A0A5K4FBZ9_SCHMA Loading...

BUB1 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 550 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	72.5	Confident	189 Å²	189	101.8 Å²	101.8	93%	0.931	53%	0.525	S	S	*	.				0	122.1	0	-76	-178.8	171.1	0	0	107.3
2	S	54.7	Low	73.6	Confident	71 Å²	71	94.8 Å²	94.8	50%	0.497	49%	0.491	S	S	.	.			trans	-59.8	145.2	173.5	36.8	0	0	0	0	110.3	A4 N5	S2-A4 PolarHBondContact O-N 3.11Å; S2-N5 PolarHBondContact O-N 3.37Å; S2-N5 PolarHBondContact OG-OD1 3.5Å
3	E	61.8	Low	74.8	Confident	164 Å²	164	96.8 Å²	96.8	77%	0.766	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-50.8	-29.8	177.4	-71.2	176.1	164.2	0	0	112.6	N5 N6 F7	E3-N5 VanDerWaalsContact C-N 3.25Å; E3-N5 PolarHBondContact O-N 3.3Å; E3-N6 PolarHBondContact O-N 2.99Å; E3-N6 VanDerWaalsContact O-N 3.16Å; E3-F7 VanDerWaalsContact O-CD2 3.28Å; E3-F7 WeakPolarHBondContact O-CD2 3.31Å; E3-F7 WeakPolarHBondContact O-CE2 3.36Å
4	A	60.5	Low	75.7	Confident	73 Å²	73	101.6 Å²	101.6	60%	0.603	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-57	-32.1	174.7	0	0	0	0	0	114.2	S2 N6	S2-A4 PolarHBondContact O-N 3.11Å; A4-N6 VanDerWaalsContact C-N 3.27Å; A4-N6 PolarHBondContact O-N 3.46Å
5	N	65.2	Low	76.3	Confident	56 Å²	56	101.1 Å²	101.1	30%	0.299	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-76.3	-15.2	-177.9	-71.1	16.8	0	0	0	112.7	S2 E3 F7 I33	S2-N5 PolarHBondContact O-N 3.37Å; S2-N5 PolarHBondContact OG-OD1 3.5Å; E3-N5 VanDerWaalsContact C-N 3.25Å; E3-N5 PolarHBondContact O-N 3.3Å; N5-F7 VanDerWaalsContact C-N 3.26Å; N5-F7 PolarHBondContact O-N 3.49Å; N5-I33 HydrophobicContact CB-CD1 3.74Å
6	N	72.6	Confident	76.9	Confident	85 Å²	85	96.8 Å²	96.8	46%	0.455	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-77.7	-11.5	-179.1	-75.2	-9	0	0	0	113.4	E3 A4 W9 N29	E3-N6 PolarHBondContact O-N 2.99Å; E3-N6 VanDerWaalsContact O-N 3.16Å; A4-N6 VanDerWaalsContact C-N 3.27Å; A4-N6 PolarHBondContact O-N 3.46Å; N6-W9 VanDerWaalsContact O-CD1 3.25Å; N6-W9 PolarHBondContact O-NE1 2.9Å; N6-N29 PolarHBondContact O-ND2 2.99Å
7	F	83.8	Confident	77.5	Confident	109 Å²	109	93.8 Å²	93.8	48%	0.478	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-112.5	11.6	-175.2	-55.9	-78	0	0	0	113.9	E3 N5 W9 E10	E3-F7 VanDerWaalsContact O-CD2 3.28Å; E3-F7 WeakPolarHBondContact O-CD2 3.31Å; E3-F7 WeakPolarHBondContact O-CE2 3.36Å; N5-F7 VanDerWaalsContact C-N 3.26Å; N5-F7 PolarHBondContact O-N 3.49Å; F7-W9 PolarHBondContact O-N 3.02Å; F7-E10 WeakPolarHBondContact O-CB 3.31Å; F7-E10 PolarHBondContact O-N 3.4Å
8	E	85.4	Confident	78.1	Confident	41 Å²	41	95.2 Å²	95.2	19%	0.192	49%	0.49	C	S	.	.	H	α-helix	trans	-58.2	-33.4	178.2	-173.6	66.3	-160.4	0	0	111.9	E10 L11 S12 L32 I33	E8-E10 PolarHBondContact O-N 3.02Å; E8-L11 PolarHBondContact O-N 3.05Å; E8-L11 VanDerWaalsContact O-N 3.15Å; E8-S12 PolarHBondContact O-N 3.21Å; E8-L32 HydrophobicContact CB-CB 4.41Å; E8-L32 HydrophobicContact CG-CB 3.53Å; E8-L32 HydrophobicContact CG-CD1 4.45Å; E8-I33 HydrophobicContact CB-CG1 3.9Å; E8-I33 HydrophobicContact CG-CG1 3.87Å
9	W	87.9	Confident	78.5	Confident	91 Å²	91	92.1 Å²	92.1	35%	0.345	48%	0.475	S	S	.	.	H	α-helix	trans	-58.4	-30.8	174.1	72.4	-89.8	0	0	0	113.3	N6 F7 S12 K13 I16 L28 N29 L32	N6-W9 VanDerWaalsContact O-CD1 3.25Å; N6-W9 PolarHBondContact O-NE1 2.9Å; F7-W9 PolarHBondContact O-N 3.02Å; W9-S12 CarbonylContact O-C 3.46Å; W9-S12 PolarHBondContact O-N 3.21Å; W9-K13 WeakPolarHBondContact O-CA 3.33Å; W9-K13 WeakPolarHBondContact O-CB 3.18Å; W9-K13 PolarHBondContact O-N 3.05Å; W9-I16 HydrophobicContact CB-CD1 4.35Å; W9-L28 HydrophobicContact CB-CD2 4.15Å; W9-L28 HydrophobicContact CB-CG 4.48Å; W9-N29 VanDerWaalsContact CD1-OD1 3.32Å; W9-N29 PolarHBondContact N-OD1 3.37Å; W9-L32 HydrophobicContact CB-CD1 4.1Å
10	E	90.1	Very high	78.8	Confident	100 Å²	100	95.7 Å²	95.7	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-69.6	-38.1	177.3	-65.2	-168.3	161.8	0	0	111.6	F7 E8 S12	F7-E10 WeakPolarHBondContact O-CB 3.31Å; F7-E10 PolarHBondContact O-N 3.4Å; E8-E10 PolarHBondContact O-N 3.02Å; E10-S12 VanDerWaalsContact C-N 3.27Å; E10-S12 PolarHBondContact O-N 3.46Å
11	L	87.3	Confident	79	Confident	141 Å²	141	96 Å²	96	74%	0.738	50%	0.497	S	S	*	.	H	α-helix	trans	-68.9	-27.8	177.4	-59.7	179	0	0	0	112.2	E8	E8-L11 PolarHBondContact O-N 3.05Å; E8-L11 VanDerWaalsContact O-N 3.15Å
12	S	85.8	Confident	81	Confident	18 Å²	18	88.9 Å²	88.9	13%	0.126	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	10.1	-175.4	-68.3	0	0	0	0	114.7	E8 W9 E10 E14 N15 I16	E8-S12 PolarHBondContact O-N 3.21Å; W9-S12 CarbonylContact O-C 3.46Å; W9-S12 PolarHBondContact O-N 3.21Å; E10-S12 VanDerWaalsContact C-N 3.27Å; E10-S12 PolarHBondContact O-N 3.46Å; S12-E14 PolarHBondContact O-N 2.94Å; S12-E14 VanDerWaalsContact O-N 3.12Å; S12-N15 WeakPolarHBondContact O-CA 3.44Å; S12-N15 WeakPolarHBondContact O-CB 3.29Å; S12-N15 PolarHBondContact O-N 3.39Å; S12-I16 WeakPolarHBondContact O-CG1 3.43Å
13	K	89.5	Confident	82.6	Confident	120 Å²	120	88.2 Å²	88.2	52%	0.522	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-55	-34.7	-173.2	68.1	-173.7	-178.1	-175.8	0	114.6	W9 N15 I16	W9-K13 WeakPolarHBondContact O-CA 3.33Å; W9-K13 WeakPolarHBondContact O-CB 3.18Å; W9-K13 PolarHBondContact O-N 3.05Å; K13-N15 PolarHBondContact O-N 3.32Å; K13-I16 PolarHBondContact O-N 3.11Å; K13-I16 VanDerWaalsContact O-N 3.17Å
14	E	87.8	Confident	83.9	Confident	165 Å²	165	83 Å²	83	77%	0.771	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.6	177.4	-57.1	-55.9	135.5	0	0	112.7	S12	S12-E14 PolarHBondContact O-N 2.94Å; S12-E14 VanDerWaalsContact O-N 3.12Å
15	N	84.2	Confident	85.2	Confident	94 Å²	94	83.6 Å²	83.6	50%	0.503	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-97.8	13.6	177.9	-61.4	-43.6	0	0	0	112.6	S12 K13 P80 S81	S12-N15 WeakPolarHBondContact O-CA 3.44Å; S12-N15 WeakPolarHBondContact O-CB 3.29Å; S12-N15 PolarHBondContact O-N 3.39Å; K13-N15 PolarHBondContact O-N 3.32Å; N15-P80 CarbonylContact O-C 3.54Å; N15-S81 WeakPolarHBondContact O-CA 3.5Å; N15-S81 VanDerWaalsContact O-CB 3.25Å; N15-S81 WeakPolarHBondContact O-CB 3.17Å; N15-S81 PolarHBondContact O-N 2.73Å; N15-S81 VanDerWaalsContact O-N 3.14Å; N15-S81 PolarHBondContact O-OG 3.21Å
16	I	86.7	Confident	86.2	Confident	32 Å²	32	88.7 Å²	88.7	16%	0.164	46%	0.459	C	S	.	.			trans	-114.9	111	-176.5	-58.4	166.2	0	0	0	109.1	W9 S12 K13 P18 L28 L32 P80	W9-I16 HydrophobicContact CB-CD1 4.35Å; S12-I16 WeakPolarHBondContact O-CG1 3.43Å; K13-I16 PolarHBondContact O-N 3.11Å; K13-I16 VanDerWaalsContact O-N 3.17Å; I16-P18 WeakPolarHBondContact O-CD 3.26Å; I16-L28 HydrophobicContact CD1-CD1 4.11Å; I16-L28 HydrophobicContact CD1-CD2 3.93Å; I16-L28 HydrophobicContact CD1-CG 4.32Å; I16-L28 HydrophobicContact CG1-CD1 4.25Å; I16-L28 HydrophobicContact CG2-CD1 4.41Å; I16-L28 HydrophobicContact CG2-CD2 4.45Å; I16-L32 HydrophobicContact CD1-CD1 4.06Å; I16-P80 HydrophobicContact CG1-CB 4.19Å; I16-P80 HydrophobicContact CG2-CB 4.47Å
