2.98Å; I296-C299 PolarHBondContact O-N 2.96Å; I296-L300 HydrophobicContact CG2-CD1 3.88Å; I296-L300 HydrophobicContact CG2-CG 4.49Å; I296-L300 WeakPolarHBondContact O-CB 3.44Å; I296-L300 VanDerWaalsContact O-CG 3.28Å; I296-L300 WeakPolarHBondContact O-CG 3.45Å; I296-L300 PolarHBondContact O-N 3.07Å; I296-M631 HydrophobicContact CG1-CG 4.34Å; I296-M631 HydrophobicContact CG2-CG 4.35Å; I296-A634 HydrophobicContact CG1-CB 4.03Å; I296-L635 HydrophobicContact CD1-CB 4.28Å; I296-L635 HydrophobicContact CD1-CD1 4.28Å
297	I	95.3	Very high	92.9	Very high	67 Å²	67	19.9 Å²	19.9	34%	0.344	11%	0.111	S	C	.	.	H	α-helix	trans	-60.9	-41.2	-178.8	-65.8	169.1	0	0	0	110.3	V293 L300 I301 M583	V293-I297 HydrophobicContact CG1-CD1 3.78Å; V293-I297 WeakPolarHBondContact O-CG1 3.49Å; V293-I297 PolarHBondContact O-N 2.87Å; V293-I297 VanDerWaalsContact O-N 3.09Å; I297-L300 PolarHBondContact O-N 3.23Å; I297-I301 HydrophobicContact CG2-CD1 3.93Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 3.12Å; I297-I301 VanDerWaalsContact O-N 3.15Å; I297-M583 HydrophobicContact CB-CE 3.49Å; I297-M583 VanDerWaalsContact CB-CE 3.49Å; I297-M583 HydrophobicContact CB-SD 4.2Å; I297-M583 HydrophobicContact CD1-CE 4.45Å; I297-M583 HydrophobicContact CG2-CE 3.55Å; I297-M583 HydrophobicContact CG2-CG 4.4Å; I297-M583 HydrophobicContact CG2-SD 3.58Å; I297-M583 VanDerWaalsContact CG2-SD 3.58Å
298	F	94.9	Very high	92.9	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-50.4	178.3	-177.4	-94.4	0	0	0	112	Q294 G295 I296 L300 I301 A302 L307 I309 D576 L579 L580 M583	Q294-F298 WeakPolarHBondContact O-CB 3.46Å; Q294-F298 PolarHBondContact O-N 3.42Å; G295-F298 PolarHBondContact O-N 3.4Å; I296-F298 VanDerWaalsContact C-N 3.27Å; I296-F298 PolarHBondContact O-N 2.98Å; F298-L300 PolarHBondContact O-N 3.26Å; F298-I301 PolarHBondContact O-N 3.1Å; F298-A302 HydrophobicContact CD1-CB 3.81Å; F298-A302 HydrophobicContact CD2-CB 3.93Å; F298-A302 HydrophobicContact CE1-CB 3.54Å; F298-A302 HydrophobicContact CE2-CB 3.71Å; F298-A302 HydrophobicContact CG-CB 3.98Å; F298-A302 HydrophobicContact CZ-CB 3.51Å; F298-A302 WeakPolarHBondContact O-CA 3.34Å; F298-A302 WeakPolarHBondContact O-CB 3.25Å; F298-A302 PolarHBondContact O-N 3.25Å; F298-L307 HydrophobicContact CE1-CB 3.85Å; F298-L307 HydrophobicContact CZ-CB 4.17Å; F298-L307 HydrophobicContact CZ-CD1 4.1Å; F298-I309 HydrophobicContact CB-CD1 3.38Å; F298-I309 HydrophobicContact CB-CG1 4.47Å; F298-I309 HydrophobicContact CD1-CD1 3.63Å; F298-I309 HydrophobicContact CD1-CG1 3.99Å; F298-I309 HydrophobicContact CD2-CD1 3.42Å; F298-I309 VanDerWaalsContact CD2-CD1 3.42Å; F298-I309 HydrophobicContact CD2-CG1 4.43Å; F298-I309 HydrophobicContact CE1-CD1 4.24Å; F298-I309 HydrophobicContact CE1-CG1 4.33Å; F298-I309 HydrophobicContact CE2-CD1 4.04Å; F298-I309 HydrophobicContact CG-CD1 3.17Å; F298-I309 HydrophobicContact CG-CG1 4.05Å; F298-I309 HydrophobicContact CZ-CD1 4.42Å; F298-D576 HydrophobicContact CE2-CB 4.22Å; F298-D576 HydrophobicContact CZ-CB 4.32Å; F298-L579 HydrophobicContact CD2-CD2 3.61Å; F298-L579 HydrophobicContact CD2-CG 4.05Å; F298-L579 HydrophobicContact CE2-CD2 4.15Å; F298-L579 HydrophobicContact CG-CD2 4.34Å; F298-L580 HydrophobicContact CE2-CB 4.4Å; F298-M583 HydrophobicContact CB-CE 4.32Å
299	C	93.1	Very high	92.9	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.034	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-31.1	179.4	-70.2	0	0	0	0	113	G295 I296 R627 G630 M631	G295-C299 WeakPolarHBondContact O-CB 3.39Å; G295-C299 PolarHBondContact O-N 3.26Å; G295-C299 PolarHBondContact O-SG 3.28Å; G295-C299 VanDerWaalsContact O-SG 3.33Å; I296-C299 PolarHBondContact O-N 2.96Å; C299-R627 WeakPolarHBondContact O-CG 3.32Å; C299-R627 PolarHBondContact O-NH1 3.46Å; C299-G630 VanDerWaalsContact SG-C 3.54Å; C299-M631 HydrophobicContact CB-CB 4.21Å
300	L	92.4	Very high	92.9	Very high	57 Å²	57	19.3 Å²	19.3	30%	0.298	11%	0.108	S	C	.	.	H	α-helix	trans	-69.8	-39.6	176.5	-74.2	173	0	0	0	113	Y240 I296 I297 F298 R627 M631	Y240-L300 VanDerWaalsContact CE2-O 3.25Å; Y240-L300 WeakPolarHBondContact CE2-O 3.5Å; Y240-L300 PolarHBondContact OH-O 3.11Å; I296-L300 HydrophobicContact CG2-CD1 3.88Å; I296-L300 HydrophobicContact CG2-CG 4.49Å; I296-L300 WeakPolarHBondContact O-CB 3.44Å; I296-L300 VanDerWaalsContact O-CG 3.28Å; I296-L300 WeakPolarHBondContact O-CG 3.45Å; I296-L300 PolarHBondContact O-N 3.07Å; I297-L300 PolarHBondContact O-N 3.23Å; F298-L300 PolarHBondContact O-N 3.26Å; L300-R627 PolarHBondContact O-NH1 2.91Å; L300-M631 HydrophobicContact CD2-SD 3.89Å; L300-M631 HydrophobicContact CG-SD 4.33Å
301	I	92.6	Very high	92.8	Very high	83 Å²	83	19.5 Å²	19.5	43%	0.426	11%	0.109	S	C	.	.	H	α-helix	trans	-103.3	-36.6	-169.3	-59.6	174.6	0	0	0	111.9	I297 F298 F575 L579	I297-I301 HydrophobicContact CG2-CD1 3.93Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 3.12Å; I297-I301 VanDerWaalsContact O-N 3.15Å; F298-I301 PolarHBondContact O-N 3.1Å; I301-F575 HydrophobicContact CG2-CE1 3.68Å; I301-F575 HydrophobicContact CG2-CZ 3.51Å; I301-F575 WeakPolarHBondContact O-CE1 3.26Å; I301-L579 HydrophobicContact CB-CD1 4.21Å; I301-L579 HydrophobicContact CB-CD2 3.84Å; I301-L579 HydrophobicContact CD1-CD1 4.33Å; I301-L579 HydrophobicContact CG2-CD1 3.98Å; I301-L579 HydrophobicContact CG2-CD2 3.92Å
302	A	91.7	Very high	92.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.			trans	-52.5	150.2	-169.4	0	0	0	0	0	114.6	F298 D576 L579 R627	F298-A302 HydrophobicContact CD1-CB 3.81Å; F298-A302 HydrophobicContact CD2-CB 3.93Å; F298-A302 HydrophobicContact CE1-CB 3.54Å; F298-A302 HydrophobicContact CE2-CB 3.71Å; F298-A302 HydrophobicContact CG-CB 3.98Å; F298-A302 HydrophobicContact CZ-CB 3.51Å; F298-A302 WeakPolarHBondContact O-CA 3.34Å; F298-A302 WeakPolarHBondContact O-CB 3.25Å; F298-A302 PolarHBondContact O-N 3.25Å; A302-D576 WeakPolarHBondContact CA-OD1 3.45Å; A302-L579 HydrophobicContact CB-CD2 4.01Å; A302-R627 VanDerWaalsContact O-CZ 3.3Å; A302-R627 PolarHBondContact O-NH1 3.32Å; A302-R627 PolarHBondContact O-NH2 3.44Å
303	A	89.5	Confident	91.6	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	11%	0.108	C	C	.	.	S	Bend	trans	-69.9	-38.5	169.1	0	0	0	0	0	111.4	R236 P305 F575 D576	R236-A303 HydrophobicContact CB-CB 4.45Å; R236-A303 WeakPolarHBondContact CD-O 3.48Å; R236-A303 WeakPolarHBondContact CG-O 3.29Å; R236-A303 PolarHBondContact NE-O 3.24Å; R236-A303 VanDerWaalsContact NE-O 3.16Å; R236-A303 PolarHBondContact NH1-O 3.05Å; A303-P305 WeakPolarHBondContact O-CD 3.29Å; A303-F575 HydrophobicContact CB-CD1 4.27Å; A303-D576 WeakPolarHBondContact CA-OD1 3.49Å; A303-D576 VanDerWaalsContact CB-OD1 3.31Å; A303-D576 WeakPolarHBondContact CB-OD1 3.2Å; A303-D576 PolarHBondContact N-OD1 3.31Å
304	Q	90.3	Very high	90.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.09	C	C	.	.			trans	-116.6	88	173.7	-174.3	61.2	-67.5	0	0	112.5	V306 L307 D576	Q304-V306 HydrophobicContact CG-CB 4.46Å; Q304-V306 PolarHBondContact O-N 2.61Å; Q304-L307 HydrophobicContact CB-CD1 3.98Å; Q304-L307 HydrophobicContact CB-CG 4.17Å; Q304-L307 HydrophobicContact CG-CD1 4.15Å; Q304-L307 HydrophobicContact CG-CG 3.83Å; Q304-L307 WeakPolarHBondContact O-CB 3.42Å; Q304-L307 PolarHBondContact O-N 3.3Å; Q304-D576 WeakPolarHBondContact CB-OD2 3.45Å; Q304-D576 PolarHBondContact N-OD2 2.93Å
305	P	90.9	Very high	90.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7	-177.2	31.8	-37.5	0	0	0	114.6	A303 L307 Q626 R627	A303-P305 WeakPolarHBondContact O-CD 3.29Å; P305-L307 PolarHBondContact O-N 3.1Å; P305-Q626 WeakPolarHBondContact CG-O 3.44Å; P305-R627 HydrophobicContact CB-CB 4.27Å; P305-R627 HydrophobicContact CB-CG 3.59Å; P305-R627 HydrophobicContact CG-CG 3.6Å
306	V	90.8	Very high	90	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.5	172.4	-178.9	0	0	0	0	111.4	Q304 V308 V560 M567 H605 A606 L609	Q304-V306 HydrophobicContact CG-CB 4.46Å; Q304-V306 PolarHBondContact O-N 2.61Å; V306-V308 PolarHBondContact O-N 3.17Å; V306-V560 HydrophobicContact CG1-CG1 4.2Å; V306-M567 HydrophobicContact CG2-CE 4.06Å; V306-H605 PolarHBondContact O-ND1 3.3Å; V306-A606 HydrophobicContact CG1-CB 3.71Å; V306-L609 HydrophobicContact CG1-CD1 4.44Å
307	L	92	Very high	89.3	Confident	2 Å²	2	16.3 Å²	16.3	1%	0.01	9%	0.089	C	C	.	.			trans	-66.8	129.6	175.7	-63.8	172.4	0	0	0	110.5	F298 Q304 P305 T556 T557 V560 A597	F298-L307 HydrophobicContact CE1-CB 3.85Å; F298-L307 HydrophobicContact CZ-CB 4.17Å; F298-L307 HydrophobicContact CZ-CD1 4.1Å; Q304-L307 HydrophobicContact CB-CD1 3.98Å; Q304-L307 HydrophobicContact CB-CG 4.17Å; Q304-L307 HydrophobicContact CG-CD1 4.15Å; Q304-L307 HydrophobicContact CG-CG 3.83Å; Q304-L307 WeakPolarHBondContact O-CB 3.42Å; Q304-L307 PolarHBondContact O-N 3.3Å; P305-L307 PolarHBondContact O-N 3.1Å; L307-T556 HydrophobicContact CD2-CG2 3.66Å; L307-T557 WeakPolarHBondContact CD1-OG1 3.34Å; L307-V560 HydrophobicContact CD2-CB 4.42Å; L307-V560 HydrophobicContact CD2-CG2 4.11Å; L307-A597 HydrophobicContact CD2-CB 4.49Å
308	V	92.2	Very high	88.8	Confident	12 Å²	12	13.4 Å²	13.4	7%	0.073	7%	0.074	C	C	.	.			trans	-102.1	115.8	175.1	-178.1	0	0	0	0	108.2	I259 V306 A598 R601 S602 H605	I259-V308 HydrophobicContact CG2-CG2 4.09Å; V306-V308 PolarHBondContact O-N 3.17Å; V308-A598 PolarHBondContact O-N 3.46Å; V308-R601 HydrophobicContact CB-CB 4.1Å; V308-R601 HydrophobicContact CG1-CB 4.22Å; V308-S602 PolarHBondContact N-OG 3.4Å; V308-S602 PolarHBondContact O-OG 3.26Å; V308-H605 HydrophobicContact CG2-CB 3.84Å; V308-H605 WeakPolarHBondContact CG2-ND1 3.28Å
309	I	93	Very high	88.6	Confident	9 Å²	9	13.3 Å²	13.3	5%	0.046	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.5	177.1	-66.6	-177.8	0	0	0	110.4	F298 L580 L595 S596	F298-I309 HydrophobicContact CB-CD1 3.38Å; F298-I309 HydrophobicContact CB-CG1 4.47Å; F298-I309 HydrophobicContact CD1-CD1 3.63Å; F298-I309 HydrophobicContact CD1-CG1 3.99Å; F298-I309 HydrophobicContact CD2-CD1 3.42Å; F298-I309 VanDerWaalsContact CD2-CD1 3.42Å; F298-I309 HydrophobicContact CD2-CG1 4.43Å; F298-I309 HydrophobicContact CE1-CD1 4.24Å; F298-I309 HydrophobicContact CE1-CG1 4.33Å; F298-I309 HydrophobicContact CE2-CD1 4.04Å; F298-I309 HydrophobicContact CG-CD1 3.17Å; F298-I309 HydrophobicContact CG-CG1 4.05Å; F298-I309 HydrophobicContact CZ-CD1 4.42Å; I309-L580 HydrophobicContact CD1-CD1 4.12Å; I309-L580 HydrophobicContact CD1-CG 4.32Å; I309-L580 HydrophobicContact CG1-CD1 4.24Å; I309-L595 HydrophobicContact CG2-CB 3.24Å; I309-L595 HydrophobicContact CG2-CD1 3.66Å; I309-L595 HydrophobicContact CG2-CG 4.09Å; I309-S596 WeakPolarHBondContact CA-O 3.35Å
310	G	91.1	Very high	88.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-167.7	154.2	0	0	0	0	0	112.3	S596 R601	G310-S596 PolarHBondContact N-O 3.13Å; G310-S596 PolarHBondContact O-N 3.38Å; G310-R601 VanDerWaalsContact C-NH2 3.34Å
311	F	90.7	Very high	87.8	Confident	6 Å²	6	13.8 Å²	13.8	3%	0.026	8%	0.078	C	C	.	.			trans	-70.7	148.1	-178.6	-151.7	-115.9	0	0	0	111.9	F270 L274 L287 L315 L316 E319 P593 W594 L595 R601	F270-F311 HydrophobicContact CB-CB 4.42Å; F270-F311 HydrophobicContact CB-CD1 3.81Å; F270-F311 HydrophobicContact CD1-CD1 4.37Å; F270-F311 HydrophobicContact CG-CD1 4.08Å; L274-F311 HydrophobicContact CD1-CE1 4.32Å; L274-F311 HydrophobicContact CD1-CZ 4.06Å; L274-F311 HydrophobicContact CD2-CE1 4.43Å; L274-F311 HydrophobicContact CD2-CZ 4.26Å; L287-F311 HydrophobicContact CD1-CB 3.61Å; L287-F311 HydrophobicContact CD1-CD2 4.26Å; L287-F311 HydrophobicContact CD1-CG 4.12Å; L287-F311 HydrophobicContact CD2-CB 3.94Å; L287-F311 HydrophobicContact CD2-CG 4.33Å; L287-F311 HydrophobicContact CG-CB 4.45Å; F311-L315 HydrophobicContact CD2-CB 4.24Å; F311-L315 HydrophobicContact CD2-CD1 4.39Å; F311-L315 HydrophobicContact CE2-CB 3.8Å; F311-L315 HydrophobicContact CZ-CB 3.97Å; F311-L316 HydrophobicContact CD1-CB 4.45Å; F311-L316 HydrophobicContact CE1-CB 3.65Å; F311-L316 HydrophobicContact CE1-CD1 3.99Å; F311-L316 HydrophobicContact CE1-CG 4.42Å; F311-L316 HydrophobicContact CZ-CB 4.38Å; F311-E319 HydrophobicContact CE2-CG 4.47Å; F311-E319 HydrophobicContact CZ-CG 3.89Å; F311-P593 HydrophobicContact CD2-CB 3.77Å; F311-P593 HydrophobicContact CE2-CB 3.61Å; F311-W594 WeakPolarHBondContact CD2-O 3.25Å; F311-L595 HydrophobicContact CB-CD2 4.17Å; F311-L595 HydrophobicContact CD2-CD2 4.2Å; F311-R601 PolarHBondContact O-NH2 3.26Å
312	S	84.2	Confident	87.6	Confident	12 Å²	12	10.2 Å²	10.2	8%	0.084	6%	0.059	C	C	.	.			trans	-124.6	161.4	-179.5	72.4	0	0	0	0	111.4	L315 L316 E552 S596	S312-L315 PolarHBondContact O-N 2.83Å; S312-L315 WeakPolarHBondContact OG-CG 3.09Å; S312-L315 PolarHBondContact OG-N 2.85Å; S312-L316 PolarHBondContact O-N 3.49Å; S312-L316 VanDerWaalsContact O-N 3.09Å; S312-E552 WeakPolarHBondContact CB-OE1 3.28Å; S312-E552 WeakPolarHBondContact CB-OE2 3.4Å; S312-E552 VanDerWaalsContact OG-CD 3.32Å; S312-E552 PolarHBondContact OG-OE1 3.49Å; S312-E552 PolarHBondContact OG-OE2 3.37Å; S312-S596 PolarHBondContact OG-OG 3.35Å
313	G	79.3	Confident	87.5	Confident	8 Å²	8	11.8 Å²	11.8	8%	0.082	7%	0.066	C	C	.	.	H	α-helix	trans	-59.6	-45.3	176.8	0	0	0	0	0	113.2	L315 L316 L317	G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 3.3Å; G313-L316 WeakPolarHBondContact O-CB 3.39Å; G313-L316 PolarHBondContact O-N 2.94Å; G313-L316 VanDerWaalsContact O-N 3.15Å; G313-L317 PolarHBondContact O-N 2.96Å
314	P	78.8	Confident	87.3	Confident	15 Å²	15	15.5 Å²	15.5	10%	0.097	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-37.5	176.4	-29.3	39.3	0	0	0	113.8	L317 F318 F371 I375 L548 E552	P314-L317 PolarHBondContact O-N 3.24Å; P314-F318 PolarHBondContact O-N 3.45Å; P314-F371 HydrophobicContact CG-CZ 4.25Å; P314-I375 HydrophobicContact CG-CD1 4.29Å; P314-I375 HydrophobicContact CG-CG1 4.45Å; P314-L548 HydrophobicContact CB-CD1 4.37Å; P314-L548 HydrophobicContact CB-CD2 3.79Å; P314-E552 WeakPolarHBondContact CD-OE1 3.42Å; P314-E552 WeakPolarHBondContact CG-OE1 3.44Å
315	L	86.9	Confident	87.1	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-44	173.1	-69.2	174.3	0	0	0	111	F311 S312 G313 L317 F318 E319 V545 I549 W594	F311-L315 HydrophobicContact CD2-CB 4.24Å; F311-L315 HydrophobicContact CD2-CD1 4.39Å; F311-L315 HydrophobicContact CE2-CB 3.8Å; F311-L315 HydrophobicContact CZ-CB 3.97Å; S312-L315 PolarHBondContact O-N 2.83Å; S312-L315 WeakPolarHBondContact OG-CG 3.09Å; S312-L315 PolarHBondContact OG-N 2.85Å; G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 3.3Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 3Å; L315-F318 PolarHBondContact O-N 3.49Å; L315-F318 VanDerWaalsContact O-N 3.16Å; L315-E319 WeakPolarHBondContact O-CG 3.16Å; L315-E319 PolarHBondContact O-N 2.92Å; L315-V545 HydrophobicContact CD2-CG1 4.2Å; L315-I549 HydrophobicContact CD2-CD1 4.38Å; L315-I549 HydrophobicContact CD2-CG1 4.02Å; L315-W594 WeakPolarHBondContact CD1-O 3.42Å
316	L	84.9	Confident	87	Confident	11 Å²	11	19.3 Å²	19.3	6%	0.058	11%	0.105	C	C	.	.	H	α-helix	trans	-55	-46.4	174.6	-177.9	67.9	0	0	0	112.5	F270 L273 L274 F311 S312 G313 F318 E319 E320	F270-L316 HydrophobicContact CD1-CD2 4.21Å; L273-L316 HydrophobicContact CB-CD1 4.24Å; L273-L316 HydrophobicContact CB-CD2 3.94Å; L273-L316 HydrophobicContact CD1-CD2 3.6Å; L273-L316 HydrophobicContact CG-CD2 4.47Å; L274-L316 HydrophobicContact CB-CD1 4.12Å; L274-L316 HydrophobicContact CD1-CD1 3.93Å; F311-L316 HydrophobicContact CD1-CB 4.45Å; F311-L316 HydrophobicContact CE1-CB 3.65Å; F311-L316 HydrophobicContact CE1-CD1 3.99Å; F311-L316 HydrophobicContact CE1-CG 4.42Å; F311-L316 HydrophobicContact CZ-CB 4.38Å; S312-L316 PolarHBondContact O-N 3.49Å; S312-L316 VanDerWaalsContact O-N 3.09Å; G313-L316 WeakPolarHBondContact O-CB 3.39Å; G313-L316 PolarHBondContact O-N 2.94Å; G313-L316 VanDerWaalsContact O-N 3.15Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 PolarHBondContact O-N 3.06Å; L316-E319 PolarHBondContact O-N 3.43Å; L316-E320 PolarHBondContact O-N 2.93Å
317	L	79.7	Confident	86.8	Confident	49 Å²	49	23.4 Å²	23.4	26%	0.257	13%	0.13	S	C	.	.	H	α-helix	trans	-63.8	-38.5	179.8	-68.4	176.2	0	0	0	111.9	G313 P314 L315 A321 I378	G313-L317 PolarHBondContact O-N 2.96Å; P314-L317 PolarHBondContact O-N 3.24Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 3Å; L317-A321 WeakPolarHBondContact O-CB 3.32Å; L317-A321 PolarHBondContact O-N 3.5Å; L317-I378 HydrophobicContact CD1-CD1 4.26Å; L317-I378 HydrophobicContact CD1-CG2 4.26Å
318	F	86.5	Confident	86.6	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-46.2	174.3	174.4	-84.5	0	0	0	111.2	P314 L315 L316 E320 A321 F322 P541 L544 V545 L548 W594 L724	P314-F318 PolarHBondContact O-N 3.45Å; L315-F318 PolarHBondContact O-N 3.49Å; L315-F318 VanDerWaalsContact O-N 3.16Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 PolarHBondContact O-N 3.06Å; F318-E320 VanDerWaalsContact C-N 3.32Å; F318-E320 PolarHBondContact O-N 2.95Å; F318-A321 PolarHBondContact O-N 2.72Å; F318-F322 HydrophobicContact CD1-CB 4.43Å; F318-F322 HydrophobicContact CE1-CB 3.87Å; F318-F322 HydrophobicContact CE1-CG 4.15Å; F318-F322 HydrophobicContact CZ-CB 4.02Å; F318-F322 HydrophobicContact CZ-CD2 4.32Å; F318-F322 HydrophobicContact CZ-CG 4.13Å; F318-F322 VanDerWaalsContact O-CB 3.29Å; F318-F322 WeakPolarHBondContact O-CB 3.24Å; F318-F322 PolarHBondContact O-N 3.48Å; F318-P541 HydrophobicContact CE2-CB 3.83Å; F318-P541 HydrophobicContact CZ-CB 3.75Å; F318-L544 HydrophobicContact CD2-CD2 3.75Å; F318-L544 HydrophobicContact CD2-CG 4.28Å; F318-L544 HydrophobicContact CE2-CD2 3.93Å; F318-L544 HydrophobicContact CE2-CG 4.49Å; F318-V545 HydrophobicContact CD1-CG2 3.48Å; F318-V545 VanDerWaalsContact CD1-CG2 3.48Å; F318-V545 HydrophobicContact CD2-CG2 3.56Å; F318-V545 HydrophobicContact CE1-CG2 3.35Å; F318-V545 HydrophobicContact CE2-CG2 3.4Å; F318-V545 VanDerWaalsContact CE2-CG2 3.4Å; F318-V545 HydrophobicContact CG-CG2 3.59Å; F318-V545 HydrophobicContact CZ-CG2 3.3Å; F318-L548 HydrophobicContact CB-CD1 4.32Å; F318-W594 HydrophobicContact CD1-CE3 4.38Å; F318-W594 HydrophobicContact CD1-CH2 4.24Å; F318-W594 AromaticContact CD1-CZ3 3.51Å; F318-W594 HydrophobicContact CD1-CZ3 3.51Å; F318-W594 HydrophobicContact CE1-CE3 4.46Å; F318-W594 AromaticContact CE1-CH2 3.58Å; F318-W594 HydrophobicContact CE1-CH2 3.58Å; F318-W594 AromaticContact CE1-CZ3 3.32Å; F318-W594 HydrophobicContact CE1-CZ3 3.32Å; F318-W594 HydrophobicContact CZ-CH2 4.49Å; F318-W594 HydrophobicContact CZ-CZ3 4.46Å; F318-L724 HydrophobicContact CD2-CD2 4Å; F318-L724 HydrophobicContact CE2-CD2 4.25Å
319	E	89.3	Confident	86.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-44.5	178.7	-61.5	-59.4	-176.8	0	0	111.8	L274 M282 F311 L315 L316 F322 F323 Y333 R337 W594	L274-E319 HydrophobicContact CD1-CB 3.95Å; L274-E319 HydrophobicContact CD1-CG 3.95Å; M282-E319 HydrophobicContact CE-CG 4.1Å; F311-E319 HydrophobicContact CE2-CG 4.47Å; F311-E319 HydrophobicContact CZ-CG 3.89Å; L315-E319 WeakPolarHBondContact O-CG 3.16Å; L315-E319 PolarHBondContact O-N 2.92Å; L316-E319 PolarHBondContact O-N 3.43Å; E319-F322 PolarHBondContact O-N 3.31Å; E319-F323 WeakPolarHBondContact O-CB 3.43Å; E319-F323 PolarHBondContact O-N 3.3Å; E319-Y333 PolarHBondContact OE2-OH 2.79Å; E319-R337 IonicContact OE1-CZ 3.58Å; E319-R337 IonicContact OE1-NH1 3.11Å; E319-R337 PolarHBondContact OE1-NH1 2.91Å; E319-R337 IonicContact OE1-NH2 3.98Å; E319-R337 PolarHBondContact OE1-NH2 2.64Å; E319-R337 IonicContact OE2-CZ 2.89Å; E319-R337 IonicContact OE2-NH1 2.87Å; E319-R337 PolarHBondContact OE2-NH1 3.43Å; E319-W594 VanDerWaalsContact CD-CZ3 3.46Å; E319-W594 WeakPolarHBondContact OE1-CZ3 3.14Å; E319-W594 WeakPolarHBondContact OE2-CZ3 3.45Å
320	E	85.1	Confident	85.8	Confident	51 Å²	51	34.6 Å²	34.6	24%	0.238	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-49.4	176.7	178.1	173.9	-176.4	0	0	111.2	K277 L316 F318 F322 F323 V324	K277-E320 HydrophobicContact CB-CB 4.33Å; K277-E320 HydrophobicContact CB-CG 4.39Å; K277-E320 VanDerWaalsContact CD-CD 3.49Å; K277-E320 HydrophobicContact CD-CG 4.19Å; K277-E320 WeakPolarHBondContact CD-OE1 3.36Å; K277-E320 WeakPolarHBondContact CD-OE2 3.28Å; K277-E320 WeakPolarHBondContact CE-OE2 3.12Å; K277-E320 IonicContact NZ-OE1 3.85Å; K277-E320 PolarHBondContact NZ-OE1 3.24Å; K277-E320 IonicContact NZ-OE2 2.87Å; K277-E320 PolarHBondContact NZ-OE2 3.11Å; L316-E320 PolarHBondContact O-N 2.93Å; F318-E320 VanDerWaalsContact C-N 3.32Å; F318-E320 PolarHBondContact O-N 2.95Å; E320-F322 PolarHBondContact O-N 2.87Å; E320-F323 PolarHBondContact O-N 3.46Å; E320-V324 WeakPolarHBondContact O-CG2 3.37Å; E320-V324 PolarHBondContact O-N 3.01Å
321	A	83.9	Confident	85.6	Confident	22 Å²	22	35.5 Å²	35.5	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-41.6	179.7	0	0	0	0	0	112.2	L317 F318 F325 L724	L317-A321 WeakPolarHBondContact O-CB 3.32Å; L317-A321 PolarHBondContact O-N 3.5Å; F318-A321 PolarHBondContact O-N 2.72Å; A321-F325 WeakPolarHBondContact O-CB 3.3Å; A321-F325 PolarHBondContact O-N 3.35Å; A321-L724 HydrophobicContact CB-CD2 3.69Å; A321-L724 HydrophobicContact CB-CG 4.2Å
322	F	88.1	Confident	85.5	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-68.8	-37.5	179.1	-172.3	-116.5	0	0	0	111.8	F318 E319 E320 F325 C326 Y333 V340 M534 P541	F318-F322 HydrophobicContact CD1-CB 4.43Å; F318-F322 HydrophobicContact CE1-CB 3.87Å; F318-F322 HydrophobicContact CE1-CG 4.15Å; F318-F322 HydrophobicContact CZ-CB 4.02Å; F318-F322 HydrophobicContact CZ-CD2 4.32Å; F318-F322 HydrophobicContact CZ-CG 4.13Å; F318-F322 VanDerWaalsContact O-CB 3.29Å; F318-F322 WeakPolarHBondContact O-CB 3.24Å; F318-F322 PolarHBondContact O-N 3.48Å; E319-F322 PolarHBondContact O-N 3.31Å; E320-F322 PolarHBondContact O-N 2.87Å; F322-F325 PolarHBondContact O-N 3.25Å; F322-C326 VanDerWaalsContact CZ-SG 3.58Å; F322-C326 WeakPolarHBondContact O-CB 3.14Å; F322-C326 PolarHBondContact O-N 3.43Å; F322-C326 PolarHBondContact O-SG 2.88Å; F322-Y333 AromaticContact CD1-CD2 3.57Å; F322-Y333 HydrophobicContact CD1-CD2 3.57Å; F322-Y333 AromaticContact CD1-CE2 3.65Å; F322-Y333 HydrophobicContact CD1-CE2 3.65Å; F322-Y333 AromaticContact CE1-CD2 3.99Å; F322-Y333 HydrophobicContact CE1-CD2 3.99Å; F322-Y333 HydrophobicContact CE1-CE2 4.34Å; F322-V340 HydrophobicContact CE2-CG2 4.29Å; F322-V340 HydrophobicContact CZ-CG2 4.01Å; F322-M534 HydrophobicContact CE2-CE 4.38Å; F322-P541 HydrophobicContact CE2-CG 4.35Å
323	F	89.6	Confident	85.8	Confident	33 Å²	33	36.6 Å²	36.6	15%	0.145	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-50.8	173.5	179.9	-101.2	0	0	0	111.5	K277 D279 M281 E319 E320 F325 C326 T327 Y333	K277-F323 WeakPolarHBondContact O-CD1 3.5Å; D279-F323 HydrophobicContact CB-CE1 4.3Å; D279-F323 HydrophobicContact CB-CZ 3.81Å; M281-F323 HydrophobicContact CG-CE2 4.31Å; E319-F323 WeakPolarHBondContact O-CB 3.43Å; E319-F323 PolarHBondContact O-N 3.3Å; E320-F323 PolarHBondContact O-N 3.46Å; F323-F325 VanDerWaalsContact C-N 3.3Å; F323-F325 PolarHBondContact O-N 3.36Å; F323-C326 PolarHBondContact O-N 3.12Å; F323-T327 WeakPolarHBondContact O-CB 3.19Å; F323-T327 PolarHBondContact O-N 3.48Å; F323-T327 PolarHBondContact O-OG1 3.45Å; F323-Y333 HydrophobicContact CB-CD2 3.95Å; F323-Y333 HydrophobicContact CB-CE2 4.03Å; F323-Y333 HydrophobicContact CB-CG 4.48Å; F323-Y333 AromaticContact CD2-CD1 3.89Å; F323-Y333 HydrophobicContact CD2-CD1 3.89Å; F323-Y333 HydrophobicContact CD2-CD2 4.06Å; F323-Y333 HydrophobicContact CD2-CE1 4.37Å; F323-Y333 AromaticContact CD2-CG 3.72Å; F323-Y333 HydrophobicContact CD2-CG 3.72Å
324	V	86.3	Confident	86.2	Confident	81 Å²	81	36.5 Å²	36.5	49%	0.491	21%	0.206	S	C	.	.	H	α-helix	trans	-59.6	-41.9	177.2	172.5	0	0	0	0	111.2	E320 T327 T328	E320-V324 WeakPolarHBondContact O-CG2 3.37Å; E320-V324 PolarHBondContact O-N 3.01Å; V324-T327 PolarHBondContact O-N 2.98Å; V324-T328 HydrophobicContact CG1-CG2 4.38Å; V324-T328 WeakPolarHBondContact O-CB 3.48Å; V324-T328 VanDerWaalsContact O-CG2 3.27Å; V324-T328 WeakPolarHBondContact O-CG2 3.35Å; V324-T328 PolarHBondContact O-N 2.97Å; V324-T328 PolarHBondContact O-OG1 3.33Å
325	F	86.1	Confident	86.8	Confident	81 Å²	81	35.8 Å²	35.8	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-48.6	175.2	176	-93	0	0	0	112.1	A321 F322 F323 T327 T328 Q329 M534	A321-F325 WeakPolarHBondContact O-CB 3.3Å; A321-F325 PolarHBondContact O-N 3.35Å; F322-F325 PolarHBondContact O-N 3.25Å; F323-F325 VanDerWaalsContact C-N 3.3Å; F323-F325 PolarHBondContact O-N 3.36Å; F325-T327 PolarHBondContact O-N 3.36Å; F325-T328 PolarHBondContact O-N 3.44Å; F325-T328 PolarHBondContact O-OG1 2.96Å; F325-Q329 HydrophobicContact CD2-CG 4.4Å; F325-Q329 HydrophobicContact CE1-CG 4.16Å; F325-Q329 HydrophobicContact CE2-CG 3.98Å; F325-Q329 HydrophobicContact CZ-CG 3.85Å; F325-Q329 WeakPolarHBondContact O-CG 3.41Å; F325-Q329 PolarHBondContact O-N 3.18Å; F325-Q329 VanDerWaalsContact O-N 3.08Å; F325-M534 HydrophobicContact CD1-CE 4.35Å; F325-M534 HydrophobicContact CE1-CE 3.59Å; F325-M534 HydrophobicContact CE1-SD 4.36Å
326	C	87.8	Confident	87	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-43.1	-179.8	-69.1	0	0	0	0	111.7	F322 F323 Q329 G330 I331	F322-C326 VanDerWaalsContact CZ-SG 3.58Å; F322-C326 WeakPolarHBondContact O-CB 3.14Å; F322-C326 PolarHBondContact O-N 3.43Å; F322-C326 PolarHBondContact O-SG 2.88Å; F323-C326 PolarHBondContact O-N 3.12Å; C326-Q329 CarbonylContact O-C 3.5Å; C326-Q329 PolarHBondContact O-N 2.89Å; C326-G330 PolarHBondContact O-N 3.36Å; C326-I331 CarbonylContact C-O 3.52Å; C326-I331 WeakPolarHBondContact CB-O 3.22Å; C326-I331 PolarHBondContact O-N 3.42Å
327	T	87.3	Confident	87.3	Confident	87 Å²	87	35.2 Å²	35.2	53%	0.534	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-41.8	178.8	-58.4	0	0	0	0	112	F323 V324 F325 Q329 G330	F323-T327 WeakPolarHBondContact O-CB 3.19Å; F323-T327 PolarHBondContact O-N 3.48Å; F323-T327 PolarHBondContact O-OG1 3.45Å; V324-T327 PolarHBondContact O-N 2.98Å; F325-T327 PolarHBondContact O-N 3.36Å; T327-Q329 VanDerWaalsContact C-N 3.35Å; T327-Q329 PolarHBondContact O-N 2.92Å; T327-G330 PolarHBondContact O-N 3.38Å
328	T	87	Confident	87.9	Confident	100 Å²	100	33.2 Å²	33.2	61%	0.613	19%	0.188	S	C	*	.	H	α-helix	trans	-68.3	-32.2	177.7	51.9	0	0	0	0	113.2	V324 F325 G330	V324-T328 HydrophobicContact CG1-CG2 4.38Å; V324-T328 WeakPolarHBondContact O-CB 3.48Å; V324-T328 VanDerWaalsContact O-CG2 3.27Å; V324-T328 WeakPolarHBondContact O-CG2 3.35Å; V324-T328 PolarHBondContact O-N 2.97Å; V324-T328 PolarHBondContact O-OG1 3.33Å; F325-T328 PolarHBondContact O-N 3.44Å; F325-T328 PolarHBondContact O-OG1 2.96Å; T328-G330 VanDerWaalsContact C-N 3.35Å
329	Q	85.3	Confident	88.3	Confident	113 Å²	113	35.6 Å²	35.6	53%	0.528	20%	0.197	S	C	.	.	H	α-helix	trans	-86.3	-4.3	175.3	-61.8	-57.9	-52.7	0	0	113.4	F325 C326 T327 I331	F325-Q329 HydrophobicContact CD2-CG 4.4Å; F325-Q329 HydrophobicContact CE1-CG 4.16Å; F325-Q329 HydrophobicContact CE2-CG 3.98Å; F325-Q329 HydrophobicContact CZ-CG 3.85Å; F325-Q329 WeakPolarHBondContact O-CG 3.41Å; F325-Q329 PolarHBondContact O-N 3.18Å; F325-Q329 VanDerWaalsContact O-N 3.08Å; C326-Q329 CarbonylContact O-C 3.5Å; C326-Q329 PolarHBondContact O-N 2.89Å; T327-Q329 VanDerWaalsContact C-N 3.35Å; T327-Q329 PolarHBondContact O-N 2.92Å; Q329-I331 VanDerWaalsContact C-N 3.26Å; Q329-I331 HydrophobicContact CB-CD1 3.82Å; Q329-I331 HydrophobicContact CB-CG1 3.93Å; Q329-I331 PolarHBondContact O-N 2.94Å
330	G	84.7	Confident	88.5	Confident	44 Å²	44	35.6 Å²	35.6	45%	0.454	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	21.7	-176.5	0	0	0	0	0	114.6	C326 T327 T328	C326-G330 PolarHBondContact O-N 3.36Å; T327-G330 PolarHBondContact O-N 3.38Å; T328-G330 VanDerWaalsContact C-N 3.35Å
331	I	86.5	Confident	88.9	Confident	19 Å²	19	33.1 Å²	33.1	10%	0.097	19%	0.185	C	C	.	.			trans	-94.5	144.6	-179.4	-59.5	174	0	0	0	109.6	C326 Q329 Y333 F530 W533 M534	C326-I331 CarbonylContact C-O 3.52Å; C326-I331 WeakPolarHBondContact CB-O 3.22Å; C326-I331 PolarHBondContact O-N 3.42Å; Q329-I331 VanDerWaalsContact C-N 3.26Å; Q329-I331 HydrophobicContact CB-CD1 3.82Å; Q329-I331 HydrophobicContact CB-CG1 3.93Å; Q329-I331 PolarHBondContact O-N 2.94Å; I331-Y333 PolarHBondContact O-N 3.45Å; I331-Y333 VanDerWaalsContact O-N 3.12Å; I331-F530 HydrophobicContact CG2-CD2 3.9Å; I331-F530 HydrophobicContact CG2-CE2 3.31Å; I331-F530 HydrophobicContact CG2-CZ 4.1Å; I331-W533 HydrophobicContact CD1-CH2 4.41Å; I331-W533 HydrophobicContact CD1-CZ2 4.36Å; I331-M534 HydrophobicContact CD1-CE 4.35Å; I331-M534 HydrophobicContact CD1-CG 3.96Å; I331-M534 HydrophobicContact CD1-SD 3.92Å; I331-M534 HydrophobicContact CG2-CG 4.49Å
332	E	88.3	Confident	89.4	Confident	32 Å²	32	36.7 Å²	36.7	15%	0.15	20%	0.199	C	C	.	.			trans	-68.5	109.2	174.4	-69.1	-174.9	178.1	0	0	111.5	I334 V335 G336 E526 K527 K528	E332-I334 VanDerWaalsContact C-N 3.33Å; E332-I334 PolarHBondContact O-N 3.28Å; E332-V335 HydrophobicContact CB-CB 4.16Å; E332-V335 HydrophobicContact CB-CG2 4.01Å; E332-V335 PolarHBondContact O-N 3.42Å; E332-V335 VanDerWaalsContact OE2-CG2 3.27Å; E332-V335 WeakPolarHBondContact OE2-CG2 3.49Å; E332-G336 PolarHBondContact O-N 3.34Å; E332-E526 PolarHBondContact OE2-N 2.87Å; E332-K527 WeakPolarHBondContact OE1-CA 3.46Å; E332-K527 WeakPolarHBondContact OE1-CB 3.31Å; E332-K527 PolarHBondContact OE1-N 2.93Å; E332-K528 PolarHBondContact OE1-N 3.3Å
333	Y	89.8	Confident	89.8	Confident	9 Å²	9	40.2 Å²	40.2	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-51.5	-48.1	178.2	158.4	-103.7	0	0	0	113	E319 F322 F323 I331 V335 G336 R337	E319-Y333 PolarHBondContact OE2-OH 2.79Å; F322-Y333 AromaticContact CD1-CD2 3.57Å; F322-Y333 HydrophobicContact CD1-CD2 3.57Å; F322-Y333 AromaticContact CD1-CE2 3.65Å; F322-Y333 HydrophobicContact CD1-CE2 3.65Å; F322-Y333 AromaticContact CE1-CD2 3.99Å; F322-Y333 HydrophobicContact CE1-CD2 3.99Å; F322-Y333 HydrophobicContact CE1-CE2 4.34Å; F323-Y333 HydrophobicContact CB-CD2 3.95Å; F323-Y333 HydrophobicContact CB-CE2 4.03Å; F323-Y333 HydrophobicContact CB-CG 4.48Å; F323-Y333 AromaticContact CD2-CD1 3.89Å; F323-Y333 HydrophobicContact CD2-CD1 3.89Å; F323-Y333 HydrophobicContact CD2-CD2 4.06Å; F323-Y333 HydrophobicContact CD2-CE1 4.37Å; F323-Y333 AromaticContact CD2-CG 3.72Å; F323-Y333 HydrophobicContact CD2-CG 3.72Å; I331-Y333 PolarHBondContact O-N 3.45Å; I331-Y333 VanDerWaalsContact O-N 3.12Å; Y333-V335 VanDerWaalsContact C-N 3.3Å; Y333-V335 PolarHBondContact O-N 3.18Å; Y333-G336 PolarHBondContact O-N 2.76Å; Y333-R337 PolarHBondContact O-N 3.49Å; Y333-R337 PolarHBondContact OH-NH1 3.48Å
334	I	89.4	Confident	90.1	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-29.6	-173.3	-160.7	66.8	0	0	0	112.6	M281 E332 R337 I521	M281-I334 HydrophobicContact CE-CB 4.47Å; E332-I334 VanDerWaalsContact C-N 3.33Å; E332-I334 PolarHBondContact O-N 3.28Å; I334-R337 WeakPolarHBondContact O-CB 3.43Å; I334-I521 HydrophobicContact CD1-CD1 3.93Å; I334-I521 HydrophobicContact CG1-CD1 3.34Å; I334-I521 HydrophobicContact CG1-CG1 3.79Å; I334-I521 HydrophobicContact CG1-CG2 4.39Å; I334-I521 HydrophobicContact CG2-CG1 4.47Å; I334-I521 HydrophobicContact CG2-CG2 4Å
335	V	90.6	Very high	90.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-79.8	-40.7	176.5	-178.1	0	0	0	0	110.5	E332 Y333 R337 I338 W339 I521 P523 F530	E332-V335 HydrophobicContact CB-CB 4.16Å; E332-V335 HydrophobicContact CB-CG2 4.01Å; E332-V335 PolarHBondContact O-N 3.42Å; E332-V335 VanDerWaalsContact OE2-CG2 3.27Å; E332-V335 WeakPolarHBondContact OE2-CG2 3.49Å; Y333-V335 VanDerWaalsContact C-N 3.3Å; Y333-V335 PolarHBondContact O-N 3.18Å; V335-R337 PolarHBondContact O-N 3.49Å; V335-I338 WeakPolarHBondContact O-CB 3.32Å; V335-I338 PolarHBondContact O-N 3.18Å; V335-W339 PolarHBondContact O-N 3.25Å; V335-I521 HydrophobicContact CG2-CG2 3.89Å; V335-P523 VanDerWaalsContact CG1-O 3.31Å; V335-P523 WeakPolarHBondContact CG1-O 3.36Å; V335-F530 HydrophobicContact CB-CD2 3.83Å; V335-F530 HydrophobicContact CB-CE2 4.25Å; V335-F530 HydrophobicContact CB-CG 4.47Å; V335-F530 HydrophobicContact CG1-CB 3.83Å; V335-F530 HydrophobicContact CG1-CD1 4.45Å; V335-F530 HydrophobicContact CG1-CD2 3.55Å; V335-F530 HydrophobicContact CG1-CE2 4.19Å; V335-F530 HydrophobicContact CG1-CG 3.7Å
336	G	90.8	Very high	91	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-36	171.1	0	0	0	0	0	112.2	E332 Y333 I338 W339 V340	E332-G336 PolarHBondContact O-N 3.34Å; Y333-G336 PolarHBondContact O-N 2.76Å; G336-I338 PolarHBondContact O-N 2.94Å; G336-W339 PolarHBondContact O-N 3.41Å; G336-V340 WeakPolarHBondContact O-CG2 3.37Å; G336-V340 PolarHBondContact O-N 3.1Å
337	R	92.2	Very high	91.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-41.9	174.2	-170.5	-163.3	-173.5	67	17.3	112.7	E319 Y333 I334 V335 W339 V340 G341 V592 P593 W594	E319-R337 IonicContact OE1-CZ 3.58Å; E319-R337 IonicContact OE1-NH1 3.11Å; E319-R337 PolarHBondContact OE1-NH1 2.91Å; E319-R337 IonicContact OE1-NH2 3.98Å; E319-R337 PolarHBondContact OE1-NH2 2.64Å; E319-R337 IonicContact OE2-CZ 2.89Å; E319-R337 IonicContact OE2-NH1 2.87Å; E319-R337 PolarHBondContact OE2-NH1 3.43Å; Y333-R337 PolarHBondContact O-N 3.49Å; Y333-R337 PolarHBondContact OH-NH1 3.48Å; I334-R337 WeakPolarHBondContact O-CB 3.43Å; V335-R337 PolarHBondContact O-N 3.49Å; R337-W339 VanDerWaalsContact C-N 3.33Å; R337-W339 PolarHBondContact O-N 2.96Å; R337-V340 WeakPolarHBondContact O-CB 3.38Å; R337-V340 PolarHBondContact O-N 3.12Å; R337-G341 PolarHBondContact O-N 2.82Å; R337-V592 PolarHBondContact NE-O 3.39Å; R337-P593 VanDerWaalsContact NH2-CA 3.34Å; R337-W594 HydrophobicContact CB-CZ2 4.46Å; R337-W594 HydrophobicContact CG-CH2 3.79Å; R337-W594 HydrophobicContact CG-CZ2 3.37Å; R337-W594 VanDerWaalsContact NH2-CE2 3.29Å; R337-W594 VanDerWaalsContact NH2-CE3 3.28Å
338	I	92.8	Very high	91.7	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-47.3	177.6	-65.5	165.7	0	0	0	110	V335 G336 V340 G341 M342 I521 P523 S588	V335-I338 WeakPolarHBondContact O-CB 3.32Å; V335-I338 PolarHBondContact O-N 3.18Å; G336-I338 PolarHBondContact O-N 2.94Å; I338-V340 VanDerWaalsContact C-N 3.33Å; I338-V340 PolarHBondContact O-N 3.45Å; I338-G341 CarbonylContact O-C 3.6Å; I338-G341 WeakPolarHBondContact O-CA 3.1Å; I338-G341 PolarHBondContact O-N 3.4Å; I338-M342 HydrophobicContact CG2-CG 4.19Å; I338-M342 WeakPolarHBondContact O-CG 3.36Å; I338-M342 PolarHBondContact O-N 3.21Å; I338-I521 HydrophobicContact CD1-CB 3.71Å; I338-I521 HydrophobicContact CD1-CG2 3.45Å; I338-I521 VanDerWaalsContact CD1-CG2 3.45Å; I338-P523 HydrophobicContact CD1-CB 4.5Å; I338-P523 HydrophobicContact CG2-CB 4.21Å; I338-S588 WeakPolarHBondContact CG1-O 3.18Å
339	W	93.4	Very high	92	Very high	56 Å²	56	31.6 Å²	31.6	21%	0.212	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-39.4	179.6	-74.4	103.8	0	0	0	112.4	V335 G336 R337 G341 M342 W343 P523 M524 F530 M535 C538	V335-W339 PolarHBondContact O-N 3.25Å; G336-W339 PolarHBondContact O-N 3.41Å; R337-W339 VanDerWaalsContact C-N 3.33Å; R337-W339 PolarHBondContact O-N 2.96Å; W339-G341 VanDerWaalsContact C-N 3.32Å; W339-G341 PolarHBondContact O-N 2.9Å; W339-M342 PolarHBondContact O-N 3.37Å; W339-W343 PolarHBondContact O-N 3.44Å; W339-W343 VanDerWaalsContact O-N 3.07Å; W339-P523 PolarHBondContact NE1-O 3.46Å; W339-M524 HydrophobicContact CH2-CE 4.44Å; W339-M524 HydrophobicContact CZ2-CE 3.64Å; W339-F530 AromaticContact CD1-CD1 3.78Å; W339-F530 AromaticContact CD1-CE1 3.54Å; W339-F530 HydrophobicContact CG-CE1 4.23Å; W339-F530 AromaticContact NE1-CD1 3.85Å; W339-M535 HydrophobicContact CD2-CB 3.73Å; W339-M535 HydrophobicContact CD2-CG 3.79Å; W339-M535 HydrophobicContact CD2-SD 4.43Å; W339-M535 VanDerWaalsContact CE2-CG 3.45Å; W339-M535 HydrophobicContact CE3-CB 3.89Å; W339-M535 HydrophobicContact CE3-CG 4.37Å; W339-M535 HydrophobicContact CG-CB 4.21Å; W339-M535 HydrophobicContact CG-CG 4.17Å; W339-M535 HydrophobicContact CH2-CB 4.32Å; W339-M535 HydrophobicContact CH2-CG 4.33Å; W339-M535 HydrophobicContact CH2-SD 3.79Å; W339-M535 HydrophobicContact CZ2-CB 4.2Å; W339-M535 HydrophobicContact CZ2-CE 3.73Å; W339-M535 HydrophobicContact CZ2-CG 3.76Å; W339-M535 HydrophobicContact CZ2-SD 3.27Å; W339-M535 WeakPolarHBondContact CZ2-SD 3.24Å; W339-M535 HydrophobicContact CZ3-CB 4.18Å; W339-C538 HydrophobicContact CB-CB 3.78Å
340	V	93.9	Very high	92.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.2	-47.6	169.4	172.9	0	0	0	0	110.5	F322 G336 R337 I338 M342 W343 L344 C538 P541 A542 V545 W594	F322-V340 HydrophobicContact CE2-CG2 4.29Å; F322-V340 HydrophobicContact CZ-CG2 4.01Å; G336-V340 WeakPolarHBondContact O-CG2 3.37Å; G336-V340 PolarHBondContact O-N 3.1Å; R337-V340 WeakPolarHBondContact O-CB 3.38Å; R337-V340 PolarHBondContact O-N 3.12Å; I338-V340 VanDerWaalsContact C-N 3.33Å; I338-V340 PolarHBondContact O-N 3.45Å; V340-M342 PolarHBondContact O-N 3.27Å; V340-W343 PolarHBondContact O-N 3.4Å; V340-L344 WeakPolarHBondContact O-CG 3.46Å; V340-L344 PolarHBondContact O-N 3.43Å; V340-C538 HydrophobicContact CG2-CB 4.08Å; V340-P541 HydrophobicContact CG2-CB 4.11Å; V340-P541 HydrophobicContact CG2-CG 3.9Å; V340-A542 HydrophobicContact CG1-CB 4.11Å; V340-A542 WeakPolarHBondContact O-CB 3.47Å; V340-V545 HydrophobicContact CG1-CG2 4.41Å; V340-W594 HydrophobicContact CB-CH2 4.38Å; V340-W594 HydrophobicContact CB-CZ2 4.11Å; V340-W594 HydrophobicContact CG1-CH2 3.81Å; V340-W594 HydrophobicContact CG1-CZ2 3.68Å
341	G	94.4	Very high	92.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-41.6	176.7	0	0	0	0	0	114.5	R337 I338 W339 L344 V345 G585 S588	R337-G341 PolarHBondContact O-N 2.82Å; I338-G341 CarbonylContact O-C 3.6Å; I338-G341 WeakPolarHBondContact O-CA 3.1Å; I338-G341 PolarHBondContact O-N 3.4Å; W339-G341 VanDerWaalsContact C-N 3.32Å; W339-G341 PolarHBondContact O-N 2.9Å; G341-L344 WeakPolarHBondContact O-CB 3.48Å; G341-L344 PolarHBondContact O-N 3.37Å; G341-V345 PolarHBondContact O-N 2.82Å; G341-G585 WeakPolarHBondContact O-CA 3.17Å; G341-S588 WeakPolarHBondContact CA-OG 3.27Å
342	M	93.8	Very high	93	Very high	96 Å²	96	29 Å²	29	47%	0.473	15%	0.148	S	C	.	.	H	α-helix	trans	-65.3	-43.5	177.5	-68.3	-63.1	-74.2	0	0	111.3	I338 W339 V340 L344 V345 V346	I338-M342 HydrophobicContact CG2-CG 4.19Å; I338-M342 WeakPolarHBondContact O-CG 3.36Å; I338-M342 PolarHBondContact O-N 3.21Å; W339-M342 PolarHBondContact O-N 3.37Å; V340-M342 PolarHBondContact O-N 3.27Å; M342-L344 VanDerWaalsContact C-N 3.32Å; M342-L344 PolarHBondContact O-N 3.32Å; M342-V345 PolarHBondContact O-N 2.98Å; M342-V346 PolarHBondContact O-N 2.88Å
343	W	96.1	Very high	93.1	Very high	81 Å²	81	28.6 Å²	28.6	31%	0.307	15%	0.15	S	C	.	.	H	α-helix	trans	-65	-34.6	174.1	-79	114.5	0	0	0	112.5	W339 V340 V345 V346 I347 M535 C539 A542	W339-W343 PolarHBondContact O-N 3.44Å; W339-W343 VanDerWaalsContact O-N 3.07Å; V340-W343 PolarHBondContact O-N 3.4Å; W343-V345 VanDerWaalsContact C-N 3.31Å; W343-V345 PolarHBondContact O-N 2.87Å; W343-V346 HydrophobicContact CE3-CB 4.35Å; W343-V346 HydrophobicContact CE3-CG1 4.42Å; W343-V346 HydrophobicContact CZ3-CG1 4.42Å; W343-V346 PolarHBondContact O-N 2.98Å; W343-I347 WeakPolarHBondContact O-CB 3.43Å; W343-I347 WeakPolarHBondContact O-CD1 3.46Å; W343-I347 WeakPolarHBondContact O-CG1 3.38Å; W343-I347 PolarHBondContact O-N 3.17Å; W343-M535 PolarHBondContact NE1-O 2.87Å; W343-C539 HydrophobicContact CD2-CB 3.85Å; W343-C539 HydrophobicContact CE3-CB 4.25Å; W343-C539 HydrophobicContact CG-CB 4.11Å; W343-C539 HydrophobicContact CZ2-CB 4.37Å; W343-A542 HydrophobicContact CB-CB 3.35Å; W343-A542 HydrophobicContact CG-CB 4.4Å