17	K	86.2	Confident	86.9	Confident	46 Å²	46	86 Å²	86	20%	0.2	44%	0.444	C	S	.	.			trans	-66.5	125.6	174.2	-175.3	-171.5	-179.1	-176.5	0	109.4	L19 R23 P80 L82 G83 E120	K17-L19 HydrophobicContact CD-CD2 4.32Å; K17-L19 PolarHBondContact O-N 2.85Å; K17-R23 PolarHBondContact O-NE 3.08Å; K17-R23 PolarHBondContact O-NH2 2.97Å; K17-P80 PolarHBondContact N-O 3.04Å; K17-L82 WeakPolarHBondContact CD-O 3.26Å; K17-G83 PolarHBondContact NZ-O 3.1Å; K17-E120 IonicContact NZ-OE2 3.61Å; K17-E120 PolarHBondContact NZ-OE2 3.01Å
18	P	88.5	Confident	87.1	Confident	118 Å²	118	81.7 Å²	81.7	77%	0.766	43%	0.426	S	S	*	.			trans	-66.9	128.4	172.7	27.2	-32.8	0	0	0	109.8	I16	I16-P18 WeakPolarHBondContact O-CD 3.26Å
19	L	85.8	Confident	87.3	Confident	37 Å²	37	80.3 Å²	80.3	19%	0.194	42%	0.42	C	S	.	.			trans	-107.9	140.2	176	-60.5	-179.3	0	0	0	109.3	K17 S21 G22 R23 E76	K17-L19 HydrophobicContact CD-CD2 4.32Å; K17-L19 PolarHBondContact O-N 2.85Å; L19-S21 PolarHBondContact O-N 3.08Å; L19-G22 PolarHBondContact O-N 3.48Å; L19-R23 HydrophobicContact CD1-CG 3.92Å; L19-R23 HydrophobicContact CG-CG 4.38Å; L19-E76 HydrophobicContact CD1-CB 4.27Å
20	K	83.7	Confident	87.2	Confident	163 Å²	163	77.8 Å²	77.8	71%	0.709	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.3	177.2	-66.5	-175.2	-177.3	179.5	0	112.6	G22	K20-G22 VanDerWaalsContact C-N 3.31Å
21	S	83.8	Confident	87	Confident	102 Å²	102	73 Å²	73	71%	0.713	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.5	177.3	57.4	0	0	0	0	114.2	L19	L19-S21 PolarHBondContact O-N 3.08Å
22	G	88.8	Confident	86.9	Confident	40 Å²	40	66.7 Å²	66.7	41%	0.412	36%	0.356	S	S	.	.			trans	73.3	-176.4	-167.9	0	0	0	0	0	113.6	L19 K20	L19-G22 PolarHBondContact O-N 3.48Å; K20-G22 VanDerWaalsContact C-N 3.31Å
23	R	89.5	Confident	86.9	Confident	57 Å²	57	69 Å²	69	22%	0.215	37%	0.366	C	S	.	.			trans	-135.6	150	178.5	-69.1	174.9	178.7	-93	1.3	109.2	K17 L19 V25 E76 P80	K17-R23 PolarHBondContact O-NE 3.08Å; K17-R23 PolarHBondContact O-NH2 2.97Å; L19-R23 HydrophobicContact CD1-CG 3.92Å; L19-R23 HydrophobicContact CG-CG 4.38Å; R23-V25 PolarHBondContact O-N 3.49Å; R23-E76 PolarHBondContact NH1-O 2.93Å; R23-P80 PolarHBondContact NH2-O 3.44Å; R23-P80 VanDerWaalsContact NH2-O 3.13Å
24	S	87.7	Confident	86.7	Confident	55 Å²	55	64.6 Å²	64.6	39%	0.385	35%	0.351	S	S	.	.			trans	-71.6	124	168.5	172.5	0	0	0	0	109.4	L28	S24-L28 WeakPolarHBondContact O-CB 3.1Å; S24-L28 PolarHBondContact O-N 3.3Å
25	V	88.7	Confident	86.3	Confident	85 Å²	85	60 Å²	60	52%	0.515	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-38.8	-178.8	180	0	0	0	0	111.1	R23 L28 N29	R23-V25 PolarHBondContact O-N 3.49Å; V25-L28 PolarHBondContact O-N 2.81Å; V25-N29 PolarHBondContact O-N 3.08Å
26	E	87.3	Confident	85.9	Confident	163 Å²	163	66.5 Å²	66.5	76%	0.762	35%	0.347	S	S	*	.	H	α-helix	trans	-62	-51.1	179.4	-63.7	177	175.4	0	0	111.3	L28 N29 K30	E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.35Å; E26-N29 PolarHBondContact O-N 3.04Å; E26-K30 PolarHBondContact O-N 2.86Å
27	L	86.2	Confident	85.7	Confident	30 Å²	30	67.3 Å²	67.3	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-65.5	-38.1	178.4	-174.9	58.5	0	0	0	111.2	K30 V31 Q77	L27-K30 PolarHBondContact O-N 3.1Å; L27-V31 HydrophobicContact CD1-CG2 4.18Å; L27-V31 HydrophobicContact CG-CG2 4.32Å; L27-V31 WeakPolarHBondContact O-CB 3.41Å; L27-V31 WeakPolarHBondContact O-CG2 3.49Å; L27-V31 PolarHBondContact O-N 3.01Å; L27-Q77 HydrophobicContact CD2-CB 3.59Å; L27-Q77 HydrophobicContact CD2-CG 3.91Å
28	L	88.1	Confident	85.3	Confident	17 Å²	17	72 Å²	72	9%	0.089	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-49.6	176.6	-179.4	61.7	0	0	0	111.5	W9 I16 S24 V25 E26 K30 V31 L32 P80	W9-L28 HydrophobicContact CB-CD2 4.15Å; W9-L28 HydrophobicContact CB-CG 4.48Å; I16-L28 HydrophobicContact CD1-CD1 4.11Å; I16-L28 HydrophobicContact CD1-CD2 3.93Å; I16-L28 HydrophobicContact CD1-CG 4.32Å; I16-L28 HydrophobicContact CG1-CD1 4.25Å; I16-L28 HydrophobicContact CG2-CD1 4.41Å; I16-L28 HydrophobicContact CG2-CD2 4.45Å; S24-L28 WeakPolarHBondContact O-CB 3.1Å; S24-L28 PolarHBondContact O-N 3.3Å; V25-L28 PolarHBondContact O-N 2.81Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.35Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 3.33Å; L28-V31 PolarHBondContact O-N 3.26Å; L28-L32 HydrophobicContact CD1-CD1 3.96Å; L28-L32 HydrophobicContact CD1-CG 4.16Å; L28-L32 HydrophobicContact CG-CD1 3.9Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.03Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.34Å; L28-P80 HydrophobicContact CD1-CB 3.73Å; L28-P80 HydrophobicContact CD1-CG 4.25Å
29	N	89.3	Confident	84.8	Confident	12 Å²	12	71 Å²	71	6%	0.064	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-45.1	176.5	-80.3	-23.8	0	0	0	111.2	N6 W9 V25 E26 V31 L32 I33	N6-N29 PolarHBondContact O-ND2 2.99Å; W9-N29 VanDerWaalsContact CD1-OD1 3.32Å; W9-N29 PolarHBondContact N-OD1 3.37Å; V25-N29 PolarHBondContact O-N 3.08Å; E26-N29 PolarHBondContact O-N 3.04Å; N29-V31 PolarHBondContact O-N 2.94Å; N29-L32 PolarHBondContact O-N 3.23Å; N29-I33 WeakPolarHBondContact O-CB 3.42Å; N29-I33 WeakPolarHBondContact O-CD1 3.3Å; N29-I33 WeakPolarHBondContact O-CG1 3.31Å; N29-I33 PolarHBondContact O-N 2.99Å
30	K	85.8	Confident	84.5	Confident	38 Å²	38	69.5 Å²	69.5	17%	0.165	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-47.1	177.1	-175.1	-178.3	177.5	-174.2	0	112.3	E26 L27 L28 S34 D500 E502	E26-K30 PolarHBondContact O-N 2.86Å; L27-K30 PolarHBondContact O-N 3.1Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 3.33Å; K30-S34 VanDerWaalsContact O-CB 3.24Å; K30-S34 WeakPolarHBondContact O-CB 3.43Å; K30-S34 PolarHBondContact O-N 3.32Å; K30-S34 PolarHBondContact O-OG 2.56Å; K30-D500 IonicContact NZ-OD2 2.76Å; K30-E502 WeakPolarHBondContact CD-OE1 3.02Å; K30-E502 WeakPolarHBondContact CD-OE2 3.18Å; K30-E502 IonicContact NZ-OE1 2.78Å; K30-E502 PolarHBondContact NZ-OE1 3.09Å; K30-E502 IonicContact NZ-OE2 2.86Å; K30-E502 PolarHBondContact NZ-OE2 2.8Å
31	V	86.3	Confident	84.2	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-43.2	179.5	170.5	0	0	0	0	110.9	L27 L28 N29 S34 Q35 F40 N78 P80	L27-V31 HydrophobicContact CD1-CG2 4.18Å; L27-V31 HydrophobicContact CG-CG2 4.32Å; L27-V31 WeakPolarHBondContact O-CB 3.41Å; L27-V31 WeakPolarHBondContact O-CG2 3.49Å; L27-V31 PolarHBondContact O-N 3.01Å; L28-V31 PolarHBondContact O-N 3.26Å; N29-V31 PolarHBondContact O-N 2.94Å; V31-S34 PolarHBondContact O-N 3.41Å; V31-Q35 WeakPolarHBondContact O-CB 3.42Å; V31-Q35 PolarHBondContact O-N 2.73Å; V31-F40 HydrophobicContact CB-CZ 4.28Å; V31-F40 HydrophobicContact CG1-CE1 4.39Å; V31-F40 HydrophobicContact CG1-CZ 4.21Å; V31-F40 HydrophobicContact CG2-CZ 4.09Å; V31-N78 WeakPolarHBondContact CG1-O 3.34Å; V31-P80 HydrophobicContact CG1-CG 4.19Å
32	L	86	Confident	83.9	Confident	7 Å²	7	63 Å²	63	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-68.1	-46.2	-178.8	-69.4	171.5	0	0	0	112.1	E8 W9 I16 L28 N29 S34 Q35 P80	E8-L32 HydrophobicContact CB-CB 4.41Å; E8-L32 HydrophobicContact CG-CB 3.53Å; E8-L32 HydrophobicContact CG-CD1 4.45Å; W9-L32 HydrophobicContact CB-CD1 4.1Å; I16-L32 HydrophobicContact CD1-CD1 4.06Å; L28-L32 HydrophobicContact CD1-CD1 3.96Å; L28-L32 HydrophobicContact CD1-CG 4.16Å; L28-L32 HydrophobicContact CG-CD1 3.9Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.03Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.34Å; N29-L32 PolarHBondContact O-N 3.23Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 3.31Å; L32-Q35 WeakPolarHBondContact O-CB 3.49Å; L32-Q35 PolarHBondContact O-N 3.03Å; L32-P80 HydrophobicContact CD2-CG 3.93Å