344	L	95	Very high	93.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-43.5	173.4	-76.1	176.2	0	0	0	112.1	V340 G341 M342 I347 V348 A542 V545 F546 V581	V340-L344 WeakPolarHBondContact O-CG 3.46Å; V340-L344 PolarHBondContact O-N 3.43Å; G341-L344 WeakPolarHBondContact O-CB 3.48Å; G341-L344 PolarHBondContact O-N 3.37Å; M342-L344 VanDerWaalsContact C-N 3.32Å; M342-L344 PolarHBondContact O-N 3.32Å; L344-I347 PolarHBondContact O-N 3.16Å; L344-V348 WeakPolarHBondContact O-CG1 3.47Å; L344-V348 PolarHBondContact O-N 3.3Å; L344-A542 HydrophobicContact CD2-CB 4.45Å; L344-A542 WeakPolarHBondContact CD2-O 2.97Å; L344-A542 HydrophobicContact CG-CB 4.35Å; L344-V545 HydrophobicContact CD1-CB 4.33Å; L344-V545 HydrophobicContact CD1-CG1 3.76Å; L344-V545 HydrophobicContact CD2-CB 4.05Å; L344-V545 HydrophobicContact CD2-CG1 4.09Å; L344-F546 HydrophobicContact CD2-CB 3.63Å; L344-V581 HydrophobicContact CB-CG1 3.9Å; L344-V581 HydrophobicContact CD2-CG1 4.49Å
345	V	95.8	Very high	93.1	Very high	30 Å²	30	33 Å²	33	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-44.7	177	-179.1	0	0	0	0	111	G341 M342 W343 V348 I349	G341-V345 PolarHBondContact O-N 2.82Å; M342-V345 PolarHBondContact O-N 2.98Å; W343-V345 VanDerWaalsContact C-N 3.31Å; W343-V345 PolarHBondContact O-N 2.87Å; V345-V348 VanDerWaalsContact O-CG1 3.25Å; V345-V348 WeakPolarHBondContact O-CG1 3.44Å; V345-I349 HydrophobicContact CG1-CD1 3.94Å; V345-I349 VanDerWaalsContact O-CG1 3.28Å; V345-I349 WeakPolarHBondContact O-CG1 3.36Å; V345-I349 PolarHBondContact O-N 3.48Å; V345-I349 VanDerWaalsContact O-N 3.16Å
346	V	95.9	Very high	92.7	Very high	73 Å²	73	33.4 Å²	33.4	44%	0.442	18%	0.181	S	C	.	.	H	α-helix	trans	-62.7	-47.3	178.2	176.3	0	0	0	0	110.9	M342 W343 V348 I349 V350	M342-V346 PolarHBondContact O-N 2.88Å; W343-V346 HydrophobicContact CE3-CB 4.35Å; W343-V346 HydrophobicContact CE3-CG1 4.42Å; W343-V346 HydrophobicContact CZ3-CG1 4.42Å; W343-V346 PolarHBondContact O-N 2.98Å; V346-V348 PolarHBondContact O-N 2.86Å; V346-I349 PolarHBondContact O-N 3.24Å; V346-V350 WeakPolarHBondContact O-CG2 3.21Å; V346-V350 PolarHBondContact O-N 3.09Å; V346-V350 VanDerWaalsContact O-N 3.16Å
347	I	94.9	Very high	92.2	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.108	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-45	-178.7	-67.6	165.6	0	0	0	110.6	W343 L344 I349 V350 V351 A542 L543 F546	W343-I347 WeakPolarHBondContact O-CB 3.43Å; W343-I347 WeakPolarHBondContact O-CD1 3.46Å; W343-I347 WeakPolarHBondContact O-CG1 3.38Å; W343-I347 PolarHBondContact O-N 3.17Å; L344-I347 PolarHBondContact O-N 3.16Å; I347-I349 PolarHBondContact O-N 3Å; I347-V350 PolarHBondContact O-N 3.5Å; I347-V351 HydrophobicContact CG2-CG2 4.18Å; I347-V351 VanDerWaalsContact O-CG2 3.29Å; I347-V351 WeakPolarHBondContact O-CG2 3.3Å; I347-V351 PolarHBondContact O-N 3.15Å; I347-A542 HydrophobicContact CD1-CB 4.04Å; I347-L543 HydrophobicContact CD1-CB 4.19Å; I347-L543 HydrophobicContact CG2-CD1 4.49Å; I347-F546 HydrophobicContact CB-CG 4.46Å; I347-F546 HydrophobicContact CG2-CB 4.03Å; I347-F546 HydrophobicContact CG2-CD1 3.57Å; I347-F546 HydrophobicContact CG2-CD2 3.85Å; I347-F546 HydrophobicContact CG2-CE1 3.98Å; I347-F546 HydrophobicContact CG2-CE2 4.23Å; I347-F546 HydrophobicContact CG2-CG 3.5Å; I347-F546 VanDerWaalsContact CG2-CG 3.5Å; I347-F546 HydrophobicContact CG2-CZ 4.29Å
348	V	94.9	Very high	91.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-38	-179.4	69.3	0	0	0	0	112.4	L344 V345 V346 V350 V351 V352 F546 L577 L578 V581	L344-V348 WeakPolarHBondContact O-CG1 3.47Å; L344-V348 PolarHBondContact O-N 3.3Å; V345-V348 VanDerWaalsContact O-CG1 3.25Å; V345-V348 WeakPolarHBondContact O-CG1 3.44Å; V346-V348 PolarHBondContact O-N 2.86Å; V348-V350 VanDerWaalsContact C-N 3.32Å; V348-V350 PolarHBondContact O-N 3.33Å; V348-V351 PolarHBondContact O-N 3.03Å; V348-V352 HydrophobicContact CG2-CG2 3.87Å; V348-V352 VanDerWaalsContact O-CB 3.31Å; V348-V352 WeakPolarHBondContact O-CB 3.28Å; V348-V352 VanDerWaalsContact O-CG2 3.22Å; V348-V352 WeakPolarHBondContact O-CG2 3.2Å; V348-V352 PolarHBondContact O-N 2.64Å; V348-F546 HydrophobicContact CB-CD2 4.34Å; V348-F546 HydrophobicContact CB-CE2 3.78Å; V348-F546 HydrophobicContact CG2-CE2 3.96Å; V348-L577 HydrophobicContact CG2-CD2 4.5Å; V348-L577 HydrophobicContact CG2-CG 4.04Å; V348-L578 HydrophobicContact CG1-CD1 4.01Å; V348-L578 HydrophobicContact CG2-CD1 4.19Å; V348-V581 HydrophobicContact CB-CB 3.86Å; V348-V581 HydrophobicContact CB-CG1 3.74Å; V348-V581 HydrophobicContact CB-CG2 4.39Å; V348-V581 HydrophobicContact CG1-CB 3.94Å; V348-V581 HydrophobicContact CG1-CG1 3.79Å; V348-V581 HydrophobicContact CG2-CB 3.91Å; V348-V581 HydrophobicContact CG2-CG1 4.35Å; V348-V581 HydrophobicContact CG2-CG2 4.16Å
349	I	94.5	Very high	90.9	Very high	77 Å²	77	39.9 Å²	39.9	40%	0.395	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-45.4	176.5	-70.1	168.5	0	0	0	110	F226 V345 V346 I347 A353 L578	F226-I349 HydrophobicContact CZ-CG2 4.18Å; V345-I349 HydrophobicContact CG1-CD1 3.94Å; V345-I349 VanDerWaalsContact O-CG1 3.28Å; V345-I349 WeakPolarHBondContact O-CG1 3.36Å; V345-I349 PolarHBondContact O-N 3.48Å; V345-I349 VanDerWaalsContact O-N 3.16Å; V346-I349 PolarHBondContact O-N 3.24Å; I347-I349 PolarHBondContact O-N 3Å; I349-A353 VanDerWaalsContact O-CB 3.25Å; I349-A353 WeakPolarHBondContact O-CB 3.48Å; I349-A353 PolarHBondContact O-N 3.25Å; I349-L578 HydrophobicContact CG1-CD1 4.2Å
350	V	93.8	Very high	90.1	Very high	87 Å²	87	37.2 Å²	37.2	53%	0.527	20%	0.203	S	C	.	.	H	α-helix	trans	-63.5	-47.2	177.7	173.8	0	0	0	0	111.2	V346 I347 V348 V352 A353 V354	V346-V350 WeakPolarHBondContact O-CG2 3.21Å; V346-V350 PolarHBondContact O-N 3.09Å; V346-V350 VanDerWaalsContact O-N 3.16Å; I347-V350 PolarHBondContact O-N 3.5Å; V348-V350 VanDerWaalsContact C-N 3.32Å; V348-V350 PolarHBondContact O-N 3.33Å; V350-V352 PolarHBondContact O-N 2.9Å; V350-A353 WeakPolarHBondContact O-CB 3.39Å; V350-A353 PolarHBondContact O-N 3.43Å; V350-V354 WeakPolarHBondContact O-CG2 3.39Å; V350-V354 PolarHBondContact O-N 3.21Å; V350-V354 VanDerWaalsContact O-N 3.11Å
351	V	92	Very high	89.3	Confident	34 Å²	34	41.9 Å²	41.9	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-38.9	-177.1	174.7	0	0	0	0	111.7	I347 V348 V354 E355 G356 F546	I347-V351 HydrophobicContact CG2-CG2 4.18Å; I347-V351 VanDerWaalsContact O-CG2 3.29Å; I347-V351 WeakPolarHBondContact O-CG2 3.3Å; I347-V351 PolarHBondContact O-N 3.15Å; V348-V351 PolarHBondContact O-N 3.03Å; V351-V354 PolarHBondContact O-N 3.07Å; V351-E355 PolarHBondContact O-N 3.36Å; V351-G356 PolarHBondContact O-N 2.83Å; V351-F546 HydrophobicContact CB-CE1 4.19Å; V351-F546 HydrophobicContact CB-CZ 3.74Å; V351-F546 HydrophobicContact CG1-CE1 4.12Å; V351-F546 HydrophobicContact CG1-CZ 3.74Å; V351-F546 HydrophobicContact CG2-CE1 3.71Å; V351-F546 HydrophobicContact CG2-CZ 3.75Å
352	V	91.4	Very high	88.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-37.6	175.9	172.4	0	0	0	0	111	F226 M229 V348 V350 V354 E355 H574 L577 L578	F226-V352 HydrophobicContact CD1-CG1 4.07Å; F226-V352 HydrophobicContact CE1-CG1 4.37Å; M229-V352 HydrophobicContact CB-CG1 4.11Å; M229-V352 HydrophobicContact SD-CG1 4.25Å; V348-V352 HydrophobicContact CG2-CG2 3.87Å; V348-V352 VanDerWaalsContact O-CB 3.31Å; V348-V352 WeakPolarHBondContact O-CB 3.28Å; V348-V352 VanDerWaalsContact O-CG2 3.22Å; V348-V352 WeakPolarHBondContact O-CG2 3.2Å; V348-V352 PolarHBondContact O-N 2.64Å; V350-V352 PolarHBondContact O-N 2.9Å; V352-V354 VanDerWaalsContact C-N 3.27Å; V352-V354 PolarHBondContact O-N 2.86Å; V352-E355 PolarHBondContact O-N 3.48Å; V352-H574 HydrophobicContact CG1-CB 4.48Å; V352-L577 HydrophobicContact CG2-CD2 4.19Å; V352-L578 HydrophobicContact CG2-CB 4.11Å; V352-L578 HydrophobicContact CG2-CD1 4.49Å
353	A	90.5	Very high	87.8	Confident	23 Å²	23	42 Å²	42	19%	0.19	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-36.8	175	0	0	0	0	0	112.3	P225 F226 I349 V350 E355	P225-A353 WeakPolarHBondContact CA-O 3.42Å; F226-A353 HydrophobicContact CD2-CB 4.26Å; F226-A353 HydrophobicContact CE1-CB 4.07Å; F226-A353 HydrophobicContact CE2-CB 3.77Å; F226-A353 HydrophobicContact CZ-CB 3.66Å; F226-A353 PolarHBondContact N-O 3.37Å; I349-A353 VanDerWaalsContact O-CB 3.25Å; I349-A353 WeakPolarHBondContact O-CB 3.48Å; I349-A353 PolarHBondContact O-N 3.25Å; V350-A353 WeakPolarHBondContact O-CB 3.39Å; V350-A353 PolarHBondContact O-N 3.43Å; A353-E355 VanDerWaalsContact C-N 3.31Å
354	V	90.9	Very high	87.1	Confident	99 Å²	99	38.6 Å²	38.6	60%	0.6	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	8.8	-179.6	-174.7	0	0	0	0	112.8	V350 V351 V352 G356	V350-V354 WeakPolarHBondContact O-CG2 3.39Å; V350-V354 PolarHBondContact O-N 3.21Å; V350-V354 VanDerWaalsContact O-N 3.11Å; V351-V354 PolarHBondContact O-N 3.07Å; V352-V354 VanDerWaalsContact C-N 3.27Å; V352-V354 PolarHBondContact O-N 2.86Å; V354-G356 VanDerWaalsContact C-N 3.32Å; V354-G356 PolarHBondContact O-N 3.34Å
355	E	86.7	Confident	86.4	Confident	9 Å²	9	40.9 Å²	40.9	4%	0.042	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	44.5	-176.8	-53.7	-170.4	147.3	0	0	112.8	R221 T222 G228 V351 V352 A353 S357 F358	R221-E355 WeakPolarHBondContact CA-OE2 3.3Å; R221-E355 WeakPolarHBondContact CB-OE2 3.28Å; T222-E355 WeakPolarHBondContact CB-OE1 3.23Å; T222-E355 PolarHBondContact N-OE1 3.49Å; T222-E355 PolarHBondContact N-OE2 3.3Å; T222-E355 PolarHBondContact OG1-OE1 3.39Å; G228-E355 PolarHBondContact N-OE1 3.29Å; V351-E355 PolarHBondContact O-N 3.36Å; V352-E355 PolarHBondContact O-N 3.48Å; A353-E355 VanDerWaalsContact C-N 3.31Å; E355-S357 PolarHBondContact O-N 3.27Å; E355-S357 VanDerWaalsContact O-N 3.12Å; E355-F358 WeakPolarHBondContact O-CB 3.45Å; E355-F358 PolarHBondContact O-N 3.11Å
356	G	82.2	Confident	85.9	Confident	7 Å²	7	39.4 Å²	39.4	7%	0.072	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.5	-22.2	-177.4	0	0	0	0	0	114.6	V351 V354 F358 L359	V351-G356 PolarHBondContact O-N 2.83Å; V354-G356 VanDerWaalsContact C-N 3.32Å; V354-G356 PolarHBondContact O-N 3.34Å; G356-F358 PolarHBondContact O-N 3.32Å; G356-F358 VanDerWaalsContact O-N 3.09Å; G356-L359 VanDerWaalsContact O-CB 3.29Å; G356-L359 WeakPolarHBondContact O-CB 3.11Å; G356-L359 WeakPolarHBondContact O-CD1 3.31Å; G356-L359 PolarHBondContact O-N 3.28Å
357	S	80.1	Confident	85.4	Confident	1 Å²	1	36 Å²	36	1%	0.007	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63.5	-13.8	174.8	-48	0	0	0	0	112.9	L219 E355 L359 V360 H574	L219-S357 WeakPolarHBondContact CD2-O 3.4Å; E355-S357 PolarHBondContact O-N 3.27Å; E355-S357 VanDerWaalsContact O-N 3.12Å; S357-L359 PolarHBondContact O-N 3.08Å; S357-V360 WeakPolarHBondContact O-CB 3.48Å; S357-V360 VanDerWaalsContact O-CG2 3.22Å; S357-V360 WeakPolarHBondContact O-CG2 3.29Å; S357-V360 PolarHBondContact O-N 2.93Å; S357-V360 VanDerWaalsContact O-N 3.15Å; S357-H574 WeakPolarHBondContact CB-NE2 3.4Å; S357-H574 PolarHBondContact OG-CD2 3.36Å
358	F	79.1	Confident	84.6	Confident	43 Å²	43	36.4 Å²	36.4	19%	0.189	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-55.6	-34.3	167	175	-104	0	0	0	112.9	R221 E355 G356 V360 R361 F362	R221-F358 HydrophobicContact CG-CB 4.15Å; R221-F358 HydrophobicContact CG-CD2 3.95Å; R221-F358 HydrophobicContact CG-CG 4.04Å; E355-F358 WeakPolarHBondContact O-CB 3.45Å; E355-F358 PolarHBondContact O-N 3.11Å; G356-F358 PolarHBondContact O-N 3.32Å; G356-F358 VanDerWaalsContact O-N 3.09Å; F358-V360 PolarHBondContact O-N 2.73Å; F358-V360 VanDerWaalsContact O-N 3.1Å; F358-R361 WeakPolarHBondContact O-CB 3.43Å; F358-R361 PolarHBondContact O-N 3.19Å; F358-R361 VanDerWaalsContact O-N 3.12Å; F358-F362 AromaticContact CD1-CE2 4Å; F358-F362 HydrophobicContact CD1-CE2 4Å; F358-F362 AromaticContact CE1-CE2 3.42Å; F358-F362 HydrophobicContact CE1-CE2 3.42Å; F358-F362 VanDerWaalsContact CE1-CE2 3.42Å; F358-F362 AromaticContact CE1-CZ 3.76Å; F358-F362 HydrophobicContact CE1-CZ 3.76Å; F358-F362 AromaticContact CZ-CE2 3.97Å; F358-F362 HydrophobicContact CZ-CE2 3.97Å; F358-F362 AromaticContact CZ-CZ 3.94Å; F358-F362 HydrophobicContact CZ-CZ 3.94Å
359	L	78.8	Confident	84.1	Confident	98 Å²	98	37 Å²	37	51%	0.513	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.3	-24.6	179.8	-71.5	157.6	0	0	0	112.7	G356 S357 R361 F362 F550	G356-L359 VanDerWaalsContact O-CB 3.29Å; G356-L359 WeakPolarHBondContact O-CB 3.11Å; G356-L359 WeakPolarHBondContact O-CD1 3.31Å; G356-L359 PolarHBondContact O-N 3.28Å; S357-L359 PolarHBondContact O-N 3.08Å; L359-R361 PolarHBondContact O-N 2.82Å; L359-F362 PolarHBondContact O-N 3.49Å; L359-F550 HydrophobicContact CB-CZ 4.48Å
360	V	77.1	Confident	83.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-62.6	-28.1	-179.7	178	0	0	0	0	111.8	L219 S357 F358 F362 I363 F550 Q554 L558	L219-V360 HydrophobicContact CD2-CB 4.32Å; S357-V360 WeakPolarHBondContact O-CB 3.48Å; S357-V360 VanDerWaalsContact O-CG2 3.22Å; S357-V360 WeakPolarHBondContact O-CG2 3.29Å; S357-V360 PolarHBondContact O-N 2.93Å; S357-V360 VanDerWaalsContact O-N 3.15Å; F358-V360 PolarHBondContact O-N 2.73Å; F358-V360 VanDerWaalsContact O-N 3.1Å; V360-F362 PolarHBondContact O-N 3.23Å; V360-I363 WeakPolarHBondContact O-CB 3.24Å; V360-I363 PolarHBondContact O-N 3.05Å; V360-F550 HydrophobicContact CG2-CE1 4.11Å; V360-F550 HydrophobicContact CG2-CZ 3.73Å; V360-Q554 HydrophobicContact CB-CB 4.42Å; V360-Q554 HydrophobicContact CG1-CB 4.01Å; V360-Q554 HydrophobicContact CG2-CB 3.48Å; V360-Q554 VanDerWaalsContact CG2-CB 3.48Å; V360-Q554 HydrophobicContact CG2-CG 3.54Å; V360-L558 HydrophobicContact CG1-CD1 3.33Å; V360-L558 HydrophobicContact CG1-CD2 4.18Å; V360-L558 HydrophobicContact CG1-CG 3.7Å
361	R	76.4	Confident	83.3	Confident	98 Å²	98	30.1 Å²	30.1	37%	0.37	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-62.4	-25	174.9	-68	179.4	171.1	-167.4	-5.8	113.6	D217 L219 F358 L359 I363	D217-R361 IonicContact OD1-CZ 3.01Å; D217-R361 IonicContact OD1-NH2 3.06Å; D217-R361 PolarHBondContact OD1-NH2 2.87Å; D217-R361 IonicContact OD2-CZ 2.72Å; D217-R361 IonicContact OD2-NH2 3.55Å; D217-R361 PolarHBondContact OD2-NH2 3.35Å; L219-R361 VanDerWaalsContact C-CZ 3.48Å; L219-R361 HydrophobicContact CB-CG 4.02Å; L219-R361 HydrophobicContact CD1-CG 4.21Å; L219-R361 VanDerWaalsContact O-CZ 3.25Å; L219-R361 PolarHBondContact O-NE 3.47Å; L219-R361 PolarHBondContact O-NH2 2.92Å; F358-R361 WeakPolarHBondContact O-CB 3.43Å; F358-R361 PolarHBondContact O-N 3.19Å; F358-R361 VanDerWaalsContact O-N 3.12Å; L359-R361 PolarHBondContact O-N 2.82Å; R361-I363 VanDerWaalsContact C-N 3.32Å
362	F	78.8	Confident	82.7	Confident	92 Å²	92	30.2 Å²	30.2	40%	0.404	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-86	-7.5	178.1	-58.7	-71.6	0	0	0	112.6	F358 L359 V360 S364 I734 I738	F358-F362 AromaticContact CD1-CE2 4Å; F358-F362 HydrophobicContact CD1-CE2 4Å; F358-F362 AromaticContact CE1-CE2 3.42Å; F358-F362 HydrophobicContact CE1-CE2 3.42Å; F358-F362 VanDerWaalsContact CE1-CE2 3.42Å; F358-F362 AromaticContact CE1-CZ 3.76Å; F358-F362 HydrophobicContact CE1-CZ 3.76Å; F358-F362 AromaticContact CZ-CE2 3.97Å; F358-F362 HydrophobicContact CZ-CE2 3.97Å; F358-F362 AromaticContact CZ-CZ 3.94Å; F358-F362 HydrophobicContact CZ-CZ 3.94Å; L359-F362 PolarHBondContact O-N 3.49Å; V360-F362 PolarHBondContact O-N 3.23Å; F362-S364 PolarHBondContact O-N 3.4Å; F362-S364 VanDerWaalsContact O-N 3.11Å; F362-I734 HydrophobicContact CB-CG2 3.77Å; F362-I734 WeakPolarHBondContact O-CG2 3.49Å; F362-I738 HydrophobicContact CD1-CD1 4.32Å
363	I	78.6	Confident	82.4	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.036	15%	0.154	C	C	.	.			trans	-82.1	88.7	176.7	-53.1	173.8	0	0	0	108.7	V360 R361 T367 Q368 M551 I555 I734	V360-I363 WeakPolarHBondContact O-CB 3.24Å; V360-I363 PolarHBondContact O-N 3.05Å; R361-I363 VanDerWaalsContact C-N 3.32Å; I363-T367 HydrophobicContact CG2-CG2 4.48Å; I363-Q368 HydrophobicContact CG2-CG 3.83Å; I363-Q368 PolarHBondContact O-NE2 2.79Å; I363-Q368 VanDerWaalsContact O-NE2 3.1Å; I363-M551 HydrophobicContact CD1-CE 3.7Å; I363-M551 HydrophobicContact CD1-SD 3.59Å; I363-M551 VanDerWaalsContact CD1-SD 3.59Å; I363-M551 HydrophobicContact CG1-CE 4.18Å; I363-M551 HydrophobicContact CG1-SD 4.47Å; I363-M551 HydrophobicContact CG2-CE 4.38Å; I363-I555 HydrophobicContact CD1-CG1 4.33Å; I363-I555 HydrophobicContact CG2-CD1 4.08Å; I363-I555 HydrophobicContact CG2-CG1 4.04Å; I363-I734 HydrophobicContact CG1-CD1 4.06Å
364	S	81.3	Confident	82.2	Confident	9 Å²	9	29.4 Å²	29.4	6%	0.063	15%	0.146	C	C	.	.			trans	-79.5	170.3	176.1	78.3	0	0	0	0	112.8	F362 F366 T367 Q368 R737 D754	F362-S364 PolarHBondContact O-N 3.4Å; F362-S364 VanDerWaalsContact O-N 3.11Å; S364-F366 PolarHBondContact O-N 3.42Å; S364-F366 VanDerWaalsContact O-N 3.16Å; S364-F366 WeakPolarHBondContact OG-CB 3.42Å; S364-F366 PolarHBondContact OG-N 2.87Å; S364-T367 PolarHBondContact O-N 3.3Å; S364-T367 VanDerWaalsContact O-N 3.16Å; S364-Q368 WeakPolarHBondContact O-CG 3.27Å; S364-Q368 PolarHBondContact O-N 3.41Å; S364-R737 PolarHBondContact OG-NE 3.42Å; S364-D754 WeakPolarHBondContact CB-OD2 3.37Å; S364-D754 PolarHBondContact OG-OD1 3.37Å; S364-D754 PolarHBondContact OG-OD2 3.44Å
365	R	80.3	Confident	81.7	Confident	48 Å²	48	26.3 Å²	26.3	18%	0.181	13%	0.125	C	C	.	.	H	α-helix	trans	-51.5	-35.9	174.6	176.6	-179.2	-97.6	166.5	7.2	111.8	T367 Q368 E369 Q671 D754 A755	R365-T367 PolarHBondContact O-N 3.48Å; R365-Q368 PolarHBondContact O-N 3.39Å; R365-E369 VanDerWaalsContact CD-OE1 3.27Å; R365-E369 WeakPolarHBondContact CD-OE1 3.39Å; R365-E369 VanDerWaalsContact CG-CD 3.42Å; R365-E369 HydrophobicContact CG-CG 3.67Å; R365-E369 VanDerWaalsContact CG-OE1 3.32Å; R365-E369 WeakPolarHBondContact CG-OE1 3.4Å; R365-E369 IonicContact NE-OE1 3.57Å; R365-E369 WeakPolarHBondContact O-CB 3.37Å; R365-E369 VanDerWaalsContact O-CG 3.26Å; R365-E369 WeakPolarHBondContact O-CG 3.36Å; R365-E369 PolarHBondContact O-N 2.86Å; R365-Q671 VanDerWaalsContact CD-OE1 3.3Å; R365-D754 WeakPolarHBondContact CA-OD1 3.3Å; R365-D754 WeakPolarHBondContact CB-OD1 3.4Å; R365-D754 PolarHBondContact N-OD1 3.02Å; R365-A755 PolarHBondContact NH1-O 2.77Å; R365-A755 VanDerWaalsContact NH1-O 3.1Å
366	F	86	Confident	81.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-47.7	-53.4	174.9	-179.6	-96.4	0	0	0	113.3	S364 I370 F703 Q707 R737 M740 D754	S364-F366 PolarHBondContact O-N 3.42Å; S364-F366 VanDerWaalsContact O-N 3.16Å; S364-F366 WeakPolarHBondContact OG-CB 3.42Å; S364-F366 PolarHBondContact OG-N 2.87Å; F366-I370 HydrophobicContact CD1-CD1 3.92Å; F366-I370 HydrophobicContact CE1-CD1 3.58Å; F366-I370 HydrophobicContact CE2-CD1 4.27Å; F366-I370 HydrophobicContact CG-CD1 4.39Å; F366-I370 HydrophobicContact CZ-CD1 3.77Å; F366-I370 WeakPolarHBondContact O-CD1 3.4Å; F366-I370 VanDerWaalsContact O-CG1 3.28Å; F366-I370 WeakPolarHBondContact O-CG1 3.23Å; F366-I370 PolarHBondContact O-N 3.1Å; F366-F703 HydrophobicContact CD2-CE1 4Å; F366-F703 HydrophobicContact CD2-CE2 4.02Å; F366-F703 AromaticContact CD2-CZ 3.46Å; F366-F703 HydrophobicContact CD2-CZ 3.46Å; F366-F703 VanDerWaalsContact CD2-CZ 3.46Å; F366-F703 HydrophobicContact CE2-CE1 4.42Å; F366-F703 HydrophobicContact CE2-CE2 4.28Å; F366-F703 HydrophobicContact CE2-CZ 4.04Å; F366-Q707 HydrophobicContact CD2-CG 3.69Å; F366-Q707 HydrophobicContact CE2-CB 4.49Å; F366-Q707 HydrophobicContact CE2-CG 3.27Å; F366-Q707 HydrophobicContact CZ-CG 4.07Å; F366-R737 HydrophobicContact CB-CG 4.04Å; F366-R737 HydrophobicContact CD1-CB 3.83Å; F366-R737 HydrophobicContact CD1-CG 4.11Å; F366-R737 HydrophobicContact CE1-CB 4.21Å; F366-R737 HydrophobicContact CG-CB 4.32Å; F366-R737 HydrophobicContact CG-CG 4.1Å; F366-M740 HydrophobicContact CE2-SD 4.44Å; F366-M740 HydrophobicContact CZ-SD 4.26Å; F366-D754 PolarHBondContact N-OD1 3.28Å
367	T	84.4	Confident	81.7	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-73	-39.1	-179.4	-61.3	0	0	0	0	111.3	I363 S364 R365 E369 F371 L730 T733 I734	I363-T367 HydrophobicContact CG2-CG2 4.48Å; S364-T367 PolarHBondContact O-N 3.3Å; S364-T367 VanDerWaalsContact O-N 3.16Å; R365-T367 PolarHBondContact O-N 3.48Å; T367-E369 PolarHBondContact O-N 2.73Å; T367-F371 WeakPolarHBondContact O-CB 3.47Å; T367-F371 PolarHBondContact O-N 2.72Å; T367-L730 HydrophobicContact CG2-CD1 4.19Å; T367-L730 HydrophobicContact CG2-CG 4.15Å; T367-T733 WeakPolarHBondContact CG2-OG1 3.47Å; T367-T733 PolarHBondContact OG1-OG1 2.83Å; T367-I734 HydrophobicContact CG2-CG1 4.33Å
368	Q	79.4	Confident	81.8	Confident	29 Å²	29	29.5 Å²	29.5	14%	0.136	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-41.8	179.7	-62.6	174.5	20.6	0	0	111.9	I363 S364 R365 F371 S372 I555	I363-Q368 HydrophobicContact CG2-CG 3.83Å; I363-Q368 PolarHBondContact O-NE2 2.79Å; I363-Q368 VanDerWaalsContact O-NE2 3.1Å; S364-Q368 WeakPolarHBondContact O-CG 3.27Å; S364-Q368 PolarHBondContact O-N 3.41Å; R365-Q368 PolarHBondContact O-N 3.39Å; Q368-F371 PolarHBondContact O-N 3.27Å; Q368-S372 WeakPolarHBondContact O-CB 3.42Å; Q368-S372 PolarHBondContact O-N 2.98Å; Q368-I555 HydrophobicContact CG-CD1 4.32Å; Q368-I555 HydrophobicContact CG-CG1 4.41Å; Q368-I555 HydrophobicContact CG-CG2 4.11Å
369	E	84.6	Confident	81.8	Confident	13 Å²	13	29.2 Å²	29.2	6%	0.061	14%	0.139	C	C	.	.	H	α-helix	trans	-72.3	-41.4	-178.9	-67.4	-170.4	157.1	0	0	112.7	R365 T367 F371 S372 I373 V670 Q671 M672 R675	R365-E369 VanDerWaalsContact CD-OE1 3.27Å; R365-E369 WeakPolarHBondContact CD-OE1 3.39Å; R365-E369 VanDerWaalsContact CG-CD 3.42Å; R365-E369 HydrophobicContact CG-CG 3.67Å; R365-E369 VanDerWaalsContact CG-OE1 3.32Å; R365-E369 WeakPolarHBondContact CG-OE1 3.4Å; R365-E369 IonicContact NE-OE1 3.57Å; R365-E369 WeakPolarHBondContact O-CB 3.37Å; R365-E369 VanDerWaalsContact O-CG 3.26Å; R365-E369 WeakPolarHBondContact O-CG 3.36Å; R365-E369 PolarHBondContact O-N 2.86Å; T367-E369 PolarHBondContact O-N 2.73Å; E369-F371 VanDerWaalsContact C-N 3.28Å; E369-F371 PolarHBondContact O-N 3.21Å; E369-S372 PolarHBondContact O-N 3.4Å; E369-I373 PolarHBondContact O-N 3.09Å; E369-V670 HydrophobicContact CB-CG1 3.73Å; E369-V670 HydrophobicContact CG-CG1 3.77Å; E369-Q671 WeakPolarHBondContact OE1-CA 3.39Å; E369-Q671 WeakPolarHBondContact OE1-CB 3.36Å; E369-Q671 PolarHBondContact OE1-N 3.34Å; E369-M672 HydrophobicContact CB-CB 3.81Å; E369-M672 VanDerWaalsContact OE2-CB 3.28Å; E369-M672 WeakPolarHBondContact OE2-CB 3.27Å; E369-M672 PolarHBondContact OE2-N 3.18Å; E369-R675 IonicContact OE2-NH2 2.79Å; E369-R675 PolarHBondContact OE2-NH2 2.87Å
370	I	88.2	Confident	82.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-45.6	173	-69.2	168.2	0	0	0	109.6	F366 L374 M672 Q707 C710 L714	F366-I370 HydrophobicContact CD1-CD1 3.92Å; F366-I370 HydrophobicContact CE1-CD1 3.58Å; F366-I370 HydrophobicContact CE2-CD1 4.27Å; F366-I370 HydrophobicContact CG-CD1 4.39Å; F366-I370 HydrophobicContact CZ-CD1 3.77Å; F366-I370 WeakPolarHBondContact O-CD1 3.4Å; F366-I370 VanDerWaalsContact O-CG1 3.28Å; F366-I370 WeakPolarHBondContact O-CG1 3.23Å; F366-I370 PolarHBondContact O-N 3.1Å; I370-L374 VanDerWaalsContact O-CB 3.28Å; I370-L374 WeakPolarHBondContact O-CB 3.11Å; I370-L374 PolarHBondContact O-N 3.41Å; I370-M672 HydrophobicContact CG1-CE 4.39Å; I370-M672 HydrophobicContact CG1-SD 3.77Å; I370-Q707 HydrophobicContact CD1-CB 4.36Å; I370-Q707 HydrophobicContact CD1-CG 4.26Å; I370-Q707 HydrophobicContact CG1-CB 4.28Å; I370-Q707 HydrophobicContact CG1-CG 4.41Å; I370-C710 HydrophobicContact CD1-CB 3.99Å; I370-L714 HydrophobicContact CG2-CD1 3.47Å; I370-L714 VanDerWaalsContact CG2-CD1 3.47Å
371	F	81.8	Confident	82.7	Confident	19 Å²	19	31.4 Å²	31.4	8%	0.083	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-45.4	178	-174.6	-123.5	0	0	0	112.4	P314 T367 Q368 E369 L374 I375 E552 L730	P314-F371 HydrophobicContact CG-CZ 4.25Å; T367-F371 WeakPolarHBondContact O-CB 3.47Å; T367-F371 PolarHBondContact O-N 2.72Å; Q368-F371 PolarHBondContact O-N 3.27Å; E369-F371 VanDerWaalsContact C-N 3.28Å; E369-F371 PolarHBondContact O-N 3.21Å; F371-L374 WeakPolarHBondContact O-CB 3.45Å; F371-L374 PolarHBondContact O-N 3.49Å; F371-I375 HydrophobicContact CD1-CD1 3.85Å; F371-I375 HydrophobicContact CD2-CD1 4.17Å; F371-I375 HydrophobicContact CD2-CG1 4.48Å; F371-I375 HydrophobicContact CE1-CD1 3.43Å; F371-I375 VanDerWaalsContact CE1-CD1 3.43Å; F371-I375 HydrophobicContact CE2-CD1 3.78Å; F371-I375 HydrophobicContact CE2-CG1 4.2Å; F371-I375 HydrophobicContact CG-CD1 4.21Å; F371-I375 HydrophobicContact CZ-CD1 3.41Å; F371-I375 VanDerWaalsContact CZ-CD1 3.41Å; F371-I375 HydrophobicContact CZ-CG1 4.29Å; F371-I375 WeakPolarHBondContact O-CG1 3.29Å; F371-I375 PolarHBondContact O-N 3.27Å; F371-E552 HydrophobicContact CE1-CG 4.22Å; F371-E552 HydrophobicContact CZ-CG 4.17Å; F371-L730 HydrophobicContact CB-CD1 3.9Å; F371-L730 HydrophobicContact CB-CD2 4.38Å; F371-L730 HydrophobicContact CD2-CD1 3.96Å; F371-L730 HydrophobicContact CD2-CD2 3.58Å; F371-L730 HydrophobicContact CD2-CG 4.42Å; F371-L730 HydrophobicContact CE2-CD2 3.99Å; F371-L730 HydrophobicContact CG-CD1 4.3Å; F371-L730 HydrophobicContact CG-CD2 4.03Å
372	S	79.1	Confident	82.8	Confident	37 Å²	37	28.3 Å²	28.3	26%	0.259	13%	0.134	S	C	.	.	H	α-helix	trans	-61.8	-45.4	179.5	-173.7	0	0	0	0	112.3	Q368 E369 I375 S376	Q368-S372 WeakPolarHBondContact O-CB 3.42Å; Q368-S372 PolarHBondContact O-N 2.98Å; E369-S372 PolarHBondContact O-N 3.4Å; S372-I375 PolarHBondContact O-N 3.16Å; S372-S376 WeakPolarHBondContact O-CB 3.13Å; S372-S376 PolarHBondContact O-N 3.17Å; S372-S376 PolarHBondContact O-OG 3.38Å
373	I	85.9	Confident	83.1	Confident	5 Å²	5	24.1 Å²	24.1	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-38.5	177.4	-71.1	166.2	0	0	0	110.9	E369 S376 L377 L667 V670 M672 W673 I676 L711	E369-I373 PolarHBondContact O-N 3.09Å; I373-S376 WeakPolarHBondContact O-CB 3.18Å; I373-S376 PolarHBondContact O-N 3.17Å; I373-L377 WeakPolarHBondContact O-CB 3.34Å; I373-L377 PolarHBondContact O-N 2.9Å; I373-L667 HydrophobicContact CB-CD2 4.42Å; I373-L667 HydrophobicContact CG1-CD2 3.93Å; I373-L667 HydrophobicContact CG2-CD2 4.35Å; I373-V670 HydrophobicContact CD1-CG1 3.83Å; I373-V670 HydrophobicContact CG1-CG1 3.97Å; I373-M672 HydrophobicContact CD1-CB 3.64Å; I373-M672 HydrophobicContact CD1-CE 4.09Å; I373-M672 HydrophobicContact CD1-CG 3.47Å; I373-M672 VanDerWaalsContact CD1-CG 3.47Å; I373-M672 HydrophobicContact CD1-SD 3.62Å; I373-W673 HydrophobicContact CD1-CB 4.18Å; I373-I676 HydrophobicContact CD1-CD1 4.23Å; I373-L711 HydrophobicContact CG2-CD1 4.25Å; I373-L711 HydrophobicContact CG2-CD2 3.57Å
374	L	85.9	Confident	83.7	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-58.5	-50.3	175.3	179	65.1	0	0	0	111.5	I370 F371 S376 L377 I378 L711 L714 W715 L726	I370-L374 VanDerWaalsContact O-CB 3.28Å; I370-L374 WeakPolarHBondContact O-CB 3.11Å; I370-L374 PolarHBondContact O-N 3.41Å; F371-L374 WeakPolarHBondContact O-CB 3.45Å; F371-L374 PolarHBondContact O-N 3.49Å; L374-S376 VanDerWaalsContact C-N 3.32Å; L374-S376 PolarHBondContact O-N 2.74Å; L374-L377 PolarHBondContact O-N 3.13Å; L374-I378 HydrophobicContact CD1-CD1 4.13Å; L374-I378 HydrophobicContact CD1-CG1 4.42Å; L374-I378 HydrophobicContact CG-CD1 3.93Å; L374-I378 WeakPolarHBondContact O-CB 3.27Å; L374-I378 VanDerWaalsContact O-CG1 3.23Å; L374-I378 WeakPolarHBondContact O-CG1 3.1Å; L374-I378 PolarHBondContact O-N 2.94Å; L374-L711 HydrophobicContact CB-CD1 3.68Å; L374-L711 HydrophobicContact CD1-CD1 4.02Å; L374-L711 HydrophobicContact CG-CD1 4.44Å; L374-L714 HydrophobicContact CD1-CB 4.2Å; L374-L714 HydrophobicContact CD2-CB 3.86Å; L374-L714 HydrophobicContact CD2-CD1 4.15Å; L374-L714 HydrophobicContact CD2-CG 4.45Å; L374-W715 HydrophobicContact CD1-CE3 4.28Å; L374-L726 HydrophobicContact CD2-CD1 4.24Å; L374-L726 HydrophobicContact CD2-CD2 4.18Å; L374-L726 HydrophobicContact CD2-CG 4.41Å
375	I	80.1	Confident	84	Confident	33 Å²	33	28.7 Å²	28.7	17%	0.169	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-45.1	177.3	-68.6	166.3	0	0	0	110.7	P314 F371 S372 L377 I378 F379	P314-I375 HydrophobicContact CG-CD1 4.29Å; P314-I375 HydrophobicContact CG-CG1 4.45Å; F371-I375 HydrophobicContact CD1-CD1 3.85Å; F371-I375 HydrophobicContact CD2-CD1 4.17Å; F371-I375 HydrophobicContact CD2-CG1 4.48Å; F371-I375 HydrophobicContact CE1-CD1 3.43Å; F371-I375 VanDerWaalsContact CE1-CD1 3.43Å; F371-I375 HydrophobicContact CE2-CD1 3.78Å; F371-I375 HydrophobicContact CE2-CG1 4.2Å; F371-I375 HydrophobicContact CG-CD1 4.21Å; F371-I375 HydrophobicContact CZ-CD1 3.41Å; F371-I375 VanDerWaalsContact CZ-CD1 3.41Å; F371-I375 HydrophobicContact CZ-CG1 4.29Å; F371-I375 WeakPolarHBondContact O-CG1 3.29Å; F371-I375 PolarHBondContact O-N 3.27Å; S372-I375 PolarHBondContact O-N 3.16Å; I375-L377 VanDerWaalsContact C-N 3.34Å; I375-L377 PolarHBondContact O-N 2.75Å; I375-I378 WeakPolarHBondContact O-CB 3.01Å; I375-I378 PolarHBondContact O-N 3.35Å; I375-F379 HydrophobicContact CG2-CD2 3.89Å; I375-F379 HydrophobicContact CG2-CE2 3.5Å; I375-F379 VanDerWaalsContact CG2-CE2 3.5Å; I375-F379 HydrophobicContact CG2-CZ 3.98Å; I375-F379 PolarHBondContact O-N 2.94Å
376	S	82.9	Confident	84.1	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-45.9	179	-56.9	0	0	0	0	111.6	S372 I373 L374 F379 I380 G663 S666	S372-S376 WeakPolarHBondContact O-CB 3.13Å; S372-S376 PolarHBondContact O-N 3.17Å; S372-S376 PolarHBondContact O-OG 3.38Å; I373-S376 WeakPolarHBondContact O-CB 3.18Å; I373-S376 PolarHBondContact O-N 3.17Å; L374-S376 VanDerWaalsContact C-N 3.32Å; L374-S376 PolarHBondContact O-N 2.74Å; S376-F379 PolarHBondContact O-N 3.49Å; S376-I380 WeakPolarHBondContact O-CG1 3.33Å; S376-I380 PolarHBondContact O-N 3.41Å; S376-G663 WeakPolarHBondContact CB-O 3.15Å; S376-S666 WeakPolarHBondContact CB-OG 3.21Å; S376-S666 WeakPolarHBondContact OG-CB 3.11Å; S376-S666 PolarHBondContact OG-OG 3.29Å
377	L	86.5	Confident	84.2	Confident	70 Å²	70	27.8 Å²	27.8	37%	0.366	14%	0.139	S	C	.	.	H	α-helix	trans	-68.1	-38.2	179.1	-162.1	152.5	0	0	0	111.6	I373 L374 I375 I380 Y381 W715	I373-L377 WeakPolarHBondContact O-CB 3.34Å; I373-L377 PolarHBondContact O-N 2.9Å; L374-L377 PolarHBondContact O-N 3.13Å; I375-L377 VanDerWaalsContact C-N 3.34Å; I375-L377 PolarHBondContact O-N 2.75Å; L377-I380 PolarHBondContact O-N 2.66Å; L377-Y381 VanDerWaalsContact O-CB 3.31Å; L377-Y381 WeakPolarHBondContact O-CB 3.43Å; L377-Y381 PolarHBondContact O-N 2.99Å; L377-W715 HydrophobicContact CD2-CD2 3.92Å; L377-W715 HydrophobicContact CD2-CE3 3.44Å; L377-W715 VanDerWaalsContact CD2-CE3 3.44Å; L377-W715 HydrophobicContact CD2-CH2 3.38Å; L377-W715 HydrophobicContact CD2-CZ2 3.87Å; L377-W715 HydrophobicContact CD2-CZ3 3.15Å; L377-W715 HydrophobicContact CG-CZ3 4.47Å
378	I	82.5	Confident	84.5	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.072	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-47.5	172.3	-71.2	167.2	0	0	0	110.7	L317 L374 I375 Y381 E382 W715 K718	L317-I378 HydrophobicContact CD1-CD1 4.26Å; L317-I378 HydrophobicContact CD1-CG2 4.26Å; L374-I378 HydrophobicContact CD1-CD1 4.13Å; L374-I378 HydrophobicContact CD1-CG1 4.42Å; L374-I378 HydrophobicContact CG-CD1 3.93Å; L374-I378 WeakPolarHBondContact O-CB 3.27Å; L374-I378 VanDerWaalsContact O-CG1 3.23Å; L374-I378 WeakPolarHBondContact O-CG1 3.1Å; L374-I378 PolarHBondContact O-N 2.94Å; I375-I378 WeakPolarHBondContact O-CB 3.01Å; I375-I378 PolarHBondContact O-N 3.35Å; I378-Y381 PolarHBondContact O-N 3.47Å; I378-E382 VanDerWaalsContact O-CB 3.26Å; I378-E382 WeakPolarHBondContact O-CB 3.41Å; I378-E382 PolarHBondContact O-N 3.1Å; I378-W715 HydrophobicContact CG1-CE3 4.34Å; I378-W715 HydrophobicContact CG1-CZ3 3.73Å; I378-K718 HydrophobicContact CD1-CG 4.2Å; I378-K718 HydrophobicContact CG1-CD 4.48Å; I378-K718 HydrophobicContact CG1-CG 4.45Å
379	F	78.9	Confident	84.9	Confident	36 Å²	36	36.4 Å²	36.4	16%	0.158	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-43.6	179.7	-74.1	-32	0	0	0	112.7	F270 I375 S376 T383	F270-F379 HydrophobicContact CE1-CE1 4.04Å; F270-F379 HydrophobicContact CE1-CZ 4.16Å; F270-F379 HydrophobicContact CZ-CE1 4.14Å; F270-F379 AromaticContact CZ-CZ 3.8Å; F270-F379 HydrophobicContact CZ-CZ 3.8Å; I375-F379 HydrophobicContact CG2-CD2 3.89Å; I375-F379 HydrophobicContact CG2-CE2 3.5Å; I375-F379 VanDerWaalsContact CG2-CE2 3.5Å; I375-F379 HydrophobicContact CG2-CZ 3.98Å; I375-F379 PolarHBondContact O-N 2.94Å; S376-F379 PolarHBondContact O-N 3.49Å; F379-T383 WeakPolarHBondContact O-CB 3.21Å; F379-T383 PolarHBondContact O-N 3.22Å; F379-T383 VanDerWaalsContact O-N 3.1Å; F379-T383 PolarHBondContact O-OG1 2.84Å
380	I	86.7	Confident	85	Confident	44 Å²	44	36.5 Å²	36.5	23%	0.226	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-51.1	176.5	-65.8	167.7	0	0	0	109.8	S376 L377 T383 F384 L660 I664 L667	S376-I380 WeakPolarHBondContact O-CG1 3.33Å; S376-I380 PolarHBondContact O-N 3.41Å; L377-I380 PolarHBondContact O-N 2.66Å; I380-T383 PolarHBondContact O-N 3.36Å; I380-F384 HydrophobicContact CG2-CD2 4.13Å; I380-F384 HydrophobicContact CG2-CE2 4.09Å; I380-F384 VanDerWaalsContact O-CD2 3.3Å; I380-F384 WeakPolarHBondContact O-CD2 3.31Å; I380-F384 PolarHBondContact O-N 2.99Å; I380-L660 HydrophobicContact CG1-CD1 4.31Å; I380-L660 HydrophobicContact CG2-CD1 4.2Å; I380-I664 HydrophobicContact CD1-CG1 3.96Å; I380-I664 HydrophobicContact CG1-CG1 4.24Å; I380-L667 HydrophobicContact CD1-CD1 4.32Å
381	Y	88.3	Confident	85	Confident	101 Å²	101	39.3 Å²	39.3	40%	0.396	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-49	-179.9	173	-93.3	0	0	0	112.9	L377 I378 T383 F384 A385 W715	L377-Y381 VanDerWaalsContact O-CB 3.31Å; L377-Y381 WeakPolarHBondContact O-CB 3.43Å; L377-Y381 PolarHBondContact O-N 2.99Å; I378-Y381 PolarHBondContact O-N 3.47Å; Y381-T383 PolarHBondContact O-N 3.08Å; Y381-F384 PolarHBondContact O-N 3.49Å; Y381-A385 HydrophobicContact CE1-CB 4.25Å; Y381-A385 WeakPolarHBondContact O-CB 3.3Å; Y381-A385 PolarHBondContact O-N 2.99Å; Y381-W715 AromaticContact CD1-CH2 3.87Å; Y381-W715 HydrophobicContact CD1-CH2 3.87Å; Y381-W715 HydrophobicContact CD1-CZ2 4.32Å; Y381-W715 HydrophobicContact CD2-CH2 4.04Å; Y381-W715 AromaticContact CD2-CZ2 3.91Å; Y381-W715 HydrophobicContact CD2-CZ2 3.91Å; Y381-W715 HydrophobicContact CE2-CZ2 4.32Å; Y381-W715 AromaticContact CG-CH2 3.55Å; Y381-W715 HydrophobicContact CG-CH2 3.55Å; Y381-W715 AromaticContact CG-CZ2 3.9Å; Y381-W715 HydrophobicContact CG-CZ2 3.9Å
382	E	79.6	Confident	85.3	Confident	34 Å²	34	46.1 Å²	46.1	16%	0.159	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-35.9	-177.5	-174.6	68.1	-169.8	0	0	111.3	K277 I378 A385 K386	K277-E382 WeakPolarHBondContact CE-OE1 3.34Å; K277-E382 IonicContact NZ-OE1 3.83Å; K277-E382 PolarHBondContact NZ-OE1 3.26Å; I378-E382 VanDerWaalsContact O-CB 3.26Å; I378-E382 WeakPolarHBondContact O-CB 3.41Å; I378-E382 PolarHBondContact O-N 3.1Å; E382-A385 PolarHBondContact O-N 3.4Å; E382-K386 HydrophobicContact CG-CD 4.29Å; E382-K386 WeakPolarHBondContact O-CB 3.41Å; E382-K386 WeakPolarHBondContact O-CG 3.28Å; E382-K386 PolarHBondContact O-N 3.08Å; E382-K386 WeakPolarHBondContact OE1-CE 3.44Å; E382-K386 IonicContact OE1-NZ 3.16Å; E382-K386 PolarHBondContact OE1-NZ 2.84Å
383	T	84.8	Confident	85.6	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-51.1	176.3	-55.3	0	0	0	0	111	F379 I380 Y381 K386 L387 M449 F656 L660	F379-T383 WeakPolarHBondContact O-CB 3.21Å; F379-T383 PolarHBondContact O-N 3.22Å; F379-T383 VanDerWaalsContact O-N 3.1Å; F379-T383 PolarHBondContact O-OG1 2.84Å; I380-T383 PolarHBondContact O-N 3.36Å; Y381-T383 PolarHBondContact O-N 3.08Å; T383-K386 PolarHBondContact O-N 3.03Å; T383-L387 PolarHBondContact O-N 3.21Å; T383-M449 HydrophobicContact CG2-SD 3.8Å; T383-F656 HydrophobicContact CG2-CB 3.92Å; T383-F656 WeakPolarHBondContact CG2-O 3.34Å; T383-L660 HydrophobicContact CG2-CB 4.15Å
384	F	91	Very high	85.6	Confident	80 Å²	80	46.8 Å²	46.8	35%	0.351	22%	0.223	S	C	.	.	H	α-helix	trans	-66.8	-38.1	177.8	-78.4	-75.2	0	0	0	112.2	I380 Y381 K386 L387 I388 F450 L660	I380-F384 HydrophobicContact CG2-CD2 4.13Å; I380-F384 HydrophobicContact CG2-CE2 4.09Å; I380-F384 VanDerWaalsContact O-CD2 3.3Å; I380-F384 WeakPolarHBondContact O-CD2 3.31Å; I380-F384 PolarHBondContact O-N 2.99Å; Y381-F384 PolarHBondContact O-N 3.49Å; F384-K386 VanDerWaalsContact C-N 3.3Å; F384-K386 PolarHBondContact O-N 2.94Å; F384-L387 PolarHBondContact O-N 3.41Å; F384-I388 WeakPolarHBondContact O-CB 3.37Å; F384-I388 WeakPolarHBondContact O-CD1 3.47Å; F384-I388 VanDerWaalsContact O-CG1 3.24Å; F384-I388 WeakPolarHBondContact O-CG1 3.26Å; F384-I388 PolarHBondContact O-N 3.1Å; F384-F450 HydrophobicContact CE1-CE1 4.43Å; F384-F450 AromaticContact CE1-CZ 3.93Å; F384-F450 HydrophobicContact CE1-CZ 3.93Å; F384-F450 HydrophobicContact CZ-CE1 4.42Å; F384-F450 HydrophobicContact CZ-CZ 4.36Å; F384-L660 HydrophobicContact CE2-CD1 3.89Å; F384-L660 HydrophobicContact CZ-CD2 4.49Å
385	A	86.9	Confident	85.6	Confident	33 Å²	33	48.9 Å²	48.9	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-40.8	176.1	0	0	0	0	0	111.8	Y381 E382 I388 K389	Y381-A385 HydrophobicContact CE1-CB 4.25Å; Y381-A385 WeakPolarHBondContact O-CB 3.3Å; Y381-A385 PolarHBondContact O-N 2.99Å; E382-A385 PolarHBondContact O-N 3.4Å; A385-I388 PolarHBondContact O-N 2.92Å; A385-K389 PolarHBondContact O-N 3.27Å
386	K	82.7	Confident	85.9	Confident	14 Å²	14	52.1 Å²	52.1	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-41.7	174.9	-78.2	175.4	172.6	148.8	0	112.8	L273 E382 T383 F384 I388 K389 I390 F656	L273-K386 VanDerWaalsContact CD1-NZ 3.29Å; L273-K386 HydrophobicContact CD2-CD 4.11Å; E382-K386 HydrophobicContact CG-CD 4.29Å; E382-K386 WeakPolarHBondContact O-CB 3.41Å; E382-K386 WeakPolarHBondContact O-CG 3.28Å; E382-K386 PolarHBondContact O-N 3.08Å; E382-K386 WeakPolarHBondContact OE1-CE 3.44Å; E382-K386 IonicContact OE1-NZ 3.16Å; E382-K386 PolarHBondContact OE1-NZ 2.84Å; T383-K386 PolarHBondContact O-N 3.03Å; F384-K386 VanDerWaalsContact C-N 3.3Å; F384-K386 PolarHBondContact O-N 2.94Å; K386-I388 VanDerWaalsContact C-N 3.29Å; K386-I388 PolarHBondContact O-N 3.42Å; K386-K389 WeakPolarHBondContact O-CB 3.42Å; K386-K389 PolarHBondContact O-N 3.21Å; K386-K389 VanDerWaalsContact O-N 3.14Å; K386-I390 WeakPolarHBondContact O-CG1 3.47Å; K386-I390 PolarHBondContact O-N 2.7Å; K386-F656 HydrophobicContact CB-CD2 4.15Å; K386-F656 HydrophobicContact CB-CE2 3.73Å; K386-F656 HydrophobicContact CB-CZ 4.02Å; K386-F656 HydrophobicContact CD-CD1 4.35Å; K386-F656 HydrophobicContact CD-CE1 3.76Å; K386-F656 HydrophobicContact CD-CE2 4.29Å; K386-F656 HydrophobicContact CD-CZ 3.73Å; K386-F656 HydrophobicContact CG-CZ 4.33Å
387	L	88.9	Confident	86	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-45.8	172.3	-176	67.6	0	0	0	110.6	T383 F384 K389 I390 F391 M446 M449 F450	T383-L387 PolarHBondContact O-N 3.21Å; F384-L387 PolarHBondContact O-N 3.41Å; L387-K389 VanDerWaalsContact C-N 3.31Å; L387-K389 PolarHBondContact O-N 2.86Å; L387-I390 WeakPolarHBondContact O-CB 3.25Å; L387-I390 PolarHBondContact O-N 2.74Å; L387-I390 VanDerWaalsContact O-N 3.13Å; L387-F391 HydrophobicContact CD1-CD2 4.19Å; L387-F391 HydrophobicContact CD1-CE2 3.9Å; L387-F391 HydrophobicContact CG-CD2 4.13Å; L387-F391 HydrophobicContact CG-CE2 4.05Å; L387-F391 WeakPolarHBondContact O-CD2 3.35Å; L387-F391 PolarHBondContact O-N 2.89Å; L387-M446 HydrophobicContact CD1-CB 4.19Å; L387-M446 HydrophobicContact CD2-CG 4.39Å; L387-M449 HydrophobicContact CB-SD 4.17Å; L387-M449 HydrophobicContact CD1-SD 4.26Å; L387-M449 HydrophobicContact CD2-CE 3.69Å; L387-M449 HydrophobicContact CD2-SD 4.05Å; L387-M449 HydrophobicContact CG-SD 4.39Å; L387-F450 HydrophobicContact CD2-CE2 4.37Å