33	I	85.5	Confident	83.5	Confident	66 Å²	66	62 Å²	62	34%	0.338	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-43.6	176.7	-66.3	163.3	0	0	0	110.2	N5 E8 N29 Q35	N5-I33 HydrophobicContact CB-CD1 3.74Å; E8-I33 HydrophobicContact CB-CG1 3.9Å; E8-I33 HydrophobicContact CG-CG1 3.87Å; N29-I33 WeakPolarHBondContact O-CB 3.42Å; N29-I33 WeakPolarHBondContact O-CD1 3.3Å; N29-I33 WeakPolarHBondContact O-CG1 3.31Å; N29-I33 PolarHBondContact O-N 2.99Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 3.2Å
34	S	84.6	Confident	83.2	Confident	29 Å²	29	60 Å²	60	20%	0.203	30%	0.298	C	S	.	.	H	α-helix	trans	-83.8	-5.2	-174.3	-48.3	0	0	0	0	113.1	K30 V31 L32 R36 S37 F40	K30-S34 VanDerWaalsContact O-CB 3.24Å; K30-S34 WeakPolarHBondContact O-CB 3.43Å; K30-S34 PolarHBondContact O-N 3.32Å; K30-S34 PolarHBondContact O-OG 2.56Å; V31-S34 PolarHBondContact O-N 3.41Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 3.31Å; S34-R36 PolarHBondContact O-N 3.18Å; S34-R36 VanDerWaalsContact O-N 3.12Å; S34-S37 WeakPolarHBondContact O-CB 3.49Å; S34-S37 PolarHBondContact O-N 2.89Å; S34-F40 VanDerWaalsContact CB-CG 3.43Å; S34-F40 WeakPolarHBondContact O-CB 3.41Å; S34-F40 VanDerWaalsContact O-CD1 3.24Å; S34-F40 WeakPolarHBondContact O-CD1 3.39Å
35	Q	79	Confident	83	Confident	69 Å²	69	64.6 Å²	64.6	32%	0.322	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.3	-170.7	-168.5	164.8	-0.3	0	0	113.2	V31 L32 I33 Q41	V31-Q35 WeakPolarHBondContact O-CB 3.42Å; V31-Q35 PolarHBondContact O-N 2.73Å; L32-Q35 WeakPolarHBondContact O-CB 3.49Å; L32-Q35 PolarHBondContact O-N 3.03Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 3.2Å; Q35-Q41 PolarHBondContact O-NE2 3.29Å
36	R	76.6	Confident	82.6	Confident	230 Å²	230	63 Å²	63	87%	0.868	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.7	176.8	-63.8	-171.4	179.3	112.6	-0.7	114	S34 N38	S34-R36 PolarHBondContact O-N 3.18Å; S34-R36 VanDerWaalsContact O-N 3.12Å; R36-N38 PolarHBondContact O-N 2.77Å
37	S	82	Confident	82.6	Confident	49 Å²	49	55.2 Å²	55.2	34%	0.343	26%	0.259	S	S	.	.			trans	-76.4	122.9	-179.7	175.8	0	0	0	0	111	S34 E39 F40 Q41	S34-S37 WeakPolarHBondContact O-CB 3.49Å; S34-S37 PolarHBondContact O-N 2.89Å; S37-E39 PolarHBondContact O-N 3.47Å; S37-E39 PolarHBondContact OG-N 2.78Å; S37-F40 PolarHBondContact O-N 3.14Å; S37-Q41 WeakPolarHBondContact O-CG 3.35Å; S37-Q41 PolarHBondContact O-N 3.42Å
38	N	78.3	Confident	82.6	Confident	143 Å²	143	56.2 Å²	56.2	77%	0.765	26%	0.261	S	S	*	.	H	α-helix	trans	-59.3	-34.2	174.9	-73.6	-27.2	0	0	0	112.3	R36 Q41 L42	R36-N38 PolarHBondContact O-N 2.77Å; N38-Q41 PolarHBondContact O-N 2.76Å; N38-L42 WeakPolarHBondContact O-CB 3.4Å; N38-L42 PolarHBondContact O-N 2.83Å
39	E	78.4	Confident	82.4	Confident	99 Å²	99	58.6 Å²	58.6	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-64.5	-46.9	177.6	-172.7	-173.2	157.5	0	0	111	S37 Q41 L42 R43 F498	S37-E39 PolarHBondContact O-N 3.47Å; S37-E39 PolarHBondContact OG-N 2.78Å; E39-Q41 VanDerWaalsContact C-N 3.35Å; E39-Q41 PolarHBondContact O-N 3.16Å; E39-L42 WeakPolarHBondContact O-CB 3.29Å; E39-L42 PolarHBondContact O-N 2.92Å; E39-L42 VanDerWaalsContact O-N 3.15Å; E39-R43 WeakPolarHBondContact O-CG 3.41Å; E39-R43 PolarHBondContact O-N 3.47Å; E39-R43 IonicContact OE1-CZ 3.34Å; E39-R43 IonicContact OE1-NH1 2.67Å; E39-R43 PolarHBondContact OE1-NH1 3.32Å; E39-R43 IonicContact OE1-NH2 2.66Å; E39-F498 HydrophobicContact CG-CE2 4.14Å; E39-F498 HydrophobicContact CG-CZ 4.38Å
40	F	79	Confident	82.2	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-41.9	175.6	-180	-104.8	0	0	0	111.9	V31 S34 S37 L42 R43 R44	V31-F40 HydrophobicContact CB-CZ 4.28Å; V31-F40 HydrophobicContact CG1-CE1 4.39Å; V31-F40 HydrophobicContact CG1-CZ 4.21Å; V31-F40 HydrophobicContact CG2-CZ 4.09Å; S34-F40 VanDerWaalsContact CB-CG 3.43Å; S34-F40 WeakPolarHBondContact O-CB 3.41Å; S34-F40 VanDerWaalsContact O-CD1 3.24Å; S34-F40 WeakPolarHBondContact O-CD1 3.39Å; S37-F40 PolarHBondContact O-N 3.14Å; F40-L42 VanDerWaalsContact C-N 3.3Å; F40-L42 PolarHBondContact O-N 3.07Å; F40-R43 PolarHBondContact O-N 3.05Å; F40-R44 HydrophobicContact CD1-CG 4.37Å; F40-R44 HydrophobicContact CE1-CG 4.05Å; F40-R44 HydrophobicContact CE2-CG 4.34Å; F40-R44 HydrophobicContact CZ-CG 4.02Å; F40-R44 WeakPolarHBondContact O-CG 3.4Å; F40-R44 PolarHBondContact O-N 2.86Å
41	Q	78.3	Confident	82.4	Confident	67 Å²	67	58.7 Å²	58.7	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-43.1	173.5	-66.2	-59.7	-28.7	0	0	112.1	Q35 S37 N38 E39 R45	Q35-Q41 PolarHBondContact O-NE2 3.29Å; S37-Q41 WeakPolarHBondContact O-CG 3.35Å; S37-Q41 PolarHBondContact O-N 3.42Å; N38-Q41 PolarHBondContact O-N 2.76Å; E39-Q41 VanDerWaalsContact C-N 3.35Å; E39-Q41 PolarHBondContact O-N 3.16Å; Q41-R45 WeakPolarHBondContact O-CB 3.45Å; Q41-R45 PolarHBondContact O-N 3.17Å
42	L	76.7	Confident	82.5	Confident	62 Å²	62	60.6 Å²	60.6	33%	0.325	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-46.8	177.5	-179.1	58.6	0	0	0	111.5	N38 E39 F40 R44 R45 L46 F498	N38-L42 WeakPolarHBondContact O-CB 3.4Å; N38-L42 PolarHBondContact O-N 2.83Å; E39-L42 WeakPolarHBondContact O-CB 3.29Å; E39-L42 PolarHBondContact O-N 2.92Å; E39-L42 VanDerWaalsContact O-N 3.15Å; F40-L42 VanDerWaalsContact C-N 3.3Å; F40-L42 PolarHBondContact O-N 3.07Å; L42-R44 PolarHBondContact O-N 3.13Å; L42-R45 WeakPolarHBondContact O-CB 3.29Å; L42-R45 PolarHBondContact O-N 3.35Å; L42-R45 VanDerWaalsContact O-N 3.14Å; L42-L46 HydrophobicContact CD1-CD1 4.44Å; L42-L46 HydrophobicContact CD1-CG 4.27Å; L42-L46 HydrophobicContact CG-CD1 4.34Å; L42-L46 WeakPolarHBondContact O-CG 3.01Å; L42-L46 PolarHBondContact O-N 3.31Å; L42-F498 HydrophobicContact CB-CZ 4.2Å; L42-F498 HydrophobicContact CD2-CE1 4.39Å; L42-F498 HydrophobicContact CD2-CE2 4.34Å; L42-F498 HydrophobicContact CD2-CZ 3.64Å; L42-F498 HydrophobicContact CG-CE1 4.15Å; L42-F498 HydrophobicContact CG-CZ 3.77Å
43	R	80.4	Confident	82.5	Confident	20 Å²	20	62.4 Å²	62.4	8%	0.075	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-48.3	175.2	-72.4	-163.4	-58.9	-125.7	-2.1	112.2	E39 F40 R45 L46 L47 F498 W499 D500 E503	E39-R43 WeakPolarHBondContact O-CG 3.41Å; E39-R43 PolarHBondContact O-N 3.47Å; E39-R43 IonicContact OE1-CZ 3.34Å; E39-R43 IonicContact OE1-NH1 2.67Å; E39-R43 PolarHBondContact OE1-NH1 3.32Å; E39-R43 IonicContact OE1-NH2 2.66Å; F40-R43 PolarHBondContact O-N 3.05Å; R43-R45 VanDerWaalsContact C-N 3.28Å; R43-R45 PolarHBondContact O-N 3.16Å; R43-L46 PolarHBondContact O-N 3.06Å; R43-L47 WeakPolarHBondContact O-CB 3.49Å; R43-L47 PolarHBondContact O-N 3.03Å; R43-F498 HydrophobicContact CB-CE1 4.25Å; R43-F498 WeakPolarHBondContact CD-O 3.36Å; R43-F498 HydrophobicContact CG-CD1 3.75Å; R43-F498 HydrophobicContact CG-CE1 3.21Å; R43-F498 HydrophobicContact CG-CE2 4.49Å; R43-F498 HydrophobicContact CG-CZ 3.62Å; R43-F498 PolarHBondContact NH1-O 3.18Å; R43-W499 HydrophobicContact CB-CZ3 4.28Å; R43-D500 VanDerWaalsContact CZ-CG 3.47Å; R43-D500 IonicContact CZ-OD1 2.74Å; R43-D500 VanDerWaalsContact CZ-OD1 3.32Å; R43-D500 IonicContact CZ-OD2 2.88Å; R43-D500 IonicContact NE-OD2 2.77Å; R43-D500 IonicContact NH1-OD1 3.8Å; R43-D500 PolarHBondContact NH1-OD1 3.13Å; R43-D500 IonicContact NH2-OD1 3.03Å; R43-D500 PolarHBondContact NH2-OD1 2.85Å; R43-D500 VanDerWaalsContact NH2-OD1 3.14Å; R43-D500 IonicContact NH2-OD2 3.63Å; R43-D500 PolarHBondContact NH2-OD2 3.28Å; R43-E503 WeakPolarHBondContact CD-OE2 3.48Å; R43-E503 IonicContact NE-OE1 3.69Å; R43-E503 IonicContact NE-OE2 3.69Å; R43-E503 PolarHBondContact NE-OE2 2.94Å
44	R	82.7	Confident	82.6	Confident	13 Å²	13	61.8 Å²	61.8	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-40.4	175.5	-70.6	-165.4	-54.1	171.5	14.4	112.5	F40 L42 R48 W74 N78	F40-R44 HydrophobicContact CD1-CG 4.37Å; F40-R44 HydrophobicContact CE1-CG 4.05Å; F40-R44 HydrophobicContact CE2-CG 4.34Å; F40-R44 HydrophobicContact CZ-CG 4.02Å; F40-R44 WeakPolarHBondContact O-CG 3.4Å; F40-R44 PolarHBondContact O-N 2.86Å; L42-R44 PolarHBondContact O-N 3.13Å; R44-R48 WeakPolarHBondContact O-CB 3.24Å; R44-R48 PolarHBondContact O-N 3.25Å; R44-W74 HydrophobicContact CB-CZ2 4.44Å; R44-W74 WeakPolarHBondContact O-CH2 3.38Å; R44-N78 PolarHBondContact NH1-O 3.4Å
45	R	82.8	Confident	82.8	Confident	152 Å²	152	60.5 Å²	60.5	57%	0.574	27%	0.274	S	S	*	.	H	α-helix	trans	-67	-47.5	178.2	-176.4	176.3	65.4	110.7	-2.6	111.8	Q41 L42 R43 L47 R48 E49	Q41-R45 WeakPolarHBondContact O-CB 3.45Å; Q41-R45 PolarHBondContact O-N 3.17Å; L42-R45 WeakPolarHBondContact O-CB 3.29Å; L42-R45 PolarHBondContact O-N 3.35Å; L42-R45 VanDerWaalsContact O-N 3.14Å; R43-R45 VanDerWaalsContact C-N 3.28Å; R43-R45 PolarHBondContact O-N 3.16Å; R45-L47 VanDerWaalsContact C-N 3.34Å; R45-L47 PolarHBondContact O-N 3.33Å; R45-R48 WeakPolarHBondContact O-CB 3.31Å; R45-R48 PolarHBondContact O-N 2.73Å; R45-E49 PolarHBondContact O-N 3.18Å
46	L	82	Confident	83.2	Confident	51 Å²	51	59.7 Å²	59.7	27%	0.267	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-40.3	178.5	-69.4	179.9	0	0	0	111.8	L42 R43 R48 E49 Y50 F498 W499	L42-L46 HydrophobicContact CD1-CD1 4.44Å; L42-L46 HydrophobicContact CD1-CG 4.27Å; L42-L46 HydrophobicContact CG-CD1 4.34Å; L42-L46 WeakPolarHBondContact O-CG 3.01Å; L42-L46 PolarHBondContact O-N 3.31Å; R43-L46 PolarHBondContact O-N 3.06Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-E49 WeakPolarHBondContact O-CB 3.23Å; L46-E49 PolarHBondContact O-N 3.06Å; L46-Y50 PolarHBondContact O-N 3.38Å; L46-F498 HydrophobicContact CD1-CD1 4.03Å; L46-F498 HydrophobicContact CD1-CE1 3.65Å; L46-W499 HydrophobicContact CB-CH2 3.65Å; L46-W499 HydrophobicContact CB-CZ2 4.36Å; L46-W499 HydrophobicContact CB-CZ3 4.45Å
47	L	85.9	Confident	83.5	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-37.9	178.8	-171.8	57.8	0	0	0	111.2	R43 R45 E49 Y50 F51 W74 W499 E503 L506 I507	R43-L47 WeakPolarHBondContact O-CB 3.49Å; R43-L47 PolarHBondContact O-N 3.03Å; R45-L47 VanDerWaalsContact C-N 3.34Å; R45-L47 PolarHBondContact O-N 3.33Å; L47-E49 VanDerWaalsContact C-N 3.34Å; L47-Y50 HydrophobicContact CD1-CD1 4.41Å; L47-Y50 WeakPolarHBondContact O-CB 3.45Å; L47-Y50 PolarHBondContact O-N 3.17Å; L47-F51 HydrophobicContact CD1-CE2 4.3Å; L47-F51 HydrophobicContact CD2-CE2 4.49Å; L47-F51 HydrophobicContact CG-CD2 4.23Å; L47-F51 HydrophobicContact CG-CE2 3.97Å; L47-F51 WeakPolarHBondContact O-CD2 3.46Å; L47-F51 PolarHBondContact O-N 3.48Å; L47-W74 HydrophobicContact CB-CZ2 4.14Å; L47-W74 HydrophobicContact CD2-CZ2 3.87Å; L47-W74 HydrophobicContact CG-CZ2 4.15Å; L47-W499 HydrophobicContact CB-CH2 3.98Å; L47-W499 HydrophobicContact CB-CZ3 3.87Å; L47-W499 HydrophobicContact CD1-CH2 4.46Å; L47-E503 HydrophobicContact CD2-CG 4.34Å; L47-L506 HydrophobicContact CD2-CD1 4.2Å; L47-I507 HydrophobicContact CD1-CD1 4.42Å; L47-I507 HydrophobicContact CD1-CG1 4.04Å
48	R	87.2	Confident	83.7	Confident	51 Å²	51	51.8 Å²	51.8	19%	0.192	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-46.8	170.9	-169.8	-175.2	-78.1	-142.5	3.9	111.3	R44 R45 L46 Y50 F51 E52 Y71 W74 Y79 D87	R44-R48 WeakPolarHBondContact O-CB 3.24Å; R44-R48 PolarHBondContact O-N 3.25Å; R45-R48 WeakPolarHBondContact O-CB 3.31Å; R45-R48 PolarHBondContact O-N 2.73Å; L46-R48 VanDerWaalsContact C-N 3.34Å; R48-Y50 VanDerWaalsContact C-N 3.3Å; R48-Y50 PolarHBondContact O-N 2.84Å; R48-F51 PolarHBondContact O-N 3.33Å; R48-E52 WeakPolarHBondContact O-CG 3.46Å; R48-E52 PolarHBondContact O-N 3.26Å; R48-Y71 HydrophobicContact CG-CE2 4.2Å; R48-Y71 WeakPolarHBondContact CG-OH 3.32Å; R48-W74 HydrophobicContact CB-CH2 4.1Å; R48-W74 HydrophobicContact CB-CZ3 4.2Å; R48-W74 HydrophobicContact CG-CZ3 4.48Å; R48-Y79 PolarHBondContact NH2-OH 3.45Å; R48-Y79 VanDerWaalsContact NH2-OH 3.15Å; R48-D87 IonicContact CZ-OD2 3.37Å; R48-D87 IonicContact NH1-OD2 3.62Å; R48-D87 PolarHBondContact NH1-OD2 2.92Å; R48-D87 IonicContact NH2-OD2 3.35Å
49	E	83.1	Confident	84	Confident	67 Å²	67	49.3 Å²	49.3	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-39.9	176.7	-174.8	174	178.9	0	0	111.7	R45 L46 L47 E52 L53	R45-E49 PolarHBondContact O-N 3.18Å; L46-E49 WeakPolarHBondContact O-CB 3.23Å; L46-E49 PolarHBondContact O-N 3.06Å; L47-E49 VanDerWaalsContact C-N 3.34Å; E49-E52 PolarHBondContact O-N 3.41Å; E49-L53 HydrophobicContact CG-CD1 4.11Å; E49-L53 HydrophobicContact CG-CG 4.46Å; E49-L53 WeakPolarHBondContact O-CB 3.49Å; E49-L53 VanDerWaalsContact O-CG 3.3Å; E49-L53 WeakPolarHBondContact O-CG 3.09Å; E49-L53 PolarHBondContact O-N 3.21Å
50	Y	86.2	Confident	84.2	Confident	51 Å²	51	48.3 Å²	48.3	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-47.8	174.6	-174.6	-105	0	0	0	112.2	L46 L47 R48 E52 L53 K54 I507 I510 N511	L46-Y50 PolarHBondContact O-N 3.38Å; L47-Y50 HydrophobicContact CD1-CD1 4.41Å; L47-Y50 WeakPolarHBondContact O-CB 3.45Å; L47-Y50 PolarHBondContact O-N 3.17Å; R48-Y50 VanDerWaalsContact C-N 3.3Å; R48-Y50 PolarHBondContact O-N 2.84Å; Y50-E52 VanDerWaalsContact C-N 3.34Å; Y50-E52 PolarHBondContact O-N 3.4Å; Y50-L53 PolarHBondContact O-N 3.14Å; Y50-K54 HydrophobicContact CD1-CG 4.43Å; Y50-K54 HydrophobicContact CE1-CG 4.16Å; Y50-K54 VanDerWaalsContact CE2-CE 3.46Å; Y50-K54 HydrophobicContact CE2-CG 4.41Å; Y50-K54 VanDerWaalsContact O-CG 3.31Å; Y50-K54 WeakPolarHBondContact O-CG 3.25Å; Y50-K54 PolarHBondContact O-N 3.4Å; Y50-K54 WeakPolarHBondContact OH-CE 3.49Å; Y50-I507 HydrophobicContact CD1-CG1 4.42Å; Y50-I507 HydrophobicContact CE1-CG1 4.22Å; Y50-I507 HydrophobicContact CE1-CG2 4.25Å; Y50-I510 HydrophobicContact CD1-CD1 3.89Å; Y50-I510 HydrophobicContact CE1-CB 4.18Å; Y50-I510 HydrophobicContact CE1-CD1 3.82Å; Y50-I510 HydrophobicContact CE1-CG2 3.77Å; Y50-N511 PolarHBondContact OH-OD1 2.55Å