388	I	90.6	Very high	85.5	Confident	92 Å²	92	60.9 Å²	60.9	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-38.8	176.4	-67.4	163.3	0	0	0	111.1	F384 A385 K386 I390 F391 K392	F384-I388 WeakPolarHBondContact O-CB 3.37Å; F384-I388 WeakPolarHBondContact O-CD1 3.47Å; F384-I388 VanDerWaalsContact O-CG1 3.24Å; F384-I388 WeakPolarHBondContact O-CG1 3.26Å; F384-I388 PolarHBondContact O-N 3.1Å; A385-I388 PolarHBondContact O-N 2.92Å; K386-I388 VanDerWaalsContact C-N 3.29Å; K386-I388 PolarHBondContact O-N 3.42Å; I388-I390 VanDerWaalsContact C-N 3.34Å; I388-I390 PolarHBondContact O-N 2.87Å; I388-F391 PolarHBondContact O-N 3.33Å; I388-K392 HydrophobicContact CG2-CD 4.46Å; I388-K392 WeakPolarHBondContact O-CG 3.38Å; I388-K392 PolarHBondContact O-N 3.43Å
389	K	86.4	Confident	85.2	Confident	118 Å²	118	66.9 Å²	66.9	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-41.9	173.8	-172.9	-174.1	174.4	-166.8	0	111.4	A385 K386 L387 K392 T393	A385-K389 PolarHBondContact O-N 3.27Å; K386-K389 WeakPolarHBondContact O-CB 3.42Å; K386-K389 PolarHBondContact O-N 3.21Å; K386-K389 VanDerWaalsContact O-N 3.14Å; L387-K389 VanDerWaalsContact C-N 3.31Å; L387-K389 PolarHBondContact O-N 2.86Å; K389-K392 PolarHBondContact O-N 3.29Å; K389-K392 VanDerWaalsContact O-N 3.16Å; K389-T393 WeakPolarHBondContact O-CB 3.39Å; K389-T393 PolarHBondContact O-N 3.43Å; K389-T393 PolarHBondContact O-OG1 3.46Å
390	I	86.3	Confident	85	Confident	16 Å²	16	67.2 Å²	67.2	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-45	174.3	-68.9	173.3	0	0	0	110.5	K386 L387 I388 K392 T393 H394 T653 F656	K386-I390 WeakPolarHBondContact O-CG1 3.47Å; K386-I390 PolarHBondContact O-N 2.7Å; L387-I390 WeakPolarHBondContact O-CB 3.25Å; L387-I390 PolarHBondContact O-N 2.74Å; L387-I390 VanDerWaalsContact O-N 3.13Å; I388-I390 VanDerWaalsContact C-N 3.34Å; I388-I390 PolarHBondContact O-N 2.87Å; I390-K392 PolarHBondContact O-N 3.37Å; I390-T393 PolarHBondContact O-N 2.75Å; I390-T393 VanDerWaalsContact O-N 3.15Å; I390-H394 PolarHBondContact O-N 3.47Å; I390-T653 HydrophobicContact CD1-CG2 3.76Å; I390-F656 HydrophobicContact CD1-CD2 4.32Å; I390-F656 HydrophobicContact CD1-CE2 3.75Å
391	F	89.5	Confident	84.1	Confident	58 Å²	58	72.3 Å²	72.3	25%	0.254	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-27.7	175.7	-89.2	-106	0	0	0	113.4	L387 I388 H394 P395 L396 A442 L443 M446	L387-F391 HydrophobicContact CD1-CD2 4.19Å; L387-F391 HydrophobicContact CD1-CE2 3.9Å; L387-F391 HydrophobicContact CG-CD2 4.13Å; L387-F391 HydrophobicContact CG-CE2 4.05Å; L387-F391 WeakPolarHBondContact O-CD2 3.35Å; L387-F391 PolarHBondContact O-N 2.89Å; I388-F391 PolarHBondContact O-N 3.33Å; F391-H394 CarbonylContact O-C 3.13Å; F391-P395 VanDerWaalsContact O-CA 3.3Å; F391-P395 WeakPolarHBondContact O-CA 3.41Å; F391-L396 HydrophobicContact CE1-CD1 4.12Å; F391-A442 HydrophobicContact CD1-CB 4.13Å; F391-A442 HydrophobicContact CD2-CB 4Å; F391-A442 HydrophobicContact CE1-CB 4.22Å; F391-A442 HydrophobicContact CE2-CB 4.09Å; F391-A442 VanDerWaalsContact CE2-O 3.31Å; F391-A442 WeakPolarHBondContact CE2-O 3.31Å; F391-A442 HydrophobicContact CG-CB 4.03Å; F391-A442 HydrophobicContact CZ-CB 4.21Å; F391-L443 HydrophobicContact CZ-CD2 4.38Å; F391-M446 HydrophobicContact CE2-CB 4.1Å; F391-M446 HydrophobicContact CZ-CB 4.22Å; F391-M446 HydrophobicContact CZ-SD 4.05Å
392	K	88.7	Confident	82.9	Confident	162 Å²	162	76 Å²	76	70%	0.704	38%	0.376	S	S	*	.	H	α-helix	trans	-78.1	-36	173	-71.9	178	179.1	-176.4	0	112.7	I388 K389 I390	I388-K392 HydrophobicContact CG2-CD 4.46Å; I388-K392 WeakPolarHBondContact O-CG 3.38Å; I388-K392 PolarHBondContact O-N 3.43Å; K389-K392 PolarHBondContact O-N 3.29Å; K389-K392 VanDerWaalsContact O-N 3.16Å; I390-K392 PolarHBondContact O-N 3.37Å
393	T	84.1	Confident	82.2	Confident	41 Å²	41	76.2 Å²	76.2	25%	0.252	38%	0.378	S	S	.	.	H	α-helix	trans	-75.7	-35.4	-179	-49.6	0	0	0	0	111.1	K389 I390 P395 E435	K389-T393 WeakPolarHBondContact O-CB 3.39Å; K389-T393 PolarHBondContact O-N 3.43Å; K389-T393 PolarHBondContact O-OG1 3.46Å; I390-T393 PolarHBondContact O-N 2.75Å; I390-T393 VanDerWaalsContact O-N 3.15Å; T393-P395 VanDerWaalsContact C-CD 3.48Å; T393-P395 WeakPolarHBondContact O-CD 3.39Å; T393-E435 HydrophobicContact CG2-CB 4.5Å
394	H	85.6	Confident	81.1	Confident	15 Å²	15	80.2 Å²	80.2	7%	0.069	40%	0.399	C	S	.	.	S	Bend	trans	-120.4	73.2	175.4	-55.4	-51.8	0	0	0	109.2	I390 F391 R436 Y438 T441 A442	I390-H394 PolarHBondContact O-N 3.47Å; F391-H394 CarbonylContact O-C 3.13Å; H394-R436 PolarHBondContact CE1-O 3.5Å; H394-R436 VanDerWaalsContact CE1-O 3.27Å; H394-R436 PolarHBondContact ND1-O 2.94Å; H394-Y438 AromaticContact CE1-CD2 3.8Å; H394-Y438 PolarHBondContact ND1-N 3.39Å; H394-T441 HydrophobicContact CB-CG2 4.48Å; H394-T441 WeakPolarHBondContact CD2-CG2 3.46Å; H394-A442 HydrophobicContact CB-CB 4.37Å; H394-A442 WeakPolarHBondContact O-CB 3.32Å
395	P	86.6	Confident	79.5	Confident	47 Å²	47	83 Å²	83	31%	0.305	42%	0.418	S	S	.	.			trans	-67.2	144.6	-177.4	29.8	-36	0	0	0	111	F391 T393 I397 Y400	F391-P395 VanDerWaalsContact O-CA 3.3Å; F391-P395 WeakPolarHBondContact O-CA 3.41Å; T393-P395 VanDerWaalsContact C-CD 3.48Å; T393-P395 WeakPolarHBondContact O-CD 3.39Å; P395-I397 VanDerWaalsContact C-N 3.26Å; P395-I397 HydrophobicContact CB-CG2 4.3Å; P395-I397 HydrophobicContact CG-CG2 4.28Å; P395-I397 PolarHBondContact O-N 3.39Å; P395-Y400 PolarHBondContact O-OH 3.39Å
396	L	87.1	Confident	78.1	Confident	101 Å²	101	87.2 Å²	87.2	53%	0.529	44%	0.44	S	S	.	.			trans	-74.6	78.1	177.8	-57	178.6	0	0	0	110.6	F391 A442 L443	F391-L396 HydrophobicContact CE1-CD1 4.12Å; L396-A442 HydrophobicContact CD2-CB 4.23Å; L396-L443 HydrophobicContact CD1-CD2 4.33Å; L396-L443 HydrophobicContact CD1-CG 4.47Å; L396-L443 HydrophobicContact CD2-CD1 4.27Å; L396-L443 HydrophobicContact CD2-CG 4.02Å
397	I	84.8	Confident	77	Confident	84 Å²	84	90.3 Å²	90.3	43%	0.431	46%	0.457	S	S	.	.			trans	-99.6	156.1	175	58.9	-179.9	0	0	0	110.8	P395 N399 Y400	P395-I397 VanDerWaalsContact C-N 3.26Å; P395-I397 HydrophobicContact CB-CG2 4.3Å; P395-I397 HydrophobicContact CG-CG2 4.28Å; P395-I397 PolarHBondContact O-N 3.39Å; I397-N399 VanDerWaalsContact CD1-O 3.31Å; I397-N399 WeakPolarHBondContact CD1-O 3.34Å; I397-Y400 HydrophobicContact CD1-CD1 4.11Å; I397-Y400 HydrophobicContact CD1-CE1 4.14Å; I397-Y400 HydrophobicContact CD1-CG 4.48Å; I397-Y400 HydrophobicContact CG1-CD1 3.99Å; I397-Y400 HydrophobicContact CG1-CD2 4.14Å; I397-Y400 HydrophobicContact CG1-CE1 3.66Å; I397-Y400 HydrophobicContact CG1-CE2 3.86Å; I397-Y400 HydrophobicContact CG1-CG 4.21Å; I397-Y400 PolarHBondContact N-OH 3.28Å; I397-Y400 WeakPolarHBondContact O-CE2 3.1Å
398	L	75.4	Confident	75.3	Confident	170 Å²	170	97.6 Å²	97.6	89%	0.89	50%	0.496	S	S	*	.	S	Bend	trans	-80	-33.7	178.6	-136.3	82.4	0	0	0	112.1
399	N	75.8	Confident	73.7	Confident	140 Å²	140	99 Å²	99	75%	0.749	51%	0.505	S	S	*	.			trans	-110.8	102.7	-174.7	-63	-19.8	0	0	0	109.5	I397	I397-N399 VanDerWaalsContact CD1-O 3.31Å; I397-N399 WeakPolarHBondContact CD1-O 3.34Å
400	Y	74.9	Confident	72.3	Confident	43 Å²	43	95.3 Å²	95.3	17%	0.169	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-94.9	151.1	168.9	-66.6	-94.7	0	0	0	109.8	P395 I397 H402 Y438 P439	P395-Y400 PolarHBondContact O-OH 3.39Å; I397-Y400 HydrophobicContact CD1-CD1 4.11Å; I397-Y400 HydrophobicContact CD1-CE1 4.14Å; I397-Y400 HydrophobicContact CD1-CG 4.48Å; I397-Y400 HydrophobicContact CG1-CD1 3.99Å; I397-Y400 HydrophobicContact CG1-CD2 4.14Å; I397-Y400 HydrophobicContact CG1-CE1 3.66Å; I397-Y400 HydrophobicContact CG1-CE2 3.86Å; I397-Y400 HydrophobicContact CG1-CG 4.21Å; I397-Y400 PolarHBondContact N-OH 3.28Å; I397-Y400 WeakPolarHBondContact O-CE2 3.1Å; Y400-H402 PolarHBondContact O-N 3.34Å; Y400-Y438 VanDerWaalsContact CE1-C 3.46Å; Y400-P439 HydrophobicContact CD1-CB 4.26Å; Y400-P439 HydrophobicContact CD2-CB 3.62Å; Y400-P439 HydrophobicContact CD2-CG 4.34Å; Y400-P439 HydrophobicContact CE1-CB 4.21Å; Y400-P439 HydrophobicContact CE2-CB 3.52Å; Y400-P439 HydrophobicContact CG-CB 3.99Å; Y400-P439 HydrophobicContact CG-CG 4.29Å
401	E	67.8	Low	71.1	Confident	151 Å²	151	97.6 Å²	97.6	71%	0.706	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-62.5	129.6	165.2	-75.7	-179.5	150.9	0	0	109	R436	E401-R436 PolarHBondContact O-NH2 3.02Å; E401-R436 IonicContact OE2-NE 2.85Å
402	H	63.2	Low	69.6	Low	178 Å²	178	98.2 Å²	98.2	82%	0.824	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-60.8	137.2	-178.9	-67.9	-75.4	0	0	0	112.1	Y400 R436	Y400-H402 PolarHBondContact O-N 3.34Å; H402-R436 PolarHBondContact O-NH2 3.36Å
403	L	64.7	Low	68.1	Low	39 Å²	39	93.7 Å²	93.7	20%	0.204	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-71.6	146.1	169.5	-81.9	79.4	0	0	0	108.9	D405 P410 F411 Y438	L403-D405 PolarHBondContact O-N 3.05Å; L403-P410 HydrophobicContact CD2-CB 3.61Å; L403-P410 WeakPolarHBondContact CD2-O 3.25Å; L403-F411 HydrophobicContact CD2-CD1 3.66Å; L403-F411 HydrophobicContact CD2-CE1 3.61Å; L403-F411 HydrophobicContact CD2-CG 4.42Å; L403-F411 HydrophobicContact CD2-CZ 4.33Å; L403-Y438 HydrophobicContact CD1-CD1 4.26Å; L403-Y438 HydrophobicContact CD1-CE1 4.49Å; L403-Y438 HydrophobicContact CD2-CD1 4.49Å; L403-Y438 HydrophobicContact CD2-CE1 4.29Å
404	N	61.4	Low	66.7	Low	87 Å²	87	94 Å²	94	47%	0.465	50%	0.495	S	S	.	.			trans	-89.7	98.3	173.7	-177.3	9.8	0	0	0	108.4	T406 L407	N404-T406 VanDerWaalsContact CG-OG1 3.3Å; N404-T406 PolarHBondContact ND2-OG1 3.27Å; N404-T406 PolarHBondContact O-N 2.95Å; N404-T406 PolarHBondContact OD1-N 2.94Å; N404-T406 PolarHBondContact OD1-OG1 3.4Å; N404-L407 HydrophobicContact CB-CD1 4.13Å; N404-L407 PolarHBondContact O-N 3.09Å
405	D	58.1	Low	65.3	Low	139 Å²	139	98 Å²	98	74%	0.743	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-2.7	-175.5	-63.8	-26.5	0	0	0	114.2	L403	L403-D405 PolarHBondContact O-N 3.05Å
406	T	57.4	Low	63.8	Low	121 Å²	121	101.9 Å²	101.9	74%	0.742	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.6	177.3	60	0	0	0	0	114.2	N404	N404-T406 VanDerWaalsContact CG-OG1 3.3Å; N404-T406 PolarHBondContact ND2-OG1 3.27Å; N404-T406 PolarHBondContact O-N 2.95Å; N404-T406 PolarHBondContact OD1-N 2.94Å; N404-T406 PolarHBondContact OD1-OG1 3.4Å
407	L	58.8	Low	62.1	Low	79 Å²	79	103.6 Å²	103.6	41%	0.414	53%	0.533	S	S	.	.	S	Bend	trans	-91.2	139.5	177.7	-78.1	155	0	0	0	111.3	N404 N409	N404-L407 HydrophobicContact CB-CD1 4.13Å; N404-L407 PolarHBondContact O-N 3.09Å; L407-N409 PolarHBondContact O-N 2.89Å
408	D	55	Low	60.6	Low	169 Å²	169	104 Å²	104	90%	0.904	53%	0.533	S	S	*	.	S	Bend	trans	-56.2	-21.7	175.7	-76.9	-23.7	0	0	0	113.7
409	N	56.8	Low	59.7	Low	122 Å²	122	99.4 Å²	99.4	65%	0.652	51%	0.512	S	S	*	.			trans	-131.6	101.8	169.3	-86.6	-48.9	0	0	0	110.4	L407 F411	L407-N409 PolarHBondContact O-N 2.89Å; N409-F411 PolarHBondContact O-N 3.01Å
410	P	57.1	Low	58.6	Low	39 Å²	39	96 Å²	96	25%	0.253	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.8	178.1	-22.1	32.1	0	0	0	112.8	L403 H412	L403-P410 HydrophobicContact CD2-CB 3.61Å; L403-P410 WeakPolarHBondContact CD2-O 3.25Å; P410-H412 PolarHBondContact O-N 3.47Å
411	F	61.5	Low	57.7	Low	64 Å²	64	100.2 Å²	100.2	28%	0.281	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	34.4	-173.8	-54.4	-71	0	0	0	114.4	L403 N409 Y438 Y499	L403-F411 HydrophobicContact CD2-CD1 3.66Å; L403-F411 HydrophobicContact CD2-CE1 3.61Å; L403-F411 HydrophobicContact CD2-CG 4.42Å; L403-F411 HydrophobicContact CD2-CZ 4.33Å; N409-F411 PolarHBondContact O-N 3.01Å; F411-Y438 HydrophobicContact CB-CE1 4.5Å; F411-Y438 AromaticContact CD1-CD1 3.81Å; F411-Y438 HydrophobicContact CD1-CD1 3.81Å; F411-Y438 AromaticContact CD1-CE1 3.69Å; F411-Y438 HydrophobicContact CD1-CE1 3.69Å; F411-Y438 HydrophobicContact CD1-CG 4.4Å; F411-Y438 HydrophobicContact CE1-CD1 4.24Å; F411-Y438 PolarHBondContact O-OH 3.38Å; F411-Y499 HydrophobicContact CB-CD2 3.82Å; F411-Y499 HydrophobicContact CB-CE2 4.4Å; F411-Y499 HydrophobicContact CD1-CD2 4.2Å; F411-Y499 HydrophobicContact CD1-CG 4.22Å; F411-Y499 AromaticContact CG-CD2 4Å; F411-Y499 HydrophobicContact CG-CD2 4Å; F411-Y499 HydrophobicContact CG-CG 4.47Å
412	H	56.1	Low	57.3	Low	71 Å²	71	97.6 Å²	97.6	33%	0.329	50%	0.503	S	S	.	.			trans	-68.9	143.3	179.9	66.1	-81	0	0	0	112.6	P410 Y438	P410-H412 PolarHBondContact O-N 3.47Å; H412-Y438 PolarHBondContact O-OH 3.48Å
413	P	57.8	Low	57	Low	67 Å²	67	94.8 Å²	94.8	44%	0.435	50%	0.504	S	S	.	.			trans	-65.8	139.9	170.8	26.9	-32.2	0	0	0	110.4	I415	P413-I415 PolarHBondContact O-N 3.11Å
414	V	54.8	Low	57	Low	49 Å²	49	99.7 Å²	99.7	30%	0.297	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.4	176.7	-178.6	0	0	0	0	108	K416 V434 R436	V414-K416 HydrophobicContact CG1-CG 4.26Å; V414-K416 PolarHBondContact O-N 2.93Å; V414-V434 PolarHBondContact N-O 3.32Å; V414-V434 PolarHBondContact O-N 3.39Å; V414-R436 HydrophobicContact CG2-CB 4.4Å
415	I	56.4	Low	57.1	Low	99 Å²	99	98.3 Å²	98.3	51%	0.508	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.2	174.2	-55.3	171.5	0	0	0	107.7	P413 E431	P413-I415 PolarHBondContact O-N 3.11Å; I415-E431 HydrophobicContact CG2-CB 4.03Å; I415-E431 HydrophobicContact CG2-CG 4.19Å
416	K	54.1	Low	57.3	Low	127 Å²	127	97 Å²	97	55%	0.552	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.1	168.9	-68.4	-169.1	-177.3	178.5	0	108.9	V414 H418 M432 V434	V414-K416 HydrophobicContact CG1-CG 4.26Å; V414-K416 PolarHBondContact O-N 2.93Å; K416-H418 PolarHBondContact O-N 3.37Å; K416-M432 PolarHBondContact N-O 3.4Å; K416-M432 PolarHBondContact O-N 3.3Å; K416-V434 HydrophobicContact CB-CG2 4.32Å; K416-V434 HydrophobicContact CD-CG2 4.07Å; K416-V434 HydrophobicContact CG-CG2 4.19Å
417	E	52.2	Low	57.5	Low	138 Å²	138	94.8 Å²	94.8	65%	0.645	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.3	171.7	-69.1	-178.8	-180	0	0	109.4	V429	E417-V429 HydrophobicContact CB-CG1 3.99Å; E417-V429 HydrophobicContact CG-CG1 4.04Å
418	H	52.8	Low	57.4	Low	92 Å²	92	93.5 Å²	93.5	43%	0.426	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.1	172.3	-162.5	69.5	0	0	0	109.9	K416 E420 K430 M432	K416-H418 PolarHBondContact O-N 3.37Å; H418-E420 PolarHBondContact O-N 3.35Å; H418-K430 PolarHBondContact N-O 3.07Å; H418-K430 PolarHBondContact O-N 3.44Å; H418-M432 HydrophobicContact CB-CE 3.41Å; H418-M432 VanDerWaalsContact CB-CE 3.41Å; H418-M432 VanDerWaalsContact CG-CE 3.46Å
419	T	56.3	Low	57.4	Low	74 Å²	74	89.2 Å²	89.2	45%	0.454	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	98.3	-177.3	-47.5	0	0	0	0	109.3	V427	T419-V427 HydrophobicContact CG2-CG1 3.19Å
420	E	53	Low	57.3	Low	68 Å²	68	88.2 Å²	88.2	32%	0.318	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.8	170.7	-82.5	174.4	-159.2	0	0	108.8	H418 T428 K430	H418-E420 PolarHBondContact O-N 3.35Å; E420-T428 PolarHBondContact N-O 3.41Å; E420-T428 PolarHBondContact O-N 3.13Å; E420-T428 PolarHBondContact O-OG1 3.4Å; E420-K430 IonicContact OE1-NZ 3.83Å; E420-K430 PolarHBondContact OE1-NZ 2.88Å; E420-K430 IonicContact OE2-NZ 2.68Å; E420-K430 PolarHBondContact OE2-NZ 2.86Å
421	I	56.8	Low	57	Low	131 Å²	131	93.1 Å²	93.1	67%	0.672	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.7	173	-55	173.4	0	0	0	107.3
422	H	59.5	Low	56.4	Low	97 Å²	97	94.6 Å²	94.6	45%	0.449	51%	0.509	S	S	.	.			trans	-71.2	154.3	172.6	-96	64.7	0	0	0	111	D424 G425 N426	H422-D424 PolarHBondContact O-N 2.93Å; H422-G425 PolarHBondContact O-N 3.2Å; H422-N426 PolarHBondContact N-O 2.93Å
423	S	57.3	Low	56.4	Low	119 Å²	119	97 Å²	97	83%	0.832	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.1	176.4	49.2	0	0	0	0	114.3
424	D	63.7	Low	56.3	Low	142 Å²	142	96.8 Å²	96.8	76%	0.759	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	5.7	-179.9	-55.7	-26.3	0	0	0	113.4	H422 N426	H422-D424 PolarHBondContact O-N 2.93Å; D424-N426 VanDerWaalsContact C-N 3.3Å; D424-N426 PolarHBondContact O-N 3.24Å
425	G	63.2	Low	56.6	Low	58 Å²	58	100.6 Å²	100.6	60%	0.598	53%	0.532	S	S	*	.	S	Bend	trans	81	3.5	-179.5	0	0	0	0	0	115	H422	H422-G425 PolarHBondContact O-N 3.2Å
426	N	62	Low	57.2	Low	110 Å²	110	97.8 Å²	97.8	59%	0.588	52%	0.515	S	S	*	.			trans	-80.7	135.5	174.9	-158.3	10.4	0	0	0	110.8	H422 D424	H422-N426 PolarHBondContact N-O 2.93Å; D424-N426 VanDerWaalsContact C-N 3.3Å; D424-N426 PolarHBondContact O-N 3.24Å
427	V	62.1	Low	58.2	Low	75 Å²	75	93.4 Å²	93.4	46%	0.455	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.4	-176.7	178.3	0	0	0	0	109	T419 V429	T419-V427 HydrophobicContact CG2-CG1 3.19Å; V427-V429 HydrophobicContact CG1-CG2 4.38Å
428	T	56.7	Low	59.5	Low	52 Å²	52	87.3 Å²	87.3	32%	0.319	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.1	171.1	50.6	0	0	0	0	109.3	E420 K430	E420-T428 PolarHBondContact N-O 3.41Å; E420-T428 PolarHBondContact O-N 3.13Å; E420-T428 PolarHBondContact O-OG1 3.4Å; T428-K430 PolarHBondContact O-N 2.92Å
429	V	55.7	Low	60.9	Low	79 Å²	79	85 Å²	85	48%	0.479	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	111	171.3	-175.6	0	0	0	0	107.6	E417 V427	E417-V429 HydrophobicContact CB-CG1 3.99Å; E417-V429 HydrophobicContact CG-CG1 4.04Å; V427-V429 HydrophobicContact CG1-CG2 4.38Å
430	K	54	Low	62.3	Low	102 Å²	102	86.4 Å²	86.4	44%	0.443	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.1	169	-73.7	177.8	-175.3	158.7	0	108.2	H418 E420 T428 M432	H418-K430 PolarHBondContact N-O 3.07Å; H418-K430 PolarHBondContact O-N 3.44Å; E420-K430 IonicContact OE1-NZ 3.83Å; E420-K430 PolarHBondContact OE1-NZ 2.88Å; E420-K430 IonicContact OE2-NZ 2.68Å; E420-K430 PolarHBondContact OE2-NZ 2.86Å; T428-K430 PolarHBondContact O-N 2.92Å; K430-M432 PolarHBondContact O-N 3.43Å
431	E	50.9	Low	64	Low	142 Å²	142	83.3 Å²	83.3	66%	0.664	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	114.2	167.9	-68.1	175	-174.7	0	0	108.5	I415	I415-E431 HydrophobicContact CG2-CB 4.03Å; I415-E431 HydrophobicContact CG2-CG 4.19Å
432	M	50.1	Low	65.5	Low	95 Å²	95	77.1 Å²	77.1	47%	0.468	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.1	171	-75.3	-159.8	-83.2	0	0	109.5	K416 H418 K430 V434	K416-M432 PolarHBondContact N-O 3.4Å; K416-M432 PolarHBondContact O-N 3.3Å; H418-M432 HydrophobicContact CB-CE 3.41Å; H418-M432 VanDerWaalsContact CB-CE 3.41Å; H418-M432 VanDerWaalsContact CG-CE 3.46Å; K430-M432 PolarHBondContact O-N 3.43Å; M432-V434 PolarHBondContact O-N 3.09Å
433	E	55.3	Low	67	Low	121 Å²	121	76.3 Å²	76.3	57%	0.565	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	113.3	167.5	-68.8	-179.2	174	0	0	108.4	K280	K280-E433 IonicContact NZ-OE2 2.75Å; K280-E433 PolarHBondContact NZ-OE2 3.3Å
434	V	56.2	Low	68.7	Low	62 Å²	62	71.5 Å²	71.5	38%	0.376	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.4	172.8	-178.4	0	0	0	0	108.7	V414 K416 M432 R436	V414-V434 PolarHBondContact N-O 3.32Å; V414-V434 PolarHBondContact O-N 3.39Å; K416-V434 HydrophobicContact CB-CG2 4.32Å; K416-V434 HydrophobicContact CD-CG2 4.07Å; K416-V434 HydrophobicContact CG-CG2 4.19Å; M432-V434 PolarHBondContact O-N 3.09Å; V434-R436 PolarHBondContact O-N 3.35Å
435	E	60.4	Low	70	Confident	130 Å²	130	64.9 Å²	64.9	61%	0.607	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-66.3	125.4	175.2	-68.3	-175.9	160.8	0	0	110.4	T393	T393-E435 HydrophobicContact CG2-CB 4.5Å
436	R	68.4	Low	71.5	Confident	40 Å²	40	65.7 Å²	65.7	15%	0.151	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-84.2	143.3	178	-172.1	173.6	179	-177.2	-6	110.3	H394 E401 H402 V414 V434 Y438	H394-R436 PolarHBondContact CE1-O 3.5Å; H394-R436 VanDerWaalsContact CE1-O 3.27Å; H394-R436 PolarHBondContact ND1-O 2.94Å; E401-R436 PolarHBondContact O-NH2 3.02Å; E401-R436 IonicContact OE2-NE 2.85Å; H402-R436 PolarHBondContact O-NH2 3.36Å; V414-R436 HydrophobicContact CG2-CB 4.4Å; V434-R436 PolarHBondContact O-N 3.35Å; R436-Y438 HydrophobicContact CB-CE1 4.4Å; R436-Y438 HydrophobicContact CB-CE2 4.3Å; R436-Y438 HydrophobicContact CG-CE1 4.45Å; R436-Y438 VanDerWaalsContact O-CD2 3.3Å; R436-Y438 WeakPolarHBondContact O-CD2 3.25Å; R436-Y438 WeakPolarHBondContact O-CE2 3.35Å; R436-Y438 PolarHBondContact O-N 3.31Å
437	A	74.6	Confident	73	Confident	35 Å²	35	64.6 Å²	64.6	29%	0.289	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-74.7	122.5	172.9	0	0	0	0	0	110.6
438	Y	80.2	Confident	74.5	Confident	10 Å²	10	61.1 Å²	61.1	4%	0.039	32%	0.322	C	S	.	.			trans	-107.8	143.6	179	-64.1	-69.9	0	0	0	112	H394 Y400 L403 F411 H412 R436 T441 Y499	H394-Y438 AromaticContact CE1-CD2 3.8Å; H394-Y438 PolarHBondContact ND1-N 3.39Å; Y400-Y438 VanDerWaalsContact CE1-C 3.46Å; L403-Y438 HydrophobicContact CD1-CD1 4.26Å; L403-Y438 HydrophobicContact CD1-CE1 4.49Å; L403-Y438 HydrophobicContact CD2-CD1 4.49Å; L403-Y438 HydrophobicContact CD2-CE1 4.29Å; F411-Y438 HydrophobicContact CB-CE1 4.5Å; F411-Y438 AromaticContact CD1-CD1 3.81Å; F411-Y438 HydrophobicContact CD1-CD1 3.81Å; F411-Y438 AromaticContact CD1-CE1 3.69Å; F411-Y438 HydrophobicContact CD1-CE1 3.69Å; F411-Y438 HydrophobicContact CD1-CG 4.4Å; F411-Y438 HydrophobicContact CE1-CD1 4.24Å; F411-Y438 PolarHBondContact O-OH 3.38Å; H412-Y438 PolarHBondContact O-OH 3.48Å; R436-Y438 HydrophobicContact CB-CE1 4.4Å; R436-Y438 HydrophobicContact CB-CE2 4.3Å; R436-Y438 HydrophobicContact CG-CE1 4.45Å; R436-Y438 VanDerWaalsContact O-CD2 3.3Å; R436-Y438 WeakPolarHBondContact O-CD2 3.25Å; R436-Y438 WeakPolarHBondContact O-CE2 3.35Å; R436-Y438 PolarHBondContact O-N 3.31Å; Y438-T441 WeakPolarHBondContact CB-OG1 3.27Å; Y438-Y499 AromaticContact CD2-CD1 3.4Å; Y438-Y499 HydrophobicContact CD2-CD1 3.4Å; Y438-Y499 HydrophobicContact CD2-CE1 4.04Å; Y438-Y499 AromaticContact CD2-CG 3.74Å; Y438-Y499 HydrophobicContact CD2-CG 3.74Å; Y438-Y499 AromaticContact CE2-CD1 3.83Å; Y438-Y499 HydrophobicContact CE2-CD1 3.83Å; Y438-Y499 HydrophobicContact CE2-CD2 4.49Å; Y438-Y499 HydrophobicContact CE2-CE1 4.12Å; Y438-Y499 HydrophobicContact CE2-CG 4.02Å; Y438-Y499 HydrophobicContact CG-CD1 4.24Å; Y438-Y499 HydrophobicContact CG-CG 4.29Å
439	P	83.1	Confident	76.3	Confident	43 Å²	43	58.7 Å²	58.7	28%	0.279	31%	0.307	S	S	.	.	S	Bend	trans	-66.2	149.9	174.3	26.8	-33	0	0	0	112.2	Y400 T441	Y400-P439 HydrophobicContact CD1-CB 4.26Å; Y400-P439 HydrophobicContact CD2-CB 3.62Å; Y400-P439 HydrophobicContact CD2-CG 4.34Å; Y400-P439 HydrophobicContact CE1-CB 4.21Å; Y400-P439 HydrophobicContact CE2-CB 3.52Å; Y400-P439 HydrophobicContact CG-CB 3.99Å; Y400-P439 HydrophobicContact CG-CG 4.29Å; P439-T441 PolarHBondContact O-N 3.12Å
440	N	85.5	Confident	78.2	Confident	104 Å²	104	57.2 Å²	57.2	56%	0.556	29%	0.294	S	S	*	.	S	Bend	trans	59.7	-10.5	173	-62.8	-23.3	0	0	0	117	A442 L443 L444	N440-A442 PolarHBondContact O-N 2.99Å; N440-L443 PolarHBondContact O-N 3.21Å; N440-L444 WeakPolarHBondContact O-CB 3.48Å; N440-L444 PolarHBondContact O-N 3.33Å
441	T	87.6	Confident	80.2	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-44	178	-66.3	0	0	0	0	112.6	H394 Y438 P439 L443 L444 S445 Y499	H394-T441 HydrophobicContact CB-CG2 4.48Å; H394-T441 WeakPolarHBondContact CD2-CG2 3.46Å; Y438-T441 WeakPolarHBondContact CB-OG1 3.27Å; P439-T441 PolarHBondContact O-N 3.12Å; T441-L443 PolarHBondContact O-N 2.87Å; T441-L444 PolarHBondContact O-N 3.19Å; T441-S445 WeakPolarHBondContact O-CB 3.43Å; T441-S445 PolarHBondContact O-N 3.28Å; T441-S445 PolarHBondContact O-OG 3.4Å; T441-Y499 VanDerWaalsContact CB-O 3.31Å; T441-Y499 WeakPolarHBondContact CB-O 3.21Å; T441-Y499 HydrophobicContact CG2-CD1 4.17Å; T441-Y499 WeakPolarHBondContact CG2-O 3.27Å; T441-Y499 PolarHBondContact OG1-O 3.12Å
442	A	89	Confident	82.2	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-41.8	-177.7	0	0	0	0	0	112.9	F391 H394 L396 N440 S445 M446	F391-A442 HydrophobicContact CD1-CB 4.13Å; F391-A442 HydrophobicContact CD2-CB 4Å; F391-A442 HydrophobicContact CE1-CB 4.22Å; F391-A442 HydrophobicContact CE2-CB 4.09Å; F391-A442 VanDerWaalsContact CE2-O 3.31Å; F391-A442 WeakPolarHBondContact CE2-O 3.31Å; F391-A442 HydrophobicContact CG-CB 4.03Å; F391-A442 HydrophobicContact CZ-CB 4.21Å; H394-A442 HydrophobicContact CB-CB 4.37Å; H394-A442 WeakPolarHBondContact O-CB 3.32Å; L396-A442 HydrophobicContact CD2-CB 4.23Å; N440-A442 PolarHBondContact O-N 2.99Å; A442-S445 WeakPolarHBondContact O-CB 3.26Å; A442-S445 PolarHBondContact O-N 3.01Å; A442-M446 PolarHBondContact O-N 3.11Å
443	L	91.4	Very high	84.2	Confident	80 Å²	80	42.9 Å²	42.9	42%	0.419	23%	0.232	S	C	.	.	H	α-helix	trans	-69.9	-43.9	177.6	-69.2	173.4	0	0	0	111.4	F391 L396 N440 T441 S445 M446 C447	F391-L443 HydrophobicContact CZ-CD2 4.38Å; L396-L443 HydrophobicContact CD1-CD2 4.33Å; L396-L443 HydrophobicContact CD1-CG 4.47Å; L396-L443 HydrophobicContact CD2-CD1 4.27Å; L396-L443 HydrophobicContact CD2-CG 4.02Å; N440-L443 PolarHBondContact O-N 3.21Å; T441-L443 PolarHBondContact O-N 2.87Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.5Å; L443-M446 WeakPolarHBondContact O-CB 3.14Å; L443-M446 PolarHBondContact O-N 3.41Å; L443-C447 PolarHBondContact O-N 3.24Å; L443-C447 PolarHBondContact O-SG 3.04Å
444	L	92.3	Very high	86.2	Confident	19 Å²	19	43 Å²	43	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-42.6	175.3	179.2	57.7	0	0	0	111.2	N440 T441 M446 C447 L448 I495 A498 T500	N440-L444 WeakPolarHBondContact O-CB 3.48Å; N440-L444 PolarHBondContact O-N 3.33Å; T441-L444 PolarHBondContact O-N 3.19Å; L444-M446 VanDerWaalsContact C-N 3.31Å; L444-M446 PolarHBondContact O-N 3.23Å; L444-C447 PolarHBondContact O-N 2.91Å; L444-C447 VanDerWaalsContact O-N 3.17Å; L444-L448 HydrophobicContact CD1-CD1 4.25Å; L444-L448 HydrophobicContact CD1-CG 4.14Å; L444-L448 HydrophobicContact CG-CD1 4.06Å; L444-L448 HydrophobicContact CG-CG 4.4Å; L444-L448 WeakPolarHBondContact O-CG 3.33Å; L444-L448 PolarHBondContact O-N 2.89Å; L444-I495 HydrophobicContact CD1-CD1 3.62Å; L444-I495 HydrophobicContact CD2-CG2 3.99Å; L444-A498 HydrophobicContact CD2-CB 3.64Å; L444-T500 HydrophobicContact CD2-CG2 3.44Å; L444-T500 VanDerWaalsContact CD2-CG2 3.44Å; L444-T500 HydrophobicContact CG-CG2 3.94Å
445	S	91.3	Very high	88	Confident	2 Å²	2	42 Å²	42	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-42.6	175	-63.9	0	0	0	0	112.4	T441 A442 L443 M449 T653	T441-S445 WeakPolarHBondContact O-CB 3.43Å; T441-S445 PolarHBondContact O-N 3.28Å; T441-S445 PolarHBondContact O-OG 3.4Å; A442-S445 WeakPolarHBondContact O-CB 3.26Å; A442-S445 PolarHBondContact O-N 3.01Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.5Å; S445-M449 VanDerWaalsContact O-CB 3.32Å; S445-M449 WeakPolarHBondContact O-CB 3.36Å; S445-M449 PolarHBondContact O-N 3.46Å; S445-T653 VanDerWaalsContact CB-CG2 3.42Å; S445-T653 WeakPolarHBondContact OG-CG2 3.33Å
446	M	93.9	Very high	89.4	Confident	75 Å²	75	35.9 Å²	35.9	37%	0.369	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-45.4	174.7	179.6	174.4	165.9	0	0	111.7	L387 F391 A442 L443 L444 M449 F450	L387-M446 HydrophobicContact CD1-CB 4.19Å; L387-M446 HydrophobicContact CD2-CG 4.39Å; F391-M446 HydrophobicContact CE2-CB 4.1Å; F391-M446 HydrophobicContact CZ-CB 4.22Å; F391-M446 HydrophobicContact CZ-SD 4.05Å; A442-M446 PolarHBondContact O-N 3.11Å; L443-M446 WeakPolarHBondContact O-CB 3.14Å; L443-M446 PolarHBondContact O-N 3.41Å; L444-M446 VanDerWaalsContact C-N 3.31Å; L444-M446 PolarHBondContact O-N 3.23Å; M446-M449 PolarHBondContact O-N 3.45Å; M446-F450 HydrophobicContact CE-CD2 4.08Å; M446-F450 HydrophobicContact CE-CE2 3.73Å; M446-F450 HydrophobicContact CG-CD2 3.59Å; M446-F450 HydrophobicContact CG-CE2 3.67Å; M446-F450 WeakPolarHBondContact O-CD2 3.26Å; M446-F450 PolarHBondContact O-N 3.32Å; M446-F450 HydrophobicContact SD-CE2 4.37Å
447	C	94.6	Very high	90.4	Very high	87 Å²	87	37.4 Å²	37.4	59%	0.588	20%	0.201	S	C	*	.	H	α-helix	trans	-61.6	-45.4	177.7	-71.5	0	0	0	0	112.2	L443 L444 G451	L443-C447 PolarHBondContact O-N 3.24Å; L443-C447 PolarHBondContact O-SG 3.04Å; L444-C447 PolarHBondContact O-N 2.91Å; L444-C447 VanDerWaalsContact O-N 3.17Å; C447-G451 WeakPolarHBondContact O-CA 3.32Å; C447-G451 PolarHBondContact O-N 3.02Å
448	L	93.4	Very high	91.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-41.4	177.4	-69.9	172.5	0	0	0	111.7	L444 C452 M488 V491 D492 T500 P651	L444-L448 HydrophobicContact CD1-CD1 4.25Å; L444-L448 HydrophobicContact CD1-CG 4.14Å; L444-L448 HydrophobicContact CG-CD1 4.06Å; L444-L448 HydrophobicContact CG-CG 4.4Å; L444-L448 WeakPolarHBondContact O-CG 3.33Å; L444-L448 PolarHBondContact O-N 2.89Å; L448-C452 VanDerWaalsContact O-CB 3.27Å; L448-C452 WeakPolarHBondContact O-CB 3.37Å; L448-C452 PolarHBondContact O-N 3.34Å; L448-M488 HydrophobicContact CD2-CB 4.43Å; L448-M488 HydrophobicContact CD2-SD 3.96Å; L448-M488 VanDerWaalsContact O-SD 3.37Å; L448-V491 HydrophobicContact CD2-CB 4.4Å; L448-V491 HydrophobicContact CD2-CG1 4.13Å; L448-D492 HydrophobicContact CD1-CB 4.38Å; L448-D492 HydrophobicContact CD2-CB 4.39Å; L448-T500 HydrophobicContact CD1-CG2 4.03Å; L448-P651 HydrophobicContact CD1-CB 4.19Å; L448-P651 HydrophobicContact CD1-CG 4.27Å
449	M	93.7	Very high	91.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-54.9	177.8	-173.2	-165.1	79.5	0	0	111.8	T383 L387 S445 M446 C452 F453 T653 F656 G657	T383-M449 HydrophobicContact CG2-SD 3.8Å; L387-M449 HydrophobicContact CB-SD 4.17Å; L387-M449 HydrophobicContact CD1-SD 4.26Å; L387-M449 HydrophobicContact CD2-CE 3.69Å; L387-M449 HydrophobicContact CD2-SD 4.05Å; L387-M449 HydrophobicContact CG-SD 4.39Å; S445-M449 VanDerWaalsContact O-CB 3.32Å; S445-M449 WeakPolarHBondContact O-CB 3.36Å; S445-M449 PolarHBondContact O-N 3.46Å; M446-M449 PolarHBondContact O-N 3.45Å; M449-C452 PolarHBondContact O-N 3.25Å; M449-F453 PolarHBondContact O-N 3.23Å; M449-F453 VanDerWaalsContact O-N 3.11Å; M449-T653 WeakPolarHBondContact CA-O 3.47Å; M449-T653 WeakPolarHBondContact CB-O 3.48Å; M449-F656 HydrophobicContact CG-CB 3.93Å; M449-F656 HydrophobicContact SD-CB 4.22Å; M449-G657 WeakPolarHBondContact O-CA 3.33Å
450	F	96.1	Very high	91.6	Very high	48 Å²	48	44 Å²	44	21%	0.211	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-37.6	-179.1	-77.2	-63.5	0	0	0	112.2	F384 L387 M446 C452 F453 F454 L660	F384-F450 HydrophobicContact CE1-CE1 4.43Å; F384-F450 AromaticContact CE1-CZ 3.93Å; F384-F450 HydrophobicContact CE1-CZ 3.93Å; F384-F450 HydrophobicContact CZ-CE1 4.42Å; F384-F450 HydrophobicContact CZ-CZ 4.36Å; L387-F450 HydrophobicContact CD2-CE2 4.37Å; M446-F450 HydrophobicContact CE-CD2 4.08Å; M446-F450 HydrophobicContact CE-CE2 3.73Å; M446-F450 HydrophobicContact CG-CD2 3.59Å; M446-F450 HydrophobicContact CG-CE2 3.67Å; M446-F450 WeakPolarHBondContact O-CD2 3.26Å; M446-F450 PolarHBondContact O-N 3.32Å; M446-F450 HydrophobicContact SD-CE2 4.37Å; F450-C452 PolarHBondContact O-N 3.31Å; F450-F453 PolarHBondContact O-N 2.96Å; F450-F454 HydrophobicContact CB-CD2 4.14Å; F450-F454 HydrophobicContact CB-CE2 3.93Å; F450-F454 HydrophobicContact CD1-CE2 4.23Å; F450-F454 HydrophobicContact CG-CE2 4.42Å; F450-F454 WeakPolarHBondContact O-CB 3.34Å; F450-F454 WeakPolarHBondContact O-CD2 3.39Å; F450-F454 WeakPolarHBondContact O-CG 3.42Å; F450-F454 PolarHBondContact O-N 3.34Å; F450-L660 HydrophobicContact CE1-CD2 4.24Å
451	G	95.6	Very high	91.6	Very high	19 Å²	19	44 Å²	44	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-47.6	175.3	0	0	0	0	0	111.8	C447 F453 F454 I455	C447-G451 WeakPolarHBondContact O-CA 3.32Å; C447-G451 PolarHBondContact O-N 3.02Å; G451-F453 PolarHBondContact O-N 2.94Å; G451-F454 PolarHBondContact O-N 2.99Å; G451-I455 VanDerWaalsContact O-CG1 3.27Å; G451-I455 WeakPolarHBondContact O-CG1 3.31Å; G451-I455 PolarHBondContact O-N 2.98Å; G451-I455 VanDerWaalsContact O-N 3.09Å
452	C	93.3	Very high	91.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-46.5	176.2	-157.4	0	0	0	0	111.6	L448 M449 F450 A456 M488 A654 I658	L448-C452 VanDerWaalsContact O-CB 3.27Å; L448-C452 WeakPolarHBondContact O-CB 3.37Å; L448-C452 PolarHBondContact O-N 3.34Å; M449-C452 PolarHBondContact O-N 3.25Å; F450-C452 PolarHBondContact O-N 3.31Å; C452-A456 WeakPolarHBondContact O-CB 3.46Å; C452-A456 PolarHBondContact O-N 3.33Å; C452-M488 HydrophobicContact CB-CG 3.66Å; C452-M488 HydrophobicContact CB-SD 4.33Å; C452-M488 PolarHBondContact N-SD 3.24Å; C452-M488 VanDerWaalsContact N-SD 3.44Å; C452-A654 HydrophobicContact CB-CB 4.27Å; C452-I658 WeakPolarHBondContact SG-CD1 3.4Å
453	F	93.3	Very high	91	Very high	19 Å²	19	48.8 Å²	48.8	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-51.4	178	167.2	-104.3	0	0	0	112.4	M449 F450 G451 I455 A456 Y457 L660 I664	M449-F453 PolarHBondContact O-N 3.23Å; M449-F453 VanDerWaalsContact O-N 3.11Å; F450-F453 PolarHBondContact O-N 2.96Å; G451-F453 PolarHBondContact O-N 2.94Å; F453-I455 PolarHBondContact O-N 2.97Å; F453-A456 PolarHBondContact O-N 2.99Å; F453-Y457 HydrophobicContact CZ-CG 4.44Å; F453-Y457 VanDerWaalsContact O-CB 3.23Å; F453-Y457 WeakPolarHBondContact O-CB 3.38Å; F453-Y457 PolarHBondContact O-N 2.96Å; F453-L660 HydrophobicContact CB-CD2 4.34Å; F453-L660 HydrophobicContact CD1-CD2 4.19Å; F453-L660 HydrophobicContact CD2-CB 4Å; F453-L660 HydrophobicContact CD2-CD2 3.99Å; F453-L660 HydrophobicContact CD2-CG 3.79Å; F453-L660 HydrophobicContact CE2-CD2 4.4Å; F453-L660 HydrophobicContact CE2-CG 4.02Å; F453-L660 HydrophobicContact CG-CB 4.48Å; F453-L660 HydrophobicContact CG-CD2 3.89Å; F453-L660 HydrophobicContact CG-CG 4.21Å; F453-I664 HydrophobicContact CE2-CD1 3.62Å; F453-I664 HydrophobicContact CZ-CD1 3.57Å
454	F	95.8	Very high	90.3	Very high	123 Å²	123	51.5 Å²	51.5	54%	0.539	25%	0.25	S	C	.	.	H	α-helix	trans	-65.5	-41	-176.3	-74.8	-56.8	0	0	0	112.1	F450 G451 Y457 F458	F450-F454 HydrophobicContact CB-CD2 4.14Å; F450-F454 HydrophobicContact CB-CE2 3.93Å; F450-F454 HydrophobicContact CD1-CE2 4.23Å; F450-F454 HydrophobicContact CG-CE2 4.42Å; F450-F454 WeakPolarHBondContact O-CB 3.34Å; F450-F454 WeakPolarHBondContact O-CD2 3.39Å; F450-F454 WeakPolarHBondContact O-CG 3.42Å; F450-F454 PolarHBondContact O-N 3.34Å; G451-F454 PolarHBondContact O-N 2.99Å; F454-Y457 PolarHBondContact O-N 3.29Å; F454-F458 WeakPolarHBondContact O-CB 3.36Å; F454-F458 PolarHBondContact O-N 3.37Å
455	I	94.6	Very high	89.7	Confident	43 Å²	43	51.6 Å²	51.6	22%	0.221	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-48.9	176.7	-64.9	172.7	0	0	0	110.2	G451 F453 Y457 F458 L459 A484 F487 M488	G451-I455 VanDerWaalsContact O-CG1 3.27Å; G451-I455 WeakPolarHBondContact O-CG1 3.31Å; G451-I455 PolarHBondContact O-N 2.98Å; G451-I455 VanDerWaalsContact O-N 3.09Å; F453-I455 PolarHBondContact O-N 2.97Å; I455-Y457 VanDerWaalsContact C-N 3.33Å; I455-Y457 PolarHBondContact O-N 3.17Å; I455-F458 PolarHBondContact O-N 3.45Å; I455-L459 HydrophobicContact CG2-CD1 3.84Å; I455-L459 HydrophobicContact CG2-CG 4.34Å; I455-L459 WeakPolarHBondContact O-CB 3.35Å; I455-L459 VanDerWaalsContact O-CG 3.3Å; I455-L459 WeakPolarHBondContact O-CG 3.29Å; I455-L459 PolarHBondContact O-N 3.28Å; I455-A484 HydrophobicContact CB-CB 4.01Å; I455-A484 HydrophobicContact CG2-CB 3.78Å; I455-F487 HydrophobicContact CD1-CB 4.44Å; I455-F487 HydrophobicContact CD1-CD1 3.26Å; I455-F487 HydrophobicContact CD1-CE1 3.72Å; I455-F487 HydrophobicContact CD1-CG 4.06Å; I455-M488 HydrophobicContact CD1-CE 3.69Å
456	A	89.3	Confident	89.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-43.6	178.8	0	0	0	0	0	111.8	C452 F453 R460 V481 A484 I658 Y661	C452-A456 WeakPolarHBondContact O-CB 3.46Å; C452-A456 PolarHBondContact O-N 3.33Å; F453-A456 PolarHBondContact O-N 2.99Å; A456-R460 PolarHBondContact O-N 3.36Å; A456-V481 HydrophobicContact CB-CG2 4.31Å; A456-A484 HydrophobicContact CB-CB 3.91Å; A456-I658 HydrophobicContact CB-CD1 4.12Å; A456-Y661 HydrophobicContact CB-CD2 3.85Å; A456-Y661 HydrophobicContact CB-CE2 4.2Å; A456-Y661 HydrophobicContact CB-CG 4.04Å
457	Y	89.5	Confident	89	Confident	73 Å²	73	60.8 Å²	60.8	29%	0.286	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-42.5	178.3	-172.4	-105.4	0	0	0	112.4	F453 F454 I455 R460 Q461	F453-Y457 HydrophobicContact CZ-CG 4.44Å; F453-Y457 VanDerWaalsContact O-CB 3.23Å; F453-Y457 WeakPolarHBondContact O-CB 3.38Å; F453-Y457 PolarHBondContact O-N 2.96Å; F454-Y457 PolarHBondContact O-N 3.29Å; I455-Y457 VanDerWaalsContact C-N 3.33Å; I455-Y457 PolarHBondContact O-N 3.17Å; Y457-R460 WeakPolarHBondContact O-CB 3.35Å; Y457-R460 PolarHBondContact O-N 2.98Å; Y457-Q461 HydrophobicContact CE1-CG 4.27Å; Y457-Q461 VanDerWaalsContact CZ-NE2 3.35Å; Y457-Q461 PolarHBondContact O-N 3.46Å; Y457-Q461 PolarHBondContact OH-NE2 3.07Å
458	F	92.3	Very high	88.6	Confident	127 Å²	127	60.9 Å²	60.9	56%	0.557	30%	0.298	S	S	*	.	H	α-helix	trans	-62.9	-46.8	176.2	177.8	-99.7	0	0	0	111.8	F454 I455 R460 Q461 F462	F454-F458 WeakPolarHBondContact O-CB 3.36Å; F454-F458 PolarHBondContact O-N 3.37Å; I455-F458 PolarHBondContact O-N 3.45Å; F458-R460 PolarHBondContact O-N 3.33Å; F458-Q461 PolarHBondContact O-N 3.24Å; F458-Q461 VanDerWaalsContact O-N 3.09Å; F458-F462 WeakPolarHBondContact O-CB 3.48Å; F458-F462 PolarHBondContact O-N 2.6Å
459	L	89.5	Confident	88.3	Confident	20 Å²	20	64.3 Å²	64.3	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-33.6	177.6	-67	175.8	0	0	0	111.6	I455 F462 K463 I476 G477 I483	I455-L459 HydrophobicContact CG2-CD1 3.84Å; I455-L459 HydrophobicContact CG2-CG 4.34Å; I455-L459 WeakPolarHBondContact O-CB 3.35Å; I455-L459 VanDerWaalsContact O-CG 3.3Å; I455-L459 WeakPolarHBondContact O-CG 3.29Å; I455-L459 PolarHBondContact O-N 3.28Å; L459-F462 WeakPolarHBondContact O-CB 3.49Å; L459-F462 PolarHBondContact O-N 2.97Å; L459-K463 PolarHBondContact O-N 2.97Å; L459-I476 HydrophobicContact CD2-CG2 3.75Å; L459-G477 VanDerWaalsContact O-CA 3.27Å; L459-G477 WeakPolarHBondContact O-CA 3.38Å; L459-I483 HydrophobicContact CD1-CB 3.99Å; L459-I483 HydrophobicContact CD1-CG2 3.78Å
460	R	82.4	Confident	87.5	Confident	79 Å²	79	65.6 Å²	65.6	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-46.7	170.9	-171.3	-171.7	-169.2	-161.2	9.1	112.2	A456 Y457 F458 F462 K463 Y661 T665 N668	A456-R460 PolarHBondContact O-N 3.36Å; Y457-R460 WeakPolarHBondContact O-CB 3.35Å; Y457-R460 PolarHBondContact O-N 2.98Å; F458-R460 PolarHBondContact O-N 3.33Å; R460-F462 VanDerWaalsContact C-N 3.27Å; R460-F462 PolarHBondContact O-N 3.38Å; R460-K463 WeakPolarHBondContact O-CB 3.46Å; R460-K463 PolarHBondContact O-N 2.95Å; R460-Y661 HydrophobicContact CB-CE2 4.12Å; R460-Y661 WeakPolarHBondContact CD-OH 3.47Å; R460-T665 VanDerWaalsContact NH1-CA 3.34Å; R460-T665 PolarHBondContact NH1-O 3.08Å; R460-N668 PolarHBondContact NH1-ND2 2.94Å; R460-N668 VanDerWaalsContact NH1-ND2 3.19Å
461	Q	84.7	Confident	86.3	Confident	104 Å²	104	68 Å²	68	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-37.9	176.9	-70	-165.1	-3.8	0	0	111.6	Y457 F458 K463 N464 G465	Y457-Q461 HydrophobicContact CE1-CG 4.27Å; Y457-Q461 VanDerWaalsContact CZ-NE2 3.35Å; Y457-Q461 PolarHBondContact O-N 3.46Å; Y457-Q461 PolarHBondContact OH-NE2 3.07Å; F458-Q461 PolarHBondContact O-N 3.24Å; F458-Q461 VanDerWaalsContact O-N 3.09Å; Q461-K463 PolarHBondContact O-N 2.91Å; Q461-N464 PolarHBondContact O-N 2.92Å; Q461-G465 PolarHBondContact O-N 3.22Å; Q461-G465 VanDerWaalsContact O-N 3.12Å
462	F	86.1	Confident	85.6	Confident	35 Å²	35	71 Å²	71	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-57.5	-33.7	177.5	-172.2	-99.7	0	0	0	112.5	F458 L459 R460 N464 G465 F467 L468 R473 I476	F458-F462 WeakPolarHBondContact O-CB 3.48Å; F458-F462 PolarHBondContact O-N 2.6Å; L459-F462 WeakPolarHBondContact O-CB 3.49Å; L459-F462 PolarHBondContact O-N 2.97Å; R460-F462 VanDerWaalsContact C-N 3.27Å; R460-F462 PolarHBondContact O-N 3.38Å; F462-N464 PolarHBondContact O-N 3.19Å; F462-G465 PolarHBondContact O-N 3.14Å; F462-F467 HydrophobicContact CE2-CB 3.83Å; F462-F467 HydrophobicContact CZ-CB 4.26Å; F462-L468 HydrophobicContact CE1-CD1 3.7Å; F462-L468 HydrophobicContact CE1-CG 4.38Å; F462-L468 HydrophobicContact CZ-CB 4.28Å; F462-L468 HydrophobicContact CZ-CD1 3.48Å; F462-L468 VanDerWaalsContact CZ-CD1 3.48Å; F462-L468 HydrophobicContact CZ-CG 3.8Å; F462-R473 HydrophobicContact CD1-CG 4.11Å; F462-R473 HydrophobicContact CE1-CG 4.02Å; F462-R473 VanDerWaalsContact O-CD 3.25Å; F462-R473 WeakPolarHBondContact O-CD 3.25Å; F462-R473 WeakPolarHBondContact O-CG 3.46Å; F462-I476 HydrophobicContact CD1-CB 4.48Å; F462-I476 HydrophobicContact CD1-CG2 4.02Å; F462-I476 HydrophobicContact CE1-CB 4.43Å; F462-I476 HydrophobicContact CE1-CD1 4.37Å; F462-I476 HydrophobicContact CE1-CG2 4.18Å
463	K	78.8	Confident	85	Confident	69 Å²	69	73.7 Å²	73.7	30%	0.3	38%	0.376	S	S	.	.	H	α-helix	trans	-50.7	-40.1	172.1	-171.5	174.2	173.3	168.4	0	113.2	L459 R460 Q461 R473 D478	L459-K463 PolarHBondContact O-N 2.97Å; R460-K463 WeakPolarHBondContact O-CB 3.46Å; R460-K463 PolarHBondContact O-N 2.95Å; Q461-K463 PolarHBondContact O-N 2.91Å; K463-R473 PolarHBondContact O-NE 3.13Å; K463-D478 WeakPolarHBondContact CE-OD1 3.35Å; K463-D478 IonicContact NZ-OD1 2.84Å; K463-D478 PolarHBondContact NZ-OD1 3.12Å; K463-D478 IonicContact NZ-OD2 3.85Å
464	N	76	Confident	84.1	Confident	136 Å²	136	80.1 Å²	80.1	73%	0.727	40%	0.4	S	S	*	.	H	α-helix	trans	-97.1	-5	-177.8	-65.3	-18.4	0	0	0	113	Q461 F462	Q461-N464 PolarHBondContact O-N 2.92Å; F462-N464 PolarHBondContact O-N 3.19Å
465	G	80.5	Confident	83.1	Confident	22 Å²	22	79 Å²	79	23%	0.227	40%	0.399	C	S	.	.	S	Bend	trans	-68.8	173.3	178	0	0	0	0	0	112.9	Q461 F462 R473	Q461-G465 PolarHBondContact O-N 3.22Å; Q461-G465 VanDerWaalsContact O-N 3.12Å; F462-G465 PolarHBondContact O-N 3.14Å; G465-R473 WeakPolarHBondContact O-CD 3.42Å; G465-R473 PolarHBondContact O-NE 3.28Å; G465-R473 VanDerWaalsContact O-NE 3.13Å; G465-R473 PolarHBondContact O-NH1 3.27Å
466	T	83.8	Confident	82.5	Confident	124 Å²	124	79.3 Å²	79.3	76%	0.761	40%	0.401	S	S	*	.	S	Bend	trans	-90.5	-15	179.1	51.9	0	0	0	0	113.6
467	F	85.1	Confident	81.9	Confident	146 Å²	146	79.7 Å²	79.7	64%	0.64	40%	0.404	S	S	*	.	S	Bend	trans	-75.3	145.6	-177.1	-52	-73.2	0	0	0	112.2	F462 R473	F462-F467 HydrophobicContact CE2-CB 3.83Å; F462-F467 HydrophobicContact CZ-CB 4.26Å; F467-R473 WeakPolarHBondContact O-CD 3.27Å
468	L	87.4	Confident	81.1	Confident	88 Å²	88	78.8 Å²	78.8	46%	0.461	40%	0.404	S	S	.	.	S	Bend	trans	66.9	153.9	-176.6	-64	-177.7	0	0	0	116.3	F462 I472 R473 I476	F462-L468 HydrophobicContact CE1-CD1 3.7Å; F462-L468 HydrophobicContact CE1-CG 4.38Å; F462-L468 HydrophobicContact CZ-CB 4.28Å; F462-L468 HydrophobicContact CZ-CD1 3.48Å; F462-L468 VanDerWaalsContact CZ-CD1 3.48Å; F462-L468 HydrophobicContact CZ-CG 3.8Å; L468-I472 HydrophobicContact CD1-CG2 4.04Å; L468-R473 HydrophobicContact CB-CB 4.3Å; L468-I476 HydrophobicContact CD1-CD1 3.72Å
469	P	85.8	Confident	80.6	Confident	74 Å²	74	74.8 Å²	74.8	48%	0.481	39%	0.387	S	S	.	.			trans	-62.6	143.8	173.8	24.9	-33.6	0	0	0	111.4	P471 I472 R473	P469-P471 VanDerWaalsContact C-CD 3.49Å; P469-I472 HydrophobicContact CG-CB 4.25Å; P469-I472 HydrophobicContact CG-CD1 3.76Å; P469-I472 HydrophobicContact CG-CG1 4.09Å; P469-I472 PolarHBondContact O-N 3.12Å; P469-I472 VanDerWaalsContact O-N 3.13Å; P469-R473 PolarHBondContact O-N 3.34Å
470	G	76.8	Confident	80.2	Confident	29 Å²	29	73.9 Å²	73.9	30%	0.299	38%	0.383	S	S	.	.	H	α-helix	trans	-43.9	-49	-173.1	0	0	0	0	0	116.9	R474	G470-R474 VanDerWaalsContact O-CG 3.3Å; G470-R474 WeakPolarHBondContact O-CG 3.32Å; G470-R474 PolarHBondContact O-N 3.38Å
471	P	72.6	Confident	80.2	Confident	99 Å²	99	71.2 Å²	71.2	64%	0.643	38%	0.375	S	S	*	.	H	α-helix	trans	-66.5	-43	-179.1	23.6	-32.7	0	0	0	113	P469 R474 L475	P469-P471 VanDerWaalsContact C-CD 3.49Å; P471-R474 PolarHBondContact O-N 3.49Å; P471-L475 WeakPolarHBondContact O-CB 3.49Å; P471-L475 PolarHBondContact O-N 3.26Å
472	I	80	Confident	80.2	Confident	82 Å²	82	67.8 Å²	67.8	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-66.3	-42.2	179.5	-59.6	-177	0	0	0	110.2	L468 P469 R474 L475 I476	L468-I472 HydrophobicContact CD1-CG2 4.04Å; P469-I472 HydrophobicContact CG-CB 4.25Å; P469-I472 HydrophobicContact CG-CD1 3.76Å; P469-I472 HydrophobicContact CG-CG1 4.09Å; P469-I472 PolarHBondContact O-N 3.12Å; P469-I472 VanDerWaalsContact O-N 3.13Å; I472-R474 PolarHBondContact O-N 3.45Å; I472-L475 WeakPolarHBondContact O-CB 3.49Å; I472-L475 PolarHBondContact O-N 2.94Å; I472-I476 HydrophobicContact CG2-CD1 3.77Å; I472-I476 HydrophobicContact CG2-CG1 4.37Å; I472-I476 WeakPolarHBondContact O-CG1 3.42Å; I472-I476 PolarHBondContact O-N 3.3Å
473	R	81.5	Confident	80.3	Confident	55 Å²	55	69.5 Å²	69.5	21%	0.208	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-43.1	177.8	-170.7	-179.9	77.5	-154.3	10.4	112.6	F462 K463 G465 F467 L468 P469 G477	F462-R473 HydrophobicContact CD1-CG 4.11Å; F462-R473 HydrophobicContact CE1-CG 4.02Å; F462-R473 VanDerWaalsContact O-CD 3.25Å; F462-R473 WeakPolarHBondContact O-CD 3.25Å; F462-R473 WeakPolarHBondContact O-CG 3.46Å; K463-R473 PolarHBondContact O-NE 3.13Å; G465-R473 WeakPolarHBondContact O-CD 3.42Å; G465-R473 PolarHBondContact O-NE 3.28Å; G465-R473 VanDerWaalsContact O-NE 3.13Å; G465-R473 PolarHBondContact O-NH1 3.27Å; F467-R473 WeakPolarHBondContact O-CD 3.27Å; L468-R473 HydrophobicContact CB-CB 4.3Å; P469-R473 PolarHBondContact O-N 3.34Å; R473-G477 PolarHBondContact O-N 3.03Å
474	R	73.6	Confident	80.9	Confident	155 Å²	155	66.2 Å²	66.2	59%	0.585	36%	0.358	S	S	*	.	H	α-helix	trans	-63.7	-46.1	175.3	-72.2	174.6	-170.7	174.7	3.5	111	G470 P471 I472 G477 D478	G470-R474 VanDerWaalsContact O-CG 3.3Å; G470-R474 WeakPolarHBondContact O-CG 3.32Å; G470-R474 PolarHBondContact O-N 3.38Å; P471-R474 PolarHBondContact O-N 3.49Å; I472-R474 PolarHBondContact O-N 3.45Å; R474-G477 PolarHBondContact O-N 3.06Å; R474-D478 VanDerWaalsContact O-CB 3.24Å; R474-D478 WeakPolarHBondContact O-CB 3.37Å; R474-D478 PolarHBondContact O-N 3.05Å; R474-D478 VanDerWaalsContact O-OD2 3.12Å
475	L	74	Confident	81.4	Confident	100 Å²	100	60.7 Å²	60.7	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-53.6	-59	175.8	-164.3	79.1	0	0	0	110.8	P471 I472 G477 D478 F479	P471-L475 WeakPolarHBondContact O-CB 3.49Å; P471-L475 PolarHBondContact O-N 3.26Å; I472-L475 WeakPolarHBondContact O-CB 3.49Å; I472-L475 PolarHBondContact O-N 2.94Å; L475-G477 VanDerWaalsContact C-N 3.3Å; L475-G477 PolarHBondContact O-N 3.26Å; L475-D478 PolarHBondContact O-N 3.02Å; L475-D478 VanDerWaalsContact O-N 3.09Å; L475-F479 HydrophobicContact CD1-CD2 4.02Å; L475-F479 HydrophobicContact CD1-CE2 3.49Å; L475-F479 VanDerWaalsContact CD1-CE2 3.49Å; L475-F479 HydrophobicContact CG-CD2 3.86Å; L475-F479 HydrophobicContact CG-CE2 3.85Å; L475-F479 WeakPolarHBondContact O-CD2 3.45Å; L475-F479 PolarHBondContact O-N 3.32Å
476	I	83	Confident	81.8	Confident	49 Å²	49	67 Å²	67	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-41.7	-178	-68.5	171.5	0	0	0	111.8	L459 F462 L468 I472 G480	L459-I476 HydrophobicContact CD2-CG2 3.75Å; F462-I476 HydrophobicContact CD1-CB 4.48Å; F462-I476 HydrophobicContact CD1-CG2 4.02Å; F462-I476 HydrophobicContact CE1-CB 4.43Å; F462-I476 HydrophobicContact CE1-CD1 4.37Å; F462-I476 HydrophobicContact CE1-CG2 4.18Å; L468-I476 HydrophobicContact CD1-CD1 3.72Å; I472-I476 HydrophobicContact CG2-CD1 3.77Å; I472-I476 HydrophobicContact CG2-CG1 4.37Å; I472-I476 WeakPolarHBondContact O-CG1 3.42Å; I472-I476 PolarHBondContact O-N 3.3Å; I476-G480 PolarHBondContact O-N 3.16Å
477	G	76.4	Confident	82.3	Confident	8 Å²	8	66.3 Å²	66.3	8%	0.082	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-34.5	178.1	0	0	0	0	0	113.8	L459 R473 R474 L475 G480	L459-G477 VanDerWaalsContact O-CA 3.27Å; L459-G477 WeakPolarHBondContact O-CA 3.38Å; R473-G477 PolarHBondContact O-N 3.03Å; R474-G477 PolarHBondContact O-N 3.06Å; L475-G477 VanDerWaalsContact C-N 3.3Å; L475-G477 PolarHBondContact O-N 3.26Å; G477-G480 PolarHBondContact O-N 2.74Å
478	D	73.7	Confident	82.6	Confident	53 Å²	53	59.9 Å²	59.9	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-75.4	-32.3	178	-74.1	-26.5	0	0	0	112.1	F258 K463 R474 L475 G480	F258-D478 HydrophobicContact CD2-CB 3.79Å; F258-D478 HydrophobicContact CE2-CB 3.5Å; F258-D478 HydrophobicContact CZ-CB 4.3Å; K463-D478 WeakPolarHBondContact CE-OD1 3.35Å; K463-D478 IonicContact NZ-OD1 2.84Å; K463-D478 PolarHBondContact NZ-OD1 3.12Å; K463-D478 IonicContact NZ-OD2 3.85Å; R474-D478 VanDerWaalsContact O-CB 3.24Å; R474-D478 WeakPolarHBondContact O-CB 3.37Å; R474-D478 PolarHBondContact O-N 3.05Å; R474-D478 VanDerWaalsContact O-OD2 3.12Å; L475-D478 PolarHBondContact O-N 3.02Å; L475-D478 VanDerWaalsContact O-N 3.09Å; D478-G480 VanDerWaalsContact C-N 3.27Å; D478-G480 PolarHBondContact O-N 3.45Å
479	F	80	Confident	82.8	Confident	43 Å²	43	56.6 Å²	56.6	19%	0.189	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	10	171.4	-72.8	-80.8	0	0	0	114	I257 F261 L475 V481 P482 I483	I257-F479 HydrophobicContact CG2-CE1 4.23Å; I257-F479 HydrophobicContact CG2-CZ 3.82Å; F261-F479 HydrophobicContact CD2-CD1 4.07Å; F261-F479 AromaticContact CD2-CE1 3.45Å; F261-F479 HydrophobicContact CD2-CE1 3.45Å; F261-F479 VanDerWaalsContact CD2-CE1 3.45Å; F261-F479 HydrophobicContact CD2-CZ 4.48Å; F261-F479 HydrophobicContact CE2-CD1 4.4Å; F261-F479 AromaticContact CE2-CE1 3.67Å; F261-F479 HydrophobicContact CE2-CE1 3.67Å; F261-F479 HydrophobicContact CG-CE1 4.29Å; L475-F479 HydrophobicContact CD1-CD2 4.02Å; L475-F479 HydrophobicContact CD1-CE2 3.49Å; L475-F479 VanDerWaalsContact CD1-CE2 3.49Å; L475-F479 HydrophobicContact CG-CD2 3.86Å; L475-F479 HydrophobicContact CG-CE2 3.85Å; L475-F479 WeakPolarHBondContact O-CD2 3.45Å; L475-F479 PolarHBondContact O-N 3.32Å; F479-V481 PolarHBondContact O-N 3.25Å; F479-P482 VanDerWaalsContact O-CD 3.31Å; F479-P482 WeakPolarHBondContact O-CD 3.47Å; F479-I483 HydrophobicContact CB-CD1 3.71Å; F479-I483 HydrophobicContact CB-CG1 4.18Å; F479-I483 WeakPolarHBondContact O-CB 3.48Å; F479-I483 WeakPolarHBondContact O-CD1 3.29Å; F479-I483 WeakPolarHBondContact O-CG1 3.43Å; F479-I483 PolarHBondContact O-N 2.99Å
480	G	82.7	Confident	83.1	Confident	2 Å²	2	55 Å²	55	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-42.6	-171.9	0	0	0	0	0	114.8	I476 G477 D478 A484	I476-G480 PolarHBondContact O-N 3.16Å; G477-G480 PolarHBondContact O-N 2.74Å; D478-G480 VanDerWaalsContact C-N 3.27Å; D478-G480 PolarHBondContact O-N 3.45Å; G480-A484 WeakPolarHBondContact O-CB 3.37Å; G480-A484 PolarHBondContact O-N 2.7Å
481	V	82.3	Confident	83.8	Confident	23 Å²	23	55.8 Å²	55.8	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-52.2	-179.7	167.8	0	0	0	0	112.2	S265 A456 F479 I483 A484 I485 I658 Y661	S265-V481 WeakPolarHBondContact OG-CG1 3.41Å; A456-V481 HydrophobicContact CB-CG2 4.31Å; F479-V481 PolarHBondContact O-N 3.25Å; V481-I483 VanDerWaalsContact C-N 3.31Å; V481-I483 PolarHBondContact O-N 2.75Å; V481-A484 PolarHBondContact O-N 2.68Å; V481-I485 HydrophobicContact CG1-CD1 4.11Å; V481-I485 WeakPolarHBondContact O-CG1 3.19Å; V481-I485 PolarHBondContact O-N 2.59Å; V481-I658 HydrophobicContact CB-CD1 4.48Å; V481-I658 HydrophobicContact CG1-CD1 3.82Å; V481-I658 HydrophobicContact CG1-CG1 4.22Å; V481-I658 HydrophobicContact CG1-CG2 3.88Å; V481-I658 HydrophobicContact CG2-CD1 4.45Å; V481-Y661 HydrophobicContact CG2-CD1 3.82Å; V481-Y661 HydrophobicContact CG2-CE1 3.44Å; V481-Y661 VanDerWaalsContact CG2-CE1 3.44Å
482	P	83.6	Confident	84.7	Confident	31 Å²	31	51.3 Å²	51.3	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-55.9	-41.6	173.6	-27.2	32.5	0	0	0	114	F261 F479 I485 F486	F261-P482 HydrophobicContact CB-CG 3.73Å; F261-P482 HydrophobicContact CD1-CB 4.1Å; F261-P482 HydrophobicContact CD1-CG 3.87Å; F261-P482 HydrophobicContact CG-CG 4Å; F479-P482 VanDerWaalsContact O-CD 3.31Å; F479-P482 WeakPolarHBondContact O-CD 3.47Å; P482-I485 PolarHBondContact O-N 3.16Å; P482-F486 WeakPolarHBondContact O-CB 3.01Å; P482-F486 PolarHBondContact O-N 3.26Å
483	I	89.2	Confident	85.1	Confident	72 Å²	72	50.8 Å²	50.8	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-43.2	177.8	-68.2	167.1	0	0	0	110.6	L459 F479 V481 I485 F486 F487	L459-I483 HydrophobicContact CD1-CB 3.99Å; L459-I483 HydrophobicContact CD1-CG2 3.78Å; F479-I483 HydrophobicContact CB-CD1 3.71Å; F479-I483 HydrophobicContact CB-CG1 4.18Å; F479-I483 WeakPolarHBondContact O-CB 3.48Å; F479-I483 WeakPolarHBondContact O-CD1 3.29Å; F479-I483 WeakPolarHBondContact O-CG1 3.43Å; F479-I483 PolarHBondContact O-N 2.99Å; V481-I483 VanDerWaalsContact C-N 3.31Å; V481-I483 PolarHBondContact O-N 2.75Å; I483-I485 PolarHBondContact O-N 2.69Å; I483-F486 PolarHBondContact O-N 3.46Å; I483-F487 WeakPolarHBondContact O-CB 3.48Å; I483-F487 PolarHBondContact O-N 3.32Å
484	A	90.4	Very high	85.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-40.9	177.3	0	0	0	0	0	112.5	I455 A456 G480 V481 M488	I455-A484 HydrophobicContact CB-CB 4.01Å; I455-A484 HydrophobicContact CG2-CB 3.78Å; A456-A484 HydrophobicContact CB-CB 3.91Å; G480-A484 WeakPolarHBondContact O-CB 3.37Å; G480-A484 PolarHBondContact O-N 2.7Å; V481-A484 PolarHBondContact O-N 2.68Å; A484-M488 WeakPolarHBondContact O-CB 3.19Å; A484-M488 VanDerWaalsContact O-CG 3.24Å; A484-M488 WeakPolarHBondContact O-CG 3.34Å; A484-M488 PolarHBondContact O-N 3.36Å; A484-M488 VanDerWaalsContact O-N 3.08Å
485	I	87.6	Confident	86.3	Confident	19 Å²	19	48.6 Å²	48.6	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-50.3	175.1	-67.6	169.9	0	0	0	110	V481 P482 I483 F487 M488 I489 I650 I658	V481-I485 HydrophobicContact CG1-CD1 4.11Å; V481-I485 WeakPolarHBondContact O-CG1 3.19Å; V481-I485 PolarHBondContact O-N 2.59Å; P482-I485 PolarHBondContact O-N 3.16Å; I483-I485 PolarHBondContact O-N 2.69Å; I485-F487 VanDerWaalsContact C-N 3.32Å; I485-F487 PolarHBondContact O-N 3.17Å; I485-M488 PolarHBondContact O-N 2.86Å; I485-I489 HydrophobicContact CG2-CD1 3.79Å; I485-I489 HydrophobicContact CG2-CG1 4.35Å; I485-I489 VanDerWaalsContact O-CG1 3.28Å; I485-I489 WeakPolarHBondContact O-CG1 3.42Å; I485-I489 PolarHBondContact O-N 2.93Å; I485-I650 HydrophobicContact CG2-CG2 4.36Å; I485-I658 HydrophobicContact CD1-CG1 4.13Å; I485-I658 HydrophobicContact CG1-CD1 4.23Å; I485-I658 HydrophobicContact CG1-CG1 3.9Å
486	F	89.4	Confident	86.4	Confident	154 Å²	154	51.6 Å²	51.6	68%	0.675	27%	0.273	S	S	*	.	H	α-helix	trans	-57.8	-44.1	180	179.5	-97.4	0	0	0	112.3	P482 I483 M488 I489 A490	P482-F486 WeakPolarHBondContact O-CB 3.01Å; P482-F486 PolarHBondContact O-N 3.26Å; I483-F486 PolarHBondContact O-N 3.46Å; F486-M488 PolarHBondContact O-N 3.03Å; F486-I489 PolarHBondContact O-N 3.44Å; F486-A490 PolarHBondContact O-N 3.18Å
487	F	92.6	Very high	86.2	Confident	110 Å²	110	56.7 Å²	56.7	48%	0.482	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-40.3	178	-173	-95.9	0	0	0	112.2	I455 I483 I485 A490 V491	I455-F487 HydrophobicContact CD1-CB 4.44Å; I455-F487 HydrophobicContact CD1-CD1 3.26Å; I455-F487 HydrophobicContact CD1-CE1 3.72Å; I455-F487 HydrophobicContact CD1-CG 4.06Å; I483-F487 WeakPolarHBondContact O-CB 3.48Å; I483-F487 PolarHBondContact O-N 3.32Å; I485-F487 VanDerWaalsContact C-N 3.32Å; I485-F487 PolarHBondContact O-N 3.17Å; F487-A490 WeakPolarHBondContact O-CB 3.26Å; F487-A490 PolarHBondContact O-N 2.85Å; F487-V491 HydrophobicContact CD1-CG2 4.24Å; F487-V491 HydrophobicContact CE1-CG2 3.91Å; F487-V491 HydrophobicContact CZ-CG2 4.38Å; F487-V491 WeakPolarHBondContact O-CG2 3.18Å; F487-V491 PolarHBondContact O-N 2.84Å
488	M	92.2	Very high	86.5	Confident	11 Å²	11	56.9 Å²	56.9	5%	0.054	30%	0.302	C	S	.	.	H	α-helix	trans	-69.6	-32.8	177.4	-70.7	-74.3	119.7	0	0	112.9	L448 C452 I455 A484 I485 F486 A490 V491 D492 A654	L448-M488 HydrophobicContact CD2-CB 4.43Å; L448-M488 HydrophobicContact CD2-SD 3.96Å; L448-M488 VanDerWaalsContact O-SD 3.37Å; C452-M488 HydrophobicContact CB-CG 3.66Å; C452-M488 HydrophobicContact CB-SD 4.33Å; C452-M488 PolarHBondContact N-SD 3.24Å; C452-M488 VanDerWaalsContact N-SD 3.44Å; I455-M488 HydrophobicContact CD1-CE 3.69Å; A484-M488 WeakPolarHBondContact O-CB 3.19Å; A484-M488 VanDerWaalsContact O-CG 3.24Å; A484-M488 WeakPolarHBondContact O-CG 3.34Å; A484-M488 PolarHBondContact O-N 3.36Å; A484-M488 VanDerWaalsContact O-N 3.08Å; I485-M488 PolarHBondContact O-N 2.86Å; F486-M488 PolarHBondContact O-N 3.03Å; M488-A490 VanDerWaalsContact C-N 3.34Å; M488-V491 HydrophobicContact CE-CG2 4.49Å; M488-V491 PolarHBondContact O-N 3.17Å; M488-D492 WeakPolarHBondContact O-CB 3.36Å; M488-D492 PolarHBondContact O-N 3.01Å; M488-A654 HydrophobicContact CB-CB 3.98Å
489	I	90.7	Very high	86.9	Confident	19 Å²	19	57.5 Å²	57.5	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-44.3	169.9	-66.1	164.5	0	0	0	110.2	I485 F486 V491 D492 I493 M649 I650	I485-I489 HydrophobicContact CG2-CD1 3.79Å; I485-I489 HydrophobicContact CG2-CG1 4.35Å; I485-I489 VanDerWaalsContact O-CG1 3.28Å; I485-I489 WeakPolarHBondContact O-CG1 3.42Å; I485-I489 PolarHBondContact O-N 2.93Å; F486-I489 PolarHBondContact O-N 3.44Å; I489-V491 VanDerWaalsContact C-N 3.31Å; I489-V491 PolarHBondContact O-N 3.25Å; I489-D492 PolarHBondContact O-N 3.01Å; I489-I493 HydrophobicContact CG2-CD1 3.58Å; I489-I493 HydrophobicContact CG2-CG1 4.27Å; I489-I493 WeakPolarHBondContact O-CD1 3.35Å; I489-I493 VanDerWaalsContact O-CG1 3.25Å; I489-I493 WeakPolarHBondContact O-CG1 3.44Å; I489-I493 PolarHBondContact O-N 3.34Å; I489-M649 HydrophobicContact CG2-CB 4.08Å; I489-I650 HydrophobicContact CD1-CG1 3.74Å; I489-I650 HydrophobicContact CG1-CG1 4.37Å
490	A	92.1	Very high	87.1	Confident	40 Å²	40	55.9 Å²	55.9	33%	0.331	29%	0.294	S	S	.	.	H	α-helix	trans	-62.4	-38.8	178.2	0	0	0	0	0	112.3	F486 F487 M488 S494	F486-A490 PolarHBondContact O-N 3.18Å; F487-A490 WeakPolarHBondContact O-CB 3.26Å; F487-A490 PolarHBondContact O-N 2.85Å; M488-A490 VanDerWaalsContact C-N 3.34Å; A490-S494 WeakPolarHBondContact O-CB 3.27Å; A490-S494 PolarHBondContact O-N 3.49Å; A490-S494 VanDerWaalsContact O-N 3.12Å; A490-S494 PolarHBondContact O-OG 2.96Å
491	V	92.8	Very high	87	Confident	46 Å²	46	58.4 Å²	58.4	28%	0.279	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-44.1	174	173.6	0	0	0	0	111.4	L448 F487 M488 I489 S494 I495	L448-V491 HydrophobicContact CD2-CB 4.4Å; L448-V491 HydrophobicContact CD2-CG1 4.13Å; F487-V491 HydrophobicContact CD1-CG2 4.24Å; F487-V491 HydrophobicContact CE1-CG2 3.91Å; F487-V491 HydrophobicContact CZ-CG2 4.38Å; F487-V491 WeakPolarHBondContact O-CG2 3.18Å; F487-V491 PolarHBondContact O-N 2.84Å; M488-V491 HydrophobicContact CE-CG2 4.49Å; M488-V491 PolarHBondContact O-N 3.17Å; I489-V491 VanDerWaalsContact C-N 3.31Å; I489-V491 PolarHBondContact O-N 3.25Å; V491-S494 PolarHBondContact O-N 3.35Å; V491-I495 HydrophobicContact CG1-CD1 4.07Å; V491-I495 WeakPolarHBondContact O-CG1 3.32Å; V491-I495 PolarHBondContact O-N 3.32Å
492	D	91.3	Very high	87.1	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.032	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-43.5	177.6	-174.2	69.3	0	0	0	112.1	L448 M488 I489 S494 I495 T500 K502 P651	L448-D492 HydrophobicContact CD1-CB 4.38Å; L448-D492 HydrophobicContact CD2-CB 4.39Å; M488-D492 WeakPolarHBondContact O-CB 3.36Å; M488-D492 PolarHBondContact O-N 3.01Å; I489-D492 PolarHBondContact O-N 3.01Å; D492-S494 VanDerWaalsContact C-N 3.26Å; D492-S494 PolarHBondContact O-N 2.95Å; D492-I495 PolarHBondContact O-N 3.26Å; D492-T500 WeakPolarHBondContact OD1-CB 3.45Å; D492-T500 WeakPolarHBondContact OD1-CG2 2.98Å; D492-T500 PolarHBondContact OD1-OG1 3.3Å; D492-T500 PolarHBondContact OD2-OG1 2.92Å; D492-K502 VanDerWaalsContact OD2-CE 3.29Å; D492-K502 WeakPolarHBondContact OD2-CE 3.44Å; D492-K502 IonicContact OD2-NZ 2.7Å; D492-P651 HydrophobicContact CB-CG 4.15Å
493	I	88.6	Confident	86.9	Confident	71 Å²	71	60.4 Å²	60.4	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-32.1	176.3	-64.8	161.9	0	0	0	111.6	I489 I495 M649	I489-I493 HydrophobicContact CG2-CD1 3.58Å; I489-I493 HydrophobicContact CG2-CG1 4.27Å; I489-I493 WeakPolarHBondContact O-CD1 3.35Å; I489-I493 VanDerWaalsContact O-CG1 3.25Å; I489-I493 WeakPolarHBondContact O-CG1 3.44Å; I489-I493 PolarHBondContact O-N 3.34Å; I493-I495 PolarHBondContact O-N 3.34Å; I493-M649 HydrophobicContact CD1-CE 3.29Å; I493-M649 HydrophobicContact CD1-SD 4.36Å; I493-M649 HydrophobicContact CG1-CE 3.73Å
494	S	90.8	Very high	86	Confident	99 Å²	99	60.5 Å²	60.5	69%	0.692	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.5	179.3	-56.7	0	0	0	0	113.1	A490 V491 D492	A490-S494 WeakPolarHBondContact O-CB 3.27Å; A490-S494 PolarHBondContact O-N 3.49Å; A490-S494 VanDerWaalsContact O-N 3.12Å; A490-S494 PolarHBondContact O-OG 2.96Å; V491-S494 PolarHBondContact O-N 3.35Å; D492-S494 VanDerWaalsContact C-N 3.26Å; D492-S494 PolarHBondContact O-N 2.95Å
495	I	88.1	Confident	85.4	Confident	65 Å²	65	60.6 Å²	60.6	33%	0.333	31%	0.313	S	S	.	.			trans	-114.8	86.8	-178.1	-57.9	169.1	0	0	0	108.3	L444 V491 D492 I493 A498	L444-I495 HydrophobicContact CD1-CD1 3.62Å; L444-I495 HydrophobicContact CD2-CG2 3.99Å; V491-I495 HydrophobicContact CG1-CD1 4.07Å; V491-I495 WeakPolarHBondContact O-CG1 3.32Å; V491-I495 PolarHBondContact O-N 3.32Å; D492-I495 PolarHBondContact O-N 3.26Å; I493-I495 PolarHBondContact O-N 3.34Å; I495-A498 HydrophobicContact CG2-CB 4.34Å
496	E	77.2	Confident	84.7	Confident	163 Å²	163	60.2 Å²	60.2	76%	0.762	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-20.3	-177.8	-62.1	-178.2	178.2	0	0	113	A498	E496-A498 VanDerWaalsContact C-N 3.29Å; E496-A498 PolarHBondContact O-N 2.81Å
497	D	78.4	Confident	84.1	Confident	155 Å²	155	59.6 Å²	59.6	83%	0.829	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.7	-171.2	-62.4	-31.6	0	0	0	114.9
498	A	82.8	Confident	83.4	Confident	13 Å²	13	55.4 Å²	55.4	11%	0.107	30%	0.297	C	S	.	.	S	Bend	trans	-132.7	132.1	-174.9	0	0	0	0	0	111.6	L444 I495 E496	L444-A498 HydrophobicContact CD2-CB 3.64Å; I495-A498 HydrophobicContact CG2-CB 4.34Å; E496-A498 VanDerWaalsContact C-N 3.29Å; E496-A498 PolarHBondContact O-N 2.81Å
499	Y	83.3	Confident	82.8	Confident	66 Å²	66	59.6 Å²	59.6	26%	0.259	32%	0.319	S	S	.	.			trans	-66	136	174.6	175.5	-108.2	0	0	0	111	F411 Y438 T441	F411-Y499 HydrophobicContact CB-CD2 3.82Å; F411-Y499 HydrophobicContact CB-CE2 4.4Å; F411-Y499 HydrophobicContact CD1-CD2 4.2Å; F411-Y499 HydrophobicContact CD1-CG 4.22Å; F411-Y499 AromaticContact CG-CD2 4Å; F411-Y499 HydrophobicContact CG-CD2 4Å; F411-Y499 HydrophobicContact CG-CG 4.47Å; Y438-Y499 AromaticContact CD2-CD1 3.4Å; Y438-Y499 HydrophobicContact CD2-CD1 3.4Å; Y438-Y499 HydrophobicContact CD2-CE1 4.04Å; Y438-Y499 AromaticContact CD2-CG 3.74Å; Y438-Y499 HydrophobicContact CD2-CG 3.74Å; Y438-Y499 AromaticContact CE2-CD1 3.83Å; Y438-Y499 HydrophobicContact CE2-CD1 3.83Å; Y438-Y499 HydrophobicContact CE2-CD2 4.49Å; Y438-Y499 HydrophobicContact CE2-CE1 4.12Å; Y438-Y499 HydrophobicContact CE2-CG 4.02Å; Y438-Y499 HydrophobicContact CG-CD1 4.24Å; Y438-Y499 HydrophobicContact CG-CG 4.29Å; T441-Y499 VanDerWaalsContact CB-O 3.31Å; T441-Y499 WeakPolarHBondContact CB-O 3.21Å; T441-Y499 HydrophobicContact CG2-CD1 4.17Å; T441-Y499 WeakPolarHBondContact CG2-O 3.27Å; T441-Y499 PolarHBondContact OG1-O 3.12Å
500	T	84.3	Confident	82.4	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.049	34%	0.336	C	S	.	.			trans	-128.7	140	167.3	58.1	0	0	0	0	110	L444 L448 D492 K502	L444-T500 HydrophobicContact CD2-CG2 3.44Å; L444-T500 VanDerWaalsContact CD2-CG2 3.44Å; L444-T500 HydrophobicContact CG-CG2 3.94Å; L448-T500 HydrophobicContact CD1-CG2 4.03Å; D492-T500 WeakPolarHBondContact OD1-CB 3.45Å; D492-T500 WeakPolarHBondContact OD1-CG2 2.98Å; D492-T500 PolarHBondContact OD1-OG1 3.3Å; D492-T500 PolarHBondContact OD2-OG1 2.92Å; T500-K502 PolarHBondContact O-N 3.38Å
501	Q	79.9	Confident	82	Confident	55 Å²	55	61.8 Å²	61.8	26%	0.257	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-71.9	117.5	176.9	-170.1	-178.9	12.5	0	0	109.2	M652	Q501-M652 HydrophobicContact CB-CB 4.46Å; Q501-M652 HydrophobicContact CG-CB 4.44Å; Q501-M652 HydrophobicContact CG-CG 4.26Å; Q501-M652 WeakPolarHBondContact O-CB 3.46Å; Q501-M652 PolarHBondContact O-N 3.22Å
502	K	84.5	Confident	81.5	Confident	92 Å²	92	60.3 Å²	60.3	40%	0.4	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-102	160.5	-178.1	-64.9	-176.7	-177.7	-173.4	0	112.2	D492 T500 R648	D492-K502 VanDerWaalsContact OD2-CE 3.29Å; D492-K502 WeakPolarHBondContact OD2-CE 3.44Å; D492-K502 IonicContact OD2-NZ 2.7Å; T500-K502 PolarHBondContact O-N 3.38Å; K502-R648 WeakPolarHBondContact CB-O 3.49Å
503	L	79.1	Confident	81	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.4	129.8	178.9	-167.2	83.2	0	0	0	111.3	I268 V284 V505 L647 I650 M652 L655	I268-L503 HydrophobicContact CG2-CD1 4.15Å; I268-L503 HydrophobicContact CG2-CD2 3.63Å; V284-L503 HydrophobicContact CG1-CD2 4.49Å; V284-L503 HydrophobicContact CG2-CD1 3.82Å; V284-L503 HydrophobicContact CG2-CD2 4.06Å; V284-L503 HydrophobicContact CG2-CG 4.02Å; L503-V505 HydrophobicContact CD2-CG2 3.41Å; L503-V505 VanDerWaalsContact CD2-CG2 3.41Å; L503-V505 HydrophobicContact CG-CG2 3.89Å; L503-L647 HydrophobicContact CD2-CB 4.27Å; L503-I650 PolarHBondContact N-O 3.21Å; L503-M652 HydrophobicContact CD1-SD 3.63Å; L503-L655 HydrophobicContact CD1-CD1 3.9Å
504	V	70.5	Confident	80.3	Confident	73 Å²	73	62 Å²	62	44%	0.442	33%	0.327	S	S	.	.			trans	-88	112.4	174.2	-176.1	0	0	0	0	109.3
505	V	77.1	Confident	79.5	Confident	2 Å²	2	67 Å²	67	1%	0.012	34%	0.336	C	S	.	.			trans	-128.6	129.4	175.5	-175.9	0	0	0	0	108.2	V284 L503 E644 L647 R648	V284-V505 HydrophobicContact CB-CG2 4.27Å; V284-V505 HydrophobicContact CG1-CG2 4.25Å; V284-V505 HydrophobicContact CG2-CG2 4.48Å; L503-V505 HydrophobicContact CD2-CG2 3.41Å; L503-V505 VanDerWaalsContact CD2-CG2 3.41Å; L503-V505 HydrophobicContact CG-CG2 3.89Å; V505-E644 HydrophobicContact CB-CG 4.33Å; V505-E644 HydrophobicContact CG1-CB 4.21Å; V505-E644 HydrophobicContact CG1-CG 4.11Å; V505-L647 HydrophobicContact CG2-CB 4.04Å; V505-R648 HydrophobicContact CB-CG 4.24Å; V505-R648 PolarHBondContact O-NE 3.4Å; V505-R648 PolarHBondContact O-NH2 2.98Å
506	P	73.3	Confident	78.7	Confident	12 Å²	12	65.3 Å²	65.3	8%	0.078	33%	0.331	C	S	.	.			trans	-73.2	160.1	177.7	30.2	-34.1	0	0	0	112.1	S285 G508 E510	S285-P506 WeakPolarHBondContact OG-CG 3.15Å; P506-G508 PolarHBondContact O-N 2.82Å; P506-E510 HydrophobicContact CB-CB 3.99Å; P506-E510 HydrophobicContact CG-CB 4.41Å; P506-E510 WeakPolarHBondContact CG-O 3.33Å
507	K	76.5	Confident	78.9	Confident	140 Å²	140	58 Å²	58	61%	0.609	30%	0.296	S	S	*	.	S	Bend	trans	-75.2	114.5	178.9	-72.8	-173	176.1	-178.2	0	109.3
508	G	77.1	Confident	79.1	Confident	22 Å²	22	52.3 Å²	52.3	23%	0.227	27%	0.274	C	S	.	.	S	Bend	trans	73.1	-151.8	-179.4	0	0	0	0	0	113.5	P506 E510 I641	P506-G508 PolarHBondContact O-N 2.82Å; G508-E510 VanDerWaalsContact C-N 3.31Å; G508-E510 PolarHBondContact O-N 3.31Å; G508-E510 VanDerWaalsContact O-N 3.12Å; G508-I641 WeakPolarHBondContact O-CG2 3.42Å
509	I	79.9	Confident	79.2	Confident	100 Å²	100	55.3 Å²	55.3	51%	0.513	28%	0.282	S	S	.	.	S	Bend	trans	-89.7	69.8	-175.9	-50.6	175.9	0	0	0	109.6	V289 W519 F642	V289-I509 HydrophobicContact CG2-CG2 4.29Å; I509-W519 HydrophobicContact CG2-CZ2 3.92Å; I509-F642 HydrophobicContact CD1-CZ 4.22Å; I509-F642 HydrophobicContact CG1-CZ 4.42Å
510	E	83.3	Confident	79.5	Confident	99 Å²	99	58.1 Å²	58.1	46%	0.463	30%	0.301	S	S	.	.			trans	-117.9	157.4	173	-69.7	-179.1	177.5	0	0	110.4	S285 P506 G508 P514	S285-E510 VanDerWaalsContact CB-O 3.31Å; S285-E510 WeakPolarHBondContact CB-O 3.31Å; S285-E510 PolarHBondContact OG-O 3.02Å; P506-E510 HydrophobicContact CB-CB 3.99Å; P506-E510 HydrophobicContact CG-CB 4.41Å; P506-E510 WeakPolarHBondContact CG-O 3.33Å; G508-E510 VanDerWaalsContact C-N 3.31Å; G508-E510 PolarHBondContact O-N 3.31Å; G508-E510 VanDerWaalsContact O-N 3.12Å; E510-P514 HydrophobicContact CB-CG 4.47Å
511	V	84.3	Confident	79.6	Confident	6 Å²	6	57.9 Å²	57.9	4%	0.036	30%	0.299	C	S	.	.			trans	-68.9	156.4	171.3	-66.7	0	0	0	0	110.1	E286 N513 P514 R517 W519	E286-V511 WeakPolarHBondContact OE1-CA 3.27Å; E286-V511 WeakPolarHBondContact OE1-CB 3.46Å; V511-N513 PolarHBondContact O-N 3.03Å; V511-P514 HydrophobicContact CG2-CB 4.26Å; V511-P514 HydrophobicContact CG2-CG 4.19Å; V511-P514 WeakPolarHBondContact O-CD 3.47Å; V511-R517 WeakPolarHBondContact CG2-O 3.1Å; V511-W519 HydrophobicContact CG1-CD2 3.83Å; V511-W519 HydrophobicContact CG1-CE3 4.32Å; V511-W519 HydrophobicContact CG1-CG 4.08Å; V511-W519 HydrophobicContact CG1-CZ2 4.18Å
512	T	81.1	Confident	80	Confident	14 Å²	14	59.1 Å²	59.1	9%	0.086	31%	0.307	C	S	.	.	S	Bend	trans	-59.5	-33.4	-176.5	-64.2	0	0	0	0	112.2	K280 G283 E286	K280-T512 HydrophobicContact CB-CG2 4.13Å; K280-T512 WeakPolarHBondContact O-CG2 3.32Å; G283-T512 VanDerWaalsContact CA-OG1 3.27Å; G283-T512 WeakPolarHBondContact CA-OG1 3.4Å; G283-T512 PolarHBondContact N-OG1 3.12Å; E286-T512 PolarHBondContact OE1-N 3.33Å; E286-T512 PolarHBondContact OE2-OG1 3.22Å
513	N	80.3	Confident	80.1	Confident	40 Å²	40	57.2 Å²	57.2	21%	0.214	30%	0.304	C	S	.	.			trans	-130.8	90.1	173.6	-170.8	-11.7	0	0	0	112	K280 V511 K515 S516 R517	K280-N513 WeakPolarHBondContact O-CB 3.22Å; V511-N513 PolarHBondContact O-N 3.03Å; N513-K515 PolarHBondContact O-N 2.99Å; N513-K515 PolarHBondContact OD1-N 2.78Å; N513-S516 PolarHBondContact ND2-OG 3.43Å; N513-S516 PolarHBondContact O-N 3.15Å; N513-S516 VanDerWaalsContact O-N 3.15Å; N513-S516 PolarHBondContact OD1-N 2.82Å; N513-R517 PolarHBondContact O-N 3.46Å
514	P	74.9	Confident	80.4	Confident	74 Å²	74	61.8 Å²	61.8	48%	0.481	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.1	-178	-22.9	34.3	0	0	0	114.5	E510 V511 S516	E510-P514 HydrophobicContact CB-CG 4.47Å; V511-P514 HydrophobicContact CG2-CB 4.26Å; V511-P514 HydrophobicContact CG2-CG 4.19Å; V511-P514 WeakPolarHBondContact O-CD 3.47Å; P514-S516 VanDerWaalsContact C-N 3.31Å
515	K	74.2	Confident	80.9	Confident	202 Å²	202	58.8 Å²	58.8	88%	0.878	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.4	177.5	-63.5	-177.2	180	-179.7	0	112.1	N513	N513-K515 PolarHBondContact O-N 2.99Å; N513-K515 PolarHBondContact OD1-N 2.78Å
516	S	71.6	Confident	80.6	Confident	31 Å²	31	62.2 Å²	62.2	22%	0.217	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-30.1	-171.3	-72.5	0	0	0	0	114.2	N513 P514	N513-S516 PolarHBondContact ND2-OG 3.43Å; N513-S516 PolarHBondContact O-N 3.15Å; N513-S516 VanDerWaalsContact O-N 3.15Å; N513-S516 PolarHBondContact OD1-N 2.82Å; P514-S516 VanDerWaalsContact C-N 3.31Å
517	R	80.9	Confident	80.7	Confident	10 Å²	10	68.9 Å²	68.9	4%	0.038	36%	0.355	C	S	.	.			trans	-158.2	160.4	-177.4	70.6	178	-161.2	92.1	1.4	113	M281 E286 V511 N513 G591	M281-R517 PolarHBondContact O-NE 2.66Å; E286-R517 IonicContact OE1-CZ 3.4Å; E286-R517 IonicContact OE1-NH2 3.44Å; E286-R517 PolarHBondContact OE1-NH2 3.32Å; V511-R517 WeakPolarHBondContact CG2-O 3.1Å; N513-R517 PolarHBondContact O-N 3.46Å; R517-G591 PolarHBondContact NH2-O 2.9Å
518	G	82.9	Confident	80.8	Confident	35 Å²	35	68.5 Å²	68.5	36%	0.361	35%	0.353	S	S	.	.			trans	-94.5	-175.5	166.1	0	0	0	0	0	113.5
519	W	84.4	Confident	81.1	Confident	75 Å²	75	73 Å²	73	28%	0.284	38%	0.378	S	S	.	.	S	Bend	trans	-73.4	-33.5	173.2	-79.9	102.1	0	0	0	112.9	V289 I509 V511 F590 V592	V289-W519 HydrophobicContact CB-CH2 4.06Å; V289-W519 HydrophobicContact CB-CZ3 4.42Å; V289-W519 HydrophobicContact CG1-CH2 4.12Å; V289-W519 HydrophobicContact CG1-CZ3 4.16Å; V289-W519 HydrophobicContact CG2-CH2 3.85Å; I509-W519 HydrophobicContact CG2-CZ2 3.92Å; V511-W519 HydrophobicContact CG1-CD2 3.83Å; V511-W519 HydrophobicContact CG1-CE3 4.32Å; V511-W519 HydrophobicContact CG1-CG 4.08Å; V511-W519 HydrophobicContact CG1-CZ2 4.18Å; W519-F590 CarbonylContact O-C 3.53Å; W519-F590 WeakPolarHBondContact O-CA 3.4Å; W519-V592 HydrophobicContact CE3-CG1 4.18Å; W519-V592 HydrophobicContact CZ3-CG1 3.61Å
520	I	88.5	Confident	81.4	Confident	126 Å²	126	68.8 Å²	68.8	65%	0.646	36%	0.356	S	S	*	.	S	Bend	trans	-103.5	123.2	178.3	-61.8	173.9	0	0	0	107.9	F590	I520-F590 HydrophobicContact CG1-CD1 4.49Å
521	I	88.3	Confident	81.6	Confident	2 Å²	2	66 Å²	66	1%	0.01	35%	0.347	C	S	.	.			trans	-104.1	136.6	-179.6	-63.5	126.8	0	0	0	110	I334 V335 I338 E526 I589	I334-I521 HydrophobicContact CD1-CD1 3.93Å; I334-I521 HydrophobicContact CG1-CD1 3.34Å; I334-I521 HydrophobicContact CG1-CG1 3.79Å; I334-I521 HydrophobicContact CG1-CG2 4.39Å; I334-I521 HydrophobicContact CG2-CG1 4.47Å; I334-I521 HydrophobicContact CG2-CG2 4Å; V335-I521 HydrophobicContact CG2-CG2 3.89Å; I338-I521 HydrophobicContact CD1-CB 3.71Å; I338-I521 HydrophobicContact CD1-CG2 3.45Å; I338-I521 VanDerWaalsContact CD1-CG2 3.45Å; I521-E526 HydrophobicContact CG2-CG 4.44Å; I521-I589 PolarHBondContact N-O 3.08Å
522	N	88	Confident	81.8	Confident	81 Å²	81	72.5 Å²	72.5	43%	0.433	38%	0.38	S	S	.	.			trans	-75.9	122.6	176.1	-174.8	-6.5	0	0	0	110.9	M524 G525	N522-M524 PolarHBondContact O-N 3.09Å; N522-M524 VanDerWaalsContact O-N 3.12Å; N522-M524 PolarHBondContact OD1-N 2.92Å; N522-M524 VanDerWaalsContact OD1-N 3.08Å; N522-G525 PolarHBondContact O-N 3.33Å; N522-G525 VanDerWaalsContact O-N 3.14Å
523	P	85.8	Confident	82.2	Confident	52 Å²	52	79.6 Å²	79.6	34%	0.338	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.7	179.4	26.1	-35.9	0	0	0	114.4	V335 I338 W339	V335-P523 VanDerWaalsContact CG1-O 3.31Å; V335-P523 WeakPolarHBondContact CG1-O 3.36Å; I338-P523 HydrophobicContact CD1-CB 4.5Å; I338-P523 HydrophobicContact CG2-CB 4.21Å; W339-P523 PolarHBondContact NE1-O 3.46Å
524	M	85.1	Confident	82.6	Confident	101 Å²	101	78 Å²	78	50%	0.498	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.8	178.2	-63.2	-65.6	107.2	0	0	113.8	W339 N522 F530 M535	W339-M524 HydrophobicContact CH2-CE 4.44Å; W339-M524 HydrophobicContact CZ2-CE 3.64Å; N522-M524 PolarHBondContact O-N 3.09Å; N522-M524 VanDerWaalsContact O-N 3.12Å; N522-M524 PolarHBondContact OD1-N 2.92Å; N522-M524 VanDerWaalsContact OD1-N 3.08Å; M524-F530 PolarHBondContact O-N 2.88Å; M524-M535 HydrophobicContact CE-CE 3.69Å; M524-M535 HydrophobicContact CE-SD 4.41Å; M524-M535 HydrophobicContact SD-CE 4.09Å
525	G	81.4	Confident	83.3	Confident	11 Å²	11	75.5 Å²	75.5	11%	0.113	38%	0.379	C	S	.	.			trans	119.4	142.3	-172.7	0	0	0	0	0	112.9	N522 K528	N522-G525 PolarHBondContact O-N 3.33Å; N522-G525 VanDerWaalsContact O-N 3.14Å; G525-K528 VanDerWaalsContact CA-O 3.25Å; G525-K528 WeakPolarHBondContact CA-O 3.47Å
526	E	71.9	Confident	84.1	Confident	74 Å²	74	67.8 Å²	67.8	35%	0.346	36%	0.357	S	S	.	.	S	Bend	trans	-96.6	-52.3	169.1	-77.8	-164.6	172.8	0	0	112.1	E332 I521	E332-E526 PolarHBondContact OE2-N 2.87Å; I521-E526 HydrophobicContact CG2-CG 4.44Å
527	K	75.4	Confident	84.9	Confident	152 Å²	152	68.2 Å²	68.2	66%	0.661	36%	0.362	S	S	*	.	S	Bend	trans	-103.9	-32.5	-178.1	-51.9	177.3	-179.8	177	0	111.7	E332	E332-K527 WeakPolarHBondContact OE1-CA 3.46Å; E332-K527 WeakPolarHBondContact OE1-CB 3.31Å; E332-K527 PolarHBondContact OE1-N 2.93Å
528	K	78.6	Confident	85.4	Confident	131 Å²	131	67.7 Å²	67.7	57%	0.57	36%	0.36	S	S	*	.	S	Bend	trans	-130.4	143.6	179	-64.8	-177.5	-177.9	179.2	0	110.7	E332 G525 F530	E332-K528 PolarHBondContact OE1-N 3.3Å; G525-K528 VanDerWaalsContact CA-O 3.25Å; G525-K528 WeakPolarHBondContact CA-O 3.47Å; K528-F530 PolarHBondContact O-N 2.99Å
529	P	82.2	Confident	85.9	Confident	117 Å²	117	68.1 Å²	68.1	76%	0.76	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-62.5	128.9	174.4	26.8	-33.3	0	0	0	110.1
530	F	86.4	Confident	86.1	Confident	11 Å²	11	69.9 Å²	69.9	5%	0.048	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-74.6	129.3	-177.7	-167.5	-97.5	0	0	0	111	I331 V335 W339 M524 K528 I532 M534 M535	I331-F530 HydrophobicContact CG2-CD2 3.9Å; I331-F530 HydrophobicContact CG2-CE2 3.31Å; I331-F530 HydrophobicContact CG2-CZ 4.1Å; V335-F530 HydrophobicContact CB-CD2 3.83Å; V335-F530 HydrophobicContact CB-CE2 4.25Å; V335-F530 HydrophobicContact CB-CG 4.47Å; V335-F530 HydrophobicContact CG1-CB 3.83Å; V335-F530 HydrophobicContact CG1-CD1 4.45Å; V335-F530 HydrophobicContact CG1-CD2 3.55Å; V335-F530 HydrophobicContact CG1-CE2 4.19Å; V335-F530 HydrophobicContact CG1-CG 3.7Å; W339-F530 AromaticContact CD1-CD1 3.78Å; W339-F530 AromaticContact CD1-CE1 3.54Å; W339-F530 HydrophobicContact CG-CE1 4.23Å; W339-F530 AromaticContact NE1-CD1 3.85Å; M524-F530 PolarHBondContact O-N 2.88Å; K528-F530 PolarHBondContact O-N 2.99Å; F530-I532 PolarHBondContact O-N 3.07Å; F530-M534 HydrophobicContact CE1-CB 3.78Å; F530-M534 HydrophobicContact CE1-CG 3.78Å; F530-M534 HydrophobicContact CE2-CG 4.28Å; F530-M534 HydrophobicContact CZ-CB 3.94Å; F530-M534 HydrophobicContact CZ-CG 3.42Å; F530-M534 VanDerWaalsContact CZ-CG 3.42Å; F530-M535 HydrophobicContact CB-CE 4.15Å; F530-M535 HydrophobicContact CD1-CE 3.82Å; F530-M535 HydrophobicContact CD1-CG 3.54Å; F530-M535 HydrophobicContact CE1-CB 4.48Å; F530-M535 HydrophobicContact CE1-CG 3.7Å; F530-M535 HydrophobicContact CG-CE 4.48Å
531	P	87.9	Confident	86.1	Confident	42 Å²	42	65 Å²	65	27%	0.273	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-63	129	-177.2	-20.7	31	0	0	0	112.8	W533 M534 M535	P531-W533 VanDerWaalsContact C-N 3.31Å; P531-W533 HydrophobicContact CB-CG 4.42Å; P531-W533 VanDerWaalsContact CB-NE1 3.34Å; P531-W533 PolarHBondContact O-N 3.02Å; P531-M534 HydrophobicContact CB-CB 4.1Å; P531-M534 WeakPolarHBondContact O-CB 3.33Å; P531-M534 PolarHBondContact O-N 3.48Å; P531-M535 PolarHBondContact O-N 3.42Å
532	I	87.5	Confident	86.4	Confident	142 Å²	142	65 Å²	65	73%	0.728	35%	0.352	S	S	*	.	H	α-helix	trans	-61.5	-38.7	-177.3	-60.7	168.4	0	0	0	111.9	F530 M534 M535	F530-I532 PolarHBondContact O-N 3.07Å; I532-M534 PolarHBondContact O-N 3.13Å; I532-M535 VanDerWaalsContact O-CB 3.31Å; I532-M535 WeakPolarHBondContact O-CB 3.44Å; I532-M535 PolarHBondContact O-N 3.49Å; I532-M535 VanDerWaalsContact O-N 3.12Å
533	W	90.1	Very high	86.5	Confident	162 Å²	162	64.4 Å²	64.4	61%	0.614	35%	0.349	S	S	*	.	H	α-helix	trans	-61	-33.8	176.9	69.7	-96.1	0	0	0	111.9	I331 P531 M535 G536 A537	I331-W533 HydrophobicContact CD1-CH2 4.41Å; I331-W533 HydrophobicContact CD1-CZ2 4.36Å; P531-W533 VanDerWaalsContact C-N 3.31Å; P531-W533 HydrophobicContact CB-CG 4.42Å; P531-W533 VanDerWaalsContact CB-NE1 3.34Å; P531-W533 PolarHBondContact O-N 3.02Å; W533-M535 VanDerWaalsContact C-N 3.33Å; W533-G536 PolarHBondContact O-N 3.39Å; W533-A537 HydrophobicContact CE3-CB 4.2Å; W533-A537 HydrophobicContact CZ3-CB 4.24Å; W533-A537 WeakPolarHBondContact O-CB 3.25Å; W533-A537 PolarHBondContact O-N 2.81Å
534	M	87.9	Confident	86.5	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.03	34%	0.335	C	S	.	.	H	α-helix	trans	-70.9	-31.9	179.1	-173.1	65.7	-174.5	0	0	111.1	F322 F325 I331 F530 P531 I532 G536 A537 C538	F322-M534 HydrophobicContact CE2-CE 4.38Å; F325-M534 HydrophobicContact CD1-CE 4.35Å; F325-M534 HydrophobicContact CE1-CE 3.59Å; F325-M534 HydrophobicContact CE1-SD 4.36Å; I331-M534 HydrophobicContact CD1-CE 4.35Å; I331-M534 HydrophobicContact CD1-CG 3.96Å; I331-M534 HydrophobicContact CD1-SD 3.92Å; I331-M534 HydrophobicContact CG2-CG 4.49Å; F530-M534 HydrophobicContact CE1-CB 3.78Å; F530-M534 HydrophobicContact CE1-CG 3.78Å; F530-M534 HydrophobicContact CE2-CG 4.28Å; F530-M534 HydrophobicContact CZ-CB 3.94Å; F530-M534 HydrophobicContact CZ-CG 3.42Å; F530-M534 VanDerWaalsContact CZ-CG 3.42Å; P531-M534 HydrophobicContact CB-CB 4.1Å; P531-M534 WeakPolarHBondContact O-CB 3.33Å; P531-M534 PolarHBondContact O-N 3.48Å; I532-M534 PolarHBondContact O-N 3.13Å; M534-G536 VanDerWaalsContact C-N 3.28Å; M534-G536 PolarHBondContact O-N 2.95Å; M534-A537 PolarHBondContact O-N 3.13Å; M534-A537 HydrophobicContact SD-CB 4.23Å; M534-C538 PolarHBondContact O-N 2.71Å; M534-C538 PolarHBondContact O-SG 3.33Å