51	F	89	Confident	84.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.1	-48.1	174	-83.5	-70.8	0	0	0	111.9	L47 R48 K54 L55 L67 R70 Y71 W74 L506 I510	L47-F51 HydrophobicContact CD1-CE2 4.3Å; L47-F51 HydrophobicContact CD2-CE2 4.49Å; L47-F51 HydrophobicContact CG-CD2 4.23Å; L47-F51 HydrophobicContact CG-CE2 3.97Å; L47-F51 WeakPolarHBondContact O-CD2 3.46Å; L47-F51 PolarHBondContact O-N 3.48Å; R48-F51 PolarHBondContact O-N 3.33Å; F51-K54 PolarHBondContact O-N 3.34Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 VanDerWaalsContact O-CG 3.29Å; F51-L55 WeakPolarHBondContact O-CG 3.2Å; F51-L55 PolarHBondContact O-N 3.49Å; F51-L67 HydrophobicContact CD1-CD1 3.83Å; F51-L67 HydrophobicContact CD1-CG 4.46Å; F51-L67 HydrophobicContact CE1-CD1 3.94Å; F51-R70 HydrophobicContact CE1-CG 4.38Å; F51-Y71 HydrophobicContact CB-CD1 4.38Å; F51-Y71 HydrophobicContact CB-CD2 3.62Å; F51-Y71 HydrophobicContact CB-CE1 4.49Å; F51-Y71 HydrophobicContact CB-CE2 3.74Å; F51-Y71 HydrophobicContact CB-CG 3.98Å; F51-Y71 AromaticContact CD1-CD2 3.83Å; F51-Y71 HydrophobicContact CD1-CD2 3.83Å; F51-Y71 AromaticContact CD1-CG 3.94Å; F51-Y71 HydrophobicContact CD1-CG 3.94Å; F51-Y71 AromaticContact CD2-CD2 3.46Å; F51-Y71 HydrophobicContact CD2-CD2 3.46Å; F51-Y71 VanDerWaalsContact CD2-CD2 3.46Å; F51-Y71 AromaticContact CD2-CE2 3.84Å; F51-Y71 HydrophobicContact CD2-CE2 3.84Å; F51-Y71 HydrophobicContact CD2-CG 4.38Å; F51-Y71 HydrophobicContact CE1-CD2 4.32Å; F51-Y71 HydrophobicContact CE2-CD2 4.01Å; F51-Y71 AromaticContact CG-CD2 3.37Å; F51-Y71 HydrophobicContact CG-CD2 3.37Å; F51-Y71 AromaticContact CG-CE2 3.9Å; F51-Y71 HydrophobicContact CG-CE2 3.9Å; F51-Y71 AromaticContact CG-CG 3.87Å; F51-Y71 HydrophobicContact CG-CG 3.87Å; F51-Y71 HydrophobicContact CZ-CD2 4.4Å; F51-W74 HydrophobicContact CD2-CE3 4.4Å; F51-W74 HydrophobicContact CE2-CB 4.21Å; F51-W74 AromaticContact CE2-CD2 3.9Å; F51-W74 HydrophobicContact CE2-CD2 3.9Å; F51-W74 HydrophobicContact CE2-CE3 4.2Å; F51-W74 AromaticContact CE2-CG 3.88Å; F51-W74 HydrophobicContact CE2-CG 3.88Å; F51-W74 HydrophobicContact CZ-CB 4.22Å; F51-W74 HydrophobicContact CZ-CG 4.31Å; F51-L506 HydrophobicContact CZ-CD2 4.25Å; F51-I510 HydrophobicContact CD1-CD1 3.92Å; F51-I510 HydrophobicContact CD1-CG1 4.49Å; F51-I510 HydrophobicContact CE1-CD1 3.4Å; F51-I510 HydrophobicContact CE1-CG1 3.82Å; F51-I510 HydrophobicContact CE2-CD1 4.17Å; F51-I510 HydrophobicContact CZ-CD1 3.54Å; F51-I510 HydrophobicContact CZ-CG1 4.25Å
52	E	88.9	Confident	85	Confident	41 Å²	41	49.7 Å²	49.7	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-42.1	-178	-70.3	-66.9	177.7	0	0	112.6	R48 E49 Y50 L55 A56 Y71 R94	R48-E52 WeakPolarHBondContact O-CG 3.46Å; R48-E52 PolarHBondContact O-N 3.26Å; E49-E52 PolarHBondContact O-N 3.41Å; Y50-E52 VanDerWaalsContact C-N 3.34Å; Y50-E52 PolarHBondContact O-N 3.4Å; E52-L55 PolarHBondContact O-N 3.1Å; E52-A56 WeakPolarHBondContact O-CB 3.44Å; E52-A56 PolarHBondContact O-N 3.23Å; E52-Y71 PolarHBondContact OE1-OH 2.68Å; E52-R94 IonicContact OE1-CZ 3.33Å; E52-R94 IonicContact OE1-NH1 3.41Å; E52-R94 PolarHBondContact OE1-NH1 3Å; E52-R94 IonicContact OE2-CZ 3.85Å; E52-R94 VanDerWaalsContact OE2-CZ 3.24Å; E52-R94 IonicContact OE2-NH1 2.74Å; E52-R94 PolarHBondContact OE2-NH1 2.77Å; E52-R94 IonicContact OE2-NH2 3.98Å; E52-R94 PolarHBondContact OE2-NH2 3.34Å
53	L	85.3	Confident	85.5	Confident	45 Å²	45	48.3 Å²	48.3	24%	0.236	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-43.9	175.8	-74.1	170.5	0	0	0	111.8	E49 Y50 A56 S57 Y478	E49-L53 HydrophobicContact CG-CD1 4.11Å; E49-L53 HydrophobicContact CG-CG 4.46Å; E49-L53 WeakPolarHBondContact O-CB 3.49Å; E49-L53 VanDerWaalsContact O-CG 3.3Å; E49-L53 WeakPolarHBondContact O-CG 3.09Å; E49-L53 PolarHBondContact O-N 3.21Å; Y50-L53 PolarHBondContact O-N 3.14Å; L53-A56 PolarHBondContact O-N 2.74Å; L53-S57 PolarHBondContact O-N 3.27Å; L53-Y478 HydrophobicContact CD1-CE2 3.73Å; L53-Y478 WeakPolarHBondContact CD1-OH 3.45Å
54	K	87.3	Confident	86.1	Confident	54 Å²	54	48.6 Å²	48.6	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-48	176.1	-67.7	-56.4	-168	168	0	110.8	Y50 F51 A56 S57 L58 L67 I510 L514	Y50-K54 HydrophobicContact CD1-CG 4.43Å; Y50-K54 HydrophobicContact CE1-CG 4.16Å; Y50-K54 VanDerWaalsContact CE2-CE 3.46Å; Y50-K54 HydrophobicContact CE2-CG 4.41Å; Y50-K54 VanDerWaalsContact O-CG 3.31Å; Y50-K54 WeakPolarHBondContact O-CG 3.25Å; Y50-K54 PolarHBondContact O-N 3.4Å; Y50-K54 WeakPolarHBondContact OH-CE 3.49Å; F51-K54 PolarHBondContact O-N 3.34Å; K54-A56 VanDerWaalsContact C-N 3.3Å; K54-A56 PolarHBondContact O-N 3.17Å; K54-S57 PolarHBondContact O-N 2.9Å; K54-S57 VanDerWaalsContact O-N 3.09Å; K54-S57 PolarHBondContact O-OG 3.25Å; K54-L58 WeakPolarHBondContact O-CD1 3.27Å; K54-L58 PolarHBondContact O-N 3.09Å; K54-L67 HydrophobicContact CB-CD2 3.62Å; K54-I510 HydrophobicContact CG-CG2 4.24Å; K54-L514 HydrophobicContact CD-CD1 3.65Å; K54-L514 HydrophobicContact CG-CD1 4.16Å
55	L	89.7	Confident	86.5	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-38.4	177	-74.7	168.1	0	0	0	113.2	F51 E52 L58 K64 L67 Y68 Y71	F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 VanDerWaalsContact O-CG 3.29Å; F51-L55 WeakPolarHBondContact O-CG 3.2Å; F51-L55 PolarHBondContact O-N 3.49Å; E52-L55 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 3.18Å; L55-K64 HydrophobicContact CD2-CG 4.03Å; L55-K64 VanDerWaalsContact O-CE 3.27Å; L55-K64 WeakPolarHBondContact O-CE 3.46Å; L55-K64 PolarHBondContact O-NZ 3.01Å; L55-L67 HydrophobicContact CD2-CB 4.06Å; L55-L67 HydrophobicContact CD2-CD2 3.79Å; L55-L67 HydrophobicContact CD2-CG 3.86Å; L55-L67 HydrophobicContact CG-CD2 3.83Å; L55-L67 HydrophobicContact CG-CG 4.13Å; L55-Y68 HydrophobicContact CD1-CD1 3.8Å; L55-Y68 HydrophobicContact CD1-CE1 3.59Å; L55-Y68 HydrophobicContact CD2-CD1 3.79Å; L55-Y68 HydrophobicContact CD2-CD2 3.83Å; L55-Y68 HydrophobicContact CD2-CE1 3.78Å; L55-Y68 HydrophobicContact CD2-CE2 3.85Å; L55-Y68 HydrophobicContact CD2-CG 3.79Å; L55-Y68 HydrophobicContact CG-CD1 4.47Å; L55-Y68 HydrophobicContact CG-CE1 4.25Å; L55-Y71 HydrophobicContact CD1-CD1 3.78Å; L55-Y71 HydrophobicContact CD1-CE1 4.23Å
56	A	86.8	Confident	86.9	Confident	53 Å²	53	45 Å²	45	44%	0.438	25%	0.247	S	C	.	.	H	α-helix	trans	-69.1	-33.5	176.3	0	0	0	0	0	112.6	E52 L53 K54 L58 W474	E52-A56 WeakPolarHBondContact O-CB 3.44Å; E52-A56 PolarHBondContact O-N 3.23Å; L53-A56 PolarHBondContact O-N 2.74Å; K54-A56 VanDerWaalsContact C-N 3.3Å; K54-A56 PolarHBondContact O-N 3.17Å; A56-L58 VanDerWaalsContact C-N 3.31Å; A56-L58 PolarHBondContact O-N 3.23Å; A56-W474 HydrophobicContact CB-CH2 4.06Å
57	S	83.7	Confident	87.4	Confident	89 Å²	89	42.6 Å²	42.6	62%	0.622	23%	0.234	S	C	*	.	H	α-helix	trans	-73.6	-20	178.1	71.8	0	0	0	0	114.2	L53 K54	L53-S57 PolarHBondContact O-N 3.27Å; K54-S57 PolarHBondContact O-N 2.9Å; K54-S57 VanDerWaalsContact O-N 3.09Å; K54-S57 PolarHBondContact O-OG 3.25Å