535	M	90.3	Very high	86.8	Confident	22 Å²	22	57.6 Å²	57.6	11%	0.108	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-41.1	175	-56.4	178.2	173.1	0	0	111.5	W339 W343 M524 F530 P531 I532 W533	W339-M535 HydrophobicContact CD2-CB 3.73Å; W339-M535 HydrophobicContact CD2-CG 3.79Å; W339-M535 HydrophobicContact CD2-SD 4.43Å; W339-M535 VanDerWaalsContact CE2-CG 3.45Å; W339-M535 HydrophobicContact CE3-CB 3.89Å; W339-M535 HydrophobicContact CE3-CG 4.37Å; W339-M535 HydrophobicContact CG-CB 4.21Å; W339-M535 HydrophobicContact CG-CG 4.17Å; W339-M535 HydrophobicContact CH2-CB 4.32Å; W339-M535 HydrophobicContact CH2-CG 4.33Å; W339-M535 HydrophobicContact CH2-SD 3.79Å; W339-M535 HydrophobicContact CZ2-CB 4.2Å; W339-M535 HydrophobicContact CZ2-CE 3.73Å; W339-M535 HydrophobicContact CZ2-CG 3.76Å; W339-M535 HydrophobicContact CZ2-SD 3.27Å; W339-M535 WeakPolarHBondContact CZ2-SD 3.24Å; W339-M535 HydrophobicContact CZ3-CB 4.18Å; W343-M535 PolarHBondContact NE1-O 2.87Å; M524-M535 HydrophobicContact CE-CE 3.69Å; M524-M535 HydrophobicContact CE-SD 4.41Å; M524-M535 HydrophobicContact SD-CE 4.09Å; F530-M535 HydrophobicContact CB-CE 4.15Å; F530-M535 HydrophobicContact CD1-CE 3.82Å; F530-M535 HydrophobicContact CD1-CG 3.54Å; F530-M535 HydrophobicContact CE1-CB 4.48Å; F530-M535 HydrophobicContact CE1-CG 3.7Å; F530-M535 HydrophobicContact CG-CE 4.48Å; P531-M535 PolarHBondContact O-N 3.42Å; I532-M535 VanDerWaalsContact O-CB 3.31Å; I532-M535 WeakPolarHBondContact O-CB 3.44Å; I532-M535 PolarHBondContact O-N 3.49Å; I532-M535 VanDerWaalsContact O-N 3.12Å; W533-M535 VanDerWaalsContact C-N 3.33Å
536	G	90.7	Very high	87.3	Confident	41 Å²	41	57.5 Å²	57.5	42%	0.423	31%	0.308	S	S	.	.	H	α-helix	trans	-73.1	-42.8	173	0	0	0	0	0	112.7	W533 M534 C538 C539	W533-G536 PolarHBondContact O-N 3.39Å; M534-G536 VanDerWaalsContact C-N 3.28Å; M534-G536 PolarHBondContact O-N 2.95Å; G536-C538 PolarHBondContact O-N 3.27Å; G536-C539 VanDerWaalsContact O-CB 3.29Å; G536-C539 WeakPolarHBondContact O-CB 3.41Å; G536-C539 PolarHBondContact O-N 3.31Å; G536-C539 VanDerWaalsContact O-N 3.11Å
537	A	89.6	Confident	88	Confident	39 Å²	39	54.9 Å²	54.9	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-28.5	179.4	0	0	0	0	0	113.1	W533 M534 C539 V540 P541	W533-A537 HydrophobicContact CE3-CB 4.2Å; W533-A537 HydrophobicContact CZ3-CB 4.24Å; W533-A537 WeakPolarHBondContact O-CB 3.25Å; W533-A537 PolarHBondContact O-N 2.81Å; M534-A537 PolarHBondContact O-N 3.13Å; M534-A537 HydrophobicContact SD-CB 4.23Å; A537-C539 PolarHBondContact O-N 3.42Å; A537-V540 PolarHBondContact O-N 2.95Å; A537-P541 WeakPolarHBondContact O-CD 3.3Å
538	C	90.7	Very high	88.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-14.9	174	-78.6	0	0	0	0	114.2	W339 V340 M534 G536 V540 P541 A542	W339-C538 HydrophobicContact CB-CB 3.78Å; V340-C538 HydrophobicContact CG2-CB 4.08Å; M534-C538 PolarHBondContact O-N 2.71Å; M534-C538 PolarHBondContact O-SG 3.33Å; G536-C538 PolarHBondContact O-N 3.27Å; C538-V540 PolarHBondContact O-N 2.8Å; C538-P541 WeakPolarHBondContact O-CD 3.4Å; C538-P541 WeakPolarHBondContact O-CG 3.19Å; C538-A542 VanDerWaalsContact O-CB 3.24Å; C538-A542 WeakPolarHBondContact O-CB 3.25Å; C538-A542 PolarHBondContact O-N 3.16Å
539	C	92.9	Very high	89.1	Confident	44 Å²	44	42 Å²	42	30%	0.297	24%	0.241	S	C	.	.	H	α-helix	trans	-58.7	-34	170.9	-176.1	0	0	0	0	112.5	W343 G536 A537 A542 L543	W343-C539 HydrophobicContact CD2-CB 3.85Å; W343-C539 HydrophobicContact CE3-CB 4.25Å; W343-C539 HydrophobicContact CG-CB 4.11Å; W343-C539 HydrophobicContact CZ2-CB 4.37Å; G536-C539 VanDerWaalsContact O-CB 3.29Å; G536-C539 WeakPolarHBondContact O-CB 3.41Å; G536-C539 PolarHBondContact O-N 3.31Å; G536-C539 VanDerWaalsContact O-N 3.11Å; A537-C539 PolarHBondContact O-N 3.42Å; C539-A542 PolarHBondContact O-N 3.49Å; C539-L543 WeakPolarHBondContact O-CB 3.4Å; C539-L543 PolarHBondContact O-N 2.75Å
540	V	89.2	Confident	89.5	Confident	111 Å²	111	37.3 Å²	37.3	67%	0.673	21%	0.208	S	C	*	.	H	α-helix	trans	-67.6	-55.7	179.8	178.5	0	0	0	0	111.8	A537 C538 A542 L543 L544	A537-V540 PolarHBondContact O-N 2.95Å; C538-V540 PolarHBondContact O-N 2.8Å; V540-A542 VanDerWaalsContact C-N 3.25Å; V540-A542 PolarHBondContact O-N 3.16Å; V540-L543 PolarHBondContact O-N 3.33Å; V540-L544 PolarHBondContact O-N 2.95Å
541	P	89.3	Confident	89.3	Confident	25 Å²	25	37 Å²	37	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-31.2	173.6	18.8	-27.8	0	0	0	112.8	F318 F322 V340 A537 C538 L544 V545	F318-P541 HydrophobicContact CE2-CB 3.83Å; F318-P541 HydrophobicContact CZ-CB 3.75Å; F322-P541 HydrophobicContact CE2-CG 4.35Å; V340-P541 HydrophobicContact CG2-CB 4.11Å; V340-P541 HydrophobicContact CG2-CG 3.9Å; A537-P541 WeakPolarHBondContact O-CD 3.3Å; C538-P541 WeakPolarHBondContact O-CD 3.4Å; C538-P541 WeakPolarHBondContact O-CG 3.19Å; P541-L544 WeakPolarHBondContact O-CB 3.36Å; P541-L544 PolarHBondContact O-N 3.34Å; P541-V545 WeakPolarHBondContact O-CG2 3.47Å; P541-V545 PolarHBondContact O-N 3.12Å
542	A	92.8	Very high	89.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-44.9	173.9	0	0	0	0	0	112.6	V340 W343 L344 I347 C538 C539 V540 L544 V545 F546	V340-A542 HydrophobicContact CG1-CB 4.11Å; V340-A542 WeakPolarHBondContact O-CB 3.47Å; W343-A542 HydrophobicContact CB-CB 3.35Å; W343-A542 HydrophobicContact CG-CB 4.4Å; L344-A542 HydrophobicContact CD2-CB 4.45Å; L344-A542 WeakPolarHBondContact CD2-O 2.97Å; L344-A542 HydrophobicContact CG-CB 4.35Å; I347-A542 HydrophobicContact CD1-CB 4.04Å; C538-A542 VanDerWaalsContact O-CB 3.24Å; C538-A542 WeakPolarHBondContact O-CB 3.25Å; C538-A542 PolarHBondContact O-N 3.16Å; C539-A542 PolarHBondContact O-N 3.49Å; V540-A542 VanDerWaalsContact C-N 3.25Å; V540-A542 PolarHBondContact O-N 3.16Å; A542-L544 PolarHBondContact O-N 2.82Å; A542-V545 PolarHBondContact O-N 3.27Å; A542-F546 VanDerWaalsContact O-CB 3.31Å; A542-F546 WeakPolarHBondContact O-CB 2.87Å; A542-F546 PolarHBondContact O-N 3.42Å
543	L	90.7	Very high	89.2	Confident	70 Å²	70	29.1 Å²	29.1	37%	0.366	16%	0.164	S	C	.	.	H	α-helix	trans	-57.9	-38.9	174.5	-179.1	64.5	0	0	0	111.3	I347 C539 V540 F546 I547 F728	I347-L543 HydrophobicContact CD1-CB 4.19Å; I347-L543 HydrophobicContact CG2-CD1 4.49Å; C539-L543 WeakPolarHBondContact O-CB 3.4Å; C539-L543 PolarHBondContact O-N 2.75Å; V540-L543 PolarHBondContact O-N 3.33Å; L543-F546 PolarHBondContact O-N 3.37Å; L543-I547 HydrophobicContact CD1-CD1 4.45Å; L543-I547 HydrophobicContact CG-CD1 4.19Å; L543-I547 VanDerWaalsContact O-CG1 3.27Å; L543-I547 WeakPolarHBondContact O-CG1 3.21Å; L543-I547 PolarHBondContact O-N 3.08Å; L543-F728 HydrophobicContact CD2-CZ 4.21Å
544	L	86.4	Confident	89.1	Confident	9 Å²	9	21.5 Å²	21.5	5%	0.047	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-50.6	177.3	177.2	63	0	0	0	112.8	F318 V540 P541 A542 F546 I547 L548 L724 P727 F728	F318-L544 HydrophobicContact CD2-CD2 3.75Å; F318-L544 HydrophobicContact CD2-CG 4.28Å; F318-L544 HydrophobicContact CE2-CD2 3.93Å; F318-L544 HydrophobicContact CE2-CG 4.49Å; V540-L544 PolarHBondContact O-N 2.95Å; P541-L544 WeakPolarHBondContact O-CB 3.36Å; P541-L544 PolarHBondContact O-N 3.34Å; A542-L544 PolarHBondContact O-N 2.82Å; L544-F546 VanDerWaalsContact C-N 3.25Å; L544-F546 PolarHBondContact O-N 3Å; L544-I547 PolarHBondContact O-N 2.93Å; L544-L548 PolarHBondContact O-N 2.98Å; L544-L724 WeakPolarHBondContact CD1-O 3.37Å; L544-L724 HydrophobicContact CD2-CB 3.73Å; L544-L724 HydrophobicContact CD2-CD2 3.66Å; L544-L724 HydrophobicContact CD2-CG 4.3Å; L544-L724 WeakPolarHBondContact CD2-O 3.46Å; L544-L724 WeakPolarHBondContact CG-O 3.44Å; L544-P727 HydrophobicContact CD1-CB 4.1Å; L544-P727 VanDerWaalsContact CD1-CD 3.42Å; L544-P727 HydrophobicContact CD1-CG 3.44Å; L544-P727 VanDerWaalsContact CD1-CG 3.44Å; L544-F728 HydrophobicContact CD1-CE2 4.3Å
545	V	90.1	Very high	88.8	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-38.6	176.9	174.8	0	0	0	0	110.4	L315 F318 V340 L344 P541 A542 I547 L548 I549 W594	L315-V545 HydrophobicContact CD2-CG1 4.2Å; F318-V545 HydrophobicContact CD1-CG2 3.48Å; F318-V545 VanDerWaalsContact CD1-CG2 3.48Å; F318-V545 HydrophobicContact CD2-CG2 3.56Å; F318-V545 HydrophobicContact CE1-CG2 3.35Å; F318-V545 HydrophobicContact CE2-CG2 3.4Å; F318-V545 VanDerWaalsContact CE2-CG2 3.4Å; F318-V545 HydrophobicContact CG-CG2 3.59Å; F318-V545 HydrophobicContact CZ-CG2 3.3Å; V340-V545 HydrophobicContact CG1-CG2 4.41Å; L344-V545 HydrophobicContact CD1-CB 4.33Å; L344-V545 HydrophobicContact CD1-CG1 3.76Å; L344-V545 HydrophobicContact CD2-CB 4.05Å; L344-V545 HydrophobicContact CD2-CG1 4.09Å; P541-V545 WeakPolarHBondContact O-CG2 3.47Å; P541-V545 PolarHBondContact O-N 3.12Å; A542-V545 PolarHBondContact O-N 3.27Å; V545-I547 PolarHBondContact O-N 3.12Å; V545-L548 WeakPolarHBondContact O-CB 3.16Å; V545-L548 PolarHBondContact O-N 2.94Å; V545-I549 HydrophobicContact CG1-CD1 3.69Å; V545-I549 HydrophobicContact CG1-CG1 4.22Å; V545-I549 WeakPolarHBondContact O-CG1 3.5Å; V545-I549 PolarHBondContact O-N 3.26Å; V545-W594 HydrophobicContact CG1-CD2 4.27Å; V545-W594 HydrophobicContact CG1-CE3 4.03Å; V545-W594 HydrophobicContact CG2-CE3 4.41Å; V545-W594 HydrophobicContact CG2-CZ3 4.13Å
546	F	92.6	Very high	88.6	Confident	10 Å²	10	20.6 Å²	20.6	4%	0.044	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-48.7	175.3	177.1	-99.6	0	0	0	111.2	L344 I347 V348 V351 A542 L543 L544 L548 I549 F550 L577 V581	L344-F546 HydrophobicContact CD2-CB 3.63Å; I347-F546 HydrophobicContact CB-CG 4.46Å; I347-F546 HydrophobicContact CG2-CB 4.03Å; I347-F546 HydrophobicContact CG2-CD1 3.57Å; I347-F546 HydrophobicContact CG2-CD2 3.85Å; I347-F546 HydrophobicContact CG2-CE1 3.98Å; I347-F546 HydrophobicContact CG2-CE2 4.23Å; I347-F546 HydrophobicContact CG2-CG 3.5Å; I347-F546 VanDerWaalsContact CG2-CG 3.5Å; I347-F546 HydrophobicContact CG2-CZ 4.29Å; V348-F546 HydrophobicContact CB-CD2 4.34Å; V348-F546 HydrophobicContact CB-CE2 3.78Å; V348-F546 HydrophobicContact CG2-CE2 3.96Å; V351-F546 HydrophobicContact CB-CE1 4.19Å; V351-F546 HydrophobicContact CB-CZ 3.74Å; V351-F546 HydrophobicContact CG1-CE1 4.12Å; V351-F546 HydrophobicContact CG1-CZ 3.74Å; V351-F546 HydrophobicContact CG2-CE1 3.71Å; V351-F546 HydrophobicContact CG2-CZ 3.75Å; A542-F546 VanDerWaalsContact O-CB 3.31Å; A542-F546 WeakPolarHBondContact O-CB 2.87Å; A542-F546 PolarHBondContact O-N 3.42Å; L543-F546 PolarHBondContact O-N 3.37Å; L544-F546 VanDerWaalsContact C-N 3.25Å; L544-F546 PolarHBondContact O-N 3Å; F546-L548 VanDerWaalsContact C-N 3.31Å; F546-L548 PolarHBondContact O-N 3.33Å; F546-I549 PolarHBondContact O-N 3.36Å; F546-F550 HydrophobicContact CE1-CB 4.29Å; F546-F550 HydrophobicContact CE1-CD2 4.37Å; F546-F550 HydrophobicContact CE1-CG 4.48Å; F546-F550 HydrophobicContact CZ-CB 4.4Å; F546-F550 HydrophobicContact CZ-CD2 4.1Å; F546-F550 WeakPolarHBondContact O-CB 3.44Å; F546-F550 PolarHBondContact O-N 3.45Å; F546-L577 HydrophobicContact CZ-CD2 4.43Å; F546-V581 HydrophobicContact CD2-CG1 4.24Å; F546-V581 HydrophobicContact CD2-CG2 4.26Å; F546-V581 HydrophobicContact CE2-CG2 4.25Å
547	I	87.3	Confident	88.5	Confident	18 Å²	18	18.8 Å²	18.8	9%	0.092	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-42.7	178.2	-69.4	165.2	0	0	0	110.7	L543 L544 V545 F550 M551 P727 F728 I731	L543-I547 HydrophobicContact CD1-CD1 4.45Å; L543-I547 HydrophobicContact CG-CD1 4.19Å; L543-I547 VanDerWaalsContact O-CG1 3.27Å; L543-I547 WeakPolarHBondContact O-CG1 3.21Å; L543-I547 PolarHBondContact O-N 3.08Å; L544-I547 PolarHBondContact O-N 2.93Å; V545-I547 PolarHBondContact O-N 3.12Å; I547-F550 PolarHBondContact O-N 3.16Å; I547-M551 HydrophobicContact CG2-CG 4.18Å; I547-M551 WeakPolarHBondContact O-CB 3.43Å; I547-M551 VanDerWaalsContact O-CG 3.23Å; I547-M551 WeakPolarHBondContact O-CG 3.37Å; I547-M551 PolarHBondContact O-N 3.46Å; I547-P727 HydrophobicContact CB-CB 4.34Å; I547-P727 HydrophobicContact CG2-CB 3.56Å; I547-F728 HydrophobicContact CD1-CD1 4.33Å; I547-F728 HydrophobicContact CD1-CE1 3.75Å; I547-F728 HydrophobicContact CD1-CE2 4.45Å; I547-F728 HydrophobicContact CD1-CZ 3.83Å; I547-I731 HydrophobicContact CD1-CD1 4.4Å; I547-I731 HydrophobicContact CG1-CD1 4.5Å; I547-I731 HydrophobicContact CG2-CD1 3.58Å
548	L	85.9	Confident	88.1	Confident	12 Å²	12	18.8 Å²	18.8	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-53	176.8	-76.1	174.5	0	0	0	112	P314 F318 L544 V545 F546 F550 M551 E552 P727	P314-L548 HydrophobicContact CB-CD1 4.37Å; P314-L548 HydrophobicContact CB-CD2 3.79Å; F318-L548 HydrophobicContact CB-CD1 4.32Å; L544-L548 PolarHBondContact O-N 2.98Å; V545-L548 WeakPolarHBondContact O-CB 3.16Å; V545-L548 PolarHBondContact O-N 2.94Å; F546-L548 VanDerWaalsContact C-N 3.31Å; F546-L548 PolarHBondContact O-N 3.33Å; L548-F550 VanDerWaalsContact C-N 3.3Å; L548-F550 PolarHBondContact O-N 3.06Å; L548-M551 PolarHBondContact O-N 3.15Å; L548-E552 PolarHBondContact O-N 3.09Å; L548-P727 HydrophobicContact CD1-CG 4.34Å; L548-P727 HydrophobicContact CD2-CB 4.16Å; L548-P727 HydrophobicContact CD2-CG 3.35Å; L548-P727 HydrophobicContact CG-CB 4.45Å; L548-P727 HydrophobicContact CG-CG 3.63Å
549	I	90.5	Very high	87.6	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-40.8	-180	-67.7	175.7	0	0	0	110.6	L315 V545 F546 S553 L580 V581 W594	L315-I549 HydrophobicContact CD2-CD1 4.38Å; L315-I549 HydrophobicContact CD2-CG1 4.02Å; V545-I549 HydrophobicContact CG1-CD1 3.69Å; V545-I549 HydrophobicContact CG1-CG1 4.22Å; V545-I549 WeakPolarHBondContact O-CG1 3.5Å; V545-I549 PolarHBondContact O-N 3.26Å; F546-I549 PolarHBondContact O-N 3.36Å; I549-S553 WeakPolarHBondContact O-CB 3.32Å; I549-S553 PolarHBondContact O-N 2.99Å; I549-S553 PolarHBondContact O-OG 2.86Å; I549-L580 HydrophobicContact CG2-CD2 3.24Å; I549-V581 HydrophobicContact CG2-CG2 3.77Å; I549-W594 HydrophobicContact CD1-CB 4.37Å
550	F	89.8	Confident	87.1	Confident	17 Å²	17	18.5 Å²	18.5	8%	0.075	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-53.9	176.6	179.2	-93.1	0	0	0	110.8	L359 V360 F546 I547 L548 S553 Q554 L577	L359-F550 HydrophobicContact CB-CZ 4.48Å; V360-F550 HydrophobicContact CG2-CE1 4.11Å; V360-F550 HydrophobicContact CG2-CZ 3.73Å; F546-F550 HydrophobicContact CE1-CB 4.29Å; F546-F550 HydrophobicContact CE1-CD2 4.37Å; F546-F550 HydrophobicContact CE1-CG 4.48Å; F546-F550 HydrophobicContact CZ-CB 4.4Å; F546-F550 HydrophobicContact CZ-CD2 4.1Å; F546-F550 WeakPolarHBondContact O-CB 3.44Å; F546-F550 PolarHBondContact O-N 3.45Å; I547-F550 PolarHBondContact O-N 3.16Å; L548-F550 VanDerWaalsContact C-N 3.3Å; L548-F550 PolarHBondContact O-N 3.06Å; F550-S553 PolarHBondContact O-N 3.3Å; F550-Q554 HydrophobicContact CD1-CG 4.41Å; F550-Q554 HydrophobicContact CD2-CG 3.99Å; F550-Q554 HydrophobicContact CE1-CG 4.32Å; F550-Q554 HydrophobicContact CE2-CG 3.89Å; F550-Q554 HydrophobicContact CG-CG 4.25Å; F550-Q554 HydrophobicContact CZ-CG 4.07Å; F550-Q554 WeakPolarHBondContact O-CB 3.49Å; F550-Q554 WeakPolarHBondContact O-CG 3.28Å; F550-Q554 PolarHBondContact O-N 3.48Å; F550-L577 HydrophobicContact CB-CD1 4.4Å; F550-L577 HydrophobicContact CD2-CD1 3.85Å; F550-L577 HydrophobicContact CD2-CD2 3.54Å; F550-L577 HydrophobicContact CD2-CG 4.36Å; F550-L577 HydrophobicContact CE2-CD2 3.74Å
551	M	82.6	Confident	86.7	Confident	5 Å²	5	14.7 Å²	14.7	3%	0.025	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-49.4	-178.6	-69.8	-62.6	-72.3	0	0	111.6	I363 I547 L548 S553 I555 L730	I363-M551 HydrophobicContact CD1-CE 3.7Å; I363-M551 HydrophobicContact CD1-SD 3.59Å; I363-M551 VanDerWaalsContact CD1-SD 3.59Å; I363-M551 HydrophobicContact CG1-CE 4.18Å; I363-M551 HydrophobicContact CG1-SD 4.47Å; I363-M551 HydrophobicContact CG2-CE 4.38Å; I547-M551 HydrophobicContact CG2-CG 4.18Å; I547-M551 WeakPolarHBondContact O-CB 3.43Å; I547-M551 VanDerWaalsContact O-CG 3.23Å; I547-M551 WeakPolarHBondContact O-CG 3.37Å; I547-M551 PolarHBondContact O-N 3.46Å; L548-M551 PolarHBondContact O-N 3.15Å; M551-S553 PolarHBondContact O-N 2.97Å; M551-I555 HydrophobicContact CE-CD1 4.2Å; M551-I555 VanDerWaalsContact O-CB 3.27Å; M551-I555 WeakPolarHBondContact O-CB 3.28Å; M551-I555 WeakPolarHBondContact O-CD1 3.17Å; M551-I555 WeakPolarHBondContact O-CG1 3.48Å; M551-I555 PolarHBondContact O-N 3.09Å; M551-I555 VanDerWaalsContact O-N 3.08Å; M551-L730 HydrophobicContact CE-CD2 3.98Å
552	E	83.5	Confident	86.1	Confident	13 Å²	13	15.7 Å²	15.7	6%	0.061	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-45.2	-179.6	-73.2	-169.6	149.7	0	0	112.3	S312 P314 F371 L548 T556 S596	S312-E552 WeakPolarHBondContact CB-OE1 3.28Å; S312-E552 WeakPolarHBondContact CB-OE2 3.4Å; S312-E552 VanDerWaalsContact OG-CD 3.32Å; S312-E552 PolarHBondContact OG-OE1 3.49Å; S312-E552 PolarHBondContact OG-OE2 3.37Å; P314-E552 WeakPolarHBondContact CD-OE1 3.42Å; P314-E552 WeakPolarHBondContact CG-OE1 3.44Å; F371-E552 HydrophobicContact CE1-CG 4.22Å; F371-E552 HydrophobicContact CZ-CG 4.17Å; L548-E552 PolarHBondContact O-N 3.09Å; E552-T556 WeakPolarHBondContact O-CB 3.29Å; E552-T556 PolarHBondContact O-N 3.41Å; E552-T556 PolarHBondContact O-OG1 3.36Å; E552-S596 WeakPolarHBondContact OE2-CB 3.36Å; E552-S596 PolarHBondContact OE2-OG 3.06Å
553	S	89.4	Confident	85.1	Confident	5 Å²	5	20.4 Å²	20.4	4%	0.035	11%	0.112	C	C	.	.	H	α-helix	trans	-74.1	-39.1	-173.9	-52.2	0	0	0	0	112.2	I549 F550 M551 T556 T557 A597	I549-S553 WeakPolarHBondContact O-CB 3.32Å; I549-S553 PolarHBondContact O-N 2.99Å; I549-S553 PolarHBondContact O-OG 2.86Å; F550-S553 PolarHBondContact O-N 3.3Å; M551-S553 PolarHBondContact O-N 2.97Å; S553-T556 PolarHBondContact O-N 3.29Å; S553-T557 WeakPolarHBondContact O-CB 3.45Å; S553-T557 PolarHBondContact O-N 3.43Å; S553-T557 PolarHBondContact O-OG1 2.95Å; S553-A597 PolarHBondContact OG-N 2.96Å
554	Q	87.9	Confident	84.2	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-70.6	-44.4	178.9	-65.4	-63.2	-32.5	0	0	111.8	V360 F550 T556 T557 L558 F573	V360-Q554 HydrophobicContact CB-CB 4.42Å; V360-Q554 HydrophobicContact CG1-CB 4.01Å; V360-Q554 HydrophobicContact CG2-CB 3.48Å; V360-Q554 VanDerWaalsContact CG2-CB 3.48Å; V360-Q554 HydrophobicContact CG2-CG 3.54Å; F550-Q554 HydrophobicContact CD1-CG 4.41Å; F550-Q554 HydrophobicContact CD2-CG 3.99Å; F550-Q554 HydrophobicContact CE1-CG 4.32Å; F550-Q554 HydrophobicContact CE2-CG 3.89Å; F550-Q554 HydrophobicContact CG-CG 4.25Å; F550-Q554 HydrophobicContact CZ-CG 4.07Å; F550-Q554 WeakPolarHBondContact O-CB 3.49Å; F550-Q554 WeakPolarHBondContact O-CG 3.28Å; F550-Q554 PolarHBondContact O-N 3.48Å; Q554-T556 VanDerWaalsContact C-N 3.3Å; Q554-T556 PolarHBondContact O-N 3.03Å; Q554-T557 PolarHBondContact O-N 3.19Å; Q554-L558 PolarHBondContact O-N 3.1Å; Q554-F573 PolarHBondContact NE2-O 3.09Å; Q554-F573 VanDerWaalsContact OE1-CD1 3.27Å
555	I	82.9	Confident	83.5	Confident	9 Å²	9	21.5 Å²	21.5	5%	0.046	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-42.6	174.8	-66.4	169.3	0	0	0	110.1	I363 Q368 M551 T557 L558 I559	I363-I555 HydrophobicContact CD1-CG1 4.33Å; I363-I555 HydrophobicContact CG2-CD1 4.08Å; I363-I555 HydrophobicContact CG2-CG1 4.04Å; Q368-I555 HydrophobicContact CG-CD1 4.32Å; Q368-I555 HydrophobicContact CG-CG1 4.41Å; Q368-I555 HydrophobicContact CG-CG2 4.11Å; M551-I555 HydrophobicContact CE-CD1 4.2Å; M551-I555 VanDerWaalsContact O-CB 3.27Å; M551-I555 WeakPolarHBondContact O-CB 3.28Å; M551-I555 WeakPolarHBondContact O-CD1 3.17Å; M551-I555 WeakPolarHBondContact O-CG1 3.48Å; M551-I555 PolarHBondContact O-N 3.09Å; M551-I555 VanDerWaalsContact O-N 3.08Å; I555-T557 VanDerWaalsContact C-N 3.34Å; I555-T557 PolarHBondContact O-N 2.92Å; I555-L558 WeakPolarHBondContact O-CB 3.48Å; I555-L558 PolarHBondContact O-N 3.42Å; I555-I559 HydrophobicContact CG2-CD1 3.66Å; I555-I559 HydrophobicContact CG2-CG1 4.33Å; I555-I559 VanDerWaalsContact O-CG1 3.28Å; I555-I559 WeakPolarHBondContact O-CG1 3.31Å; I555-I559 PolarHBondContact O-N 3.08Å
556	T	86.1	Confident	83	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-43.3	177.3	-60.6	0	0	0	0	111.8	L307 E552 S553 Q554 L558 I559 V560 A597 T599	L307-T556 HydrophobicContact CD2-CG2 3.66Å; E552-T556 WeakPolarHBondContact O-CB 3.29Å; E552-T556 PolarHBondContact O-N 3.41Å; E552-T556 PolarHBondContact O-OG1 3.36Å; S553-T556 PolarHBondContact O-N 3.29Å; Q554-T556 VanDerWaalsContact C-N 3.3Å; Q554-T556 PolarHBondContact O-N 3.03Å; T556-L558 PolarHBondContact O-N 3.38Å; T556-I559 PolarHBondContact O-N 2.72Å; T556-V560 HydrophobicContact CG2-CG2 4.44Å; T556-V560 WeakPolarHBondContact O-CG2 3.18Å; T556-V560 PolarHBondContact O-N 3.01Å; T556-A597 HydrophobicContact CG2-CB 4.21Å; T556-A597 PolarHBondContact OG1-O 2.97Å; T556-T599 HydrophobicContact CG2-CG2 4.43Å; T556-T599 WeakPolarHBondContact OG1-CA 3.41Å; T556-T599 WeakPolarHBondContact OG1-CB 3.45Å; T556-T599 PolarHBondContact OG1-OG1 3.28Å
557	T	87.7	Confident	82.5	Confident	3 Å²	3	28 Å²	28	2%	0.018	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-45.4	177.4	-54	0	0	0	0	110.7	L307 S553 Q554 I555 I559 V560 S561 F573	L307-T557 WeakPolarHBondContact CD1-OG1 3.34Å; S553-T557 WeakPolarHBondContact O-CB 3.45Å; S553-T557 PolarHBondContact O-N 3.43Å; S553-T557 PolarHBondContact O-OG1 2.95Å; Q554-T557 PolarHBondContact O-N 3.19Å; I555-T557 VanDerWaalsContact C-N 3.34Å; I555-T557 PolarHBondContact O-N 2.92Å; T557-I559 PolarHBondContact O-N 3.18Å; T557-V560 PolarHBondContact O-N 2.84Å; T557-S561 WeakPolarHBondContact O-CB 3.39Å; T557-S561 PolarHBondContact O-N 3.33Å; T557-S561 PolarHBondContact O-OG 2.64Å; T557-F573 HydrophobicContact CG2-CD1 3.64Å; T557-F573 HydrophobicContact CG2-CE1 3.47Å; T557-F573 VanDerWaalsContact CG2-CE1 3.47Å; T557-F573 HydrophobicContact CG2-CG 4.27Å; T557-F573 HydrophobicContact CG2-CZ 3.95Å
558	L	81.8	Confident	82	Confident	40 Å²	40	32.7 Å²	32.7	21%	0.209	17%	0.172	C	C	.	.	H	α-helix	trans	-57.7	-47.3	175.4	-79	178.8	0	0	0	112.8	L219 V360 Q554 I555 T556 V560 S561 K562 F573	L219-L558 HydrophobicContact CD1-CD2 4.12Å; V360-L558 HydrophobicContact CG1-CD1 3.33Å; V360-L558 HydrophobicContact CG1-CD2 4.18Å; V360-L558 HydrophobicContact CG1-CG 3.7Å; Q554-L558 PolarHBondContact O-N 3.1Å; I555-L558 WeakPolarHBondContact O-CB 3.48Å; I555-L558 PolarHBondContact O-N 3.42Å; T556-L558 PolarHBondContact O-N 3.38Å; L558-V560 VanDerWaalsContact C-N 3.31Å; L558-V560 PolarHBondContact O-N 3.24Å; L558-S561 PolarHBondContact O-N 3.2Å; L558-K562 WeakPolarHBondContact O-CG 3.38Å; L558-K562 PolarHBondContact O-N 3.28Å; L558-F573 HydrophobicContact CD2-CE1 3.75Å; L558-F573 HydrophobicContact CD2-CZ 3.86Å; L558-F573 HydrophobicContact CG-CE1 3.93Å; L558-F573 HydrophobicContact CG-CZ 4.49Å
559	I	79.8	Confident	81.7	Confident	38 Å²	38	32.9 Å²	32.9	20%	0.195	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-37.7	-178.5	-67.4	167.7	0	0	0	110.9	I555 T556 T557 T599 V603	I555-I559 HydrophobicContact CG2-CD1 3.66Å; I555-I559 HydrophobicContact CG2-CG1 4.33Å; I555-I559 VanDerWaalsContact O-CG1 3.28Å; I555-I559 WeakPolarHBondContact O-CG1 3.31Å; I555-I559 PolarHBondContact O-N 3.08Å; T556-I559 PolarHBondContact O-N 2.72Å; T557-I559 PolarHBondContact O-N 3.18Å; I559-T599 HydrophobicContact CD1-CG2 3.73Å; I559-V603 HydrophobicContact CG2-CG2 3.56Å
560	V	82.1	Confident	80.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-73.3	-38.7	178.3	173.4	0	0	0	0	111.2	V306 L307 T556 T557 L558 K562 R565 M567 V603 A606	V306-V560 HydrophobicContact CG1-CG1 4.2Å; L307-V560 HydrophobicContact CD2-CB 4.42Å; L307-V560 HydrophobicContact CD2-CG2 4.11Å; T556-V560 HydrophobicContact CG2-CG2 4.44Å; T556-V560 WeakPolarHBondContact O-CG2 3.18Å; T556-V560 PolarHBondContact O-N 3.01Å; T557-V560 PolarHBondContact O-N 2.84Å; L558-V560 VanDerWaalsContact C-N 3.31Å; L558-V560 PolarHBondContact O-N 3.24Å; V560-K562 VanDerWaalsContact C-N 3.29Å; V560-K562 PolarHBondContact O-N 2.87Å; V560-R565 WeakPolarHBondContact O-CD 3.38Å; V560-M567 HydrophobicContact CG1-CE 4.21Å; V560-M567 HydrophobicContact CG1-SD 4.21Å; V560-V603 HydrophobicContact CG2-CG2 4.32Å; V560-A606 HydrophobicContact CG1-CB 4.27Å
561	S	81.6	Confident	80.5	Confident	31 Å²	31	32.7 Å²	32.7	22%	0.217	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	18	-177.4	70.8	0	0	0	0	114.5	T557 L558 S571	T557-S561 WeakPolarHBondContact O-CB 3.39Å; T557-S561 PolarHBondContact O-N 3.33Å; T557-S561 PolarHBondContact O-OG 2.64Å; L558-S561 PolarHBondContact O-N 3.2Å; S561-S571 WeakPolarHBondContact CB-OG 3.3Å
562	K	77.4	Confident	80.5	Confident	45 Å²	45	32.5 Å²	32.5	20%	0.196	17%	0.174	C	C	.	.			trans	-57.4	139.8	178.7	-76.2	-162.4	177.2	-158.4	0	111.5	L558 V560 E564 R565 D756	L558-K562 WeakPolarHBondContact O-CG 3.38Å; L558-K562 PolarHBondContact O-N 3.28Å; V560-K562 VanDerWaalsContact C-N 3.29Å; V560-K562 PolarHBondContact O-N 2.87Å; K562-E564 VanDerWaalsContact CD-OE2 3.22Å; K562-E564 WeakPolarHBondContact CD-OE2 3.38Å; K562-E564 PolarHBondContact O-N 2.87Å; K562-E564 VanDerWaalsContact O-N 3.12Å; K562-R565 PolarHBondContact O-N 2.95Å; K562-D756 PolarHBondContact NZ-O 2.67Å
563	P	70.3	Confident	80.8	Confident	100 Å²	100	32 Å²	32	65%	0.649	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-60.9	-26.4	-178.8	24.4	-33.5	0	0	0	112.7	R565 K566	P563-R565 PolarHBondContact O-N 2.82Å; P563-R565 VanDerWaalsContact O-N 3.16Å; P563-K566 PolarHBondContact O-N 3.3Å; P563-K566 VanDerWaalsContact O-N 3.09Å
564	E	72.3	Confident	80.9	Confident	76 Å²	76	32 Å²	32	36%	0.355	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-56.5	-27.6	175.6	-58.6	162.3	148.4	0	0	113.2	K562 A758	K562-E564 VanDerWaalsContact CD-OE2 3.22Å; K562-E564 WeakPolarHBondContact CD-OE2 3.38Å; K562-E564 PolarHBondContact O-N 2.87Å; K562-E564 VanDerWaalsContact O-N 3.12Å; E564-A758 PolarHBondContact OE1-N 3.4Å
565	R	72.9	Confident	81.1	Confident	26 Å²	26	33.6 Å²	33.6	10%	0.098	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-86.2	-6.1	-178.7	-64.4	-174	-178.5	-169	1	113.8	V560 K562 P563 M567 V623	V560-R565 WeakPolarHBondContact O-CD 3.38Å; K562-R565 PolarHBondContact O-N 2.95Å; P563-R565 PolarHBondContact O-N 2.82Å; P563-R565 VanDerWaalsContact O-N 3.16Å; R565-M567 VanDerWaalsContact C-N 3.28Å; R565-M567 HydrophobicContact CB-CG 4.22Å; R565-M567 PolarHBondContact O-N 3.47Å; R565-V623 HydrophobicContact CB-CG2 4.24Å; R565-V623 WeakPolarHBondContact O-CG2 3.4Å
566	K	79.3	Confident	81.5	Confident	110 Å²	110	33.5 Å²	33.5	48%	0.478	18%	0.177	S	C	.	.			trans	51.3	42.7	178.6	-57.9	178.4	178.4	171.6	0	113.5	P563 I620 E621	P563-K566 PolarHBondContact O-N 3.3Å; P563-K566 VanDerWaalsContact O-N 3.09Å; K566-I620 WeakPolarHBondContact CD-O 3.27Å; K566-I620 WeakPolarHBondContact CE-O 3.2Å; K566-I620 PolarHBondContact NZ-O 3.47Å; K566-E621 WeakPolarHBondContact CD-O 3.38Å
567	M	81.2	Confident	81.9	Confident	37 Å²	37	33.6 Å²	33.6	18%	0.182	18%	0.178	C	C	.	.			trans	-72.2	140.5	172.3	-61.2	-176.1	104.9	0	0	110	V306 V560 R565 V623 E625	V306-M567 HydrophobicContact CG2-CE 4.06Å; V560-M567 HydrophobicContact CG1-CE 4.21Å; V560-M567 HydrophobicContact CG1-SD 4.21Å; R565-M567 VanDerWaalsContact C-N 3.28Å; R565-M567 HydrophobicContact CB-CG 4.22Å; R565-M567 PolarHBondContact O-N 3.47Å; M567-V623 HydrophobicContact CE-CB 4.49Å; M567-V623 HydrophobicContact CE-CG1 4.07Å; M567-V623 HydrophobicContact CG-CB 4.27Å; M567-V623 HydrophobicContact CG-CG2 4.39Å; M567-E625 HydrophobicContact CE-CG 3.91Å
568	V	76.4	Confident	82.2	Confident	115 Å²	115	34.9 Å²	34.9	70%	0.697	19%	0.185	S	C	*	.			trans	-110.4	-36.5	-165.8	-176.1	0	0	0	0	111.7	G570 E625	V568-G570 VanDerWaalsContact C-N 3.29Å; V568-G570 PolarHBondContact O-N 2.82Å; V568-E625 PolarHBondContact N-OE2 3.16Å
569	K	81.3	Confident	82.8	Confident	16 Å²	16	33.9 Å²	33.9	7%	0.07	18%	0.18	C	C	.	.	S	Bend	trans	-83.2	-4.1	-171.5	-59.4	-179.3	-176.4	177.9	0	114.2	H239 S242 D243 D246 E625	H239-K569 HydrophobicContact CB-CB 4.22Å; H239-K569 HydrophobicContact CB-CD 3.97Å; H239-K569 HydrophobicContact CB-CG 4.07Å; S242-K569 PolarHBondContact OG-NZ 2.95Å; D243-K569 VanDerWaalsContact OD1-CD 3.24Å; D243-K569 WeakPolarHBondContact OD1-CD 3.32Å; D243-K569 IonicContact OD1-NZ 3.71Å; D243-K569 PolarHBondContact OD1-NZ 2.99Å; D246-K569 VanDerWaalsContact OD2-CE 3.23Å; D246-K569 WeakPolarHBondContact OD2-CE 3.5Å; D246-K569 IonicContact OD2-NZ 3.88Å; D246-K569 PolarHBondContact OD2-NZ 3.49Å; K569-E625 WeakPolarHBondContact CB-OE2 3.44Å; K569-E625 HydrophobicContact CD-CB 3.78Å; K569-E625 HydrophobicContact CG-CB 4.4Å; K569-E625 WeakPolarHBondContact CG-OE2 3.47Å; K569-E625 PolarHBondContact N-OE2 3.37Å; K569-E625 PolarHBondContact NZ-O 3.28Å
570	G	73.1	Confident	83.5	Confident	7 Å²	7	32.2 Å²	32.2	7%	0.072	17%	0.171	C	C	.	.			trans	77.2	154.2	175.3	0	0	0	0	0	115.7	R236 V568	R236-G570 PolarHBondContact NH1-O 3.38Å; R236-G570 VanDerWaalsContact NH1-O 3.13Å; V568-G570 VanDerWaalsContact C-N 3.29Å; V568-G570 PolarHBondContact O-N 2.82Å
571	S	80.3	Confident	84.1	Confident	9 Å²	9	32.3 Å²	32.3	6%	0.063	17%	0.171	C	C	.	.			trans	-101.7	154.9	174.8	51.6	0	0	0	0	111.2	S561 F573	S561-S571 WeakPolarHBondContact CB-OG 3.3Å; S571-F573 VanDerWaalsContact OG-CE2 3.28Å; S571-F573 WeakPolarHBondContact OG-CE2 3.37Å
572	G	84.4	Confident	84.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.			trans	-123.1	120.8	170.3	0	0	0	0	0	110.6	D232 D576	D232-G572 WeakPolarHBondContact OD2-CA 3.2Å; G572-D576 WeakPolarHBondContact O-CB 3.38Å; G572-D576 VanDerWaalsContact O-CG 3.22Å; G572-D576 VanDerWaalsContact O-OD2 3.13Å
573	F	88.6	Confident	85.5	Confident	3 Å²	3	31.3 Å²	31.3	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-93.5	-33	-174.6	-69	-92.4	0	0	0	112.4	P218 L219 D232 Q554 T557 L558 S571 L577	P218-F573 HydrophobicContact CB-CD2 4.17Å; P218-F573 HydrophobicContact CB-CE2 4.1Å; P218-F573 HydrophobicContact CG-CD2 4.36Å; P218-F573 HydrophobicContact CG-CE2 3.82Å; L219-F573 HydrophobicContact CD1-CE2 4.38Å; L219-F573 HydrophobicContact CD1-CZ 4.37Å; L219-F573 HydrophobicContact CD2-CB 4.26Å; L219-F573 HydrophobicContact CD2-CD1 4.23Å; L219-F573 HydrophobicContact CD2-CD2 4.12Å; L219-F573 HydrophobicContact CD2-CG 3.95Å; L219-F573 HydrophobicContact CG-CD2 4.17Å; L219-F573 HydrophobicContact CG-CE2 4.25Å; L219-F573 HydrophobicContact CG-CG 4.5Å; D232-F573 PolarHBondContact OD2-N 2.8Å; Q554-F573 PolarHBondContact NE2-O 3.09Å; Q554-F573 VanDerWaalsContact OE1-CD1 3.27Å; T557-F573 HydrophobicContact CG2-CD1 3.64Å; T557-F573 HydrophobicContact CG2-CE1 3.47Å; T557-F573 VanDerWaalsContact CG2-CE1 3.47Å; T557-F573 HydrophobicContact CG2-CG 4.27Å; T557-F573 HydrophobicContact CG2-CZ 3.95Å; L558-F573 HydrophobicContact CD2-CE1 3.75Å; L558-F573 HydrophobicContact CD2-CZ 3.86Å; L558-F573 HydrophobicContact CG-CE1 3.93Å; L558-F573 HydrophobicContact CG-CZ 4.49Å; S571-F573 VanDerWaalsContact OG-CE2 3.28Å; S571-F573 WeakPolarHBondContact OG-CE2 3.37Å; F573-L577 WeakPolarHBondContact O-CB 3.42Å
574	H	90.8	Very high	86.5	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.019	14%	0.137	C	C	.	.	H	α-helix	trans	-82.6	-45.5	-177.7	-61	87.5	0	0	0	110.8	M229 D232 V352 S357 L577 L578	M229-H574 HydrophobicContact CB-CB 4.21Å; D232-H574 WeakPolarHBondContact OD2-CB 3.38Å; D232-H574 IonicContact OD2-CG 3.91Å; D232-H574 PolarHBondContact OD2-N 2.96Å; D232-H574 IonicContact OD2-ND1 3.84Å; D232-H574 PolarHBondContact OD2-ND1 3.32Å; V352-H574 HydrophobicContact CG1-CB 4.48Å; S357-H574 WeakPolarHBondContact CB-NE2 3.4Å; S357-H574 PolarHBondContact OG-CD2 3.36Å; H574-L577 PolarHBondContact O-N 2.97Å; H574-L578 PolarHBondContact O-N 3.21Å; H574-L578 VanDerWaalsContact O-N 3.09Å
575	F	92.3	Very high	87.5	Confident	36 Å²	36	23 Å²	23	16%	0.158	12%	0.12	C	C	.	.	H	α-helix	trans	-68.6	-41.7	-176.8	-174.4	-111.7	0	0	0	112.4	M229 D232 I233 I301 A303 L577 L578 L579	M229-F575 HydrophobicContact CG-CB 4.27Å; M229-F575 HydrophobicContact CG-CD2 3.93Å; M229-F575 HydrophobicContact SD-CD2 4.39Å; D232-F575 HydrophobicContact CB-CB 4.06Å; D232-F575 PolarHBondContact OD2-N 2.75Å; I233-F575 HydrophobicContact CD1-CD2 3.6Å; I233-F575 HydrophobicContact CD1-CE2 3.67Å; I233-F575 HydrophobicContact CD1-CG 4.31Å; I233-F575 HydrophobicContact CD1-CZ 4.42Å; I233-F575 HydrophobicContact CG1-CB 4.35Å; I233-F575 HydrophobicContact CG1-CD1 4.29Å; I233-F575 HydrophobicContact CG1-CD2 3.64Å; I233-F575 HydrophobicContact CG1-CE2 3.91Å; I233-F575 HydrophobicContact CG1-CG 3.83Å; I233-F575 HydrophobicContact CG1-CZ 4.33Å; I301-F575 HydrophobicContact CG2-CE1 3.68Å; I301-F575 HydrophobicContact CG2-CZ 3.51Å; I301-F575 WeakPolarHBondContact O-CE1 3.26Å; A303-F575 HydrophobicContact CB-CD1 4.27Å; F575-L577 VanDerWaalsContact C-N 3.31Å; F575-L577 PolarHBondContact O-N 3.18Å; F575-L578 PolarHBondContact O-N 2.7Å; F575-L579 WeakPolarHBondContact O-CB 3.44Å; F575-L579 PolarHBondContact O-N 2.69Å
576	D	92.8	Very high	88.4	Confident	7 Å²	7	26 Å²	26	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-35.5	178.3	-71.5	-4.8	0	0	0	111.9	F298 A302 A303 Q304 G572 L580	F298-D576 HydrophobicContact CE2-CB 4.22Å; F298-D576 HydrophobicContact CZ-CB 4.32Å; A302-D576 WeakPolarHBondContact CA-OD1 3.45Å; A303-D576 WeakPolarHBondContact CA-OD1 3.49Å; A303-D576 VanDerWaalsContact CB-OD1 3.31Å; A303-D576 WeakPolarHBondContact CB-OD1 3.2Å; A303-D576 PolarHBondContact N-OD1 3.31Å; Q304-D576 WeakPolarHBondContact CB-OD2 3.45Å; Q304-D576 PolarHBondContact N-OD2 2.93Å; G572-D576 WeakPolarHBondContact O-CB 3.38Å; G572-D576 VanDerWaalsContact O-CG 3.22Å; G572-D576 VanDerWaalsContact O-OD2 3.13Å; D576-L580 WeakPolarHBondContact O-CB 3.48Å; D576-L580 PolarHBondContact O-N 3.35Å
577	L	92.9	Very high	88.9	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-48.3	173.9	179.9	67.2	0	0	0	111.8	V348 V352 F546 F550 F573 H574 F575 L579 V581	V348-L577 HydrophobicContact CG2-CD2 4.5Å; V348-L577 HydrophobicContact CG2-CG 4.04Å; V352-L577 HydrophobicContact CG2-CD2 4.19Å; F546-L577 HydrophobicContact CZ-CD2 4.43Å; F550-L577 HydrophobicContact CB-CD1 4.4Å; F550-L577 HydrophobicContact CD2-CD1 3.85Å; F550-L577 HydrophobicContact CD2-CD2 3.54Å; F550-L577 HydrophobicContact CD2-CG 4.36Å; F550-L577 HydrophobicContact CE2-CD2 3.74Å; F573-L577 WeakPolarHBondContact O-CB 3.42Å; H574-L577 PolarHBondContact O-N 2.97Å; F575-L577 VanDerWaalsContact C-N 3.31Å; F575-L577 PolarHBondContact O-N 3.18Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 3.49Å; L577-V581 HydrophobicContact CD1-CG2 3.98Å; L577-V581 WeakPolarHBondContact O-CG2 3.44Å; L577-V581 PolarHBondContact O-N 3.19Å
578	L	94.8	Very high	89.4	Confident	31 Å²	31	19.3 Å²	19.3	16%	0.162	11%	0.108	C	C	.	.	H	α-helix	trans	-57.8	-49.7	177.9	-177.7	63.2	0	0	0	110.5	M229 V348 I349 V352 H574 F575 T582	M229-L578 HydrophobicContact SD-CD2 3.49Å; M229-L578 WeakPolarHBondContact SD-CD2 3.42Å; V348-L578 HydrophobicContact CG1-CD1 4.01Å; V348-L578 HydrophobicContact CG2-CD1 4.19Å; I349-L578 HydrophobicContact CG1-CD1 4.2Å; V352-L578 HydrophobicContact CG2-CB 4.11Å; V352-L578 HydrophobicContact CG2-CD1 4.49Å; H574-L578 PolarHBondContact O-N 3.21Å; H574-L578 VanDerWaalsContact O-N 3.09Å; F575-L578 PolarHBondContact O-N 2.7Å; L578-T582 WeakPolarHBondContact O-CB 3.21Å; L578-T582 PolarHBondContact O-N 3.31Å; L578-T582 PolarHBondContact O-OG1 3.19Å
579	L	94.3	Very high	90.1	Very high	19 Å²	19	16.9 Å²	16.9	10%	0.099	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-52.5	-178.2	-177.3	63	0	0	0	111	F298 I301 A302 F575 L577 T582 M583	F298-L579 HydrophobicContact CD2-CD2 3.61Å; F298-L579 HydrophobicContact CD2-CG 4.05Å; F298-L579 HydrophobicContact CE2-CD2 4.15Å; F298-L579 HydrophobicContact CG-CD2 4.34Å; I301-L579 HydrophobicContact CB-CD1 4.21Å; I301-L579 HydrophobicContact CB-CD2 3.84Å; I301-L579 HydrophobicContact CD1-CD1 4.33Å; I301-L579 HydrophobicContact CG2-CD1 3.98Å; I301-L579 HydrophobicContact CG2-CD2 3.92Å; A302-L579 HydrophobicContact CB-CD2 4.01Å; F575-L579 WeakPolarHBondContact O-CB 3.44Å; F575-L579 PolarHBondContact O-N 2.69Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 3.49Å; L579-T582 PolarHBondContact O-N 3.07Å; L579-M583 HydrophobicContact CD1-CG 4.28Å; L579-M583 HydrophobicContact CD1-SD 3.55Å; L579-M583 VanDerWaalsContact CD1-SD 3.55Å; L579-M583 HydrophobicContact CG-SD 3.64Å; L579-M583 WeakPolarHBondContact O-CB 3.47Å; L579-M583 WeakPolarHBondContact O-CG 3.44Å; L579-M583 PolarHBondContact O-N 3.04Å
580	L	93.8	Very high	90.6	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-47.3	-175.1	-173.5	158.3	0	0	0	112.1	F298 I309 I549 D576 M583 G584 L595 A597	F298-L580 HydrophobicContact CE2-CB 4.4Å; I309-L580 HydrophobicContact CD1-CD1 4.12Å; I309-L580 HydrophobicContact CD1-CG 4.32Å; I309-L580 HydrophobicContact CG1-CD1 4.24Å; I549-L580 HydrophobicContact CG2-CD2 3.24Å; D576-L580 WeakPolarHBondContact O-CB 3.48Å; D576-L580 PolarHBondContact O-N 3.35Å; L580-M583 PolarHBondContact O-N 2.94Å; L580-G584 PolarHBondContact O-N 3.03Å; L580-L595 VanDerWaalsContact CD2-O 3.24Å; L580-L595 WeakPolarHBondContact CD2-O 3.31Å; L580-A597 HydrophobicContact CD1-CB 4.24Å
581	V	95	Very high	91.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-70.9	-37.8	-179.7	-179.7	0	0	0	0	111.4	L344 V348 F546 I549 L577 M583 G584 G585	L344-V581 HydrophobicContact CB-CG1 3.9Å; L344-V581 HydrophobicContact CD2-CG1 4.49Å; V348-V581 HydrophobicContact CB-CB 3.86Å; V348-V581 HydrophobicContact CB-CG1 3.74Å; V348-V581 HydrophobicContact CB-CG2 4.39Å; V348-V581 HydrophobicContact CG1-CB 3.94Å; V348-V581 HydrophobicContact CG1-CG1 3.79Å; V348-V581 HydrophobicContact CG2-CB 3.91Å; V348-V581 HydrophobicContact CG2-CG1 4.35Å; V348-V581 HydrophobicContact CG2-CG2 4.16Å; F546-V581 HydrophobicContact CD2-CG1 4.24Å; F546-V581 HydrophobicContact CD2-CG2 4.26Å; F546-V581 HydrophobicContact CE2-CG2 4.25Å; I549-V581 HydrophobicContact CG2-CG2 3.77Å; L577-V581 HydrophobicContact CD1-CG2 3.98Å; L577-V581 WeakPolarHBondContact O-CG2 3.44Å; L577-V581 PolarHBondContact O-N 3.19Å; V581-M583 VanDerWaalsContact C-N 3.34Å; V581-M583 PolarHBondContact O-N 2.93Å; V581-G584 PolarHBondContact O-N 3.36Å; V581-G585 PolarHBondContact O-N 3.4Å
582	T	94.8	Very high	91.8	Very high	37 Å²	37	20.3 Å²	20.3	23%	0.227	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-42.6	177.3	-56.9	0	0	0	0	110.9	L578 L579 G585 I586	L578-T582 WeakPolarHBondContact O-CB 3.21Å; L578-T582 PolarHBondContact O-N 3.31Å; L578-T582 PolarHBondContact O-OG1 3.19Å; L579-T582 PolarHBondContact O-N 3.07Å; T582-G585 PolarHBondContact O-N 3.22Å; T582-I586 HydrophobicContact CG2-CD1 4.06Å; T582-I586 WeakPolarHBondContact O-CG1 3.41Å; T582-I586 PolarHBondContact O-N 3.28Å
583	M	94.3	Very high	92.1	Very high	18 Å²	18	20.3 Å²	20.3	9%	0.089	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-42.3	175.5	-71.4	169.6	60	0	0	112	Q294 I297 F298 L579 L580 V581 I586 S587	Q294-M583 HydrophobicContact CB-CE 3.7Å; Q294-M583 HydrophobicContact CG-CE 4.06Å; Q294-M583 WeakPolarHBondContact O-CE 3.27Å; I297-M583 HydrophobicContact CB-CE 3.49Å; I297-M583 VanDerWaalsContact CB-CE 3.49Å; I297-M583 HydrophobicContact CB-SD 4.2Å; I297-M583 HydrophobicContact CD1-CE 4.45Å; I297-M583 HydrophobicContact CG2-CE 3.55Å; I297-M583 HydrophobicContact CG2-CG 4.4Å; I297-M583 HydrophobicContact CG2-SD 3.58Å; I297-M583 VanDerWaalsContact CG2-SD 3.58Å; F298-M583 HydrophobicContact CB-CE 4.32Å; L579-M583 HydrophobicContact CD1-CG 4.28Å; L579-M583 HydrophobicContact CD1-SD 3.55Å; L579-M583 VanDerWaalsContact CD1-SD 3.55Å; L579-M583 HydrophobicContact CG-SD 3.64Å; L579-M583 WeakPolarHBondContact O-CB 3.47Å; L579-M583 WeakPolarHBondContact O-CG 3.44Å; L579-M583 PolarHBondContact O-N 3.04Å; L580-M583 PolarHBondContact O-N 2.94Å; V581-M583 VanDerWaalsContact C-N 3.34Å; V581-M583 PolarHBondContact O-N 2.93Å; M583-I586 PolarHBondContact O-N 3.05Å; M583-S587 VanDerWaalsContact O-CB 3.28Å; M583-S587 WeakPolarHBondContact O-CB 3.43Å; M583-S587 PolarHBondContact O-N 3.35Å
584	G	91.5	Very high	92.3	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-62.4	-39.6	172.4	0	0	0	0	0	113.1	L580 V581 S587 S588	L580-G584 PolarHBondContact O-N 3.03Å; V581-G584 PolarHBondContact O-N 3.36Å; G584-S587 PolarHBondContact O-N 3.23Å; G584-S587 PolarHBondContact O-OG 3.27Å; G584-S588 PolarHBondContact O-N 2.98Å; G584-S588 PolarHBondContact O-OG 2.88Å
585	G	92.6	Very high	92.5	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-58.9	-50.7	174.1	0	0	0	0	0	111.9	G341 V581 T582 S587 S588	G341-G585 WeakPolarHBondContact O-CA 3.17Å; V581-G585 PolarHBondContact O-N 3.4Å; T582-G585 PolarHBondContact O-N 3.22Å; G585-S587 VanDerWaalsContact C-N 3.31Å; G585-S587 PolarHBondContact O-N 3.45Å; G585-S588 WeakPolarHBondContact O-CB 3.2Å; G585-S588 PolarHBondContact O-N 3.18Å; G585-S588 VanDerWaalsContact O-N 3.16Å; G585-S588 PolarHBondContact O-OG 2.98Å; G585-S588 VanDerWaalsContact O-OG 3.13Å
586	I	91.9	Very high	92.5	Very high	88 Å²	88	18.3 Å²	18.3	45%	0.451	9%	0.094	S	C	.	.	H	α-helix	trans	-62.3	-39.2	176.5	-65.2	166.4	0	0	0	111.1	T582 M583 S588 I589 F590	T582-I586 HydrophobicContact CG2-CD1 4.06Å; T582-I586 WeakPolarHBondContact O-CG1 3.41Å; T582-I586 PolarHBondContact O-N 3.28Å; M583-I586 PolarHBondContact O-N 3.05Å; I586-S588 PolarHBondContact O-N 3.29Å; I586-I589 WeakPolarHBondContact O-CB 3.2Å; I586-I589 PolarHBondContact O-N 3.24Å; I586-I589 VanDerWaalsContact O-N 3.1Å; I586-F590 HydrophobicContact CG2-CE2 4.12Å
587	S	91.3	Very high	92.4	Very high	7 Å²	7	18 Å²	18	5%	0.049	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-22.8	179.2	90.9	0	0	0	0	113.1	Q294 M583 G584 G585 I589 F590 G591 V592	Q294-S587 PolarHBondContact NE2-OG 3.04Å; Q294-S587 VanDerWaalsContact NE2-OG 3.1Å; M583-S587 VanDerWaalsContact O-CB 3.28Å; M583-S587 WeakPolarHBondContact O-CB 3.43Å; M583-S587 PolarHBondContact O-N 3.35Å; G584-S587 PolarHBondContact O-N 3.23Å; G584-S587 PolarHBondContact O-OG 3.27Å; G585-S587 VanDerWaalsContact C-N 3.31Å; G585-S587 PolarHBondContact O-N 3.45Å; S587-I589 VanDerWaalsContact C-N 3.26Å; S587-I589 PolarHBondContact O-N 3.33Å; S587-F590 PolarHBondContact O-N 3.41Å; S587-G591 PolarHBondContact O-N 3.4Å; S587-V592 VanDerWaalsContact CB-CG2 3.44Å; S587-V592 VanDerWaalsContact O-CG2 3.31Å; S587-V592 WeakPolarHBondContact O-CG2 3.1Å; S587-V592 PolarHBondContact O-N 3.12Å
588	S	91.2	Very high	92.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-32	175.9	-49	0	0	0	0	112.3	I338 G341 G584 G585 I586 F590 G591 W594	I338-S588 WeakPolarHBondContact CG1-O 3.18Å; G341-S588 WeakPolarHBondContact CA-OG 3.27Å; G584-S588 PolarHBondContact O-N 2.98Å; G584-S588 PolarHBondContact O-OG 2.88Å; G585-S588 WeakPolarHBondContact O-CB 3.2Å; G585-S588 PolarHBondContact O-N 3.18Å; G585-S588 VanDerWaalsContact O-N 3.16Å; G585-S588 PolarHBondContact O-OG 2.98Å; G585-S588 VanDerWaalsContact O-OG 3.13Å; I586-S588 PolarHBondContact O-N 3.29Å; S588-F590 PolarHBondContact O-N 3.47Å; S588-G591 PolarHBondContact O-N 3.4Å; S588-G591 VanDerWaalsContact O-N 3.09Å; S588-W594 PolarHBondContact OG-NE1 3.11Å
589	I	91.3	Very high	91.4	Very high	64 Å²	64	19.3 Å²	19.3	33%	0.328	10%	0.104	S	C	.	.	H	α-helix	trans	-63.8	-34.6	177	-58.5	172.3	0	0	0	110.7	I521 I586 S587 G591	I521-I589 PolarHBondContact N-O 3.08Å; I586-I589 WeakPolarHBondContact O-CB 3.2Å; I586-I589 PolarHBondContact O-N 3.24Å; I586-I589 VanDerWaalsContact O-N 3.1Å; S587-I589 VanDerWaalsContact C-N 3.26Å; S587-I589 PolarHBondContact O-N 3.33Å; I589-G591 VanDerWaalsContact C-N 3.27Å
590	F	90.4	Very high	90.4	Very high	95 Å²	95	23.4 Å²	23.4	42%	0.417	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.2	178.1	-60.3	-79.5	0	0	0	113.4	W519 I520 I586 S587 S588 V592	W519-F590 CarbonylContact O-C 3.53Å; W519-F590 WeakPolarHBondContact O-CA 3.4Å; I520-F590 HydrophobicContact CG1-CD1 4.49Å; I586-F590 HydrophobicContact CG2-CE2 4.12Å; S587-F590 PolarHBondContact O-N 3.41Å; S588-F590 PolarHBondContact O-N 3.47Å; F590-V592 HydrophobicContact CB-CG1 4.23Å; F590-V592 HydrophobicContact CB-CG2 4.4Å; F590-V592 PolarHBondContact O-N 2.79Å
591	G	87	Confident	89.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	27.5	-176.8	0	0	0	0	0	113.7	R517 S587 S588 I589	R517-G591 PolarHBondContact NH2-O 2.9Å; S587-G591 PolarHBondContact O-N 3.4Å; S588-G591 PolarHBondContact O-N 3.4Å; S588-G591 VanDerWaalsContact O-N 3.09Å; I589-G591 VanDerWaalsContact C-N 3.27Å
592	V	91.4	Very high	89.4	Confident	9 Å²	9	24.1 Å²	24.1	6%	0.055	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-100.8	153.7	176.6	-56.4	0	0	0	0	110.5	E286 R337 W519 S587 F590	E286-V592 HydrophobicContact CB-CG1 4.34Å; R337-V592 PolarHBondContact NE-O 3.39Å; W519-V592 HydrophobicContact CE3-CG1 4.18Å; W519-V592 HydrophobicContact CZ3-CG1 3.61Å; S587-V592 VanDerWaalsContact CB-CG2 3.44Å; S587-V592 VanDerWaalsContact O-CG2 3.31Å; S587-V592 WeakPolarHBondContact O-CG2 3.1Å; S587-V592 PolarHBondContact O-N 3.12Å; F590-V592 HydrophobicContact CB-CG1 4.23Å; F590-V592 HydrophobicContact CB-CG2 4.4Å; F590-V592 PolarHBondContact O-N 2.79Å
593	P	91.9	Very high	88.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-63	147	-174.7	20.2	-30.4	0	0	0	112.5	L274 M282 L287 S290 F311 R337	L274-P593 HydrophobicContact CD2-CB 4.36Å; L274-P593 HydrophobicContact CD2-CG 4.47Å; M282-P593 HydrophobicContact CE-CB 3.88Å; M282-P593 HydrophobicContact SD-CB 3.99Å; M282-P593 VanDerWaalsContact SD-CD 3.58Å; M282-P593 HydrophobicContact SD-CG 4.27Å; L287-P593 HydrophobicContact CB-CG 3.86Å; L287-P593 HydrophobicContact CD1-CB 4.33Å; L287-P593 HydrophobicContact CD1-CG 3.57Å; L287-P593 HydrophobicContact CG-CG 4.3Å; S290-P593 PolarHBondContact OG-O 3.24Å; F311-P593 HydrophobicContact CD2-CB 3.77Å; F311-P593 HydrophobicContact CE2-CB 3.61Å; R337-P593 VanDerWaalsContact NH2-CA 3.34Å
594	W	93.2	Very high	87.8	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-68.7	146.6	165.1	-50.1	-54.3	0	0	0	109	F311 L315 F318 E319 R337 V340 V545 I549 S588	F311-W594 WeakPolarHBondContact CD2-O 3.25Å; L315-W594 WeakPolarHBondContact CD1-O 3.42Å; F318-W594 HydrophobicContact CD1-CE3 4.38Å; F318-W594 HydrophobicContact CD1-CH2 4.24Å; F318-W594 AromaticContact CD1-CZ3 3.51Å; F318-W594 HydrophobicContact CD1-CZ3 3.51Å; F318-W594 HydrophobicContact CE1-CE3 4.46Å; F318-W594 AromaticContact CE1-CH2 3.58Å; F318-W594 HydrophobicContact CE1-CH2 3.58Å; F318-W594 AromaticContact CE1-CZ3 3.32Å; F318-W594 HydrophobicContact CE1-CZ3 3.32Å; F318-W594 HydrophobicContact CZ-CH2 4.49Å; F318-W594 HydrophobicContact CZ-CZ3 4.46Å; E319-W594 VanDerWaalsContact CD-CZ3 3.46Å; E319-W594 WeakPolarHBondContact OE1-CZ3 3.14Å; E319-W594 WeakPolarHBondContact OE2-CZ3 3.45Å; R337-W594 HydrophobicContact CB-CZ2 4.46Å; R337-W594 HydrophobicContact CG-CH2 3.79Å; R337-W594 HydrophobicContact CG-CZ2 3.37Å; R337-W594 VanDerWaalsContact NH2-CE2 3.29Å; R337-W594 VanDerWaalsContact NH2-CE3 3.28Å; V340-W594 HydrophobicContact CB-CH2 4.38Å; V340-W594 HydrophobicContact CB-CZ2 4.11Å; V340-W594 HydrophobicContact CG1-CH2 3.81Å; V340-W594 HydrophobicContact CG1-CZ2 3.68Å; V545-W594 HydrophobicContact CG1-CD2 4.27Å; V545-W594 HydrophobicContact CG1-CE3 4.03Å; V545-W594 HydrophobicContact CG2-CE3 4.41Å; V545-W594 HydrophobicContact CG2-CZ3 4.13Å; I549-W594 HydrophobicContact CD1-CB 4.37Å; S588-W594 PolarHBondContact OG-NE1 3.11Å
595	L	93.8	Very high	87.5	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.136	C	C	.	.			trans	-123.6	156.6	178.5	-50.6	177.4	0	0	0	109.7	L287 Q294 I309 F311 L580	L287-L595 HydrophobicContact CD1-CD2 3.57Å; Q294-L595 HydrophobicContact CB-CD1 3.96Å; Q294-L595 HydrophobicContact CG-CD1 4.28Å; I309-L595 HydrophobicContact CG2-CB 3.24Å; I309-L595 HydrophobicContact CG2-CD1 3.66Å; I309-L595 HydrophobicContact CG2-CG 4.09Å; F311-L595 HydrophobicContact CB-CD2 4.17Å; F311-L595 HydrophobicContact CD2-CD2 4.2Å; L580-L595 VanDerWaalsContact CD2-O 3.24Å; L580-L595 WeakPolarHBondContact CD2-O 3.31Å
596	S	92	Very high	87.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	167.9	173.7	65.9	0	0	0	0	110.6	I309 G310 S312 E552 A598	I309-S596 WeakPolarHBondContact CA-O 3.35Å; G310-S596 PolarHBondContact N-O 3.13Å; G310-S596 PolarHBondContact O-N 3.38Å; S312-S596 PolarHBondContact OG-OG 3.35Å; E552-S596 WeakPolarHBondContact OE2-CB 3.36Å; E552-S596 PolarHBondContact OE2-OG 3.06Å; S596-A598 PolarHBondContact O-N 3.42Å
597	A	91.1	Very high	86.4	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	118	173.6	0	0	0	0	0	109.1	L307 S553 T556 L580 T599	L307-A597 HydrophobicContact CD2-CB 4.49Å; S553-A597 PolarHBondContact OG-N 2.96Å; T556-A597 HydrophobicContact CG2-CB 4.21Å; T556-A597 PolarHBondContact OG1-O 2.97Å; L580-A597 HydrophobicContact CD1-CB 4.24Å; A597-T599 PolarHBondContact O-N 3.29Å
598	A	86.1	Confident	85.8	Confident	13 Å²	13	25.4 Å²	25.4	11%	0.107	14%	0.143	C	C	.	.			trans	-84.5	117	-173	0	0	0	0	0	110.8	V308 S596 R601 S602	V308-A598 PolarHBondContact O-N 3.46Å; S596-A598 PolarHBondContact O-N 3.42Å; A598-R601 HydrophobicContact CB-CB 4.14Å; A598-R601 HydrophobicContact CB-CG 4.43Å; A598-R601 VanDerWaalsContact CB-NH2 3.27Å; A598-R601 PolarHBondContact O-N 2.94Å; A598-S602 VanDerWaalsContact O-CB 3.26Å; A598-S602 WeakPolarHBondContact O-CB 3.45Å; A598-S602 PolarHBondContact O-N 3.3Å; A598-S602 PolarHBondContact O-OG 3.3Å
599	T	80.8	Confident	85.5	Confident	47 Å²	47	25.4 Å²	25.4	29%	0.288	14%	0.143	S	C	.	.	H	α-helix	trans	-60.5	-55.4	-169.9	-42.9	0	0	0	0	113.2	T556 I559 A597 R601 S602 V603	T556-T599 HydrophobicContact CG2-CG2 4.43Å; T556-T599 WeakPolarHBondContact OG1-CA 3.41Å; T556-T599 WeakPolarHBondContact OG1-CB 3.45Å; T556-T599 PolarHBondContact OG1-OG1 3.28Å; I559-T599 HydrophobicContact CD1-CG2 3.73Å; A597-T599 PolarHBondContact O-N 3.29Å; T599-R601 VanDerWaalsContact C-N 3.34Å; T599-R601 PolarHBondContact O-N 3.18Å; T599-S602 PolarHBondContact O-N 3.01Å; T599-V603 WeakPolarHBondContact O-CB 3.35Å; T599-V603 VanDerWaalsContact O-CG2 3.3Å; T599-V603 WeakPolarHBondContact O-CG2 3.45Å; T599-V603 PolarHBondContact O-N 3.5Å
600	V	73.6	Confident	85.1	Confident	105 Å²	105	23 Å²	23	64%	0.636	13%	0.131	S	C	*	.	H	α-helix	trans	-61.9	-43.9	-176.3	-179.3	0	0	0	0	110.9	V603 T604	V600-V603 PolarHBondContact O-N 2.91Å; V600-T604 WeakPolarHBondContact O-CG2 3.34Å; V600-T604 PolarHBondContact O-N 3.37Å; V600-T604 PolarHBondContact O-OG1 3.46Å; V600-T604 VanDerWaalsContact O-OG1 3.11Å
601	R	81.4	Confident	84.6	Confident	19 Å²	19	20.1 Å²	20.1	7%	0.072	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-42.1	179.4	-69.7	-174.9	-76.3	176.7	-10.5	112.4	A262 V308 G310 F311 A598 T599 V603 T604 H605	A262-R601 WeakPolarHBondContact O-CD 3.36Å; V308-R601 HydrophobicContact CB-CB 4.1Å; V308-R601 HydrophobicContact CG1-CB 4.22Å; G310-R601 VanDerWaalsContact C-NH2 3.34Å; F311-R601 PolarHBondContact O-NH2 3.26Å; A598-R601 HydrophobicContact CB-CB 4.14Å; A598-R601 HydrophobicContact CB-CG 4.43Å; A598-R601 VanDerWaalsContact CB-NH2 3.27Å; A598-R601 PolarHBondContact O-N 2.94Å; T599-R601 VanDerWaalsContact C-N 3.34Å; T599-R601 PolarHBondContact O-N 3.18Å; R601-V603 VanDerWaalsContact C-N 3.33Å; R601-V603 PolarHBondContact O-N 3.2Å; R601-T604 WeakPolarHBondContact CA-OG1 3.44Å; R601-T604 PolarHBondContact O-N 3.46Å; R601-T604 PolarHBondContact O-OG1 3.18Å; R601-H605 WeakPolarHBondContact O-CB 3.48Å; R601-H605 PolarHBondContact O-N 2.97Å
602	S	86.8	Confident	84.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-36.5	178.3	-57.1	0	0	0	0	111.5	V308 A598 T599 A606	V308-S602 PolarHBondContact N-OG 3.4Å; V308-S602 PolarHBondContact O-OG 3.26Å; A598-S602 VanDerWaalsContact O-CB 3.26Å; A598-S602 WeakPolarHBondContact O-CB 3.45Å; A598-S602 PolarHBondContact O-N 3.3Å; A598-S602 PolarHBondContact O-OG 3.3Å; T599-S602 PolarHBondContact O-N 3.01Å; S602-A606 WeakPolarHBondContact O-CB 3.47Å; S602-A606 PolarHBondContact O-N 3.42Å
603	V	79.6	Confident	83.3	Confident	29 Å²	29	26.3 Å²	26.3	18%	0.176	16%	0.156	C	C	.	.	H	α-helix	trans	-69.1	-45.3	175.5	167.3	0	0	0	0	111.8	I559 V560 T599 V600 R601 H605 A606 N607	I559-V603 HydrophobicContact CG2-CG2 3.56Å; V560-V603 HydrophobicContact CG2-CG2 4.32Å; T599-V603 WeakPolarHBondContact O-CB 3.35Å; T599-V603 VanDerWaalsContact O-CG2 3.3Å; T599-V603 WeakPolarHBondContact O-CG2 3.45Å; T599-V603 PolarHBondContact O-N 3.5Å; V600-V603 PolarHBondContact O-N 2.91Å; R601-V603 VanDerWaalsContact C-N 3.33Å; R601-V603 PolarHBondContact O-N 3.2Å; V603-H605 VanDerWaalsContact C-N 3.3Å; V603-H605 PolarHBondContact O-N 2.95Å; V603-A606 PolarHBondContact O-N 3.04Å; V603-N607 WeakPolarHBondContact O-CB 3.38Å; V603-N607 PolarHBondContact O-N 2.9Å; V603-N607 PolarHBondContact O-ND2 2.92Å
604	T	74.6	Confident	82.1	Confident	40 Å²	40	36.6 Å²	36.6	25%	0.245	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-35.6	176.8	53.7	0	0	0	0	111.7	V600 R601 N607 A608	V600-T604 WeakPolarHBondContact O-CG2 3.34Å; V600-T604 PolarHBondContact O-N 3.37Å; V600-T604 PolarHBondContact O-OG1 3.46Å; V600-T604 VanDerWaalsContact O-OG1 3.11Å; R601-T604 WeakPolarHBondContact CA-OG1 3.44Å; R601-T604 PolarHBondContact O-N 3.46Å; R601-T604 PolarHBondContact O-OG1 3.18Å; T604-N607 PolarHBondContact O-N 3.45Å; T604-A608 WeakPolarHBondContact O-CB 3.43Å; T604-A608 PolarHBondContact O-N 2.9Å
605	H	85.8	Confident	80.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-48.9	173.8	-176.4	-147.7	0	0	0	111.9	I259 V306 V308 R601 V603 N607 A608 L609 S629	I259-H605 VanDerWaalsContact CD1-CA 3.46Å; I259-H605 HydrophobicContact CD1-CB 3.84Å; I259-H605 HydrophobicContact CG1-CB 3.96Å; I259-H605 HydrophobicContact CG2-CB 4.29Å; V306-H605 PolarHBondContact O-ND1 3.3Å; V308-H605 HydrophobicContact CG2-CB 3.84Å; V308-H605 WeakPolarHBondContact CG2-ND1 3.28Å; R601-H605 WeakPolarHBondContact O-CB 3.48Å; R601-H605 PolarHBondContact O-N 2.97Å; V603-H605 VanDerWaalsContact C-N 3.3Å; V603-H605 PolarHBondContact O-N 2.95Å; H605-N607 VanDerWaalsContact C-N 3.32Å; H605-N607 PolarHBondContact O-N 3.01Å; H605-A608 PolarHBondContact O-N 3.03Å; H605-L609 WeakPolarHBondContact O-CG 3.33Å; H605-L609 PolarHBondContact O-N 2.84Å; H605-S629 PolarHBondContact CE1-OG 3.4Å; H605-S629 PolarHBondContact NE2-OG 3.49Å
606	A	84	Confident	78.3	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-43.9	173.9	0	0	0	0	0	111.8	V306 V560 S602 V603 A608 L609 T610	V306-A606 HydrophobicContact CG1-CB 3.71Å; V560-A606 HydrophobicContact CG1-CB 4.27Å; S602-A606 WeakPolarHBondContact O-CB 3.47Å; S602-A606 PolarHBondContact O-N 3.42Å; V603-A606 PolarHBondContact O-N 3.04Å; A606-A608 VanDerWaalsContact C-N 3.35Å; A606-A608 PolarHBondContact O-N 2.94Å; A606-L609 CarbonylContact O-C 3.49Å; A606-L609 PolarHBondContact O-N 2.88Å; A606-L609 VanDerWaalsContact O-N 3.12Å; A606-T610 PolarHBondContact O-N 3.33Å; A606-T610 VanDerWaalsContact O-N 3.1Å; A606-T610 PolarHBondContact O-OG1 3.08Å
607	N	77.1	Confident	76.4	Confident	84 Å²	84	53.2 Å²	53.2	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-64.5	-36.7	178.5	-72	-16.5	0	0	0	112.9	V603 T604 H605 L609 T610	V603-N607 WeakPolarHBondContact O-CB 3.38Å; V603-N607 PolarHBondContact O-N 2.9Å; V603-N607 PolarHBondContact O-ND2 2.92Å; T604-N607 PolarHBondContact O-N 3.45Å; H605-N607 VanDerWaalsContact C-N 3.32Å; H605-N607 PolarHBondContact O-N 3.01Å; N607-L609 PolarHBondContact O-N 2.89Å; N607-T610 WeakPolarHBondContact CA-OG1 3.4Å; N607-T610 WeakPolarHBondContact O-CB 3.47Å; N607-T610 PolarHBondContact O-N 3.49Å; N607-T610 VanDerWaalsContact O-N 3.17Å
608	A	77.9	Confident	75.1	Confident	25 Å²	25	57.2 Å²	57.2	21%	0.207	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-26.2	175.6	0	0	0	0	0	112.1	Q251 A255 F258 T604 H605 A606	Q251-A608 PolarHBondContact NE2-O 3.3Å; A255-A608 HydrophobicContact CB-CB 3.79Å; F258-A608 HydrophobicContact CD1-CB 4.09Å; T604-A608 WeakPolarHBondContact O-CB 3.43Å; T604-A608 PolarHBondContact O-N 2.9Å; H605-A608 PolarHBondContact O-N 3.03Å; A606-A608 VanDerWaalsContact C-N 3.35Å; A606-A608 PolarHBondContact O-N 2.94Å
609	L	84.8	Confident	74.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.9	176	-63.1	167.2	0	0	0	113.2	V252 A255 V306 H605 A606 N607 V623 I624 Q626	V252-L609 HydrophobicContact CG2-CD2 4.13Å; A255-L609 HydrophobicContact CB-CD2 3.99Å; A255-L609 HydrophobicContact CB-CG 4.41Å; V306-L609 HydrophobicContact CG1-CD1 4.44Å; H605-L609 WeakPolarHBondContact O-CG 3.33Å; H605-L609 PolarHBondContact O-N 2.84Å; A606-L609 CarbonylContact O-C 3.49Å; A606-L609 PolarHBondContact O-N 2.88Å; A606-L609 VanDerWaalsContact O-N 3.12Å; N607-L609 PolarHBondContact O-N 2.89Å; L609-V623 HydrophobicContact CB-CG1 4.05Å; L609-I624 HydrophobicContact CB-CB 4.5Å; L609-I624 PolarHBondContact O-N 2.97Å; L609-Q626 VanDerWaalsContact CD1-NE2 3.27Å; L609-Q626 HydrophobicContact CD2-CG 4.5Å
610	T	83.1	Confident	74.4	Confident	14 Å²	14	60.7 Å²	60.7	9%	0.086	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.4	179.4	-57.5	0	0	0	0	111.1	Q251 A606 N607 M612 I620 V623	Q251-T610 PolarHBondContact NE2-O 3.19Å; A606-T610 PolarHBondContact O-N 3.33Å; A606-T610 VanDerWaalsContact O-N 3.1Å; A606-T610 PolarHBondContact O-OG1 3.08Å; N607-T610 WeakPolarHBondContact CA-OG1 3.4Å; N607-T610 WeakPolarHBondContact O-CB 3.47Å; N607-T610 PolarHBondContact O-N 3.49Å; N607-T610 VanDerWaalsContact O-N 3.17Å; T610-M612 HydrophobicContact CG2-SD 3.9Å; T610-I620 HydrophobicContact CG2-CB 4.33Å; T610-I620 HydrophobicContact CG2-CG1 4.04Å; T610-I620 HydrophobicContact CG2-CG2 3.64Å; T610-V623 HydrophobicContact CG2-CG2 4.25Å
611	V	80.1	Confident	74.6	Confident	34 Å²	34	60.9 Å²	60.9	21%	0.206	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.5	171.2	-175.9	0	0	0	0	108.8	E621 K622 I624	V611-E621 PolarHBondContact O-N 3.28Å; V611-K622 HydrophobicContact CB-CG 4.29Å; V611-K622 HydrophobicContact CG2-CG 4.44Å; V611-K622 PolarHBondContact N-O 3.36Å; V611-I624 HydrophobicContact CG2-CD1 3.99Å; V611-I624 HydrophobicContact CG2-CG1 4.08Å
612	M	76	Confident	74.7	Confident	89 Å²	89	65.4 Å²	65.4	44%	0.438	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.9	179.1	-57.9	-66.7	-75.3	0	0	110.3	T610 P618 I620	T610-M612 HydrophobicContact CG2-SD 3.9Å; M612-P618 HydrophobicContact CB-CB 4.23Å; M612-P618 HydrophobicContact CE-CB 3.94Å; M612-P618 HydrophobicContact CE-CG 4.47Å; M612-P618 VanDerWaalsContact CE-O 3.3Å; M612-P618 WeakPolarHBondContact CE-O 3.34Å; M612-I620 HydrophobicContact CE-CG1 4.17Å; M612-I620 HydrophobicContact SD-CB 4.36Å; M612-I620 HydrophobicContact SD-CG1 3.62Å
613	S	74.9	Confident	74.7	Confident	51 Å²	51	65.9 Å²	65.9	36%	0.357	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-64.9	146.7	175.7	-179.1	0	0	0	0	112	G615 V619	S613-G615 PolarHBondContact O-N 3.4Å; S613-V619 PolarHBondContact N-O 3.02Å
614	K	67.8	Low	75.1	Confident	215 Å²	215	65.2 Å²	65.2	94%	0.935	35%	0.353	S	S	*	.	S	Bend	trans	-79	5.2	-178.4	-63.8	-179.3	179.8	175.7	0	114.5
615	G	58.2	Low	75.9	Confident	34 Å²	34	63.6 Å²	63.6	35%	0.351	34%	0.343	S	S	.	.	S	Bend	trans	-71.5	173.4	-179	0	0	0	0	0	114.9	S613 K617	S613-G615 PolarHBondContact O-N 3.4Å; G615-K617 PolarHBondContact O-N 2.87Å; G615-K617 VanDerWaalsContact O-N 3.15Å
616	P	48	Very low	76.2	Confident	143 Å²	143	63.6 Å²	63.6	93%	0.929	34%	0.343	S	S	*	.	S	Bend	trans	-62.5	-22.1	-178.2	24.3	-33.7	0	0	0	113.8
617	K	52.4	Low	76.6	Confident	173 Å²	173	63.8 Å²	63.8	75%	0.752	34%	0.344	S	S	*	.	S	Bend	trans	-119.2	114.8	163.4	-69.7	-176.9	-179	178.5	0	107.8	G615 V619	G615-K617 PolarHBondContact O-N 2.87Å; G615-K617 VanDerWaalsContact O-N 3.15Å; K617-V619 PolarHBondContact O-N 3.35Å; K617-V619 VanDerWaalsContact O-N 3.16Å
618	P	64.4	Low	77.3	Confident	85 Å²	85	61.7 Å²	61.7	55%	0.552	33%	0.332	S	S	*	.			trans	-69.2	114.8	-179.4	27.5	-32.9	0	0	0	109.2	M612	M612-P618 HydrophobicContact CB-CB 4.23Å; M612-P618 HydrophobicContact CE-CB 3.94Å; M612-P618 HydrophobicContact CE-CG 4.47Å; M612-P618 VanDerWaalsContact CE-O 3.3Å; M612-P618 WeakPolarHBondContact CE-O 3.34Å
619	V	73.4	Confident	78.1	Confident	87 Å²	87	60.5 Å²	60.5	53%	0.527	32%	0.322	S	S	.	.			trans	-104.5	145.8	175.6	-178.7	0	0	0	0	108.9	S613 K617 E621	S613-V619 PolarHBondContact N-O 3.02Å; K617-V619 PolarHBondContact O-N 3.35Å; K617-V619 VanDerWaalsContact O-N 3.16Å; V619-E621 PolarHBondContact O-N 2.96Å
620	I	77.4	Confident	78.4	Confident	47 Å²	47	60.8 Å²	60.8	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.5	174.7	-60.4	169.3	0	0	0	109.1	K566 T610 M612	K566-I620 WeakPolarHBondContact CD-O 3.27Å; K566-I620 WeakPolarHBondContact CE-O 3.2Å; K566-I620 PolarHBondContact NZ-O 3.47Å; T610-I620 HydrophobicContact CG2-CB 4.33Å; T610-I620 HydrophobicContact CG2-CG1 4.04Å; T610-I620 HydrophobicContact CG2-CG2 3.64Å; M612-I620 HydrophobicContact CE-CG1 4.17Å; M612-I620 HydrophobicContact SD-CB 4.36Å; M612-I620 HydrophobicContact SD-CG1 3.62Å
621	E	78.5	Confident	78.9	Confident	108 Å²	108	62.7 Å²	62.7	51%	0.505	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-56.9	178.8	-169.7	-179.6	157.4	0	0	110.3	K566 V611 V619	K566-E621 WeakPolarHBondContact CD-O 3.38Å; V611-E621 PolarHBondContact O-N 3.28Å; V619-E621 PolarHBondContact O-N 2.96Å
622	K	83.8	Confident	79.6	Confident	115 Å²	115	63.8 Å²	63.8	50%	0.5	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	160.7	177	62.8	-178.9	-179.9	-178	0	111.2	V611	V611-K622 HydrophobicContact CB-CG 4.29Å; V611-K622 HydrophobicContact CG2-CG 4.44Å; V611-K622 PolarHBondContact N-O 3.36Å
623	V	87.4	Confident	80.5	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.9	169.2	-178.9	0	0	0	0	108.8	R565 M567 L609 T610 E625	R565-V623 HydrophobicContact CB-CG2 4.24Å; R565-V623 WeakPolarHBondContact O-CG2 3.4Å; M567-V623 HydrophobicContact CE-CB 4.49Å; M567-V623 HydrophobicContact CE-CG1 4.07Å; M567-V623 HydrophobicContact CG-CB 4.27Å; M567-V623 HydrophobicContact CG-CG2 4.39Å; L609-V623 HydrophobicContact CB-CG1 4.05Å; T610-V623 HydrophobicContact CG2-CG2 4.25Å; V623-E625 PolarHBondContact O-N 3.03Å; V623-E625 VanDerWaalsContact O-N 3.16Å
624	I	88.4	Confident	81.4	Confident	15 Å²	15	57.6 Å²	57.6	8%	0.077	30%	0.304	C	S	.	.			trans	-76.9	101.8	176.7	-56.8	169.9	0	0	0	108.3	D246 N249 Q251 V252 L609 V611 Q626	D246-I624 HydrophobicContact CB-CG2 4.2Å; D246-I624 WeakPolarHBondContact O-CG2 3.41Å; N249-I624 HydrophobicContact CB-CD1 4.13Å; N249-I624 VanDerWaalsContact ND2-CD1 3.32Å; N249-I624 WeakPolarHBondContact ND2-CD1 3.48Å; Q251-I624 HydrophobicContact CB-CD1 4.39Å; V252-I624 HydrophobicContact CG2-CG2 4.34Å; L609-I624 HydrophobicContact CB-CB 4.5Å; L609-I624 PolarHBondContact O-N 2.97Å; V611-I624 HydrophobicContact CG2-CD1 3.99Å; V611-I624 HydrophobicContact CG2-CG1 4.08Å; I624-Q626 HydrophobicContact CG2-CG 4.24Å
625	E	90.2	Very high	82.7	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.028	28%	0.282	C	S	.	.			trans	-85.8	115.1	178.5	-67.7	-177.4	93.4	0	0	110.5	R236 M567 V568 K569 V623	R236-E625 IonicContact NH1-OE1 2.96Å; R236-E625 PolarHBondContact NH1-OE1 3.48Å; M567-E625 HydrophobicContact CE-CG 3.91Å; V568-E625 PolarHBondContact N-OE2 3.16Å; K569-E625 WeakPolarHBondContact CB-OE2 3.44Å; K569-E625 HydrophobicContact CD-CB 3.78Å; K569-E625 HydrophobicContact CG-CB 4.4Å; K569-E625 WeakPolarHBondContact CG-OE2 3.47Å; K569-E625 PolarHBondContact N-OE2 3.37Å; K569-E625 PolarHBondContact NZ-O 3.28Å; V623-E625 PolarHBondContact O-N 3.03Å; V623-E625 VanDerWaalsContact O-N 3.16Å
626	Q	91.7	Very high	84.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.			trans	-150.8	168.7	-177.5	52.8	62.9	48.1	0	0	112	D243 A247 V252 P305 L609 I624 S629	D243-Q626 VanDerWaalsContact O-CB 3.23Å; D243-Q626 WeakPolarHBondContact O-CB 3.43Å; A247-Q626 HydrophobicContact CB-CB 3.99Å; A247-Q626 HydrophobicContact CB-CG 4.33Å; V252-Q626 HydrophobicContact CG1-CG 4.46Å; V252-Q626 HydrophobicContact CG2-CG 4.27Å; P305-Q626 WeakPolarHBondContact CG-O 3.44Å; L609-Q626 VanDerWaalsContact CD1-NE2 3.27Å; L609-Q626 HydrophobicContact CD2-CG 4.5Å; I624-Q626 HydrophobicContact CG2-CG 4.24Å; Q626-S629 PolarHBondContact NE2-OG 3.3Å; Q626-S629 PolarHBondContact OE1-OG 2.85Å
627	R	92.3	Very high	86.5	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.015	24%	0.236	C	C	.	.	S	Bend	trans	-105.2	-24.7	-177.5	-68.8	173.7	-177	-86.4	-0.5	114.7	Y240 D243 C299 L300 A302 P305 M631	Y240-R627 VanDerWaalsContact CE2-CZ 3.43Å; D243-R627 HydrophobicContact CB-CG 3.92Å; D243-R627 IonicContact OD2-CZ 2.76Å; D243-R627 IonicContact OD2-NE 2.83Å; D243-R627 PolarHBondContact OD2-NE 3Å; D243-R627 IonicContact OD2-NH2 3.57Å; C299-R627 WeakPolarHBondContact O-CG 3.32Å; C299-R627 PolarHBondContact O-NH1 3.46Å; L300-R627 PolarHBondContact O-NH1 2.91Å; A302-R627 VanDerWaalsContact O-CZ 3.3Å; A302-R627 PolarHBondContact O-NH1 3.32Å; A302-R627 PolarHBondContact O-NH2 3.44Å; P305-R627 HydrophobicContact CB-CB 4.27Å; P305-R627 HydrophobicContact CB-CG 3.59Å; P305-R627 HydrophobicContact CG-CG 3.6Å; R627-M631 PolarHBondContact O-N 3.15Å
628	I	93.5	Very high	88.3	Confident	40 Å²	40	38.6 Å²	38.6	21%	0.205	21%	0.206	C	C	.	.	H	α-helix	trans	-70.2	-39.9	-166.6	-59.4	-166.5	0	0	0	111.7	Y244 A247 G630 M631 I632	Y244-I628 HydrophobicContact CD1-CD1 3.83Å; Y244-I628 HydrophobicContact CD1-CG1 3.96Å; Y244-I628 HydrophobicContact CE1-CG1 4.3Å; A247-I628 HydrophobicContact CB-CB 3.73Å; A247-I628 HydrophobicContact CB-CD1 3.33Å; A247-I628 HydrophobicContact CB-CG1 3.52Å; I628-G630 PolarHBondContact O-N 3.36Å; I628-M631 PolarHBondContact O-N 2.99Å; I628-I632 HydrophobicContact CG2-CD1 3.46Å; I628-I632 VanDerWaalsContact CG2-CD1 3.46Å; I628-I632 HydrophobicContact CG2-CG1 3.99Å; I628-I632 WeakPolarHBondContact O-CB 3.32Å; I628-I632 WeakPolarHBondContact O-CG1 3.21Å; I628-I632 PolarHBondContact O-N 3.21Å
629	S	92.9	Very high	89.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-45.5	-176.1	66.6	0	0	0	0	112.3	H605 Q626 M631 I632 V633	H605-S629 PolarHBondContact CE1-OG 3.4Å; H605-S629 PolarHBondContact NE2-OG 3.49Å; Q626-S629 PolarHBondContact NE2-OG 3.3Å; Q626-S629 PolarHBondContact OE1-OG 2.85Å; S629-M631 VanDerWaalsContact C-N 3.32Å; S629-M631 PolarHBondContact O-N 3.09Å; S629-I632 PolarHBondContact O-N 3.03Å; S629-V633 WeakPolarHBondContact O-CB 3.23Å; S629-V633 WeakPolarHBondContact O-CG2 3.5Å; S629-V633 PolarHBondContact O-N 3.29Å
630	G	91.8	Very high	90.3	Very high	7 Å²	7	34.4 Å²	34.4	7%	0.072	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-41.2	178	0	0	0	0	0	111.2	C299 I628 V633 A634	C299-G630 VanDerWaalsContact SG-C 3.54Å; I628-G630 PolarHBondContact O-N 3.36Å; G630-V633 PolarHBondContact O-N 3.47Å; G630-A634 WeakPolarHBondContact O-CB 3.2Å; G630-A634 PolarHBondContact O-N 2.82Å
631	M	94.3	Very high	90.8	Very high	53 Å²	53	32.3 Å²	32.3	26%	0.261	17%	0.168	S	C	.	.	H	α-helix	trans	-63.3	-46.9	176.2	-175.1	179.9	67.2	0	0	112.3	I296 C299 L300 R627 I628 S629 A634 L635	I296-M631 HydrophobicContact CG1-CG 4.34Å; I296-M631 HydrophobicContact CG2-CG 4.35Å; C299-M631 HydrophobicContact CB-CB 4.21Å; L300-M631 HydrophobicContact CD2-SD 3.89Å; L300-M631 HydrophobicContact CG-SD 4.33Å; R627-M631 PolarHBondContact O-N 3.15Å; I628-M631 PolarHBondContact O-N 2.99Å; S629-M631 VanDerWaalsContact C-N 3.32Å; S629-M631 PolarHBondContact O-N 3.09Å; M631-A634 PolarHBondContact O-N 2.68Å; M631-L635 WeakPolarHBondContact O-CB 3.43Å; M631-L635 PolarHBondContact O-N 2.88Å
632	I	95.1	Very high	91.2	Very high	57 Å²	57	33.7 Å²	33.7	29%	0.292	17%	0.173	S	C	.	.	H	α-helix	trans	-66.1	-41.1	178	-68	177.1	0	0	0	110.5	I256 I628 S629 A634 L635 M636	I256-I632 HydrophobicContact CD1-CB 4.28Å; I256-I632 HydrophobicContact CD1-CD1 3.8Å; I256-I632 HydrophobicContact CD1-CG2 4.36Å; I256-I632 HydrophobicContact CG1-CB 4.49Å; I256-I632 HydrophobicContact CG2-CB 4.31Å; I256-I632 HydrophobicContact CG2-CG2 3.6Å; I628-I632 HydrophobicContact CG2-CD1 3.46Å; I628-I632 VanDerWaalsContact CG2-CD1 3.46Å; I628-I632 HydrophobicContact CG2-CG1 3.99Å; I628-I632 WeakPolarHBondContact O-CB 3.32Å; I628-I632 WeakPolarHBondContact O-CG1 3.21Å; I628-I632 PolarHBondContact O-N 3.21Å; S629-I632 PolarHBondContact O-N 3.03Å; I632-A634 PolarHBondContact O-N 2.95Å; I632-L635 PolarHBondContact O-N 3.25Å; I632-M636 HydrophobicContact CG2-CG 4.15Å; I632-M636 HydrophobicContact CG2-SD 3.97Å; I632-M636 WeakPolarHBondContact O-CB 3.32Å; I632-M636 VanDerWaalsContact O-CG 3.28Å; I632-M636 WeakPolarHBondContact O-CG 3.43Å; I632-M636 PolarHBondContact O-N 2.95Å
633	V	94.3	Very high	91.1	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-47.2	175.5	165.3	0	0	0	0	110.9	I256 I259 A263 S629 G630 L635 M636 V637	I256-V633 HydrophobicContact CG2-CG2 4.39Å; I256-V633 WeakPolarHBondContact O-CG2 3.5Å; I259-V633 HydrophobicContact CB-CG2 4.07Å; I259-V633 HydrophobicContact CG2-CG1 4.2Å; I259-V633 HydrophobicContact CG2-CG2 4.1Å; A263-V633 HydrophobicContact CB-CG1 3.94Å; S629-V633 WeakPolarHBondContact O-CB 3.23Å; S629-V633 WeakPolarHBondContact O-CG2 3.5Å; S629-V633 PolarHBondContact O-N 3.29Å; G630-V633 PolarHBondContact O-N 3.47Å; V633-L635 VanDerWaalsContact C-N 3.32Å; V633-L635 PolarHBondContact O-N 3.47Å; V633-M636 PolarHBondContact O-N 3.26Å; V633-V637 HydrophobicContact CG1-CG2 4.43Å; V633-V637 WeakPolarHBondContact O-CG2 3.2Å; V633-V637 PolarHBondContact O-N 2.87Å
634	A	94.4	Very high	90.8	Very high	6 Å²	6	33.6 Å²	33.6	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-44.3	178.2	0	0	0	0	0	111.4	C292 I296 G630 M631 I632 V637 G638	C292-A634 WeakPolarHBondContact CA-O 3.47Å; C292-A634 WeakPolarHBondContact CB-O 3.33Å; C292-A634 PolarHBondContact SG-O 3.19Å; I296-A634 HydrophobicContact CG1-CB 4.03Å; G630-A634 WeakPolarHBondContact O-CB 3.2Å; G630-A634 PolarHBondContact O-N 2.82Å; M631-A634 PolarHBondContact O-N 2.68Å; I632-A634 PolarHBondContact O-N 2.95Å; A634-V637 PolarHBondContact O-N 3.39Å; A634-G638 PolarHBondContact O-N 3.42Å; A634-G638 VanDerWaalsContact O-N 3.09Å
635	L	95	Very high	90.6	Very high	90 Å²	90	36.7 Å²	36.7	47%	0.471	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-47.4	175.3	-179	64.1	0	0	0	111.8	I296 M631 I632 V633 V637 G638 V639	I296-L635 HydrophobicContact CD1-CB 4.28Å; I296-L635 HydrophobicContact CD1-CD1 4.28Å; M631-L635 WeakPolarHBondContact O-CB 3.43Å; M631-L635 PolarHBondContact O-N 2.88Å; I632-L635 PolarHBondContact O-N 3.25Å; V633-L635 VanDerWaalsContact C-N 3.32Å; V633-L635 PolarHBondContact O-N 3.47Å; L635-V637 VanDerWaalsContact C-N 3.34Å; L635-V637 PolarHBondContact O-N 3.32Å; L635-G638 PolarHBondContact O-N 2.66Å; L635-G638 VanDerWaalsContact O-N 3.13Å; L635-V639 WeakPolarHBondContact O-CG2 3.2Å; L635-V639 PolarHBondContact O-N 3.23Å
636	M	93.3	Very high	90.2	Very high	65 Å²	65	41.4 Å²	41.4	32%	0.32	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-42.3	178.9	-73.4	-178.2	71.9	0	0	111.5	I256 Y260 I632 V633 G638 V639 S640	I256-M636 HydrophobicContact CG2-SD 3.99Å; Y260-M636 HydrophobicContact CD1-CE 3.82Å; Y260-M636 HydrophobicContact CD2-CB 3.39Å; Y260-M636 HydrophobicContact CD2-CE 4.05Å; Y260-M636 HydrophobicContact CD2-CG 4.46Å; Y260-M636 HydrophobicContact CD2-SD 4.4Å; Y260-M636 HydrophobicContact CE1-CE 4.07Å; Y260-M636 HydrophobicContact CE2-CB 3.63Å; Y260-M636 HydrophobicContact CE2-CE 4.27Å; Y260-M636 HydrophobicContact CG-CB 4.19Å; Y260-M636 HydrophobicContact CG-CE 3.79Å; Y260-M636 HydrophobicContact CG-SD 4.28Å; I632-M636 HydrophobicContact CG2-CG 4.15Å; I632-M636 HydrophobicContact CG2-SD 3.97Å; I632-M636 WeakPolarHBondContact O-CB 3.32Å; I632-M636 VanDerWaalsContact O-CG 3.28Å; I632-M636 WeakPolarHBondContact O-CG 3.43Å; I632-M636 PolarHBondContact O-N 2.95Å; V633-M636 PolarHBondContact O-N 3.26Å; M636-G638 VanDerWaalsContact C-N 3.29Å; M636-G638 PolarHBondContact O-N 3.07Å; M636-V639 PolarHBondContact O-N 3Å; M636-S640 PolarHBondContact O-N 3.12Å; M636-S640 PolarHBondContact O-OG 3.43Å
637	V	91.8	Very high	89.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-39.2	174.9	170.6	0	0	0	0	111.3	Y260 A263 M288 T291 V633 A634 L635 S640	Y260-V637 HydrophobicContact CD2-CG2 4.16Å; Y260-V637 HydrophobicContact CE2-CG2 4.46Å; A263-V637 HydrophobicContact CB-CG2 4.07Å; M288-V637 WeakPolarHBondContact CE-O 3.39Å; T291-V637 HydrophobicContact CG2-CG1 4.22Å; V633-V637 HydrophobicContact CG1-CG2 4.43Å; V633-V637 WeakPolarHBondContact O-CG2 3.2Å; V633-V637 PolarHBondContact O-N 2.87Å; A634-V637 PolarHBondContact O-N 3.39Å; L635-V637 VanDerWaalsContact C-N 3.34Å; L635-V637 PolarHBondContact O-N 3.32Å; V637-S640 WeakPolarHBondContact O-CB 3.25Å; V637-S640 PolarHBondContact O-N 3.38Å
638	G	90.6	Very high	89.4	Confident	12 Å²	12	46.1 Å²	46.1	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-42.8	174.2	0	0	0	0	0	113.1	A634 L635 M636 S640 I641	A634-G638 PolarHBondContact O-N 3.42Å; A634-G638 VanDerWaalsContact O-N 3.09Å; L635-G638 PolarHBondContact O-N 2.66Å; L635-G638 VanDerWaalsContact O-N 3.13Å; M636-G638 VanDerWaalsContact C-N 3.29Å; M636-G638 PolarHBondContact O-N 3.07Å; G638-S640 PolarHBondContact O-N 2.9Å; G638-I641 WeakPolarHBondContact O-CB 3.22Å; G638-I641 WeakPolarHBondContact O-CG1 3.37Å; G638-I641 PolarHBondContact O-N 3.3Å
639	V	90.7	Very high	89	Confident	80 Å²	80	47.9 Å²	47.9	49%	0.485	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-28.3	177.1	173.6	0	0	0	0	111.6	L635 M636 I641 F642	L635-V639 WeakPolarHBondContact O-CG2 3.2Å; L635-V639 PolarHBondContact O-N 3.23Å; M636-V639 PolarHBondContact O-N 3Å; V639-I641 PolarHBondContact O-N 3.3Å; V639-F642 HydrophobicContact CG1-CD2 4.39Å; V639-F642 WeakPolarHBondContact O-CD2 3.24Å; V639-F642 PolarHBondContact O-N 3.43Å
640	S	90.1	Very high	88.7	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.021	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.2	-14.5	176.1	-53.4	0	0	0	0	114	Y260 M288 M636 V637 G638 F642 M643 L647	Y260-S640 VanDerWaalsContact CE2-OG 3.25Å; Y260-S640 WeakPolarHBondContact CE2-OG 3.37Å; Y260-S640 PolarHBondContact OH-OG 3.29Å; M288-S640 VanDerWaalsContact CE-CB 3.43Å; M636-S640 PolarHBondContact O-N 3.12Å; M636-S640 PolarHBondContact O-OG 3.43Å; V637-S640 WeakPolarHBondContact O-CB 3.25Å; V637-S640 PolarHBondContact O-N 3.38Å; G638-S640 PolarHBondContact O-N 2.9Å; S640-F642 PolarHBondContact O-N 3.01Å; S640-M643 WeakPolarHBondContact O-CB 3.48Å; S640-M643 PolarHBondContact O-N 3.43Å; S640-L647 WeakPolarHBondContact O-CD1 3.43Å
641	I	87.1	Confident	88.5	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.7	-34.3	172	-64	174.9	0	0	0	110.8	M288 V289 G508 G638 V639 M643 E644	M288-I641 HydrophobicContact CB-CD1 3.79Å; M288-I641 HydrophobicContact CB-CG1 3.72Å; M288-I641 HydrophobicContact CE-CG1 3.81Å; M288-I641 HydrophobicContact CG-CG1 4.47Å; M288-I641 HydrophobicContact SD-CG1 3.99Å; V289-I641 HydrophobicContact CG2-CD1 3.47Å; V289-I641 VanDerWaalsContact CG2-CD1 3.47Å; G508-I641 WeakPolarHBondContact O-CG2 3.42Å; G638-I641 WeakPolarHBondContact O-CB 3.22Å; G638-I641 WeakPolarHBondContact O-CG1 3.37Å; G638-I641 PolarHBondContact O-N 3.3Å; V639-I641 PolarHBondContact O-N 3.3Å; I641-M643 PolarHBondContact O-N 3.31Å; I641-E644 WeakPolarHBondContact O-CB 3.43Å; I641-E644 PolarHBondContact O-N 3.13Å; I641-E644 VanDerWaalsContact O-N 3.12Å
642	F	86.2	Confident	87.9	Confident	137 Å²	137	45.8 Å²	45.8	60%	0.601	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-69.9	-11.4	176.3	-62.1	-68.8	0	0	0	113.3	I509 V639 S640 E644	I509-F642 HydrophobicContact CD1-CZ 4.22Å; I509-F642 HydrophobicContact CG1-CZ 4.42Å; V639-F642 HydrophobicContact CG1-CD2 4.39Å; V639-F642 WeakPolarHBondContact O-CD2 3.24Å; V639-F642 PolarHBondContact O-N 3.43Å; S640-F642 PolarHBondContact O-N 3.01Å; F642-E644 PolarHBondContact O-N 3.4Å
643	M	82.3	Confident	87.6	Confident	97 Å²	97	43.1 Å²	43.1	48%	0.478	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-83.2	19.2	169.9	-60.7	-178.5	160.9	0	0	112.4	S640 I641 P645 I646 L647	S640-M643 WeakPolarHBondContact O-CB 3.48Å; S640-M643 PolarHBondContact O-N 3.43Å; I641-M643 PolarHBondContact O-N 3.31Å; M643-P645 VanDerWaalsContact C-CD 3.4Å; M643-P645 VanDerWaalsContact C-N 3.33Å; M643-I646 WeakPolarHBondContact O-CB 3.47Å; M643-I646 PolarHBondContact O-N 3.27Å; M643-L647 WeakPolarHBondContact O-CG 3.41Å; M643-L647 PolarHBondContact O-N 3.45Å
644	E	81.1	Confident	87.3	Confident	26 Å²	26	42.9 Å²	42.9	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-42.9	-45.8	177.9	167.8	-97.2	150.1	0	0	114.8	V505 I641 F642 I646 L647 R648	V505-E644 HydrophobicContact CB-CG 4.33Å; V505-E644 HydrophobicContact CG1-CB 4.21Å; V505-E644 HydrophobicContact CG1-CG 4.11Å; I641-E644 WeakPolarHBondContact O-CB 3.43Å; I641-E644 PolarHBondContact O-N 3.13Å; I641-E644 VanDerWaalsContact O-N 3.12Å; F642-E644 PolarHBondContact O-N 3.4Å; E644-I646 PolarHBondContact O-N 3.18Å; E644-L647 PolarHBondContact O-N 2.94Å; E644-R648 HydrophobicContact CG-CG 4.26Å; E644-R648 PolarHBondContact O-N 3.01Å; E644-R648 WeakPolarHBondContact OE1-CD 3.33Å; E644-R648 IonicContact OE1-CZ 2.61Å; E644-R648 IonicContact OE1-NE 2.72Å; E644-R648 PolarHBondContact OE1-NE 3.36Å; E644-R648 IonicContact OE1-NH1 3.13Å; E644-R648 PolarHBondContact OE1-NH1 3.21Å; E644-R648 IonicContact OE1-NH2 2.73Å
645	P	83.3	Confident	86.8	Confident	79 Å²	79	42.7 Å²	42.7	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-35.1	179.3	-26.3	35.3	0	0	0	113	M643 M649	M643-P645 VanDerWaalsContact C-CD 3.4Å; M643-P645 VanDerWaalsContact C-N 3.33Å; P645-M649 WeakPolarHBondContact O-CG 3.31Å
646	I	82.8	Confident	86.4	Confident	105 Å²	105	38.8 Å²	38.8	54%	0.538	20%	0.197	S	C	.	.	H	α-helix	trans	-77.8	-40.9	177.1	-58.6	172.9	0	0	0	110	M643 E644 R648 M649	M643-I646 WeakPolarHBondContact O-CB 3.47Å; M643-I646 PolarHBondContact O-N 3.27Å; E644-I646 PolarHBondContact O-N 3.18Å; I646-R648 VanDerWaalsContact C-N 3.35Å; I646-R648 PolarHBondContact O-N 3.34Å; I646-M649 WeakPolarHBondContact O-CB 3.47Å; I646-M649 PolarHBondContact O-N 3.23Å; I646-M649 VanDerWaalsContact O-N 3.15Å
647	L	81.5	Confident	86.2	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-36.2	-178.3	-64.5	177.4	0	0	0	112.8	I268 M288 L503 V505 S640 M643 E644 M649 I650	I268-L647 HydrophobicContact CD1-CD2 3.43Å; I268-L647 VanDerWaalsContact CD1-CD2 3.43Å; I268-L647 HydrophobicContact CG1-CD2 4.06Å; M288-L647 HydrophobicContact CE-CD1 4.41Å; M288-L647 HydrophobicContact SD-CD1 4.39Å; L503-L647 HydrophobicContact CD2-CB 4.27Å; V505-L647 HydrophobicContact CG2-CB 4.04Å; S640-L647 WeakPolarHBondContact O-CD1 3.43Å; M643-L647 WeakPolarHBondContact O-CG 3.41Å; M643-L647 PolarHBondContact O-N 3.45Å; E644-L647 PolarHBondContact O-N 2.94Å; L647-M649 PolarHBondContact O-N 2.88Å; L647-I650 HydrophobicContact CD2-CD1 3.95Å; L647-I650 WeakPolarHBondContact O-CB 3.35Å; L647-I650 WeakPolarHBondContact O-CG1 3.41Å; L647-I650 PolarHBondContact O-N 3.15Å
648	R	84.4	Confident	85.9	Confident	94 Å²	94	35.7 Å²	35.7	36%	0.355	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.3	175.5	-75	-173	176.7	171.4	-8	113.8	K502 V505 E644 I646 I650	K502-R648 WeakPolarHBondContact CB-O 3.49Å; V505-R648 HydrophobicContact CB-CG 4.24Å; V505-R648 PolarHBondContact O-NE 3.4Å; V505-R648 PolarHBondContact O-NH2 2.98Å; E644-R648 HydrophobicContact CG-CG 4.26Å; E644-R648 PolarHBondContact O-N 3.01Å; E644-R648 WeakPolarHBondContact OE1-CD 3.33Å; E644-R648 IonicContact OE1-CZ 2.61Å; E644-R648 IonicContact OE1-NE 2.72Å; E644-R648 PolarHBondContact OE1-NE 3.36Å; E644-R648 IonicContact OE1-NH1 3.13Å; E644-R648 PolarHBondContact OE1-NH1 3.21Å; E644-R648 IonicContact OE1-NH2 2.73Å; I646-R648 VanDerWaalsContact C-N 3.35Å; I646-R648 PolarHBondContact O-N 3.34Å; R648-I650 VanDerWaalsContact C-N 3.27Å
649	M	85.9	Confident	85.4	Confident	77 Å²	77	35.4 Å²	35.4	38%	0.379	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.6	175.8	-59.5	-179.4	91.9	0	0	112.5	I489 I493 P645 I646 L647 P651	I489-M649 HydrophobicContact CG2-CB 4.08Å; I493-M649 HydrophobicContact CD1-CE 3.29Å; I493-M649 HydrophobicContact CD1-SD 4.36Å; I493-M649 HydrophobicContact CG1-CE 3.73Å; P645-M649 WeakPolarHBondContact O-CG 3.31Å; I646-M649 WeakPolarHBondContact O-CB 3.47Å; I646-M649 PolarHBondContact O-N 3.23Å; I646-M649 VanDerWaalsContact O-N 3.15Å; L647-M649 PolarHBondContact O-N 2.88Å; M649-P651 VanDerWaalsContact O-CD 3.23Å; M649-P651 WeakPolarHBondContact O-CD 3.49Å