58	L	85.5	Confident	87.8	Confident	24 Å²	24	42.6 Å²	42.6	13%	0.126	23%	0.234	C	C	.	.			trans	-89.9	133	-178.9	-73.2	128.9	0	0	0	111.9	K54 L55 A56 K63 K64 L67 L514	K54-L58 WeakPolarHBondContact O-CD1 3.27Å; K54-L58 PolarHBondContact O-N 3.09Å; L55-L58 PolarHBondContact O-N 3.18Å; A56-L58 VanDerWaalsContact C-N 3.31Å; A56-L58 PolarHBondContact O-N 3.23Å; L58-K63 HydrophobicContact CD2-CB 3.85Å; L58-K64 HydrophobicContact CB-CB 3.99Å; L58-K64 HydrophobicContact CB-CD 4.14Å; L58-K64 HydrophobicContact CB-CG 4.11Å; L58-K64 PolarHBondContact O-NZ 3.5Å; L58-L67 HydrophobicContact CD1-CD2 3.67Å; L58-L514 HydrophobicContact CD1-CD2 3.41Å; L58-L514 VanDerWaalsContact CD1-CD2 3.41Å; L58-L514 HydrophobicContact CD2-CD2 3.74Å; L58-L514 HydrophobicContact CG-CD2 3.98Å
59	S	85	Confident	88.1	Confident	91 Å²	91	42 Å²	42	64%	0.636	24%	0.238	S	C	*	.			trans	-69.7	167	162.7	58.5	0	0	0	0	111.2	S61	S59-S61 WeakPolarHBondContact O-CB 3.46Å; S59-S61 PolarHBondContact O-N 3.35Å; S59-S61 PolarHBondContact O-OG 3.36Å
60	T	82.8	Confident	88.5	Confident	77 Å²	77	40.6 Å²	40.6	47%	0.472	23%	0.23	S	C	.	.	S	Bend	trans	-57	99.6	174.9	-59.8	0	0	0	0	110.3	D98 L102	T60-D98 WeakPolarHBondContact CG2-O 3.36Å; T60-L102 HydrophobicContact CG2-CD2 4.1Å; T60-L102 HydrophobicContact CG2-CG 4.36Å
61	S	87.1	Confident	88.9	Confident	20 Å²	20	38.2 Å²	38.2	14%	0.14	22%	0.221	C	C	.	.	S	Bend	trans	-148.6	161.2	-171.5	58	0	0	0	0	110.3	S59 K63 K64 F65	S59-S61 WeakPolarHBondContact O-CB 3.46Å; S59-S61 PolarHBondContact O-N 3.35Å; S59-S61 PolarHBondContact O-OG 3.36Å; S61-K63 PolarHBondContact O-N 2.96Å; S61-K64 WeakPolarHBondContact O-CB 3.29Å; S61-K64 PolarHBondContact O-N 3.24Å; S61-K64 PolarHBondContact OG-N 2.93Å; S61-F65 PolarHBondContact O-N 3.14Å
62	N	87.2	Confident	89	Confident	81 Å²	81	38.3 Å²	38.3	43%	0.433	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-37.3	175.2	-167.3	-55.9	0	0	0	111.3	K64 F65 Q66	N62-K64 VanDerWaalsContact C-N 3.33Å; N62-K64 PolarHBondContact O-N 2.95Å; N62-F65 WeakPolarHBondContact O-CB 3.45Å; N62-F65 PolarHBondContact O-N 3.35Å; N62-F65 VanDerWaalsContact O-N 3.08Å; N62-Q66 WeakPolarHBondContact O-CG 3.18Å; N62-Q66 PolarHBondContact O-N 3.16Å; N62-Q66 PolarHBondContact OD1-NE2 3.4Å
63	K	88	Confident	89.1	Confident	32 Å²	32	41.7 Å²	41.7	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-56.3	-44.9	175	-66.9	174.1	175.3	164.3	0	112.4	L58 S61 F65 Q66 L67 D516 D520	L58-K63 HydrophobicContact CD2-CB 3.85Å; S61-K63 PolarHBondContact O-N 2.96Å; K63-F65 VanDerWaalsContact C-N 3.31Å; K63-F65 PolarHBondContact O-N 3.49Å; K63-Q66 PolarHBondContact O-N 3.29Å; K63-L67 WeakPolarHBondContact O-CB 3.48Å; K63-L67 PolarHBondContact O-N 3.11Å; K63-D516 WeakPolarHBondContact CE-O 3.49Å; K63-D516 PolarHBondContact NZ-O 2.93Å; K63-D520 WeakPolarHBondContact CE-OD2 3.42Å; K63-D520 IonicContact NZ-OD2 3.24Å; K63-D520 PolarHBondContact NZ-OD2 3.35Å
64	K	91.1	Very high	89.4	Confident	27 Å²	27	39.7 Å²	39.7	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-42.1	176	-169.7	173.2	-173.8	163.9	0	111.6	L55 L58 S61 N62 L67 Y68 D98	L55-K64 HydrophobicContact CD2-CG 4.03Å; L55-K64 VanDerWaalsContact O-CE 3.27Å; L55-K64 WeakPolarHBondContact O-CE 3.46Å; L55-K64 PolarHBondContact O-NZ 3.01Å; L58-K64 HydrophobicContact CB-CB 3.99Å; L58-K64 HydrophobicContact CB-CD 4.14Å; L58-K64 HydrophobicContact CB-CG 4.11Å; L58-K64 PolarHBondContact O-NZ 3.5Å; S61-K64 WeakPolarHBondContact O-CB 3.29Å; S61-K64 PolarHBondContact O-N 3.24Å; S61-K64 PolarHBondContact OG-N 2.93Å; N62-K64 VanDerWaalsContact C-N 3.33Å; N62-K64 PolarHBondContact O-N 2.95Å; K64-L67 PolarHBondContact O-N 3.21Å; K64-Y68 HydrophobicContact CD-CE2 4.25Å; K64-Y68 HydrophobicContact CG-CD2 4.07Å; K64-Y68 HydrophobicContact CG-CE2 3.8Å; K64-Y68 VanDerWaalsContact O-CD2 3.23Å; K64-Y68 WeakPolarHBondContact O-CD2 3.35Å; K64-Y68 PolarHBondContact O-N 2.83Å; K64-D98 WeakPolarHBondContact CE-OD2 3.41Å; K64-D98 IonicContact NZ-OD2 3.73Å; K64-D98 PolarHBondContact NZ-OD2 3.46Å
65	F	91.7	Very high	89.5	Confident	5 Å²	5	37.1 Å²	37.1	2%	0.022	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-42.9	177.3	176.7	-113.8	0	0	0	112.9	S61 N62 K63 L67 Y68 S69 S99 L102 I105 T110 Y111	S61-F65 PolarHBondContact O-N 3.14Å; N62-F65 WeakPolarHBondContact O-CB 3.45Å; N62-F65 PolarHBondContact O-N 3.35Å; N62-F65 VanDerWaalsContact O-N 3.08Å; K63-F65 VanDerWaalsContact C-N 3.31Å; K63-F65 PolarHBondContact O-N 3.49Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.44Å; F65-Y68 WeakPolarHBondContact O-CB 3.48Å; F65-Y68 PolarHBondContact O-N 3.36Å; F65-S69 PolarHBondContact O-N 2.84Å; F65-S99 WeakPolarHBondContact CD2-OG 3.33Å; F65-L102 HydrophobicContact CB-CD1 4.01Å; F65-I105 HydrophobicContact CD1-CD1 3.75Å; F65-I105 HydrophobicContact CE1-CD1 3.62Å; F65-I105 HydrophobicContact CG-CD1 4.25Å; F65-I105 HydrophobicContact CZ-CD1 4.02Å; F65-T110 WeakPolarHBondContact CE1-OG1 3.41Å; F65-T110 WeakPolarHBondContact CZ-OG1 3.27Å; F65-Y111 HydrophobicContact CE2-CD2 4.08Å; F65-Y111 HydrophobicContact CZ-CD2 4.47Å
66	Q	91.3	Very high	89.5	Confident	84 Å²	84	38.3 Å²	38.3	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-42.9	173.9	-68.5	-178.1	25.9	0	0	111.7	N62 K63 Y68 S69 R70 I513	N62-Q66 WeakPolarHBondContact O-CG 3.18Å; N62-Q66 PolarHBondContact O-N 3.16Å; N62-Q66 PolarHBondContact OD1-NE2 3.4Å; K63-Q66 PolarHBondContact O-N 3.29Å; Q66-Y68 VanDerWaalsContact C-N 3.34Å; Q66-Y68 PolarHBondContact O-N 3.04Å; Q66-S69 WeakPolarHBondContact O-CB 3.45Å; Q66-S69 PolarHBondContact O-N 3.21Å; Q66-R70 PolarHBondContact O-N 2.77Å; Q66-I513 HydrophobicContact CB-CG2 3.93Å
67	L	92.9	Very high	89.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-41.1	176.5	-174.6	60.1	0	0	0	111.8	F51 K54 L55 L58 K63 K64 F65 R70 Y71 I510	F51-L67 HydrophobicContact CD1-CD1 3.83Å; F51-L67 HydrophobicContact CD1-CG 4.46Å; F51-L67 HydrophobicContact CE1-CD1 3.94Å; K54-L67 HydrophobicContact CB-CD2 3.62Å; L55-L67 HydrophobicContact CD2-CB 4.06Å; L55-L67 HydrophobicContact CD2-CD2 3.79Å; L55-L67 HydrophobicContact CD2-CG 3.86Å; L55-L67 HydrophobicContact CG-CD2 3.83Å; L55-L67 HydrophobicContact CG-CG 4.13Å; L58-L67 HydrophobicContact CD1-CD2 3.67Å; K63-L67 WeakPolarHBondContact O-CB 3.48Å; K63-L67 PolarHBondContact O-N 3.11Å; K64-L67 PolarHBondContact O-N 3.21Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.44Å; L67-R70 PolarHBondContact O-N 3.38Å; L67-Y71 VanDerWaalsContact O-CB 3.26Å; L67-Y71 WeakPolarHBondContact O-CB 3.21Å; L67-Y71 PolarHBondContact O-N 3.4Å; L67-I510 HydrophobicContact CD1-CB 4.4Å; L67-I510 HydrophobicContact CD1-CG1 3.96Å; L67-I510 HydrophobicContact CD1-CG2 3.82Å
68	Y	93.8	Very high	89.6	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-46.8	172	-85	-59.2	0	0	0	112.2	L55 K64 F65 Q66 R70 Y71 I72 V91 R94 S95 D98	L55-Y68 HydrophobicContact CD1-CD1 3.8Å; L55-Y68 HydrophobicContact CD1-CE1 3.59Å; L55-Y68 HydrophobicContact CD2-CD1 3.79Å; L55-Y68 HydrophobicContact CD2-CD2 3.83Å; L55-Y68 HydrophobicContact CD2-CE1 3.78Å; L55-Y68 HydrophobicContact CD2-CE2 3.85Å; L55-Y68 HydrophobicContact CD2-CG 3.79Å; L55-Y68 HydrophobicContact CG-CD1 4.47Å; L55-Y68 HydrophobicContact CG-CE1 4.25Å; K64-Y68 HydrophobicContact CD-CE2 4.25Å; K64-Y68 HydrophobicContact CG-CD2 4.07Å; K64-Y68 HydrophobicContact CG-CE2 3.8Å; K64-Y68 VanDerWaalsContact O-CD2 3.23Å; K64-Y68 WeakPolarHBondContact O-CD2 3.35Å; K64-Y68 PolarHBondContact O-N 2.83Å; F65-Y68 WeakPolarHBondContact O-CB 3.48Å; F65-Y68 PolarHBondContact O-N 3.36Å; Q66-Y68 VanDerWaalsContact C-N 3.34Å; Q66-Y68 PolarHBondContact O-N 3.04Å; Y68-R70 VanDerWaalsContact C-N 3.3Å; Y68-R70 PolarHBondContact O-N 2.89Å; Y68-Y71 PolarHBondContact O-N 3.07Å; Y68-I72 WeakPolarHBondContact O-CB 3.38Å; Y68-I72 WeakPolarHBondContact O-CD1 3.43Å; Y68-I72 VanDerWaalsContact O-CG1 3.27Å; Y68-I72 WeakPolarHBondContact O-CG1 3.32Å; Y68-I72 PolarHBondContact O-N 3.16Å; Y68-V91 HydrophobicContact CD1-CG1 4.3Å; Y68-R94 HydrophobicContact CE1-CB 4.16Å; Y68-S95 WeakPolarHBondContact CB-OG 3.43Å; Y68-D98 HydrophobicContact CE2-CB 3.95Å; Y68-D98 PolarHBondContact OH-OD2 3.1Å
69	S	92.9	Very high	89.5	Confident	40 Å²	40	35.5 Å²	35.5	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-57.5	-44.8	177.7	-177.6	0	0	0	0	111.4	F65 Q66 I72 K73	F65-S69 PolarHBondContact O-N 2.84Å; Q66-S69 WeakPolarHBondContact O-CB 3.45Å; Q66-S69 PolarHBondContact O-N 3.21Å; S69-I72 PolarHBondContact O-N 3.31Å; S69-K73 PolarHBondContact O-N 3.45Å; S69-K73 VanDerWaalsContact O-N 3.1Å
70	R	92.7	Very high	89.3	Confident	37 Å²	37	31.2 Å²	31.2	14%	0.14	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-40.9	177.2	-174.3	54.8	175.2	107.5	-9.5	112.6	F51 Q66 L67 Y68 K73 W74 E509	F51-R70 HydrophobicContact CE1-CG 4.38Å; Q66-R70 PolarHBondContact O-N 2.77Å; L67-R70 PolarHBondContact O-N 3.38Å; Y68-R70 VanDerWaalsContact C-N 3.3Å; Y68-R70 PolarHBondContact O-N 2.89Å; R70-K73 PolarHBondContact O-N 2.61Å; R70-W74 WeakPolarHBondContact O-CB 3.2Å; R70-W74 PolarHBondContact O-N 3.49Å; R70-E509 WeakPolarHBondContact CD-OE1 3.22Å; R70-E509 IonicContact CZ-OE1 3.72Å; R70-E509 IonicContact CZ-OE2 3.24Å; R70-E509 VanDerWaalsContact CZ-OE2 3.24Å; R70-E509 IonicContact NE-OE1 3.49Å; R70-E509 PolarHBondContact NE-OE1 3.27Å; R70-E509 IonicContact NE-OE2 2.77Å; R70-E509 PolarHBondContact NE-OE2 3.36Å; R70-E509 IonicContact NH2-OE2 2.82Å; R70-E509 PolarHBondContact NH2-OE2 2.93Å
71	Y	93.6	Very high	89	Confident	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-45.8	178.4	-177.8	-144.8	0	0	0	111.9	R48 F51 E52 L55 L67 Y68 K73 W74 I75 V91	R48-Y71 HydrophobicContact CG-CE2 4.2Å; R48-Y71 WeakPolarHBondContact CG-OH 3.32Å; F51-Y71 HydrophobicContact CB-CD1 4.38Å; F51-Y71 HydrophobicContact CB-CD2 3.62Å; F51-Y71 HydrophobicContact CB-CE1 4.49Å; F51-Y71 HydrophobicContact CB-CE2 3.74Å; F51-Y71 HydrophobicContact CB-CG 3.98Å; F51-Y71 AromaticContact CD1-CD2 3.83Å; F51-Y71 HydrophobicContact CD1-CD2 3.83Å; F51-Y71 AromaticContact CD1-CG 3.94Å; F51-Y71 HydrophobicContact CD1-CG 3.94Å; F51-Y71 AromaticContact CD2-CD2 3.46Å; F51-Y71 HydrophobicContact CD2-CD2 3.46Å; F51-Y71 VanDerWaalsContact CD2-CD2 3.46Å; F51-Y71 AromaticContact CD2-CE2 3.84Å; F51-Y71 HydrophobicContact CD2-CE2 3.84Å; F51-Y71 HydrophobicContact CD2-CG 4.38Å; F51-Y71 HydrophobicContact CE1-CD2 4.32Å; F51-Y71 HydrophobicContact CE2-CD2 4.01Å; F51-Y71 AromaticContact CG-CD2 3.37Å; F51-Y71 HydrophobicContact CG-CD2 3.37Å; F51-Y71 AromaticContact CG-CE2 3.9Å; F51-Y71 HydrophobicContact CG-CE2 3.9Å; F51-Y71 AromaticContact CG-CG 3.87Å; F51-Y71 HydrophobicContact CG-CG 3.87Å; F51-Y71 HydrophobicContact CZ-CD2 4.4Å; E52-Y71 PolarHBondContact OE1-OH 2.68Å; L55-Y71 HydrophobicContact CD1-CD1 3.78Å; L55-Y71 HydrophobicContact CD1-CE1 4.23Å; L67-Y71 VanDerWaalsContact O-CB 3.26Å; L67-Y71 WeakPolarHBondContact O-CB 3.21Å; L67-Y71 PolarHBondContact O-N 3.4Å; Y68-Y71 PolarHBondContact O-N 3.07Å; Y71-K73 VanDerWaalsContact C-N 3.35Å; Y71-K73 PolarHBondContact O-N 3.38Å; Y71-W74 AromaticContact CD2-CE3 3.99Å; Y71-W74 HydrophobicContact CD2-CE3 3.99Å; Y71-W74 AromaticContact CE2-CE3 3.89Å; Y71-W74 HydrophobicContact CE2-CE3 3.89Å; Y71-W74 AromaticContact CE2-CZ3 3.99Å; Y71-W74 HydrophobicContact CE2-CZ3 3.99Å; Y71-W74 WeakPolarHBondContact O-CB 3.26Å; Y71-W74 PolarHBondContact O-N 3.27Å; Y71-W74 VanDerWaalsContact O-N 3.16Å; Y71-I75 HydrophobicContact CD1-CD1 4.39Å; Y71-I75 HydrophobicContact CD2-CD1 4.14Å; Y71-I75 HydrophobicContact CD2-CG1 4.14Å; Y71-I75 HydrophobicContact CE1-CD1 4.06Å; Y71-I75 HydrophobicContact CE2-CD1 3.8Å; Y71-I75 HydrophobicContact CE2-CG1 3.89Å; Y71-I75 HydrophobicContact CG-CD1 4.41Å; Y71-I75 WeakPolarHBondContact O-CG1 3.27Å; Y71-I75 PolarHBondContact O-N 3.03Å; Y71-V91 HydrophobicContact CD1-CG1 3.47Å; Y71-V91 VanDerWaalsContact CD1-CG1 3.47Å; Y71-V91 HydrophobicContact CD1-CG2 4.33Å; Y71-V91 HydrophobicContact CE1-CB 4.3Å; Y71-V91 HydrophobicContact CE1-CG1 3.63Å; Y71-V91 HydrophobicContact CE1-CG2 3.6Å; Y71-V91 HydrophobicContact CG-CG1 4.45Å
72	I	92.2	Very high	88.1	Confident	2 Å²	2	31 Å²	31	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-56.9	-48.5	175.1	-71.7	159.8	0	0	0	110.5	Y68 S69 W74 I75 E76 L88 V91 L92	Y68-I72 WeakPolarHBondContact O-CB 3.38Å; Y68-I72 WeakPolarHBondContact O-CD1 3.43Å; Y68-I72 VanDerWaalsContact O-CG1 3.27Å; Y68-I72 WeakPolarHBondContact O-CG1 3.32Å; Y68-I72 PolarHBondContact O-N 3.16Å; S69-I72 PolarHBondContact O-N 3.31Å; I72-W74 VanDerWaalsContact C-N 3.32Å; I72-W74 PolarHBondContact O-N 2.95Å; I72-I75 PolarHBondContact O-N 2.81Å; I72-E76 WeakPolarHBondContact O-CG 3.35Å; I72-E76 PolarHBondContact O-N 2.85Å; I72-L88 HydrophobicContact CG2-CD1 4.21Å; I72-V91 HydrophobicContact CG1-CG1 3.87Å; I72-L92 HydrophobicContact CD1-CD2 3.76Å; I72-L92 HydrophobicContact CD1-CG 4.5Å; I72-L92 HydrophobicContact CG1-CD2 4.24Å; I72-L92 HydrophobicContact CG2-CD2 4.18Å
73	K	90.9	Very high	87.1	Confident	111 Å²	111	28.7 Å²	28.7	48%	0.483	15%	0.149	S	C	.	.	H	α-helix	trans	-60.4	-41.4	177.4	-174	179.2	-179.3	-177.2	0	111.9	S69 R70 Y71 E76 Q77	S69-K73 PolarHBondContact O-N 3.45Å; S69-K73 VanDerWaalsContact O-N 3.1Å; R70-K73 PolarHBondContact O-N 2.61Å; Y71-K73 VanDerWaalsContact C-N 3.35Å; Y71-K73 PolarHBondContact O-N 3.38Å; K73-E76 PolarHBondContact O-N 3.31Å; K73-Q77 WeakPolarHBondContact O-CB 3.49Å; K73-Q77 VanDerWaalsContact O-CG 3.31Å; K73-Q77 WeakPolarHBondContact O-CG 3.48Å; K73-Q77 PolarHBondContact O-N 3.22Å; K73-Q77 VanDerWaalsContact O-N 3.11Å
74	W	91.1	Very high	86.3	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-43	176.3	176.1	88.2	0	0	0	111.8	R44 L47 R48 F51 R70 Y71 I72 Q77 N78 Y79	R44-W74 HydrophobicContact CB-CZ2 4.44Å; R44-W74 WeakPolarHBondContact O-CH2 3.38Å; L47-W74 HydrophobicContact CB-CZ2 4.14Å; L47-W74 HydrophobicContact CD2-CZ2 3.87Å; L47-W74 HydrophobicContact CG-CZ2 4.15Å; R48-W74 HydrophobicContact CB-CH2 4.1Å; R48-W74 HydrophobicContact CB-CZ3 4.2Å; R48-W74 HydrophobicContact CG-CZ3 4.48Å; F51-W74 HydrophobicContact CD2-CE3 4.4Å; F51-W74 HydrophobicContact CE2-CB 4.21Å; F51-W74 AromaticContact CE2-CD2 3.9Å; F51-W74 HydrophobicContact CE2-CD2 3.9Å; F51-W74 HydrophobicContact CE2-CE3 4.2Å; F51-W74 AromaticContact CE2-CG 3.88Å; F51-W74 HydrophobicContact CE2-CG 3.88Å; F51-W74 HydrophobicContact CZ-CB 4.22Å; F51-W74 HydrophobicContact CZ-CG 4.31Å; R70-W74 WeakPolarHBondContact O-CB 3.2Å; R70-W74 PolarHBondContact O-N 3.49Å; Y71-W74 AromaticContact CD2-CE3 3.99Å; Y71-W74 HydrophobicContact CD2-CE3 3.99Å; Y71-W74 AromaticContact CE2-CE3 3.89Å; Y71-W74 HydrophobicContact CE2-CE3 3.89Å; Y71-W74 AromaticContact CE2-CZ3 3.99Å; Y71-W74 HydrophobicContact CE2-CZ3 3.99Å; Y71-W74 WeakPolarHBondContact O-CB 3.26Å; Y71-W74 PolarHBondContact O-N 3.27Å; Y71-W74 VanDerWaalsContact O-N 3.16Å; I72-W74 VanDerWaalsContact C-N 3.32Å; I72-W74 PolarHBondContact O-N 2.95Å; W74-Q77 PolarHBondContact O-N 3.41Å; W74-N78 HydrophobicContact CZ2-CB 4.42Å; W74-N78 PolarHBondContact NE1-ND2 3.41Å; W74-N78 WeakPolarHBondContact O-CB 3.18Å; W74-N78 PolarHBondContact O-N 2.7Å; W74-N78 PolarHBondContact O-ND2 3.37Å; W74-Y79 HydrophobicContact CH2-CE2 4.21Å; W74-Y79 HydrophobicContact CZ3-CE2 4.17Å