650	I	86.3	Confident	85.2	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.041	16%	0.155	C	C	.	.			trans	-75	117.4	-177.6	-55.2	179.5	0	0	0	109.5	I268 I485 I489 L503 L647 R648 M652 L655	I268-I650 HydrophobicContact CD1-CD1 4.35Å; I268-I650 HydrophobicContact CG2-CD1 4.21Å; I485-I650 HydrophobicContact CG2-CG2 4.36Å; I489-I650 HydrophobicContact CD1-CG1 3.74Å; I489-I650 HydrophobicContact CG1-CG1 4.37Å; L503-I650 PolarHBondContact N-O 3.21Å; L647-I650 HydrophobicContact CD2-CD1 3.95Å; L647-I650 WeakPolarHBondContact O-CB 3.35Å; L647-I650 WeakPolarHBondContact O-CG1 3.41Å; L647-I650 PolarHBondContact O-N 3.15Å; R648-I650 VanDerWaalsContact C-N 3.27Å; I650-M652 PolarHBondContact O-N 3.3Å; I650-L655 HydrophobicContact CG2-CD1 4.15Å; I650-L655 HydrophobicContact CG2-CD2 4.02Å; I650-L655 HydrophobicContact CG2-CG 3.92Å
651	P	87.4	Confident	85	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-70.9	132	172.6	28.6	-32.3	0	0	0	109.8	L448 D492 M649 T653 A654	L448-P651 HydrophobicContact CD1-CB 4.19Å; L448-P651 HydrophobicContact CD1-CG 4.27Å; D492-P651 HydrophobicContact CB-CG 4.15Å; M649-P651 VanDerWaalsContact O-CD 3.23Å; M649-P651 WeakPolarHBondContact O-CD 3.49Å; P651-T653 PolarHBondContact O-N 2.87Å; P651-T653 VanDerWaalsContact O-N 3.13Å; P651-A654 HydrophobicContact CG-CB 3.86Å; P651-A654 PolarHBondContact O-N 2.82Å; P651-A654 VanDerWaalsContact O-N 3.11Å
652	M	82.9	Confident	84.5	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.039	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-27	178.4	-75.8	-68.3	-71.2	0	0	112.4	L273 Q501 L503 I650 L655 F656	L273-M652 HydrophobicContact CD2-CE 4.49Å; Q501-M652 HydrophobicContact CB-CB 4.46Å; Q501-M652 HydrophobicContact CG-CB 4.44Å; Q501-M652 HydrophobicContact CG-CG 4.26Å; Q501-M652 WeakPolarHBondContact O-CB 3.46Å; Q501-M652 PolarHBondContact O-N 3.22Å; L503-M652 HydrophobicContact CD1-SD 3.63Å; I650-M652 PolarHBondContact O-N 3.3Å; M652-L655 WeakPolarHBondContact O-CB 3.44Å; M652-L655 PolarHBondContact O-N 3.43Å; M652-L655 HydrophobicContact SD-CD1 3.9Å; M652-F656 WeakPolarHBondContact O-CD1 3.05Å; M652-F656 PolarHBondContact O-N 3.13Å
653	T	87.6	Confident	84.2	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-72.4	-32.2	179.6	53.3	0	0	0	0	112.7	I390 S445 M449 P651 L655 F656 G657	I390-T653 HydrophobicContact CD1-CG2 3.76Å; S445-T653 VanDerWaalsContact CB-CG2 3.42Å; S445-T653 WeakPolarHBondContact OG-CG2 3.33Å; M449-T653 WeakPolarHBondContact CA-O 3.47Å; M449-T653 WeakPolarHBondContact CB-O 3.48Å; P651-T653 PolarHBondContact O-N 2.87Å; P651-T653 VanDerWaalsContact O-N 3.13Å; T653-L655 VanDerWaalsContact C-N 3.32Å; T653-F656 WeakPolarHBondContact O-CB 3.18Å; T653-F656 PolarHBondContact O-N 2.7Å; T653-G657 PolarHBondContact O-N 3Å
654	A	88.5	Confident	84.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67	-36.4	171.3	0	0	0	0	0	111.3	C452 M488 P651 F656 G657 I658	C452-A654 HydrophobicContact CB-CB 4.27Å; M488-A654 HydrophobicContact CB-CB 3.98Å; P651-A654 HydrophobicContact CG-CB 3.86Å; P651-A654 PolarHBondContact O-N 2.82Å; P651-A654 VanDerWaalsContact O-N 3.11Å; A654-F656 VanDerWaalsContact C-N 3.27Å; A654-F656 PolarHBondContact O-N 2.9Å; A654-G657 WeakPolarHBondContact O-CA 3.4Å; A654-G657 PolarHBondContact O-N 3.2Å; A654-I658 PolarHBondContact O-N 3.44Å; A654-I658 VanDerWaalsContact O-N 3.13Å
655	L	84.4	Confident	84.1	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-34.5	174.3	-66.5	178.3	0	0	0	112	I268 T269 L503 I650 M652 T653 G657 I658 F659	I268-L655 HydrophobicContact CG2-CD1 4.2Å; I268-L655 HydrophobicContact CG2-CD2 4.3Å; T269-L655 HydrophobicContact CG2-CB 3.64Å; T269-L655 HydrophobicContact CG2-CD2 4Å; T269-L655 HydrophobicContact CG2-CG 4.28Å; L503-L655 HydrophobicContact CD1-CD1 3.9Å; I650-L655 HydrophobicContact CG2-CD1 4.15Å; I650-L655 HydrophobicContact CG2-CD2 4.02Å; I650-L655 HydrophobicContact CG2-CG 3.92Å; M652-L655 WeakPolarHBondContact O-CB 3.44Å; M652-L655 PolarHBondContact O-N 3.43Å; M652-L655 HydrophobicContact SD-CD1 3.9Å; T653-L655 VanDerWaalsContact C-N 3.32Å; L655-G657 VanDerWaalsContact C-N 3.33Å; L655-I658 PolarHBondContact O-N 2.7Å; L655-F659 WeakPolarHBondContact O-CD2 3.23Å; L655-F659 PolarHBondContact O-N 2.69Å
656	F	86.4	Confident	83.6	Confident	7 Å²	7	23.5 Å²	23.5	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-37	171	-62.1	-11.3	0	0	0	112.2	L273 T383 K386 I390 M449 M652 T653 A654 I658 F659 L660	L273-F656 HydrophobicContact CD2-CD1 4.48Å; L273-F656 HydrophobicContact CD2-CE1 3.67Å; T383-F656 HydrophobicContact CG2-CB 3.92Å; T383-F656 WeakPolarHBondContact CG2-O 3.34Å; K386-F656 HydrophobicContact CB-CD2 4.15Å; K386-F656 HydrophobicContact CB-CE2 3.73Å; K386-F656 HydrophobicContact CB-CZ 4.02Å; K386-F656 HydrophobicContact CD-CD1 4.35Å; K386-F656 HydrophobicContact CD-CE1 3.76Å; K386-F656 HydrophobicContact CD-CE2 4.29Å; K386-F656 HydrophobicContact CD-CZ 3.73Å; K386-F656 HydrophobicContact CG-CZ 4.33Å; I390-F656 HydrophobicContact CD1-CD2 4.32Å; I390-F656 HydrophobicContact CD1-CE2 3.75Å; M449-F656 HydrophobicContact CG-CB 3.93Å; M449-F656 HydrophobicContact SD-CB 4.22Å; M652-F656 WeakPolarHBondContact O-CD1 3.05Å; M652-F656 PolarHBondContact O-N 3.13Å; T653-F656 WeakPolarHBondContact O-CB 3.18Å; T653-F656 PolarHBondContact O-N 2.7Å; A654-F656 VanDerWaalsContact C-N 3.27Å; A654-F656 PolarHBondContact O-N 2.9Å; F656-I658 VanDerWaalsContact C-N 3.3Å; F656-I658 PolarHBondContact O-N 2.91Å; F656-F659 HydrophobicContact CD1-CD2 4.11Å; F656-F659 HydrophobicContact CD1-CE2 4.44Å; F656-F659 WeakPolarHBondContact O-CB 3.34Å; F656-F659 PolarHBondContact O-N 3.48Å; F656-F659 VanDerWaalsContact O-N 3.15Å; F656-L660 PolarHBondContact O-N 3.31Å
657	G	88.6	Confident	83.3	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.6	-39.5	172.2	0	0	0	0	0	112.8	M449 T653 A654 L655 L660 Y661	M449-G657 WeakPolarHBondContact O-CA 3.33Å; T653-G657 PolarHBondContact O-N 3Å; A654-G657 WeakPolarHBondContact O-CA 3.4Å; A654-G657 PolarHBondContact O-N 3.2Å; L655-G657 VanDerWaalsContact C-N 3.33Å; G657-L660 PolarHBondContact O-N 3.21Å; G657-Y661 PolarHBondContact O-N 3.15Å
658	I	85.8	Confident	83	Confident	1 Å²	1	23 Å²	23	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-68.4	-35.8	173.6	-59.7	-52.3	0	0	0	111.9	C452 A456 V481 I485 A654 L655 F656 Y661 M662	C452-I658 WeakPolarHBondContact SG-CD1 3.4Å; A456-I658 HydrophobicContact CB-CD1 4.12Å; V481-I658 HydrophobicContact CB-CD1 4.48Å; V481-I658 HydrophobicContact CG1-CD1 3.82Å; V481-I658 HydrophobicContact CG1-CG1 4.22Å; V481-I658 HydrophobicContact CG1-CG2 3.88Å; V481-I658 HydrophobicContact CG2-CD1 4.45Å; I485-I658 HydrophobicContact CD1-CG1 4.13Å; I485-I658 HydrophobicContact CG1-CD1 4.23Å; I485-I658 HydrophobicContact CG1-CG1 3.9Å; A654-I658 PolarHBondContact O-N 3.44Å; A654-I658 VanDerWaalsContact O-N 3.13Å; L655-I658 PolarHBondContact O-N 2.7Å; F656-I658 VanDerWaalsContact C-N 3.3Å; F656-I658 PolarHBondContact O-N 2.91Å; I658-Y661 WeakPolarHBondContact O-CB 3.46Å; I658-Y661 PolarHBondContact O-N 3.32Å; I658-M662 HydrophobicContact CG2-CE 4.13Å; I658-M662 HydrophobicContact CG2-CG 4.4Å; I658-M662 HydrophobicContact CG2-SD 4.46Å; I658-M662 WeakPolarHBondContact O-CG 3.28Å; I658-M662 PolarHBondContact O-N 2.87Å
659	F	79.1	Confident	82.3	Confident	6 Å²	6	22 Å²	22	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-63.2	-42.3	172.2	-75.7	-48.6	0	0	0	112.8	T269 F270 L273 L655 F656 Y661 M662 G663	T269-F659 HydrophobicContact CG2-CD1 3.95Å; T269-F659 HydrophobicContact CG2-CD2 3.74Å; T269-F659 HydrophobicContact CG2-CE1 3.43Å; T269-F659 VanDerWaalsContact CG2-CE1 3.43Å; T269-F659 HydrophobicContact CG2-CE2 3.18Å; T269-F659 HydrophobicContact CG2-CG 4.07Å; T269-F659 HydrophobicContact CG2-CZ 3.02Å; F270-F659 HydrophobicContact CD1-CE1 4.12Å; F270-F659 HydrophobicContact CD1-CZ 4.18Å; F270-F659 AromaticContact CE1-CE1 3.82Å; F270-F659 HydrophobicContact CE1-CE1 3.82Å; F270-F659 HydrophobicContact CE1-CZ 4.28Å; F270-F659 HydrophobicContact CZ-CE1 4.12Å; L273-F659 HydrophobicContact CD1-CD2 4.11Å; L273-F659 HydrophobicContact CD1-CE1 4.27Å; L273-F659 HydrophobicContact CD1-CE2 3.16Å; L273-F659 HydrophobicContact CD1-CZ 3.25Å; L273-F659 HydrophobicContact CD2-CE2 3.95Å; L273-F659 HydrophobicContact CG-CE2 3.45Å; L273-F659 VanDerWaalsContact CG-CE2 3.45Å; L273-F659 HydrophobicContact CG-CZ 3.69Å; L655-F659 WeakPolarHBondContact O-CD2 3.23Å; L655-F659 PolarHBondContact O-N 2.69Å; F656-F659 HydrophobicContact CD1-CD2 4.11Å; F656-F659 HydrophobicContact CD1-CE2 4.44Å; F656-F659 WeakPolarHBondContact O-CB 3.34Å; F656-F659 PolarHBondContact O-N 3.48Å; F656-F659 VanDerWaalsContact O-N 3.15Å; F659-Y661 VanDerWaalsContact C-N 3.29Å; F659-Y661 PolarHBondContact O-N 3.41Å; F659-M662 HydrophobicContact CD1-CE 3.37Å; F659-M662 HydrophobicContact CE1-CE 3.75Å; F659-M662 HydrophobicContact CG-CE 4.38Å; F659-M662 PolarHBondContact O-N 3.07Å; F659-G663 PolarHBondContact O-N 3.03Å
660	L	87.3	Confident	82	Confident	5 Å²	5	18.9 Å²	18.9	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-44	174.1	-172.5	57.3	0	0	0	111.1	I380 T383 F384 F450 F453 F656 G657 G663 I664	I380-L660 HydrophobicContact CG1-CD1 4.31Å; I380-L660 HydrophobicContact CG2-CD1 4.2Å; T383-L660 HydrophobicContact CG2-CB 4.15Å; F384-L660 HydrophobicContact CE2-CD1 3.89Å; F384-L660 HydrophobicContact CZ-CD2 4.49Å; F450-L660 HydrophobicContact CE1-CD2 4.24Å; F453-L660 HydrophobicContact CB-CD2 4.34Å; F453-L660 HydrophobicContact CD1-CD2 4.19Å; F453-L660 HydrophobicContact CD2-CB 4Å; F453-L660 HydrophobicContact CD2-CD2 3.99Å; F453-L660 HydrophobicContact CD2-CG 3.79Å; F453-L660 HydrophobicContact CE2-CD2 4.4Å; F453-L660 HydrophobicContact CE2-CG 4.02Å; F453-L660 HydrophobicContact CG-CB 4.48Å; F453-L660 HydrophobicContact CG-CD2 3.89Å; F453-L660 HydrophobicContact CG-CG 4.21Å; F656-L660 PolarHBondContact O-N 3.31Å; G657-L660 PolarHBondContact O-N 3.21Å; L660-G663 PolarHBondContact O-N 3.17Å; L660-I664 HydrophobicContact CD1-CD1 3.91Å; L660-I664 HydrophobicContact CD1-CG1 4.42Å; L660-I664 HydrophobicContact CG-CD1 4.01Å; L660-I664 WeakPolarHBondContact O-CG1 3.24Å; L660-I664 PolarHBondContact O-N 3.5Å
661	Y	86.2	Confident	81.9	Confident	30 Å²	30	19.1 Å²	19.1	12%	0.118	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-52	174.7	168	-95.3	0	0	0	110.6	A456 R460 V481 G657 I658 F659 G663 I664 T665	A456-Y661 HydrophobicContact CB-CD2 3.85Å; A456-Y661 HydrophobicContact CB-CE2 4.2Å; A456-Y661 HydrophobicContact CB-CG 4.04Å; R460-Y661 HydrophobicContact CB-CE2 4.12Å; R460-Y661 WeakPolarHBondContact CD-OH 3.47Å; V481-Y661 HydrophobicContact CG2-CD1 3.82Å; V481-Y661 HydrophobicContact CG2-CE1 3.44Å; V481-Y661 VanDerWaalsContact CG2-CE1 3.44Å; G657-Y661 PolarHBondContact O-N 3.15Å; I658-Y661 WeakPolarHBondContact O-CB 3.46Å; I658-Y661 PolarHBondContact O-N 3.32Å; F659-Y661 VanDerWaalsContact C-N 3.29Å; F659-Y661 PolarHBondContact O-N 3.41Å; Y661-G663 VanDerWaalsContact C-N 3.33Å; Y661-G663 PolarHBondContact O-N 3.36Å; Y661-I664 PolarHBondContact O-N 3.01Å; Y661-T665 HydrophobicContact CD1-CG2 4.4Å; Y661-T665 HydrophobicContact CD2-CG2 3.63Å; Y661-T665 HydrophobicContact CE1-CG2 4.17Å; Y661-T665 HydrophobicContact CE2-CG2 3.36Å; Y661-T665 HydrophobicContact CG-CG2 4.14Å; Y661-T665 VanDerWaalsContact O-CB 3.26Å; Y661-T665 WeakPolarHBondContact O-CB 3.48Å; Y661-T665 WeakPolarHBondContact O-CG2 3.33Å; Y661-T665 PolarHBondContact O-N 3.38Å; Y661-T665 PolarHBondContact O-OG1 3.2Å
662	M	77.2	Confident	81.9	Confident	41 Å²	41	19.1 Å²	19.1	20%	0.202	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-41.7	179.6	-72	-170.6	-62.2	0	0	112.2	P266 I658 F659 T665 S666	P266-M662 HydrophobicContact CG-SD 4.42Å; I658-M662 HydrophobicContact CG2-CE 4.13Å; I658-M662 HydrophobicContact CG2-CG 4.4Å; I658-M662 HydrophobicContact CG2-SD 4.46Å; I658-M662 WeakPolarHBondContact O-CG 3.28Å; I658-M662 PolarHBondContact O-N 2.87Å; F659-M662 HydrophobicContact CD1-CE 3.37Å; F659-M662 HydrophobicContact CE1-CE 3.75Å; F659-M662 HydrophobicContact CG-CE 4.38Å; F659-M662 PolarHBondContact O-N 3.07Å; M662-T665 WeakPolarHBondContact CA-OG1 3.35Å; M662-T665 PolarHBondContact O-OG1 2.93Å; M662-S666 WeakPolarHBondContact O-CB 3.41Å; M662-S666 PolarHBondContact O-N 3Å; M662-S666 VanDerWaalsContact O-N 3.09Å; M662-S666 PolarHBondContact O-OG 2.93Å
663	G	78.6	Confident	82.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-38.5	178.8	0	0	0	0	0	114.2	S376 F659 L660 Y661 S666	S376-G663 WeakPolarHBondContact CB-O 3.15Å; F659-G663 PolarHBondContact O-N 3.03Å; L660-G663 PolarHBondContact O-N 3.17Å; Y661-G663 VanDerWaalsContact C-N 3.33Å; Y661-G663 PolarHBondContact O-N 3.36Å; G663-S666 PolarHBondContact O-OG 3.32Å
664	I	85.3	Confident	82.1	Confident	50 Å²	50	25.4 Å²	25.4	26%	0.256	15%	0.146	S	C	.	.	H	α-helix	trans	-75.7	-40.7	176.5	-68.9	170.1	0	0	0	110.5	I380 F453 L660 Y661 S666 L667	I380-I664 HydrophobicContact CD1-CG1 3.96Å; I380-I664 HydrophobicContact CG1-CG1 4.24Å; F453-I664 HydrophobicContact CE2-CD1 3.62Å; F453-I664 HydrophobicContact CZ-CD1 3.57Å; L660-I664 HydrophobicContact CD1-CD1 3.91Å; L660-I664 HydrophobicContact CD1-CG1 4.42Å; L660-I664 HydrophobicContact CG-CD1 4.01Å; L660-I664 WeakPolarHBondContact O-CG1 3.24Å; L660-I664 PolarHBondContact O-N 3.5Å; Y661-I664 PolarHBondContact O-N 3.01Å; I664-S666 VanDerWaalsContact C-N 3.3Å; I664-S666 PolarHBondContact O-N 2.94Å; I664-L667 PolarHBondContact O-N 2.82Å
665	T	77.4	Confident	82.1	Confident	17 Å²	17	25.4 Å²	25.4	10%	0.104	15%	0.146	C	C	.	.	H	α-helix	trans	-70.8	-24.3	-175.7	55.8	0	0	0	0	114.1	R460 Y661 M662 L667 N668	R460-T665 VanDerWaalsContact NH1-CA 3.34Å; R460-T665 PolarHBondContact NH1-O 3.08Å; Y661-T665 HydrophobicContact CD1-CG2 4.4Å; Y661-T665 HydrophobicContact CD2-CG2 3.63Å; Y661-T665 HydrophobicContact CE1-CG2 4.17Å; Y661-T665 HydrophobicContact CE2-CG2 3.36Å; Y661-T665 HydrophobicContact CG-CG2 4.14Å; Y661-T665 VanDerWaalsContact O-CB 3.26Å; Y661-T665 WeakPolarHBondContact O-CB 3.48Å; Y661-T665 WeakPolarHBondContact O-CG2 3.33Å; Y661-T665 PolarHBondContact O-N 3.38Å; Y661-T665 PolarHBondContact O-OG1 3.2Å; M662-T665 WeakPolarHBondContact CA-OG1 3.35Å; M662-T665 PolarHBondContact O-OG1 2.93Å; T665-L667 VanDerWaalsContact C-N 3.34Å; T665-N668 PolarHBondContact O-N 3.09Å
666	S	71.6	Confident	82.5	Confident	32 Å²	32	26.9 Å²	26.9	22%	0.224	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.4	174.7	54.6	0	0	0	0	114.3	S376 M662 G663 I664 N668 V670	S376-S666 WeakPolarHBondContact CB-OG 3.21Å; S376-S666 WeakPolarHBondContact OG-CB 3.11Å; S376-S666 PolarHBondContact OG-OG 3.29Å; M662-S666 WeakPolarHBondContact O-CB 3.41Å; M662-S666 PolarHBondContact O-N 3Å; M662-S666 VanDerWaalsContact O-N 3.09Å; M662-S666 PolarHBondContact O-OG 2.93Å; G663-S666 PolarHBondContact O-OG 3.32Å; I664-S666 VanDerWaalsContact C-N 3.3Å; I664-S666 PolarHBondContact O-N 2.94Å; S666-N668 VanDerWaalsContact C-N 3.33Å; S666-V670 WeakPolarHBondContact O-CG2 3.37Å
667	L	77.3	Confident	82.6	Confident	15 Å²	15	30.3 Å²	30.3	8%	0.079	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.8	172.9	-65.5	173	0	0	0	112.2	I373 I380 I664 T665 G669 V670 W673	I373-L667 HydrophobicContact CB-CD2 4.42Å; I373-L667 HydrophobicContact CG1-CD2 3.93Å; I373-L667 HydrophobicContact CG2-CD2 4.35Å; I380-L667 HydrophobicContact CD1-CD1 4.32Å; I664-L667 PolarHBondContact O-N 2.82Å; T665-L667 VanDerWaalsContact C-N 3.34Å; L667-G669 PolarHBondContact O-N 3.32Å; L667-V670 PolarHBondContact O-N 2.84Å; L667-W673 HydrophobicContact CB-CD2 4.17Å; L667-W673 HydrophobicContact CB-CG 4.13Å; L667-W673 HydrophobicContact CD1-CD2 4.29Å; L667-W673 HydrophobicContact CD1-CE3 4.3Å; L667-W673 HydrophobicContact CD1-CH2 4.08Å; L667-W673 HydrophobicContact CD1-CZ2 4.07Å; L667-W673 HydrophobicContact CD1-CZ3 4.2Å; L667-W673 HydrophobicContact CD2-CD2 4.25Å; L667-W673 HydrophobicContact CD2-CE3 4.06Å; L667-W673 HydrophobicContact CG-CD2 4.48Å
668	N	74.4	Confident	82.6	Confident	88 Å²	88	30.9 Å²	30.9	47%	0.471	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	121.7	179.8	-70.7	-6.1	0	0	0	110.8	R460 T665 S666	R460-N668 PolarHBondContact NH1-ND2 2.94Å; R460-N668 VanDerWaalsContact NH1-ND2 3.19Å; T665-N668 PolarHBondContact O-N 3.09Å; S666-N668 VanDerWaalsContact C-N 3.33Å
669	G	69.9	Low	82.7	Confident	73 Å²	73	33.9 Å²	33.9	75%	0.753	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.6	8.9	179.4	0	0	0	0	0	114.6	L667	L667-G669 PolarHBondContact O-N 3.32Å
670	V	79.1	Confident	83.3	Confident	12 Å²	12	40.8 Å²	40.8	7%	0.073	23%	0.226	C	C	.	.			trans	-93.1	117.6	169.6	-176.9	0	0	0	0	108.8	E369 I373 S666 L667 M672 W673 D674	E369-V670 HydrophobicContact CB-CG1 3.73Å; E369-V670 HydrophobicContact CG-CG1 3.77Å; I373-V670 HydrophobicContact CD1-CG1 3.83Å; I373-V670 HydrophobicContact CG1-CG1 3.97Å; S666-V670 WeakPolarHBondContact O-CG2 3.37Å; L667-V670 PolarHBondContact O-N 2.84Å; V670-M672 VanDerWaalsContact C-N 3.28Å; V670-M672 HydrophobicContact CG1-CB 4.19Å; V670-M672 PolarHBondContact O-N 3.19Å; V670-W673 HydrophobicContact CB-CB 4.16Å; V670-W673 WeakPolarHBondContact O-CA 3.3Å; V670-W673 WeakPolarHBondContact O-CB 3.49Å; V670-W673 PolarHBondContact O-N 3.06Å; V670-D674 PolarHBondContact O-N 3.23Å
671	Q	84.1	Confident	83.3	Confident	14 Å²	14	42.9 Å²	42.9	7%	0.065	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-34.8	-174.6	-166.3	-170.6	-18.5	0	0	111.7	R365 E369 W673 D674 R675 Y691	R365-Q671 VanDerWaalsContact CD-OE1 3.3Å; E369-Q671 WeakPolarHBondContact OE1-CA 3.39Å; E369-Q671 WeakPolarHBondContact OE1-CB 3.36Å; E369-Q671 PolarHBondContact OE1-N 3.34Å; Q671-W673 VanDerWaalsContact C-N 3.28Å; Q671-W673 PolarHBondContact O-N 3.48Å; Q671-D674 PolarHBondContact O-N 2.97Å; Q671-R675 WeakPolarHBondContact O-CB 3.49Å; Q671-R675 VanDerWaalsContact O-CG 3.31Å; Q671-R675 WeakPolarHBondContact O-CG 3.4Å; Q671-R675 PolarHBondContact O-N 2.91Å; Q671-Y691 HydrophobicContact CG-CD1 4.22Å; Q671-Y691 HydrophobicContact CG-CE1 3.91Å
672	M	87.8	Confident	83.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-39.9	171.3	178.3	178.9	166.7	0	0	111.9	E369 I370 I373 V670 R675 I676 Q707 I708 L711	E369-M672 HydrophobicContact CB-CB 3.81Å; E369-M672 VanDerWaalsContact OE2-CB 3.28Å; E369-M672 WeakPolarHBondContact OE2-CB 3.27Å; E369-M672 PolarHBondContact OE2-N 3.18Å; I370-M672 HydrophobicContact CG1-CE 4.39Å; I370-M672 HydrophobicContact CG1-SD 3.77Å; I373-M672 HydrophobicContact CD1-CB 3.64Å; I373-M672 HydrophobicContact CD1-CE 4.09Å; I373-M672 HydrophobicContact CD1-CG 3.47Å; I373-M672 VanDerWaalsContact CD1-CG 3.47Å; I373-M672 HydrophobicContact CD1-SD 3.62Å; V670-M672 VanDerWaalsContact C-N 3.28Å; V670-M672 HydrophobicContact CG1-CB 4.19Å; V670-M672 PolarHBondContact O-N 3.19Å; M672-R675 PolarHBondContact O-N 3.11Å; M672-I676 HydrophobicContact CE-CD1 3.98Å; M672-I676 HydrophobicContact CG-CD1 4.04Å; M672-I676 HydrophobicContact CG-CG1 4.49Å; M672-I676 WeakPolarHBondContact O-CG1 3.33Å; M672-I676 PolarHBondContact O-N 2.7Å; M672-Q707 HydrophobicContact CE-CB 3.59Å; M672-Q707 HydrophobicContact CG-CB 4.36Å; M672-Q707 HydrophobicContact SD-CB 3.73Å; M672-Q707 HydrophobicContact SD-CG 4.29Å; M672-I708 HydrophobicContact CE-CG1 4.49Å; M672-L711 HydrophobicContact CE-CB 4.36Å; M672-L711 HydrophobicContact CE-CD2 4.17Å
673	W	88.6	Confident	83.6	Confident	79 Å²	79	49.8 Å²	49.8	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-44.6	177.2	-179.4	-106.5	0	0	0	111.3	I373 L667 V670 Q671 R675 I676 L677	I373-W673 HydrophobicContact CD1-CB 4.18Å; L667-W673 HydrophobicContact CB-CD2 4.17Å; L667-W673 HydrophobicContact CB-CG 4.13Å; L667-W673 HydrophobicContact CD1-CD2 4.29Å; L667-W673 HydrophobicContact CD1-CE3 4.3Å; L667-W673 HydrophobicContact CD1-CH2 4.08Å; L667-W673 HydrophobicContact CD1-CZ2 4.07Å; L667-W673 HydrophobicContact CD1-CZ3 4.2Å; L667-W673 HydrophobicContact CD2-CD2 4.25Å; L667-W673 HydrophobicContact CD2-CE3 4.06Å; L667-W673 HydrophobicContact CG-CD2 4.48Å; V670-W673 HydrophobicContact CB-CB 4.16Å; V670-W673 WeakPolarHBondContact O-CA 3.3Å; V670-W673 WeakPolarHBondContact O-CB 3.49Å; V670-W673 PolarHBondContact O-N 3.06Å; Q671-W673 VanDerWaalsContact C-N 3.28Å; Q671-W673 PolarHBondContact O-N 3.48Å; W673-R675 VanDerWaalsContact C-N 3.29Å; W673-R675 PolarHBondContact O-N 3.14Å; W673-I676 HydrophobicContact CE3-CD1 4.35Å; W673-I676 WeakPolarHBondContact O-CB 3.46Å; W673-I676 PolarHBondContact O-N 3.44Å; W673-I676 VanDerWaalsContact O-N 3.12Å; W673-L677 HydrophobicContact CZ2-CD2 4.47Å; W673-L677 WeakPolarHBondContact O-CG 3.46Å; W673-L677 PolarHBondContact O-N 2.96Å
674	D	86.7	Confident	83.9	Confident	62 Å²	62	58.5 Å²	58.5	33%	0.332	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-41.3	174.9	-62	-30	0	0	0	111	V670 Q671 L677 L678	V670-D674 PolarHBondContact O-N 3.23Å; Q671-D674 PolarHBondContact O-N 2.97Å; D674-L677 WeakPolarHBondContact O-CB 3.48Å; D674-L677 PolarHBondContact O-N 3.49Å; D674-L678 VanDerWaalsContact O-CG 3.31Å; D674-L678 WeakPolarHBondContact O-CG 3.35Å; D674-L678 PolarHBondContact O-N 3.16Å
675	R	89.3	Confident	83.8	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67	-33.1	174.7	-74	-175.3	-68.2	-162.1	-5.9	113.7	E369 Q671 M672 W673 L677 L678 L679 Y691 F703 T704 L753	E369-R675 IonicContact OE2-NH2 2.79Å; E369-R675 PolarHBondContact OE2-NH2 2.87Å; Q671-R675 WeakPolarHBondContact O-CB 3.49Å; Q671-R675 VanDerWaalsContact O-CG 3.31Å; Q671-R675 WeakPolarHBondContact O-CG 3.4Å; Q671-R675 PolarHBondContact O-N 2.91Å; M672-R675 PolarHBondContact O-N 3.11Å; W673-R675 VanDerWaalsContact C-N 3.29Å; W673-R675 PolarHBondContact O-N 3.14Å; R675-L677 VanDerWaalsContact C-N 3.34Å; R675-L678 PolarHBondContact O-N 3.35Å; R675-L679 PolarHBondContact O-N 3.25Å; R675-Y691 HydrophobicContact CG-CD2 4.22Å; R675-Y691 HydrophobicContact CG-CE2 4.09Å; R675-F703 VanDerWaalsContact NH1-CD1 3.32Å; R675-T704 HydrophobicContact CB-CG2 4.05Å; R675-L753 PolarHBondContact NH1-O 2.96Å
676	I	91	Very high	84	Confident	32 Å²	32	65 Å²	65	16%	0.164	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-44.2	172.1	-72.2	163.1	0	0	0	109.4	I373 M672 W673 L678 L679 T704 I708	I373-I676 HydrophobicContact CD1-CD1 4.23Å; M672-I676 HydrophobicContact CE-CD1 3.98Å; M672-I676 HydrophobicContact CG-CD1 4.04Å; M672-I676 HydrophobicContact CG-CG1 4.49Å; M672-I676 WeakPolarHBondContact O-CG1 3.33Å; M672-I676 PolarHBondContact O-N 2.7Å; W673-I676 HydrophobicContact CE3-CD1 4.35Å; W673-I676 WeakPolarHBondContact O-CB 3.46Å; W673-I676 PolarHBondContact O-N 3.44Å; W673-I676 VanDerWaalsContact O-N 3.12Å; I676-L678 VanDerWaalsContact C-N 3.29Å; I676-L678 PolarHBondContact O-N 3.37Å; I676-L679 VanDerWaalsContact O-CB 3.31Å; I676-L679 WeakPolarHBondContact O-CB 3.49Å; I676-L679 PolarHBondContact O-N 3.06Å; I676-L679 VanDerWaalsContact O-N 3.14Å; I676-T704 HydrophobicContact CG1-CG2 3.83Å; I676-I708 HydrophobicContact CD1-CG1 4.3Å; I676-I708 HydrophobicContact CG1-CD1 4.08Å; I676-I708 HydrophobicContact CG1-CG1 4.14Å
677	L	89.1	Confident	84.4	Confident	79 Å²	79	65.6 Å²	65.6	41%	0.414	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-35.3	174.5	-64.1	174.6	0	0	0	111.9	W673 D674 R675 L679 I680 T681	W673-L677 HydrophobicContact CZ2-CD2 4.47Å; W673-L677 WeakPolarHBondContact O-CG 3.46Å; W673-L677 PolarHBondContact O-N 2.96Å; D674-L677 WeakPolarHBondContact O-CB 3.48Å; D674-L677 PolarHBondContact O-N 3.49Å; R675-L677 VanDerWaalsContact C-N 3.34Å; L677-L679 PolarHBondContact O-N 3.27Å; L677-I680 PolarHBondContact O-N 2.95Å; L677-I680 VanDerWaalsContact O-N 3.14Å; L677-T681 PolarHBondContact O-N 2.85Å; L677-T681 VanDerWaalsContact O-N 3.11Å; L677-T681 PolarHBondContact O-OG1 3.22Å
678	L	89.1	Confident	84.2	Confident	12 Å²	12	70.1 Å²	70.1	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-66.6	-18.1	174.3	-68.6	174.4	0	0	0	114.2	D674 R675 I676 I680 T681 P687 Y691 M700	D674-L678 VanDerWaalsContact O-CG 3.31Å; D674-L678 WeakPolarHBondContact O-CG 3.35Å; D674-L678 PolarHBondContact O-N 3.16Å; R675-L678 PolarHBondContact O-N 3.35Å; I676-L678 VanDerWaalsContact C-N 3.29Å; I676-L678 PolarHBondContact O-N 3.37Å; L678-I680 PolarHBondContact O-N 3.3Å; L678-T681 HydrophobicContact CD2-CG2 4.34Å; L678-T681 PolarHBondContact O-N 3.01Å; L678-P687 HydrophobicContact CD1-CG 4.42Å; L678-Y691 HydrophobicContact CD1-CE2 3.84Å; L678-M700 HydrophobicContact CB-CE 4.23Å; L678-M700 HydrophobicContact CD1-CE 4.39Å; L678-M700 HydrophobicContact CD1-SD 4.36Å
679	L	88.8	Confident	84.2	Confident	65 Å²	65	69.4 Å²	69.4	34%	0.34	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.8	171.4	-70.3	163.7	0	0	0	112	R675 I676 L677 H701 T704 I708	R675-L679 PolarHBondContact O-N 3.25Å; I676-L679 VanDerWaalsContact O-CB 3.31Å; I676-L679 WeakPolarHBondContact O-CB 3.49Å; I676-L679 PolarHBondContact O-N 3.06Å; I676-L679 VanDerWaalsContact O-N 3.14Å; L677-L679 PolarHBondContact O-N 3.27Å; L679-H701 HydrophobicContact CD2-CB 3.81Å; L679-H701 VanDerWaalsContact CD2-ND1 3.25Å; L679-H701 WeakPolarHBondContact CD2-ND1 3.31Å; L679-T704 HydrophobicContact CD1-CG2 3.93Å; L679-T704 HydrophobicContact CG-CG2 4.45Å; L679-I708 HydrophobicContact CD1-CD1 3.67Å
680	I	90.2	Very high	84.1	Confident	151 Å²	151	67.3 Å²	67.3	77%	0.774	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-16.2	-176.8	-51.5	172	0	0	0	110.7	L677 L678	L677-I680 PolarHBondContact O-N 2.95Å; L677-I680 VanDerWaalsContact O-N 3.14Å; L678-I680 PolarHBondContact O-N 3.3Å
681	T	87.3	Confident	83.9	Confident	49 Å²	49	67.8 Å²	67.8	30%	0.301	35%	0.345	S	S	.	.	S	Bend	trans	-83.2	134	-178.3	-55.6	0	0	0	0	111	L677 L678	L677-T681 PolarHBondContact O-N 2.85Å; L677-T681 VanDerWaalsContact O-N 3.11Å; L677-T681 PolarHBondContact O-OG1 3.22Å; L678-T681 HydrophobicContact CD2-CG2 4.34Å; L678-T681 PolarHBondContact O-N 3.01Å
682	P	87.9	Confident	83.3	Confident	78 Å²	78	67.7 Å²	67.7	51%	0.506	35%	0.347	S	S	.	.			trans	-67.1	147.4	176	2	5.3	0	0	0	111.8	K684 Y685	P682-K684 PolarHBondContact O-N 2.72Å; P682-Y685 HydrophobicContact CB-CD2 4.33Å; P682-Y685 HydrophobicContact CG-CD2 3.82Å; P682-Y685 HydrophobicContact CG-CE2 4.16Å; P682-Y685 PolarHBondContact O-N 3.31Å
683	K	82.4	Confident	82.6	Confident	137 Å²	137	71.9 Å²	71.9	60%	0.596	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-50.5	-29.9	-177.4	-66.2	-170.4	-176.9	-175.5	0	115.2	Y685 H686 T697	K683-Y685 PolarHBondContact O-N 3.14Å; K683-H686 WeakPolarHBondContact O-CB 3.31Å; K683-H686 PolarHBondContact O-N 2.96Å; K683-T697 HydrophobicContact CD-CG2 4.27Å; K683-T697 HydrophobicContact CG-CG2 4.24Å
684	K	84.3	Confident	81.9	Confident	184 Å²	184	75.8 Å²	75.8	80%	0.8	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.8	179	-173.8	177.1	178.5	-178.3	0	113.3	P682	P682-K684 PolarHBondContact O-N 2.72Å
685	Y	83.8	Confident	81.8	Confident	164 Å²	164	73.2 Å²	73.2	64%	0.643	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-101.4	15.2	-177.2	-62.3	-84	0	0	0	112.6	P682 K683	P682-Y685 HydrophobicContact CB-CD2 4.33Å; P682-Y685 HydrophobicContact CG-CD2 3.82Å; P682-Y685 HydrophobicContact CG-CE2 4.16Å; P682-Y685 PolarHBondContact O-N 3.31Å; K683-Y685 PolarHBondContact O-N 3.14Å
686	H	81.9	Confident	81.5	Confident	38 Å²	38	80.9 Å²	80.9	18%	0.176	41%	0.407	C	S	.	.			trans	-65.4	137.7	176.1	-79	-154.8	0	0	0	110.8	K683 A692	K683-H686 WeakPolarHBondContact O-CB 3.31Å; K683-H686 PolarHBondContact O-N 2.96Å; H686-A692 HydrophobicContact CB-CB 4.49Å
687	P	80.4	Confident	81.3	Confident	45 Å²	45	80.6 Å²	80.6	29%	0.292	41%	0.407	S	S	.	.			trans	-68.6	160.8	176.4	30.3	-35.3	0	0	0	111	L678 D689 A692	L678-P687 HydrophobicContact CD1-CG 4.42Å; P687-D689 PolarHBondContact O-N 3.2Å; P687-D689 VanDerWaalsContact O-N 3.08Å; P687-A692 HydrophobicContact CG-CB 4.17Å; P687-A692 WeakPolarHBondContact O-CB 3.49Å
688	S	71.8	Confident	81.2	Confident	110 Å²	110	83.3 Å²	83.3	77%	0.769	42%	0.419	S	S	*	.	S	Bend	trans	-75.4	14.2	178.5	59	0	0	0	0	114.2
689	D	75.2	Confident	81.2	Confident	73 Å²	73	87.7 Å²	87.7	39%	0.39	44%	0.435	S	S	.	.	S	Bend	trans	-75	152.2	-175.8	-64.2	-43.2	0	0	0	111.4	P687 Y691 A692 T693	P687-D689 PolarHBondContact O-N 3.2Å; P687-D689 VanDerWaalsContact O-N 3.08Å; D689-Y691 HydrophobicContact CB-CD1 3.7Å; D689-Y691 HydrophobicContact CB-CE1 3.31Å; D689-Y691 PolarHBondContact O-N 3.41Å; D689-Y691 PolarHBondContact OD2-OH 2.94Å; D689-A692 PolarHBondContact O-N 2.94Å; D689-T693 PolarHBondContact O-N 3.43Å; D689-T693 PolarHBondContact O-OG1 3.45Å
690	A	67.9	Low	81.2	Confident	29 Å²	29	84.7 Å²	84.7	24%	0.24	42%	0.419	C	S	.	.	H	α-helix	trans	-57.1	-35.9	-173.4	0	0	0	0	0	113.2	A692 R694 V760	A690-A692 VanDerWaalsContact C-N 3.3Å; A690-A692 PolarHBondContact O-N 2.86Å; A690-R694 WeakPolarHBondContact O-CB 3.18Å; A690-R694 PolarHBondContact O-N 3.49Å; A690-V760 HydrophobicContact CB-CG2 3.89Å
691	Y	74.4	Confident	81.2	Confident	23 Å²	23	79.5 Å²	79.5	9%	0.09	39%	0.391	C	S	.	.	H	α-helix	trans	-70.8	-23.6	178.1	64.1	-96	0	0	0	113.8	Q671 R675 L678 D689 M700	Q671-Y691 HydrophobicContact CG-CD1 4.22Å; Q671-Y691 HydrophobicContact CG-CE1 3.91Å; R675-Y691 HydrophobicContact CG-CD2 4.22Å; R675-Y691 HydrophobicContact CG-CE2 4.09Å; L678-Y691 HydrophobicContact CD1-CE2 3.84Å; D689-Y691 HydrophobicContact CB-CD1 3.7Å; D689-Y691 HydrophobicContact CB-CE1 3.31Å; D689-Y691 PolarHBondContact O-N 3.41Å; D689-Y691 PolarHBondContact OD2-OH 2.94Å; Y691-M700 HydrophobicContact CD2-SD 4.17Å
692	A	71.4	Confident	81.4	Confident	12 Å²	12	81.1 Å²	81.1	10%	0.099	40%	0.398	C	S	.	.	H	α-helix	trans	-96	-25.7	-179	0	0	0	0	0	112.8	H686 P687 D689 A690	H686-A692 HydrophobicContact CB-CB 4.49Å; P687-A692 HydrophobicContact CG-CB 4.17Å; P687-A692 WeakPolarHBondContact O-CB 3.49Å; D689-A692 PolarHBondContact O-N 2.94Å; A690-A692 VanDerWaalsContact C-N 3.3Å; A690-A692 PolarHBondContact O-N 2.86Å
693	T	73.3	Confident	81.6	Confident	88 Å²	88	77.4 Å²	77.4	54%	0.54	37%	0.373	S	S	.	.	H	α-helix	trans	-97.6	-41.1	-176.6	50	0	0	0	0	113.5	D689	D689-T693 PolarHBondContact O-N 3.43Å; D689-T693 PolarHBondContact O-OG1 3.45Å
694	R	74.1	Confident	82.1	Confident	161 Å²	161	70.9 Å²	70.9	61%	0.608	35%	0.345	S	S	*	.	S	Bend	trans	-93.1	-18.8	-173.6	-59.5	-168.9	177.2	-155	-1.8	114.2	A690	A690-R694 WeakPolarHBondContact O-CB 3.18Å; A690-R694 PolarHBondContact O-N 3.49Å
695	V	83.8	Confident	82.6	Confident	8 Å²	8	67.5 Å²	67.5	5%	0.048	34%	0.335	C	S	.	.	S	Bend	trans	-104.1	138.1	179.6	-174.6	0	0	0	0	110.2	T697 R699 E749 C752 L753	V695-T697 PolarHBondContact O-N 3.14Å; V695-R699 HydrophobicContact CG1-CB 3.97Å; V695-E749 HydrophobicContact CG1-CG 4.25Å; V695-C752 HydrophobicContact CG2-CB 3.59Å; V695-L753 HydrophobicContact CG1-CD1 4.37Å; V695-L753 HydrophobicContact CG2-CG 4.33Å
696	K	84.6	Confident	83	Confident	160 Å²	160	61.2 Å²	61.2	70%	0.696	31%	0.312	S	S	*	.			trans	-58.1	133.5	175.8	-68.6	178.6	-179.8	173.9	0	110.2	M698 R699 M700	K696-M698 VanDerWaalsContact C-N 3.27Å; K696-M698 PolarHBondContact O-N 3.11Å; K696-M698 VanDerWaalsContact O-N 3.12Å; K696-R699 HydrophobicContact CB-CB 4.41Å; K696-R699 HydrophobicContact CB-CG 4.15Å; K696-R699 WeakPolarHBondContact O-CB 3.43Å; K696-R699 PolarHBondContact O-N 3.39Å; K696-M700 PolarHBondContact O-N 3.38Å; K696-M700 VanDerWaalsContact O-N 3.08Å
697	T	85.1	Confident	83.6	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.16	30%	0.304	C	S	.	.	H	α-helix	trans	-52.5	-41.1	-175.9	-42.4	0	0	0	0	113.6	K683 V695 R699 M700 H701	K683-T697 HydrophobicContact CD-CG2 4.27Å; K683-T697 HydrophobicContact CG-CG2 4.24Å; V695-T697 PolarHBondContact O-N 3.14Å; T697-R699 PolarHBondContact O-N 2.94Å; T697-M700 HydrophobicContact CG2-CE 4.44Å; T697-M700 PolarHBondContact O-N 3.1Å; T697-H701 WeakPolarHBondContact CG2-NE2 3.39Å; T697-H701 PolarHBondContact O-CD2 2.79Å; T697-H701 VanDerWaalsContact O-CG 3.26Å; T697-H701 PolarHBondContact O-N 3.13Å
698	M	87.1	Confident	84.2	Confident	136 Å²	136	60.4 Å²	60.4	67%	0.67	31%	0.306	S	S	*	.	H	α-helix	trans	-67.2	-35.8	179	-62.4	-59.7	-103.8	0	0	112.5	K696 H701 I702	K696-M698 VanDerWaalsContact C-N 3.27Å; K696-M698 PolarHBondContact O-N 3.11Å; K696-M698 VanDerWaalsContact O-N 3.12Å; M698-H701 PolarHBondContact O-N 3.23Å; M698-I702 VanDerWaalsContact O-CG1 3.28Å; M698-I702 WeakPolarHBondContact O-CG1 3.43Å; M698-I702 PolarHBondContact O-N 3.3Å
699	R	89.1	Confident	85.3	Confident	105 Å²	105	60.6 Å²	60.6	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-43.8	176.1	-69	-81.6	-179.9	178.4	-0.5	110.2	V695 K696 T697 H701 I702 F703 I744 F745	V695-R699 HydrophobicContact CG1-CB 3.97Å; K696-R699 HydrophobicContact CB-CB 4.41Å; K696-R699 HydrophobicContact CB-CG 4.15Å; K696-R699 WeakPolarHBondContact O-CB 3.43Å; K696-R699 PolarHBondContact O-N 3.39Å; T697-R699 PolarHBondContact O-N 2.94Å; R699-H701 VanDerWaalsContact C-N 3.34Å; R699-H701 PolarHBondContact O-N 2.94Å; R699-I702 PolarHBondContact O-N 3.21Å; R699-F703 PolarHBondContact O-N 2.69Å; R699-I744 PolarHBondContact NH1-O 3.26Å; R699-F745 HydrophobicContact CB-CE1 4.08Å; R699-F745 WeakPolarHBondContact O-CE1 3.42Å
700	M	89.1	Confident	86.2	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-46.1	172.6	-177.3	-170.6	71.4	0	0	111.4	L678 Y691 K696 T697 F703 T704 L753	L678-M700 HydrophobicContact CB-CE 4.23Å; L678-M700 HydrophobicContact CD1-CE 4.39Å; L678-M700 HydrophobicContact CD1-SD 4.36Å; Y691-M700 HydrophobicContact CD2-SD 4.17Å; K696-M700 PolarHBondContact O-N 3.38Å; K696-M700 VanDerWaalsContact O-N 3.08Å; T697-M700 HydrophobicContact CG2-CE 4.44Å; T697-M700 PolarHBondContact O-N 3.1Å; M700-F703 WeakPolarHBondContact O-CB 3.2Å; M700-F703 PolarHBondContact O-N 3.38Å; M700-T704 PolarHBondContact O-N 3.4Å; M700-T704 PolarHBondContact O-OG1 3.29Å; M700-L753 HydrophobicContact CG-CD2 4.25Å
701	H	90.7	Very high	87.4	Confident	41 Å²	41	57.3 Å²	57.3	19%	0.19	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-40.4	178.8	-64.9	-39.5	0	0	0	113.2	L679 T697 M698 R699 F703 T704 L705	L679-H701 HydrophobicContact CD2-CB 3.81Å; L679-H701 VanDerWaalsContact CD2-ND1 3.25Å; L679-H701 WeakPolarHBondContact CD2-ND1 3.31Å; T697-H701 WeakPolarHBondContact CG2-NE2 3.39Å; T697-H701 PolarHBondContact O-CD2 2.79Å; T697-H701 VanDerWaalsContact O-CG 3.26Å; T697-H701 PolarHBondContact O-N 3.13Å; M698-H701 PolarHBondContact O-N 3.23Å; R699-H701 VanDerWaalsContact C-N 3.34Å; R699-H701 PolarHBondContact O-N 2.94Å; H701-F703 VanDerWaalsContact C-N 3.31Å; H701-F703 PolarHBondContact O-N 3.29Å; H701-T704 PolarHBondContact O-N 2.96Å; H701-L705 VanDerWaalsContact O-CB 3.32Å; H701-L705 WeakPolarHBondContact O-CB 3.26Å; H701-L705 PolarHBondContact O-N 3.02Å
702	I	92.1	Very high	88.3	Confident	84 Å²	84	57.8 Å²	57.8	43%	0.431	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-43.7	174.4	-70	165.2	0	0	0	110.4	M698 R699 L705 I706 F745	M698-I702 VanDerWaalsContact O-CG1 3.28Å; M698-I702 WeakPolarHBondContact O-CG1 3.43Å; M698-I702 PolarHBondContact O-N 3.3Å; R699-I702 PolarHBondContact O-N 3.21Å; I702-L705 PolarHBondContact O-N 3.29Å; I702-I706 HydrophobicContact CG2-CD1 4Å; I702-I706 WeakPolarHBondContact O-CG1 3.48Å; I702-I706 PolarHBondContact O-N 3.28Å; I702-F745 HydrophobicContact CG2-CZ 4.2Å
703	F	92.2	Very high	89.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.8	-50.5	177	-176	-88.7	0	0	0	111.5	F366 R675 R699 M700 H701 L705 I706 Q707 M740 F745 M750 L753	F366-F703 HydrophobicContact CD2-CE1 4Å; F366-F703 HydrophobicContact CD2-CE2 4.02Å; F366-F703 AromaticContact CD2-CZ 3.46Å; F366-F703 HydrophobicContact CD2-CZ 3.46Å; F366-F703 VanDerWaalsContact CD2-CZ 3.46Å; F366-F703 HydrophobicContact CE2-CE1 4.42Å; F366-F703 HydrophobicContact CE2-CE2 4.28Å; F366-F703 HydrophobicContact CE2-CZ 4.04Å; R675-F703 VanDerWaalsContact NH1-CD1 3.32Å; R699-F703 PolarHBondContact O-N 2.69Å; M700-F703 WeakPolarHBondContact O-CB 3.2Å; M700-F703 PolarHBondContact O-N 3.38Å; H701-F703 VanDerWaalsContact C-N 3.31Å; H701-F703 PolarHBondContact O-N 3.29Å; F703-L705 VanDerWaalsContact C-N 3.31Å; F703-L705 PolarHBondContact O-N 3.04Å; F703-I706 PolarHBondContact O-N 2.79Å; F703-Q707 HydrophobicContact CD1-CG 4.31Å; F703-Q707 VanDerWaalsContact CE1-CD 3.43Å; F703-Q707 HydrophobicContact CE1-CG 4.07Å; F703-Q707 PolarHBondContact O-N 3.11Å; F703-Q707 VanDerWaalsContact O-N 3.08Å; F703-M740 HydrophobicContact CD2-CE 4.01Å; F703-M740 HydrophobicContact CE2-CE 4.29Å; F703-F745 HydrophobicContact CB-CE1 4.12Å; F703-F745 HydrophobicContact CB-CE2 4.37Å; F703-F745 HydrophobicContact CB-CZ 3.68Å; F703-F745 HydrophobicContact CD2-CD2 4.42Å; F703-F745 AromaticContact CD2-CE2 3.98Å; F703-F745 HydrophobicContact CD2-CE2 3.98Å; F703-F745 HydrophobicContact CD2-CZ 4.06Å; F703-F745 HydrophobicContact CG-CZ 4.39Å; F703-M750 HydrophobicContact CE2-CE 4.27Å; F703-M750 HydrophobicContact CE2-SD 3.97Å; F703-L753 HydrophobicContact CB-CD1 4.12Å; F703-L753 HydrophobicContact CD2-CD1 3.91Å; F703-L753 HydrophobicContact CE1-CB 4.45Å; F703-L753 HydrophobicContact CE2-CB 4.33Å; F703-L753 HydrophobicContact CE2-CD1 4.43Å; F703-L753 HydrophobicContact CG-CD1 3.96Å; F703-L753 HydrophobicContact CZ-CB 4.23Å
704	T	93	Very high	90.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-37.2	178.4	-48.5	0	0	0	0	111.8	R675 I676 L679 M700 H701 Q707 I708	R675-T704 HydrophobicContact CB-CG2 4.05Å; I676-T704 HydrophobicContact CG1-CG2 3.83Å; L679-T704 HydrophobicContact CD1-CG2 3.93Å; L679-T704 HydrophobicContact CG-CG2 4.45Å; M700-T704 PolarHBondContact O-N 3.4Å; M700-T704 PolarHBondContact O-OG1 3.29Å; H701-T704 PolarHBondContact O-N 2.96Å; T704-Q707 WeakPolarHBondContact O-CB 3.37Å; T704-Q707 PolarHBondContact O-N 3.11Å; T704-I708 HydrophobicContact CG2-CD1 4.24Å; T704-I708 VanDerWaalsContact O-CG1 3.32Å; T704-I708 WeakPolarHBondContact O-CG1 3.44Å; T704-I708 PolarHBondContact O-N 3.28Å
705	L	93.6	Very high	90.8	Very high	112 Å²	112	51.1 Å²	51.1	59%	0.586	26%	0.258	S	S	*	.	H	α-helix	trans	-65.4	-39.7	178	-164.3	155	0	0	0	111.5	H701 I702 F703 Q707 I708 L709	H701-L705 VanDerWaalsContact O-CB 3.32Å; H701-L705 WeakPolarHBondContact O-CB 3.26Å; H701-L705 PolarHBondContact O-N 3.02Å; I702-L705 PolarHBondContact O-N 3.29Å; F703-L705 VanDerWaalsContact C-N 3.31Å; F703-L705 PolarHBondContact O-N 3.04Å; L705-Q707 VanDerWaalsContact C-N 3.33Å; L705-Q707 PolarHBondContact O-N 3.47Å; L705-I708 PolarHBondContact O-N 3.02Å; L705-L709 WeakPolarHBondContact O-CB 3.41Å; L705-L709 PolarHBondContact O-N 3.49Å
706	I	93.2	Very high	91.1	Very high	32 Å²	32	56.7 Å²	56.7	16%	0.164	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-41.8	172.5	-66.4	166.2	0	0	0	110.7	I702 F703 L709 C710 M740	I702-I706 HydrophobicContact CG2-CD1 4Å; I702-I706 WeakPolarHBondContact O-CG1 3.48Å; I702-I706 PolarHBondContact O-N 3.28Å; F703-I706 PolarHBondContact O-N 2.79Å; I706-L709 WeakPolarHBondContact O-CB 3.3Å; I706-L709 PolarHBondContact O-N 3.5Å; I706-C710 PolarHBondContact O-N 3.46Å; I706-C710 PolarHBondContact O-SG 3.39Å; I706-M740 HydrophobicContact CB-CE 4.27Å; I706-M740 HydrophobicContact CD1-CE 3.61Å; I706-M740 HydrophobicContact CD1-SD 4.48Å; I706-M740 HydrophobicContact CG2-CE 3.92Å; I706-M740 HydrophobicContact CG2-SD 3.85Å
707	Q	93.4	Very high	91.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-43.8	175.1	-68.8	-175.4	-57.8	0	0	112.3	F366 I370 M672 F703 T704 L705 L709 C710 L711	F366-Q707 HydrophobicContact CD2-CG 3.69Å; F366-Q707 HydrophobicContact CE2-CB 4.49Å; F366-Q707 HydrophobicContact CE2-CG 3.27Å; F366-Q707 HydrophobicContact CZ-CG 4.07Å; I370-Q707 HydrophobicContact CD1-CB 4.36Å; I370-Q707 HydrophobicContact CD1-CG 4.26Å; I370-Q707 HydrophobicContact CG1-CB 4.28Å; I370-Q707 HydrophobicContact CG1-CG 4.41Å; M672-Q707 HydrophobicContact CE-CB 3.59Å; M672-Q707 HydrophobicContact CG-CB 4.36Å; M672-Q707 HydrophobicContact SD-CB 3.73Å; M672-Q707 HydrophobicContact SD-CG 4.29Å; F703-Q707 HydrophobicContact CD1-CG 4.31Å; F703-Q707 VanDerWaalsContact CE1-CD 3.43Å; F703-Q707 HydrophobicContact CE1-CG 4.07Å; F703-Q707 PolarHBondContact O-N 3.11Å; F703-Q707 VanDerWaalsContact O-N 3.08Å; T704-Q707 WeakPolarHBondContact O-CB 3.37Å; T704-Q707 PolarHBondContact O-N 3.11Å; L705-Q707 VanDerWaalsContact C-N 3.33Å; L705-Q707 PolarHBondContact O-N 3.47Å; Q707-L709 VanDerWaalsContact C-N 3.31Å; Q707-L709 PolarHBondContact O-N 2.99Å; Q707-C710 PolarHBondContact O-N 3.49Å; Q707-L711 WeakPolarHBondContact O-CB 3.17Å; Q707-L711 PolarHBondContact O-N 2.93Å
708	I	94.5	Very high	91	Very high	67 Å²	67	49.9 Å²	49.9	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-40.4	176	-67.5	166.9	0	0	0	110.6	M672 I676 L679 T704 L705 L711 G712	M672-I708 HydrophobicContact CE-CG1 4.49Å; I676-I708 HydrophobicContact CD1-CG1 4.3Å; I676-I708 HydrophobicContact CG1-CD1 4.08Å; I676-I708 HydrophobicContact CG1-CG1 4.14Å; L679-I708 HydrophobicContact CD1-CD1 3.67Å; T704-I708 HydrophobicContact CG2-CD1 4.24Å; T704-I708 VanDerWaalsContact O-CG1 3.32Å; T704-I708 WeakPolarHBondContact O-CG1 3.44Å; T704-I708 PolarHBondContact O-N 3.28Å; L705-I708 PolarHBondContact O-N 3.02Å; I708-L711 WeakPolarHBondContact O-CB 3.42Å; I708-L711 PolarHBondContact O-N 3.5Å; I708-G712 PolarHBondContact O-N 3.12Å
709	L	94.8	Very high	90.7	Very high	114 Å²	114	47.4 Å²	47.4	60%	0.597	24%	0.243	S	C	*	.	H	α-helix	trans	-62.1	-45.8	175.7	-178.9	67.6	0	0	0	111.3	L705 I706 Q707 L711 G712 V713	L705-L709 WeakPolarHBondContact O-CB 3.41Å; L705-L709 PolarHBondContact O-N 3.49Å; I706-L709 WeakPolarHBondContact O-CB 3.3Å; I706-L709 PolarHBondContact O-N 3.5Å; Q707-L709 VanDerWaalsContact C-N 3.31Å; Q707-L709 PolarHBondContact O-N 2.99Å; L709-L711 VanDerWaalsContact C-N 3.33Å; L709-L711 PolarHBondContact O-N 3.44Å; L709-G712 PolarHBondContact O-N 3.49Å; L709-V713 WeakPolarHBondContact O-CG2 3.46Å; L709-V713 PolarHBondContact O-N 2.86Å
710	C	93.7	Very high	90.3	Very high	15 Å²	15	44.4 Å²	44.4	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-43.7	175.9	-64.4	0	0	0	0	111.6	I370 I706 Q707 G712 V713 L714 L736	I370-C710 HydrophobicContact CD1-CB 3.99Å; I706-C710 PolarHBondContact O-N 3.46Å; I706-C710 PolarHBondContact O-SG 3.39Å; Q707-C710 PolarHBondContact O-N 3.49Å; C710-G712 VanDerWaalsContact C-N 3.32Å; C710-G712 PolarHBondContact O-N 3.4Å; C710-V713 PolarHBondContact O-N 3.36Å; C710-L714 WeakPolarHBondContact O-CG 3.35Å; C710-L714 PolarHBondContact O-N 2.92Å; C710-L736 WeakPolarHBondContact SG-CD2 3.3Å
711	L	92.5	Very high	89.5	Confident	18 Å²	18	50.4 Å²	50.4	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-41.9	174.7	179.7	67.2	0	0	0	111.6	I373 L374 M672 Q707 I708 L709 L714 W715	I373-L711 HydrophobicContact CG2-CD1 4.25Å; I373-L711 HydrophobicContact CG2-CD2 3.57Å; L374-L711 HydrophobicContact CB-CD1 3.68Å; L374-L711 HydrophobicContact CD1-CD1 4.02Å; L374-L711 HydrophobicContact CG-CD1 4.44Å; M672-L711 HydrophobicContact CE-CB 4.36Å; M672-L711 HydrophobicContact CE-CD2 4.17Å; Q707-L711 WeakPolarHBondContact O-CB 3.17Å; Q707-L711 PolarHBondContact O-N 2.93Å; I708-L711 WeakPolarHBondContact O-CB 3.42Å; I708-L711 PolarHBondContact O-N 3.5Å; L709-L711 VanDerWaalsContact C-N 3.33Å; L709-L711 PolarHBondContact O-N 3.44Å; L711-L714 PolarHBondContact O-N 3.42Å; L711-W715 WeakPolarHBondContact O-CB 3.44Å; L711-W715 PolarHBondContact O-N 3.09Å
712	G	93.9	Very high	88.5	Confident	32 Å²	32	55.3 Å²	55.3	33%	0.33	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-43.4	175.5	0	0	0	0	0	112.7	I708 L709 C710 W715 L716	I708-G712 PolarHBondContact O-N 3.12Å; L709-G712 PolarHBondContact O-N 3.49Å; C710-G712 VanDerWaalsContact C-N 3.32Å; C710-G712 PolarHBondContact O-N 3.4Å; G712-W715 PolarHBondContact O-N 2.99Å; G712-L716 WeakPolarHBondContact O-CG 3.49Å; G712-L716 PolarHBondContact O-N 3.45Å
713	V	92.3	Very high	87.3	Confident	64 Å²	64	53.3 Å²	53.3	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-47.3	174.2	172.7	0	0	0	0	110.8	L709 C710 W715 L716 V717 F729	L709-V713 WeakPolarHBondContact O-CG2 3.46Å; L709-V713 PolarHBondContact O-N 2.86Å; C710-V713 PolarHBondContact O-N 3.36Å; V713-W715 VanDerWaalsContact C-N 3.29Å; V713-W715 PolarHBondContact O-N 2.74Å; V713-L716 PolarHBondContact O-N 3.23Å; V713-V717 WeakPolarHBondContact O-CG2 3.29Å; V713-V717 PolarHBondContact O-N 2.79Å; V713-F729 HydrophobicContact CG1-CD1 4.32Å
714	L	89.1	Confident	86.2	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-38.3	177.4	-70.9	167.3	0	0	0	112.1	I370 L374 C710 L711 V717 K718 F729 L730	I370-L714 HydrophobicContact CG2-CD1 3.47Å; I370-L714 VanDerWaalsContact CG2-CD1 3.47Å; L374-L714 HydrophobicContact CD1-CB 4.2Å; L374-L714 HydrophobicContact CD2-CB 3.86Å; L374-L714 HydrophobicContact CD2-CD1 4.15Å; L374-L714 HydrophobicContact CD2-CG 4.45Å; C710-L714 WeakPolarHBondContact O-CG 3.35Å; C710-L714 PolarHBondContact O-N 2.92Å; L711-L714 PolarHBondContact O-N 3.42Å; L714-V717 PolarHBondContact O-N 2.87Å; L714-K718 WeakPolarHBondContact O-CB 3.23Å; L714-K718 PolarHBondContact O-N 3.04Å; L714-F729 HydrophobicContact CD2-CB 3.57Å; L714-L730 HydrophobicContact CD1-CD1 4.16Å; L714-L730 HydrophobicContact CD2-CB 4.49Å
715	W	89.1	Confident	85.4	Confident	56 Å²	56	57.7 Å²	57.7	21%	0.212	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-42.9	175.4	-176.8	-103.2	0	0	0	112.7	L374 L377 I378 Y381 L711 G712 V713 K718 Q719	L374-W715 HydrophobicContact CD1-CE3 4.28Å; L377-W715 HydrophobicContact CD2-CD2 3.92Å; L377-W715 HydrophobicContact CD2-CE3 3.44Å; L377-W715 VanDerWaalsContact CD2-CE3 3.44Å; L377-W715 HydrophobicContact CD2-CH2 3.38Å; L377-W715 HydrophobicContact CD2-CZ2 3.87Å; L377-W715 HydrophobicContact CD2-CZ3 3.15Å; L377-W715 HydrophobicContact CG-CZ3 4.47Å; I378-W715 HydrophobicContact CG1-CE3 4.34Å; I378-W715 HydrophobicContact CG1-CZ3 3.73Å; Y381-W715 AromaticContact CD1-CH2 3.87Å; Y381-W715 HydrophobicContact CD1-CH2 3.87Å; Y381-W715 HydrophobicContact CD1-CZ2 4.32Å; Y381-W715 HydrophobicContact CD2-CH2 4.04Å; Y381-W715 AromaticContact CD2-CZ2 3.91Å; Y381-W715 HydrophobicContact CD2-CZ2 3.91Å; Y381-W715 HydrophobicContact CE2-CZ2 4.32Å; Y381-W715 AromaticContact CG-CH2 3.55Å; Y381-W715 HydrophobicContact CG-CH2 3.55Å; Y381-W715 AromaticContact CG-CZ2 3.9Å; Y381-W715 HydrophobicContact CG-CZ2 3.9Å; L711-W715 WeakPolarHBondContact O-CB 3.44Å; L711-W715 PolarHBondContact O-N 3.09Å; G712-W715 PolarHBondContact O-N 2.99Å; V713-W715 VanDerWaalsContact C-N 3.29Å; V713-W715 PolarHBondContact O-N 2.74Å; W715-K718 HydrophobicContact CZ3-CD 4.35Å; W715-K718 WeakPolarHBondContact O-CB 3.43Å; W715-K718 PolarHBondContact O-N 2.87Å; W715-Q719 WeakPolarHBondContact O-CG 3.27Å; W715-Q719 PolarHBondContact O-N 3.29Å
716	L	90.4	Very high	84.5	Confident	125 Å²	125	53.2 Å²	53.2	65%	0.654	29%	0.293	S	S	*	.	H	α-helix	trans	-63.6	-43.7	176.3	-71.4	172.6	0	0	0	111.5	G712 V713 K718 Q719 S720	G712-L716 WeakPolarHBondContact O-CG 3.49Å; G712-L716 PolarHBondContact O-N 3.45Å; V713-L716 PolarHBondContact O-N 3.23Å; L716-K718 VanDerWaalsContact C-N 3.31Å; L716-K718 PolarHBondContact O-N 3.36Å; L716-Q719 PolarHBondContact O-N 3.04Å; L716-S720 PolarHBondContact O-N 2.91Å; L716-S720 VanDerWaalsContact O-N 3.14Å
717	V	86.6	Confident	83.6	Confident	15 Å²	15	52 Å²	52	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-44.4	174.4	173	0	0	0	0	110.3	V713 L714 Q719 S720 F722 S723 L726 F729	V713-V717 WeakPolarHBondContact O-CG2 3.29Å; V713-V717 PolarHBondContact O-N 2.79Å; L714-V717 PolarHBondContact O-N 2.87Å; V717-Q719 VanDerWaalsContact C-N 3.32Å; V717-Q719 PolarHBondContact O-N 3.5Å; V717-S720 PolarHBondContact O-N 3.41Å; V717-S720 VanDerWaalsContact O-N 3.16Å; V717-S720 PolarHBondContact O-OG 3.36Å; V717-F722 WeakPolarHBondContact CG1-O 3.18Å; V717-S723 WeakPolarHBondContact O-CA 3.47Å; V717-S723 PolarHBondContact O-N 2.85Å; V717-L726 HydrophobicContact CG1-CB 4.5Å; V717-F729 HydrophobicContact CB-CD2 4.33Å; V717-F729 HydrophobicContact CG1-CD2 3.74Å; V717-F729 HydrophobicContact CG1-CE2 3.94Å; V717-F729 HydrophobicContact CG2-CD1 4.17Å; V717-F729 HydrophobicContact CG2-CD2 3.78Å; V717-F729 HydrophobicContact CG2-CE1 4.13Å; V717-F729 HydrophobicContact CG2-CE2 3.74Å; V717-F729 HydrophobicContact CG2-CG 4Å; V717-F729 HydrophobicContact CG2-CZ 3.92Å
718	K	80.2	Confident	83.1	Confident	27 Å²	27	56.7 Å²	56.7	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-57.4	-41	177.2	-176.7	-93.1	174.5	-171.3	0	113	I378 L714 W715 L716 S720 S723 L726	I378-K718 HydrophobicContact CD1-CG 4.2Å; I378-K718 HydrophobicContact CG1-CD 4.48Å; I378-K718 HydrophobicContact CG1-CG 4.45Å; L714-K718 WeakPolarHBondContact O-CB 3.23Å; L714-K718 PolarHBondContact O-N 3.04Å; W715-K718 HydrophobicContact CZ3-CD 4.35Å; W715-K718 WeakPolarHBondContact O-CB 3.43Å; W715-K718 PolarHBondContact O-N 2.87Å; L716-K718 VanDerWaalsContact C-N 3.31Å; L716-K718 PolarHBondContact O-N 3.36Å; K718-S720 VanDerWaalsContact C-N 3.32Å; K718-S723 WeakPolarHBondContact O-CB 3.49Å; K718-L726 HydrophobicContact CB-CD1 3.92Å; K718-L726 HydrophobicContact CG-CD1 4.18Å
719	Q	80.5	Confident	82.6	Confident	84 Å²	84	57.2 Å²	57.2	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-78.8	-17.2	-178.4	-67.7	-67.3	-9.3	0	0	113	W715 L716 V717	W715-Q719 WeakPolarHBondContact O-CG 3.27Å; W715-Q719 PolarHBondContact O-N 3.29Å; L716-Q719 PolarHBondContact O-N 3.04Å; V717-Q719 VanDerWaalsContact C-N 3.32Å; V717-Q719 PolarHBondContact O-N 3.5Å
720	S	81.2	Confident	82.1	Confident	42 Å²	42	51.9 Å²	51.9	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	-81.1	168.6	177.9	78.5	0	0	0	0	112.6	L716 V717 K718 F722 S723	L716-S720 PolarHBondContact O-N 2.91Å; L716-S720 VanDerWaalsContact O-N 3.14Å; V717-S720 PolarHBondContact O-N 3.41Å; V717-S720 VanDerWaalsContact O-N 3.16Å; V717-S720 PolarHBondContact O-OG 3.36Å; K718-S720 VanDerWaalsContact C-N 3.32Å; S720-F722 PolarHBondContact O-N 2.88Å; S720-F722 WeakPolarHBondContact OG-CB 3.27Å; S720-F722 PolarHBondContact OG-N 3.39Å; S720-F722 VanDerWaalsContact OG-N 3.11Å; S720-S723 PolarHBondContact O-N 3.24Å; S720-S723 VanDerWaalsContact O-N 3.13Å
721	T	71.9	Confident	81.6	Confident	128 Å²	128	54.2 Å²	54.2	79%	0.785	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63.3	-15.9	169	50	0	0	0	0	113	S723	T721-S723 PolarHBondContact O-N 3.32Å
722	F	69.9	Low	81.3	Confident	145 Å²	145	58.6 Å²	58.6	64%	0.636	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-85.9	21.3	172.6	-56.1	-79.2	0	0	0	112.9	V717 S720 L724 A725	V717-F722 WeakPolarHBondContact CG1-O 3.18Å; S720-F722 PolarHBondContact O-N 2.88Å; S720-F722 WeakPolarHBondContact OG-CB 3.27Å; S720-F722 PolarHBondContact OG-N 3.39Å; S720-F722 VanDerWaalsContact OG-N 3.11Å; F722-L724 PolarHBondContact O-N 3.28Å; F722-L724 VanDerWaalsContact O-N 3.11Å; F722-A725 WeakPolarHBondContact O-CB 3.25Å; F722-A725 PolarHBondContact O-N 3.14Å
723	S	67.9	Low	81	Confident	41 Å²	41	57.4 Å²	57.4	29%	0.287	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-54.2	-31.2	176.7	66	0	0	0	0	112.6	V717 K718 S720 T721 A725 L726	V717-S723 WeakPolarHBondContact O-CA 3.47Å; V717-S723 PolarHBondContact O-N 2.85Å; K718-S723 WeakPolarHBondContact O-CB 3.49Å; S720-S723 PolarHBondContact O-N 3.24Å; S720-S723 VanDerWaalsContact O-N 3.13Å; T721-S723 PolarHBondContact O-N 3.32Å; S723-A725 PolarHBondContact O-N 3.42Å; S723-L726 WeakPolarHBondContact O-CB 3.48Å; S723-L726 PolarHBondContact O-N 2.88Å; S723-L726 VanDerWaalsContact O-N 3.16Å
724	L	68.9	Low	80.7	Confident	68 Å²	68	55.4 Å²	55.4	36%	0.356	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-60.2	-23.4	172.1	-66.7	171.3	0	0	0	113	F318 A321 L544 F722 L726	F318-L724 HydrophobicContact CD2-CD2 4Å; F318-L724 HydrophobicContact CE2-CD2 4.25Å; A321-L724 HydrophobicContact CB-CD2 3.69Å; A321-L724 HydrophobicContact CB-CG 4.2Å; L544-L724 WeakPolarHBondContact CD1-O 3.37Å; L544-L724 HydrophobicContact CD2-CB 3.73Å; L544-L724 HydrophobicContact CD2-CD2 3.66Å; L544-L724 HydrophobicContact CD2-CG 4.3Å; L544-L724 WeakPolarHBondContact CD2-O 3.46Å; L544-L724 WeakPolarHBondContact CG-O 3.44Å; F722-L724 PolarHBondContact O-N 3.28Å; F722-L724 VanDerWaalsContact O-N 3.11Å; L724-L726 VanDerWaalsContact C-N 3.32Å; L724-L726 PolarHBondContact O-N 3.02Å
725	A	75.8	Confident	80.6	Confident	25 Å²	25	58.6 Å²	58.6	21%	0.207	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-83.8	-4.1	178.3	0	0	0	0	0	113.8	F722 S723 P727 F728 F729	F722-A725 WeakPolarHBondContact O-CB 3.25Å; F722-A725 PolarHBondContact O-N 3.14Å; S723-A725 PolarHBondContact O-N 3.42Å; A725-P727 VanDerWaalsContact C-CD 3.44Å; A725-P727 VanDerWaalsContact C-N 3.34Å; A725-P727 VanDerWaalsContact O-N 3.16Å; A725-F728 WeakPolarHBondContact O-CB 3.32Å; A725-F728 PolarHBondContact O-N 2.87Å; A725-F729 HydrophobicContact CB-CD2 4.11Å; A725-F729 HydrophobicContact CB-CE2 3.93Å; A725-F729 WeakPolarHBondContact O-CD2 3.24Å; A725-F729 PolarHBondContact O-N 2.92Å
726	L	74.7	Confident	80.5	Confident	18 Å²	18	59 Å²	59	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-49.1	-43.4	-173.1	-177	158	0	0	0	114.5	L374 V717 K718 S723 L724 F728 F729 L730	L374-L726 HydrophobicContact CD2-CD1 4.24Å; L374-L726 HydrophobicContact CD2-CD2 4.18Å; L374-L726 HydrophobicContact CD2-CG 4.41Å; V717-L726 HydrophobicContact CG1-CB 4.5Å; K718-L726 HydrophobicContact CB-CD1 3.92Å; K718-L726 HydrophobicContact CG-CD1 4.18Å; S723-L726 WeakPolarHBondContact O-CB 3.48Å; S723-L726 PolarHBondContact O-N 2.88Å; S723-L726 VanDerWaalsContact O-N 3.16Å; L724-L726 VanDerWaalsContact C-N 3.32Å; L724-L726 PolarHBondContact O-N 3.02Å; L726-F728 VanDerWaalsContact C-N 3.32Å; L726-F728 PolarHBondContact O-N 2.8Å; L726-F729 PolarHBondContact O-N 3.33Å; L726-L730 PolarHBondContact O-N 2.69Å
727	P	75.3	Confident	80.5	Confident	5 Å²	5	56 Å²	56	3%	0.032	29%	0.294	C	S	.	.	H	α-helix	trans	-68.1	-28	179.4	-23	38.8	0	0	0	113.6	L544 I547 L548 A725 L730 I731	L544-P727 HydrophobicContact CD1-CB 4.1Å; L544-P727 VanDerWaalsContact CD1-CD 3.42Å; L544-P727 HydrophobicContact CD1-CG 3.44Å; L544-P727 VanDerWaalsContact CD1-CG 3.44Å; I547-P727 HydrophobicContact CB-CB 4.34Å; I547-P727 HydrophobicContact CG2-CB 3.56Å; L548-P727 HydrophobicContact CD1-CG 4.34Å; L548-P727 HydrophobicContact CD2-CB 4.16Å; L548-P727 HydrophobicContact CD2-CG 3.35Å; L548-P727 HydrophobicContact CG-CB 4.45Å; L548-P727 HydrophobicContact CG-CG 3.63Å; A725-P727 VanDerWaalsContact C-CD 3.44Å; A725-P727 VanDerWaalsContact C-N 3.34Å; A725-P727 VanDerWaalsContact O-N 3.16Å; P727-L730 WeakPolarHBondContact O-CB 3.42Å; P727-L730 PolarHBondContact O-N 3Å; P727-I731 WeakPolarHBondContact O-CG1 3.32Å; P727-I731 PolarHBondContact O-N 3.38Å
728	F	81.7	Confident	80.4	Confident	100 Å²	100	59.4 Å²	59.4	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-43.9	173.1	-67.8	-80.6	0	0	0	111.2	L543 L544 I547 A725 L726 L730 I731 L732	L543-F728 HydrophobicContact CD2-CZ 4.21Å; L544-F728 HydrophobicContact CD1-CE2 4.3Å; I547-F728 HydrophobicContact CD1-CD1 4.33Å; I547-F728 HydrophobicContact CD1-CE1 3.75Å; I547-F728 HydrophobicContact CD1-CE2 4.45Å; I547-F728 HydrophobicContact CD1-CZ 3.83Å; A725-F728 WeakPolarHBondContact O-CB 3.32Å; A725-F728 PolarHBondContact O-N 2.87Å; L726-F728 VanDerWaalsContact C-N 3.32Å; L726-F728 PolarHBondContact O-N 2.8Å; F728-L730 VanDerWaalsContact C-N 3.25Å; F728-L730 PolarHBondContact O-N 3.19Å; F728-I731 PolarHBondContact O-N 3.36Å; F728-L732 PolarHBondContact O-N 3.21Å
729	F	84.8	Confident	80.7	Confident	77 Å²	77	62.3 Å²	62.3	34%	0.338	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-33	174.4	-76.3	-84.7	0	0	0	111.8	V713 L714 V717 A725 L726 L732 T733	V713-F729 HydrophobicContact CG1-CD1 4.32Å; L714-F729 HydrophobicContact CD2-CB 3.57Å; V717-F729 HydrophobicContact CB-CD2 4.33Å; V717-F729 HydrophobicContact CG1-CD2 3.74Å; V717-F729 HydrophobicContact CG1-CE2 3.94Å; V717-F729 HydrophobicContact CG2-CD1 4.17Å; V717-F729 HydrophobicContact CG2-CD2 3.78Å; V717-F729 HydrophobicContact CG2-CE1 4.13Å; V717-F729 HydrophobicContact CG2-CE2 3.74Å; V717-F729 HydrophobicContact CG2-CG 4Å; V717-F729 HydrophobicContact CG2-CZ 3.92Å; A725-F729 HydrophobicContact CB-CD2 4.11Å; A725-F729 HydrophobicContact CB-CE2 3.93Å; A725-F729 WeakPolarHBondContact O-CD2 3.24Å; A725-F729 PolarHBondContact O-N 2.92Å; L726-F729 PolarHBondContact O-N 3.33Å; F729-L732 WeakPolarHBondContact O-CB 3.39Å; F729-L732 PolarHBondContact O-N 2.97Å; F729-T733 PolarHBondContact O-N 2.98Å
730	L	82.9	Confident	80.9	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-47.8	172.7	-172.8	75.3	0	0	0	111.1	T367 F371 M551 L714 L726 P727 F728 L732 T733	T367-L730 HydrophobicContact CG2-CD1 4.19Å; T367-L730 HydrophobicContact CG2-CG 4.15Å; F371-L730 HydrophobicContact CB-CD1 3.9Å; F371-L730 HydrophobicContact CB-CD2 4.38Å; F371-L730 HydrophobicContact CD2-CD1 3.96Å; F371-L730 HydrophobicContact CD2-CD2 3.58Å; F371-L730 HydrophobicContact CD2-CG 4.42Å; F371-L730 HydrophobicContact CE2-CD2 3.99Å; F371-L730 HydrophobicContact CG-CD1 4.3Å; F371-L730 HydrophobicContact CG-CD2 4.03Å; M551-L730 HydrophobicContact CE-CD2 3.98Å; L714-L730 HydrophobicContact CD1-CD1 4.16Å; L714-L730 HydrophobicContact CD2-CB 4.49Å; L726-L730 PolarHBondContact O-N 2.69Å; P727-L730 WeakPolarHBondContact O-CB 3.42Å; P727-L730 PolarHBondContact O-N 3Å; F728-L730 VanDerWaalsContact C-N 3.25Å; F728-L730 PolarHBondContact O-N 3.19Å; L730-L732 PolarHBondContact O-N 2.97Å; L730-T733 WeakPolarHBondContact O-CB 3.12Å; L730-T733 WeakPolarHBondContact O-CG2 3.33Å; L730-T733 PolarHBondContact O-N 3.37Å; L730-T733 VanDerWaalsContact O-N 3.07Å; L730-T733 PolarHBondContact O-OG1 3.24Å
731	I	83.9	Confident	80.8	Confident	64 Å²	64	58.9 Å²	58.9	33%	0.328	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-35.6	176.9	-70.3	168.9	0	0	0	111.1	I547 P727 F728 T733 I734 P735	I547-I731 HydrophobicContact CD1-CD1 4.4Å; I547-I731 HydrophobicContact CG1-CD1 4.5Å; I547-I731 HydrophobicContact CG2-CD1 3.58Å; P727-I731 WeakPolarHBondContact O-CG1 3.32Å; P727-I731 PolarHBondContact O-N 3.38Å; F728-I731 PolarHBondContact O-N 3.36Å; I731-T733 PolarHBondContact O-N 3.39Å; I731-T733 VanDerWaalsContact O-N 3.13Å; I731-I734 VanDerWaalsContact O-CB 3.29Å; I731-I734 WeakPolarHBondContact O-CB 3.48Å; I731-I734 WeakPolarHBondContact O-CG1 3.41Å; I731-I734 PolarHBondContact O-N 3.31Å; I731-P735 WeakPolarHBondContact O-CD 3.48Å
732	L	87.4	Confident	81	Confident	110 Å²	110	55.8 Å²	55.8	58%	0.576	30%	0.303	S	S	*	.	H	α-helix	trans	-61.4	-20.3	177.1	-169.4	66.1	0	0	0	113.3	F728 F729 L730 I734 P735 L736	F728-L732 PolarHBondContact O-N 3.21Å; F729-L732 WeakPolarHBondContact O-CB 3.39Å; F729-L732 PolarHBondContact O-N 2.97Å; L730-L732 PolarHBondContact O-N 2.97Å; L732-I734 VanDerWaalsContact C-N 3.25Å; L732-I734 PolarHBondContact O-N 3.45Å; L732-P735 HydrophobicContact CD1-CG 4.25Å; L732-P735 VanDerWaalsContact O-CD 3.26Å; L732-P735 WeakPolarHBondContact O-CD 3.42Å; L732-P735 VanDerWaalsContact O-CG 3.32Å; L732-P735 WeakPolarHBondContact O-CG 3.49Å; L732-L736 PolarHBondContact O-N 3Å
733	T	86.8	Confident	81.5	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.043	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-24	172.8	70.5	0	0	0	0	113.1	T367 F729 L730 I731 L736 R737	T367-T733 WeakPolarHBondContact CG2-OG1 3.47Å; T367-T733 PolarHBondContact OG1-OG1 2.83Å; F729-T733 PolarHBondContact O-N 2.98Å; L730-T733 WeakPolarHBondContact O-CB 3.12Å; L730-T733 WeakPolarHBondContact O-CG2 3.33Å; L730-T733 PolarHBondContact O-N 3.37Å; L730-T733 VanDerWaalsContact O-N 3.07Å; L730-T733 PolarHBondContact O-OG1 3.24Å; I731-T733 PolarHBondContact O-N 3.39Å; I731-T733 VanDerWaalsContact O-N 3.13Å; T733-L736 WeakPolarHBondContact O-CB 3.33Å; T733-R737 WeakPolarHBondContact O-CB 3.02Å; T733-R737 PolarHBondContact O-N 3.39Å
734	I	85.5	Confident	82.3	Confident	21 Å²	21	59.8 Å²	59.8	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-56.1	179.2	-60.3	171.7	0	0	0	111.7	F362 I363 T367 I731 L732 L736 R737 I738	F362-I734 HydrophobicContact CB-CG2 3.77Å; F362-I734 WeakPolarHBondContact O-CG2 3.49Å; I363-I734 HydrophobicContact CG1-CD1 4.06Å; T367-I734 HydrophobicContact CG2-CG1 4.33Å; I731-I734 VanDerWaalsContact O-CB 3.29Å; I731-I734 WeakPolarHBondContact O-CB 3.48Å; I731-I734 WeakPolarHBondContact O-CG1 3.41Å; I731-I734 PolarHBondContact O-N 3.31Å; L732-I734 VanDerWaalsContact C-N 3.25Å; L732-I734 PolarHBondContact O-N 3.45Å; I734-L736 PolarHBondContact O-N 2.91Å; I734-R737 WeakPolarHBondContact O-CB 3.37Å; I734-R737 PolarHBondContact O-N 3.35Å; I734-R737 VanDerWaalsContact O-N 3.12Å; I734-I738 HydrophobicContact CG2-CD1 4.22Å; I734-I738 WeakPolarHBondContact O-CG1 3.46Å; I734-I738 PolarHBondContact O-N 2.9Å
735	P	87	Confident	83.2	Confident	69 Å²	69	56.7 Å²	56.7	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-31	176	25.5	-33.8	0	0	0	111.9	I731 L732 I738 L739	I731-P735 WeakPolarHBondContact O-CD 3.48Å; L732-P735 HydrophobicContact CD1-CG 4.25Å; L732-P735 VanDerWaalsContact O-CD 3.26Å; L732-P735 WeakPolarHBondContact O-CD 3.42Å; L732-P735 VanDerWaalsContact O-CG 3.32Å; L732-P735 WeakPolarHBondContact O-CG 3.49Å; P735-I738 PolarHBondContact O-N 2.75Å; P735-L739 WeakPolarHBondContact O-CB 3.19Å; P735-L739 PolarHBondContact O-N 3.15Å
736	L	88.4	Confident	83.6	Confident	65 Å²	65	58.9 Å²	58.9	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-47.4	171.3	178.2	66.9	0	0	0	111.1	C710 L732 T733 I734 I738 L739 M740	C710-L736 WeakPolarHBondContact SG-CD2 3.3Å; L732-L736 PolarHBondContact O-N 3Å; T733-L736 WeakPolarHBondContact O-CB 3.33Å; I734-L736 PolarHBondContact O-N 2.91Å; L736-I738 VanDerWaalsContact C-N 3.34Å; L736-I738 PolarHBondContact O-N 3.25Å; L736-L739 PolarHBondContact O-N 3.29Å; L736-M740 HydrophobicContact CG-SD 4.24Å; L736-M740 VanDerWaalsContact O-CG 3.26Å; L736-M740 WeakPolarHBondContact O-CG 3.41Å; L736-M740 PolarHBondContact O-N 3.43Å
737	R	88.3	Confident	83.9	Confident	63 Å²	63	62.5 Å²	62.5	24%	0.238	33%	0.332	C	S	.	.	H	α-helix	trans	-59	-45	175.9	-178.1	-85.6	-173.4	179.8	4.1	111.5	S364 F366 T733 I734 L739 M740 T741 D754	S364-R737 PolarHBondContact OG-NE 3.42Å; F366-R737 HydrophobicContact CB-CG 4.04Å; F366-R737 HydrophobicContact CD1-CB 3.83Å; F366-R737 HydrophobicContact CD1-CG 4.11Å; F366-R737 HydrophobicContact CE1-CB 4.21Å; F366-R737 HydrophobicContact CG-CB 4.32Å; F366-R737 HydrophobicContact CG-CG 4.1Å; T733-R737 WeakPolarHBondContact O-CB 3.02Å; T733-R737 PolarHBondContact O-N 3.39Å; I734-R737 WeakPolarHBondContact O-CB 3.37Å; I734-R737 PolarHBondContact O-N 3.35Å; I734-R737 VanDerWaalsContact O-N 3.12Å; R737-L739 VanDerWaalsContact C-N 3.33Å; R737-L739 PolarHBondContact O-N 3.5Å; R737-M740 WeakPolarHBondContact O-CB 3.31Å; R737-M740 PolarHBondContact O-N 3.13Å; R737-T741 PolarHBondContact O-N 2.95Å; R737-T741 PolarHBondContact O-OG1 3.35Å; R737-D754 IonicContact CZ-OD2 3.63Å; R737-D754 IonicContact NE-OD2 3.62Å; R737-D754 PolarHBondContact NE-OD2 3.41Å; R737-D754 IonicContact NH2-OD2 3.21Å; R737-D754 PolarHBondContact NH2-OD2 3.47Å
738	I	84.9	Confident	84	Confident	85 Å²	85	65.5 Å²	65.5	44%	0.436	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-41.7	178.2	-64.8	168.7	0	0	0	110.9	F362 I734 P735 L736 M740 T741	F362-I738 HydrophobicContact CD1-CD1 4.32Å; I734-I738 HydrophobicContact CG2-CD1 4.22Å; I734-I738 WeakPolarHBondContact O-CG1 3.46Å; I734-I738 PolarHBondContact O-N 2.9Å; P735-I738 PolarHBondContact O-N 2.75Å; L736-I738 VanDerWaalsContact C-N 3.34Å; L736-I738 PolarHBondContact O-N 3.25Å; I738-M740 VanDerWaalsContact C-N 3.3Å; I738-M740 PolarHBondContact O-N 2.97Å; I738-T741 WeakPolarHBondContact O-CB 3.09Å; I738-T741 PolarHBondContact O-N 2.82Å
739	L	86.7	Confident	84	Confident	88 Å²	88	62.2 Å²	62.2	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-31.5	178	-171.5	69.2	0	0	0	112.7	P735 L736 R737 T741	P735-L739 WeakPolarHBondContact O-CB 3.19Å; P735-L739 PolarHBondContact O-N 3.15Å; L736-L739 PolarHBondContact O-N 3.29Å; R737-L739 VanDerWaalsContact C-N 3.33Å; R737-L739 PolarHBondContact O-N 3.5Å; L739-T741 VanDerWaalsContact C-N 3.32Å
740	M	85.2	Confident	83.9	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.02	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-33.1	175.8	-71.4	171.5	66.1	0	0	112	F366 F703 I706 L736 R737 I738 G742 I744 F745 M750	F366-M740 HydrophobicContact CE2-SD 4.44Å; F366-M740 HydrophobicContact CZ-SD 4.26Å; F703-M740 HydrophobicContact CD2-CE 4.01Å; F703-M740 HydrophobicContact CE2-CE 4.29Å; I706-M740 HydrophobicContact CB-CE 4.27Å; I706-M740 HydrophobicContact CD1-CE 3.61Å; I706-M740 HydrophobicContact CD1-SD 4.48Å; I706-M740 HydrophobicContact CG2-CE 3.92Å; I706-M740 HydrophobicContact CG2-SD 3.85Å; L736-M740 HydrophobicContact CG-SD 4.24Å; L736-M740 VanDerWaalsContact O-CG 3.26Å; L736-M740 WeakPolarHBondContact O-CG 3.41Å; L736-M740 PolarHBondContact O-N 3.43Å; R737-M740 WeakPolarHBondContact O-CB 3.31Å; R737-M740 PolarHBondContact O-N 3.13Å; I738-M740 VanDerWaalsContact C-N 3.3Å; I738-M740 PolarHBondContact O-N 2.97Å; M740-G742 PolarHBondContact O-N 2.89Å; M740-I744 HydrophobicContact CG-CD1 4.4Å; M740-I744 PolarHBondContact O-N 3.16Å; M740-F745 HydrophobicContact CE-CD2 4.13Å; M740-F745 HydrophobicContact CE-CE2 3.63Å; M740-F745 PolarHBondContact O-N 3.4Å; M740-M750 HydrophobicContact CB-CE 4.11Å
741	T	79.3	Confident	83.7	Confident	50 Å²	50	61.5 Å²	61.5	31%	0.307	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	117.6	174.1	-48.1	0	0	0	0	109.9	R737 I738 L739 R743 M750	R737-T741 PolarHBondContact O-N 2.95Å; R737-T741 PolarHBondContact O-OG1 3.35Å; I738-T741 WeakPolarHBondContact O-CB 3.09Å; I738-T741 PolarHBondContact O-N 2.82Å; L739-T741 VanDerWaalsContact C-N 3.32Å; T741-R743 PolarHBondContact O-N 3.28Å; T741-M750 HydrophobicContact CG2-CG 4.46Å
742	G	74.9	Confident	83.4	Confident	64 Å²	64	58.7 Å²	58.7	66%	0.66	32%	0.316	S	S	*	.	H	α-helix	trans	93.2	-25.2	177.6	0	0	0	0	0	115.6	M740 F745	M740-G742 PolarHBondContact O-N 2.89Å; G742-F745 PolarHBondContact N-O 3.27Å
743	R	82.3	Confident	83.1	Confident	197 Å²	197	53.5 Å²	53.5	74%	0.743	29%	0.288	S	S	*	.	H	α-helix	trans	-92.8	-48.7	174.3	-69.2	-170	179.5	-174.9	2.4	113.5	T741	T741-R743 PolarHBondContact O-N 3.28Å
744	I	83.8	Confident	82.5	Confident	72 Å²	72	53.4 Å²	53.4	37%	0.369	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-35.9	-174	-55.3	178.3	0	0	0	110.8	R699 M740	R699-I744 PolarHBondContact NH1-O 3.26Å; M740-I744 HydrophobicContact CG-CD1 4.4Å; M740-I744 PolarHBondContact O-N 3.16Å
745	F	87.1	Confident	81.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.018	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-125.2	145.2	-177.4	-62.5	-82	0	0	0	110.5	R699 I702 F703 M740 G742 E749 M750 L753	R699-F745 HydrophobicContact CB-CE1 4.08Å; R699-F745 WeakPolarHBondContact O-CE1 3.42Å; I702-F745 HydrophobicContact CG2-CZ 4.2Å; F703-F745 HydrophobicContact CB-CE1 4.12Å; F703-F745 HydrophobicContact CB-CE2 4.37Å; F703-F745 HydrophobicContact CB-CZ 3.68Å; F703-F745 HydrophobicContact CD2-CD2 4.42Å; F703-F745 AromaticContact CD2-CE2 3.98Å; F703-F745 HydrophobicContact CD2-CE2 3.98Å; F703-F745 HydrophobicContact CD2-CZ 4.06Å; F703-F745 HydrophobicContact CG-CZ 4.39Å; M740-F745 HydrophobicContact CE-CD2 4.13Å; M740-F745 HydrophobicContact CE-CE2 3.63Å; M740-F745 PolarHBondContact O-N 3.4Å; G742-F745 PolarHBondContact N-O 3.27Å; F745-E749 HydrophobicContact CB-CB 4.4Å; F745-M750 HydrophobicContact CB-CE 4.07Å; F745-M750 HydrophobicContact CD2-CE 4.11Å; F745-M750 HydrophobicContact CG-CE 4.35Å; F745-L753 HydrophobicContact CD1-CD1 4.22Å; F745-L753 HydrophobicContact CE1-CD1 4.26Å
746	T	84.9	Confident	79.9	Confident	70 Å²	70	54.1 Å²	54.1	43%	0.429	29%	0.29	S	S	.	.			trans	-71.5	156.9	172.4	62.4	0	0	0	0	110.4	L748 E749 M750	T746-L748 PolarHBondContact O-N 3.49Å; T746-E749 PolarHBondContact O-N 3.46Å; T746-E749 WeakPolarHBondContact OG1-CB 3.32Å; T746-E749 VanDerWaalsContact OG1-CG 3.25Å; T746-E749 WeakPolarHBondContact OG1-CG 3.31Å; T746-E749 PolarHBondContact OG1-N 3.36Å; T746-M750 PolarHBondContact O-N 2.66Å
747	P	80.9	Confident	78.2	Confident	95 Å²	95	53.2 Å²	53.2	62%	0.617	29%	0.286	S	S	*	.	H	α-helix	trans	-55.3	-38.5	175.9	19.1	-31.3	0	0	0	112.4	M750 K751	P747-M750 PolarHBondContact O-N 3.06Å; P747-K751 WeakPolarHBondContact O-CB 3.49Å; P747-K751 PolarHBondContact O-N 3.47Å
748	L	77	Confident	76.1	Confident	68 Å²	68	54 Å²	54	36%	0.356	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-45.3	175.9	-166.5	94.4	0	0	0	112.8	T746 M750 K751 C752 F762	T746-L748 PolarHBondContact O-N 3.49Å; L748-M750 VanDerWaalsContact C-N 3.33Å; L748-M750 PolarHBondContact O-N 3.44Å; L748-K751 PolarHBondContact O-N 3.39Å; L748-C752 PolarHBondContact O-N 3.17Å; L748-C752 PolarHBondContact O-SG 3.23Å; L748-F762 HydrophobicContact CD1-CD1 4.07Å; L748-F762 HydrophobicContact CD1-CE1 3.8Å; L748-F762 HydrophobicContact CG-CE1 4.39Å
749	E	82.3	Confident	74.2	Confident	30 Å²	30	58.3 Å²	58.3	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-42	176.3	-76.6	-179.7	160.8	0	0	110.9	V695 F745 T746 C752 L753	V695-E749 HydrophobicContact CG1-CG 4.25Å; F745-E749 HydrophobicContact CB-CB 4.4Å; T746-E749 PolarHBondContact O-N 3.46Å; T746-E749 WeakPolarHBondContact OG1-CB 3.32Å; T746-E749 VanDerWaalsContact OG1-CG 3.25Å; T746-E749 WeakPolarHBondContact OG1-CG 3.31Å; T746-E749 PolarHBondContact OG1-N 3.36Å; E749-C752 PolarHBondContact O-N 3.02Å; E749-L753 WeakPolarHBondContact O-CB 3.4Å; E749-L753 VanDerWaalsContact O-CG 3.29Å; E749-L753 WeakPolarHBondContact O-CG 3.35Å; E749-L753 PolarHBondContact O-N 2.75Å
750	M	82.6	Confident	72.4	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-41.7	177.2	-170.4	61.6	70.9	0	0	111.4	F703 M740 T741 F745 T746 P747 L748 C752 L753 D754	F703-M750 HydrophobicContact CE2-CE 4.27Å; F703-M750 HydrophobicContact CE2-SD 3.97Å; M740-M750 HydrophobicContact CB-CE 4.11Å; T741-M750 HydrophobicContact CG2-CG 4.46Å; F745-M750 HydrophobicContact CB-CE 4.07Å; F745-M750 HydrophobicContact CD2-CE 4.11Å; F745-M750 HydrophobicContact CG-CE 4.35Å; T746-M750 PolarHBondContact O-N 2.66Å; P747-M750 PolarHBondContact O-N 3.06Å; L748-M750 VanDerWaalsContact C-N 3.33Å; L748-M750 PolarHBondContact O-N 3.44Å; M750-C752 VanDerWaalsContact C-N 3.28Å; M750-C752 PolarHBondContact O-N 3.43Å; M750-L753 PolarHBondContact O-N 3.49Å; M750-D754 HydrophobicContact CG-CB 4.47Å; M750-D754 VanDerWaalsContact O-CB 3.29Å; M750-D754 WeakPolarHBondContact O-CB 3.44Å; M750-D754 PolarHBondContact O-N 2.85Å; M750-D754 HydrophobicContact SD-CB 4.06Å
751	K	79.5	Confident	70.5	Confident	60 Å²	60	62.7 Å²	62.7	26%	0.261	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-38.2	174.6	-166.9	169.7	-179.1	170.5	0	111.1	P747 L748 A755 V760 K761 F762 D766	P747-K751 WeakPolarHBondContact O-CB 3.49Å; P747-K751 PolarHBondContact O-N 3.47Å; L748-K751 PolarHBondContact O-N 3.39Å; K751-A755 WeakPolarHBondContact O-CB 3.31Å; K751-A755 PolarHBondContact O-N 3.32Å; K751-A755 VanDerWaalsContact O-N 3.08Å; K751-V760 HydrophobicContact CG-CG1 3.97Å; K751-K761 WeakPolarHBondContact CE-O 3.38Å; K751-K761 PolarHBondContact NZ-O 3.18Å; K751-F762 HydrophobicContact CD-CD1 4.47Å; K751-D766 IonicContact NZ-OD2 3.45Å; K751-D766 PolarHBondContact NZ-OD2 3.42Å
752	C	77.4	Confident	68.9	Low	5 Å²	5	62.3 Å²	62.3	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-35.7	174.7	-64.9	0	0	0	0	113.8	V695 L748 E749 M750	V695-C752 HydrophobicContact CG2-CB 3.59Å; L748-C752 PolarHBondContact O-N 3.17Å; L748-C752 PolarHBondContact O-SG 3.23Å; E749-C752 PolarHBondContact O-N 3.02Å; M750-C752 VanDerWaalsContact C-N 3.28Å; M750-C752 PolarHBondContact O-N 3.43Å
753	L	79.7	Confident	67.4	Low	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-87.7	-20.5	-174.7	-71	167.8	0	0	0	114.3	R675 V695 M700 F703 F745 E749 M750	R675-L753 PolarHBondContact NH1-O 2.96Å; V695-L753 HydrophobicContact CG1-CD1 4.37Å; V695-L753 HydrophobicContact CG2-CG 4.33Å; M700-L753 HydrophobicContact CG-CD2 4.25Å; F703-L753 HydrophobicContact CB-CD1 4.12Å; F703-L753 HydrophobicContact CD2-CD1 3.91Å; F703-L753 HydrophobicContact CE1-CB 4.45Å; F703-L753 HydrophobicContact CE2-CB 4.33Å; F703-L753 HydrophobicContact CE2-CD1 4.43Å; F703-L753 HydrophobicContact CG-CD1 3.96Å; F703-L753 HydrophobicContact CZ-CB 4.23Å; F745-L753 HydrophobicContact CD1-CD1 4.22Å; F745-L753 HydrophobicContact CE1-CD1 4.26Å; E749-L753 WeakPolarHBondContact O-CB 3.4Å; E749-L753 VanDerWaalsContact O-CG 3.29Å; E749-L753 WeakPolarHBondContact O-CG 3.35Å; E749-L753 PolarHBondContact O-N 2.75Å; M750-L753 PolarHBondContact O-N 3.49Å
754	D	73.9	Confident	65.4	Low	5 Å²	5	60.6 Å²	60.6	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-138.9	13.6	-167.5	-162.1	31.9	0	0	0	113.5	S364 R365 F366 R737 M750 D756	S364-D754 WeakPolarHBondContact CB-OD2 3.37Å; S364-D754 PolarHBondContact OG-OD1 3.37Å; S364-D754 PolarHBondContact OG-OD2 3.44Å; R365-D754 WeakPolarHBondContact CA-OD1 3.3Å; R365-D754 WeakPolarHBondContact CB-OD1 3.4Å; R365-D754 PolarHBondContact N-OD1 3.02Å; F366-D754 PolarHBondContact N-OD1 3.28Å; R737-D754 IonicContact CZ-OD2 3.63Å; R737-D754 IonicContact NE-OD2 3.62Å; R737-D754 PolarHBondContact NE-OD2 3.41Å; R737-D754 IonicContact NH2-OD2 3.21Å; R737-D754 PolarHBondContact NH2-OD2 3.47Å; M750-D754 HydrophobicContact CG-CB 4.47Å; M750-D754 VanDerWaalsContact O-CB 3.29Å; M750-D754 WeakPolarHBondContact O-CB 3.44Å; M750-D754 PolarHBondContact O-N 2.85Å; M750-D754 HydrophobicContact SD-CB 4.06Å; D754-D756 PolarHBondContact O-N 3.34Å
755	A	65.5	Low	63.3	Low	18 Å²	18	64.8 Å²	64.8	15%	0.149	34%	0.342	C	S	.	.			trans	-62.2	135.8	172.5	0	0	0	0	0	111.6	R365 K751 D757 V760	R365-A755 PolarHBondContact NH1-O 2.77Å; R365-A755 VanDerWaalsContact NH1-O 3.1Å; K751-A755 WeakPolarHBondContact O-CB 3.31Å; K751-A755 PolarHBondContact O-N 3.32Å; K751-A755 VanDerWaalsContact O-N 3.08Å; A755-D757 VanDerWaalsContact C-N 3.25Å; A755-D757 PolarHBondContact O-N 3.35Å; A755-V760 HydrophobicContact CB-CG1 4.39Å; A755-V760 HydrophobicContact CB-CG2 3.97Å
756	D	53.9	Low	61	Low	87 Å²	87	66.9 Å²	66.9	47%	0.465	35%	0.354	S	S	.	.	S	Bend	trans	-69.7	-22.8	178.4	-72.3	-37	0	0	0	113.4	K562 D754	K562-D756 PolarHBondContact NZ-O 2.67Å; D754-D756 PolarHBondContact O-N 3.34Å
757	D	51.7	Low	58.9	Low	46 Å²	46	68.6 Å²	68.6	25%	0.246	36%	0.358	C	S	.	.	S	Bend	trans	-85.9	142.6	179	-75.6	-13.2	0	0	0	111.6	A755 K759	A755-D757 VanDerWaalsContact C-N 3.25Å; A755-D757 PolarHBondContact O-N 3.35Å; D757-K759 VanDerWaalsContact CB-O 3.31Å; D757-K759 WeakPolarHBondContact CB-O 2.9Å; D757-K759 PolarHBondContact O-N 3.43Å
758	A	44.8	Very low	56.8	Low	81 Å²	81	71.2 Å²	71.2	67%	0.669	36%	0.362	S	S	*	.	S	Bend	trans	-65.2	-16.7	172.7	0	0	0	0	0	113.1	E564	E564-A758 PolarHBondContact OE1-N 3.4Å
759	K	44.8	Very low	55	Low	175 Å²	175	74.5 Å²	74.5	76%	0.761	38%	0.38	S	S	*	.	S	Bend	trans	-128.1	117.2	170.8	-68.9	-173.5	177.6	-171	0	108.7	D757 K761	D757-K759 VanDerWaalsContact CB-O 3.31Å; D757-K759 WeakPolarHBondContact CB-O 2.9Å; D757-K759 PolarHBondContact O-N 3.43Å; K759-K761 PolarHBondContact O-N 3.05Å; K759-K761 VanDerWaalsContact O-N 3.11Å
760	V	48	Very low	52.7	Low	30 Å²	30	75.7 Å²	75.7	18%	0.182	40%	0.401	C	S	.	.			trans	-63.6	114.2	178.1	-170.2	0	0	0	0	108.7	A690 K751 A755 F762	A690-V760 HydrophobicContact CB-CG2 3.89Å; K751-V760 HydrophobicContact CG-CG1 3.97Å; A755-V760 HydrophobicContact CB-CG1 4.39Å; A755-V760 HydrophobicContact CB-CG2 3.97Å; V760-F762 HydrophobicContact CB-CE2 3.84Å; V760-F762 HydrophobicContact CB-CZ 3.95Å; V760-F762 HydrophobicContact CG1-CD1 4.31Å; V760-F762 HydrophobicContact CG1-CD2 4.2Å; V760-F762 HydrophobicContact CG1-CE1 3.75Å; V760-F762 HydrophobicContact CG1-CE2 3.61Å; V760-F762 HydrophobicContact CG1-CZ 3.36Å
761	K	45.4	Very low	50.3	Low	153 Å²	153	83 Å²	83	67%	0.665	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-89	124.1	168.1	-66.7	179.9	-176.9	171.9	0	108	K751 K759	K751-K761 WeakPolarHBondContact CE-O 3.38Å; K751-K761 PolarHBondContact NZ-O 3.18Å; K759-K761 PolarHBondContact O-N 3.05Å; K759-K761 VanDerWaalsContact O-N 3.11Å
762	F	46.9	Very low	47.8	Very low	43 Å²	43	87.4 Å²	87.4	19%	0.189	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-96.8	132.3	172.5	-61.8	-83.8	0	0	0	107	L748 K751 V760 D766 M767	L748-F762 HydrophobicContact CD1-CD1 4.07Å; L748-F762 HydrophobicContact CD1-CE1 3.8Å; L748-F762 HydrophobicContact CG-CE1 4.39Å; K751-F762 HydrophobicContact CD-CD1 4.47Å; V760-F762 HydrophobicContact CB-CE2 3.84Å; V760-F762 HydrophobicContact CB-CZ 3.95Å; V760-F762 HydrophobicContact CG1-CD1 4.31Å; V760-F762 HydrophobicContact CG1-CD2 4.2Å; V760-F762 HydrophobicContact CG1-CE1 3.75Å; V760-F762 HydrophobicContact CG1-CE2 3.61Å; V760-F762 HydrophobicContact CG1-CZ 3.36Å; F762-D766 HydrophobicContact CB-CB 4.29Å; F762-D766 HydrophobicContact CD1-CB 4.16Å; F762-M767 HydrophobicContact CB-CG 4.42Å
763	D	42.8	Very low	46.3	Very low	113 Å²	113	91.6 Å²	91.6	60%	0.604	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-81.9	158.1	169.8	-66.6	-40.1	0	0	0	108	E765 D766	D763-E765 PolarHBondContact O-N 3.43Å; D763-D766 PolarHBondContact N-OD2 2.82Å; D763-D766 PolarHBondContact O-N 3.48Å
764	D	40.1	Very low	44.6	Very low	111 Å²	111	96.4 Å²	96.4	59%	0.594	54%	0.536	S	S	*	.	H	α-helix	trans	-55.5	-27	-171.2	-68.8	-42.8	0	0	0	113.3
765	E	40.4	Very low	42.9	Very low	160 Å²	160	101.4 Å²	101.4	75%	0.748	56%	0.564	S	S	*	*	H	α-helix	trans	-71.9	-31	175.8	-67.1	179.9	170.9	0	0	113.4	D763 M767 E768	D763-E765 PolarHBondContact O-N 3.43Å; E765-M767 VanDerWaalsContact C-N 3.27Å; E765-M767 PolarHBondContact O-N 2.79Å; E765-E768 PolarHBondContact O-N 2.79Å
766	D	37.6	Very low	41.6	Very low	49 Å²	49	106.4 Å²	106.4	26%	0.262	59%	0.589	S	S	.	*	H	α-helix	trans	-74.3	-17.8	-178.5	-66	-52.9	0	0	0	113.1	K751 F762 D763	K751-D766 IonicContact NZ-OD2 3.45Å; K751-D766 PolarHBondContact NZ-OD2 3.42Å; F762-D766 HydrophobicContact CB-CB 4.29Å; F762-D766 HydrophobicContact CD1-CB 4.16Å; D763-D766 PolarHBondContact N-OD2 2.82Å; D763-D766 PolarHBondContact O-N 3.48Å
767	M	41.2	Very low	40.9	Very low	105 Å²	105	107.6 Å²	107.6	52%	0.517	60%	0.596	S	S	.	*	H	α-helix	trans	-85.9	-25.3	178.4	-74.6	-144.5	-73.3	0	0	112.9	F762 E765	F762-M767 HydrophobicContact CB-CG 4.42Å; E765-M767 VanDerWaalsContact C-N 3.27Å; E765-M767 PolarHBondContact O-N 2.79Å
768	E	36.9	Very low	40.1	Very low	151 Å²	151	111.7 Å²	111.7	71%	0.706	62%	0.62	S	S	*	*	H	α-helix	trans	-72.7	-38	177.1	-73.1	-174.5	162.9	0	0	111.7	E765 G770 L771	E765-E768 PolarHBondContact O-N 2.79Å; E768-G770 PolarHBondContact O-N 2.84Å; E768-L771 PolarHBondContact O-N 3.37Å
769	D	40.5	Very low	39.8	Very low	136 Å²	136	113.9 Å²	113.9	73%	0.727	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-14.7	177.9	-78.3	-13.4	0	0	0	114
770	G	32.7	Very low	39.4	Very low	56 Å²	56	109.2 Å²	109.2	58%	0.577	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-9.1	177.6	0	0	0	0	0	114.7	E768	E768-G770 PolarHBondContact O-N 2.84Å
771	L	32.2	Very low	38.7	Very low	160 Å²	160	115.8 Å²	115.8	84%	0.838	64%	0.64	S	S	*	*			trans	-102.7	1.4	-178.4	-88.3	151.1	0	0	0	113.4	E768	E768-L771 PolarHBondContact O-N 3.37Å
772	A	27.9	Very low	38.1	Very low	152 Å²	152	112.4 Å²	112.4	100%	1.256	64%	0.638	S	S	*	*			trans	-102.1	0	179.4	0	0	0	0	0	113.7

Retrieved 772 of 772 residues in 355.6 ms (Link to these results)

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