75	I	90.1	Very high	85.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-48.2	175.7	-65.1	169.9	0	0	0	110.5	Y71 I72 Q77 N78 Y79 L82 L88 V91	Y71-I75 HydrophobicContact CD1-CD1 4.39Å; Y71-I75 HydrophobicContact CD2-CD1 4.14Å; Y71-I75 HydrophobicContact CD2-CG1 4.14Å; Y71-I75 HydrophobicContact CE1-CD1 4.06Å; Y71-I75 HydrophobicContact CE2-CD1 3.8Å; Y71-I75 HydrophobicContact CE2-CG1 3.89Å; Y71-I75 HydrophobicContact CG-CD1 4.41Å; Y71-I75 WeakPolarHBondContact O-CG1 3.27Å; Y71-I75 PolarHBondContact O-N 3.03Å; I72-I75 PolarHBondContact O-N 2.81Å; I75-Q77 VanDerWaalsContact C-N 3.26Å; I75-Q77 PolarHBondContact O-N 3.31Å; I75-N78 PolarHBondContact O-N 2.92Å; I75-Y79 HydrophobicContact CG2-CD2 4.16Å; I75-Y79 WeakPolarHBondContact O-CD2 3.36Å; I75-Y79 PolarHBondContact O-N 3.44Å; I75-Y79 VanDerWaalsContact O-N 3.08Å; I75-L82 HydrophobicContact CG2-CD2 3.48Å; I75-L82 VanDerWaalsContact CG2-CD2 3.48Å; I75-L88 HydrophobicContact CB-CD1 4.28Å; I75-L88 HydrophobicContact CD1-CD1 4.35Å; I75-L88 HydrophobicContact CG2-CB 4.31Å; I75-L88 HydrophobicContact CG2-CD1 4.01Å; I75-V91 HydrophobicContact CD1-CB 4.26Å; I75-V91 HydrophobicContact CD1-CG1 4.23Å; I75-V91 HydrophobicContact CD1-CG2 3.94Å
76	E	89	Confident	84.9	Confident	27 Å²	27	36.1 Å²	36.1	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-37.9	-179.3	-72.7	177.2	152.2	0	0	112.6	L19 R23 I72 K73 L88 K117	L19-E76 HydrophobicContact CD1-CB 4.27Å; R23-E76 PolarHBondContact NH1-O 2.93Å; I72-E76 WeakPolarHBondContact O-CG 3.35Å; I72-E76 PolarHBondContact O-N 2.85Å; K73-E76 PolarHBondContact O-N 3.31Å; E76-L88 HydrophobicContact CG-CD2 4.13Å; E76-K117 WeakPolarHBondContact OE1-CE 3.34Å; E76-K117 IonicContact OE1-NZ 2.8Å; E76-K117 PolarHBondContact OE1-NZ 2.83Å; E76-K117 IonicContact OE2-NZ 3.65Å; E76-K117 PolarHBondContact OE2-NZ 3.5Å
77	Q	86.6	Confident	84.5	Confident	52 Å²	52	35.4 Å²	35.4	24%	0.243	19%	0.193	C	C	.	.	H	α-helix	trans	-76.3	-40.9	179.9	-72.7	176.5	-22.6	0	0	113.2	L27 K73 W74 I75	L27-Q77 HydrophobicContact CD2-CB 3.59Å; L27-Q77 HydrophobicContact CD2-CG 3.91Å; K73-Q77 WeakPolarHBondContact O-CB 3.49Å; K73-Q77 VanDerWaalsContact O-CG 3.31Å; K73-Q77 WeakPolarHBondContact O-CG 3.48Å; K73-Q77 PolarHBondContact O-N 3.22Å; K73-Q77 VanDerWaalsContact O-N 3.11Å; W74-Q77 PolarHBondContact O-N 3.41Å; I75-Q77 VanDerWaalsContact C-N 3.26Å; I75-Q77 PolarHBondContact O-N 3.31Å
78	N	85.5	Confident	84.2	Confident	12 Å²	12	35.7 Å²	35.7	6%	0.064	20%	0.195	C	C	.	.	H	α-helix	trans	-85.5	-12.5	-173.7	-77.4	-89.8	0	0	0	114.3	V31 R44 W74 I75	V31-N78 WeakPolarHBondContact CG1-O 3.34Å; R44-N78 PolarHBondContact NH1-O 3.4Å; W74-N78 HydrophobicContact CZ2-CB 4.42Å; W74-N78 PolarHBondContact NE1-ND2 3.41Å; W74-N78 WeakPolarHBondContact O-CB 3.18Å; W74-N78 PolarHBondContact O-N 2.7Å; W74-N78 PolarHBondContact O-ND2 3.37Å; I75-N78 PolarHBondContact O-N 2.92Å
79	Y	84.5	Confident	83.9	Confident	42 Å²	42	36.8 Å²	36.8	17%	0.165	20%	0.2	C	C	.	.			trans	-124.9	82.8	177.8	-61	-94.9	0	0	0	110	R48 W74 I75 S81 L82	R48-Y79 PolarHBondContact NH2-OH 3.45Å; R48-Y79 VanDerWaalsContact NH2-OH 3.15Å; W74-Y79 HydrophobicContact CH2-CE2 4.21Å; W74-Y79 HydrophobicContact CZ3-CE2 4.17Å; I75-Y79 HydrophobicContact CG2-CD2 4.16Å; I75-Y79 WeakPolarHBondContact O-CD2 3.36Å; I75-Y79 PolarHBondContact O-N 3.44Å; I75-Y79 VanDerWaalsContact O-N 3.08Å; Y79-S81 VanDerWaalsContact C-N 3.28Å; Y79-S81 PolarHBondContact O-N 3.02Å; Y79-L82 HydrophobicContact CD1-CD1 4.24Å; Y79-L82 HydrophobicContact CG-CD1 4.26Å; Y79-L82 HydrophobicContact CG-CD2 4.33Å; Y79-L82 WeakPolarHBondContact O-CB 3.41Å; Y79-L82 PolarHBondContact O-N 3.31Å
80	P	80.5	Confident	83.6	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.7	-177.3	22.3	-31.7	0	0	0	113.9	N15 I16 K17 R23 L28 V31 L32 L82	N15-P80 CarbonylContact O-C 3.54Å; I16-P80 HydrophobicContact CG1-CB 4.19Å; I16-P80 HydrophobicContact CG2-CB 4.47Å; K17-P80 PolarHBondContact N-O 3.04Å; R23-P80 PolarHBondContact NH2-O 3.44Å; R23-P80 VanDerWaalsContact NH2-O 3.13Å; L28-P80 HydrophobicContact CD1-CB 3.73Å; L28-P80 HydrophobicContact CD1-CG 4.25Å; V31-P80 HydrophobicContact CG1-CG 4.19Å; L32-P80 HydrophobicContact CD2-CG 3.93Å; P80-L82 VanDerWaalsContact C-N 3.25Å; P80-L82 PolarHBondContact O-N 3.19Å
81	S	76.2	Confident	83.5	Confident	61 Å²	61	35.9 Å²	35.9	43%	0.427	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.5	-179.9	-39.4	0	0	0	0	113.9	N15 Y79 G83	N15-S81 WeakPolarHBondContact O-CA 3.5Å; N15-S81 VanDerWaalsContact O-CB 3.25Å; N15-S81 WeakPolarHBondContact O-CB 3.17Å; N15-S81 PolarHBondContact O-N 2.73Å; N15-S81 VanDerWaalsContact O-N 3.14Å; N15-S81 PolarHBondContact O-OG 3.21Å; Y79-S81 VanDerWaalsContact C-N 3.28Å; Y79-S81 PolarHBondContact O-N 3.02Å; S81-G83 PolarHBondContact O-N 3.24Å
82	L	67.8	Low	83.4	Confident	33 Å²	33	35.9 Å²	35.9	17%	0.173	20%	0.195	C	C	.	.			trans	-70.7	93.4	-175.2	-140.4	70.9	0	0	0	109.5	K17 I75 Y79 P80 S85 L88	K17-L82 WeakPolarHBondContact CD-O 3.26Å; I75-L82 HydrophobicContact CG2-CD2 3.48Å; I75-L82 VanDerWaalsContact CG2-CD2 3.48Å; Y79-L82 HydrophobicContact CD1-CD1 4.24Å; Y79-L82 HydrophobicContact CG-CD1 4.26Å; Y79-L82 HydrophobicContact CG-CD2 4.33Å; Y79-L82 WeakPolarHBondContact O-CB 3.41Å; Y79-L82 PolarHBondContact O-N 3.31Å; P80-L82 VanDerWaalsContact C-N 3.25Å; P80-L82 PolarHBondContact O-N 3.19Å; L82-S85 WeakPolarHBondContact CD2-OG 3.44Å; L82-S85 VanDerWaalsContact CG-CB 3.45Å; L82-S85 WeakPolarHBondContact CG-OG 3.34Å; L82-L88 HydrophobicContact CD2-CB 4.03Å; L82-L88 HydrophobicContact CD2-CD2 4.49Å
83	G	67.6	Low	83.2	Confident	32 Å²	32	37.2 Å²	37.2	33%	0.33	20%	0.2	S	C	.	.	S	Bend	trans	-69.7	-112.1	177.1	0	0	0	0	0	112	K17 S81	K17-G83 PolarHBondContact NZ-O 3.1Å; S81-G83 PolarHBondContact O-N 3.24Å
84	K	69.7	Low	83.2	Confident	145 Å²	145	33.7 Å²	33.7	63%	0.63	18%	0.184	S	C	*	.	S	Bend	trans	-95.2	69.9	165.9	-60.2	-170.6	-174.3	-157.7	0	108.9	E120 Y121	K84-E120 WeakPolarHBondContact CE-O 3.33Å; K84-E120 PolarHBondContact NZ-O 3.49Å; K84-Y121 VanDerWaalsContact CA-CE1 3.49Å; K84-Y121 HydrophobicContact CB-CD1 4.04Å; K84-Y121 HydrophobicContact CB-CE1 3.94Å
85	S	76	Confident	83.2	Confident	19 Å²	19	33.6 Å²	33.6	13%	0.133	18%	0.183	C	C	.	.			trans	-75.5	134.7	177	58.4	0	0	0	0	111.3	L82 D87 L88 Q89 Y121	L82-S85 WeakPolarHBondContact CD2-OG 3.44Å; L82-S85 VanDerWaalsContact CG-CB 3.45Å; L82-S85 WeakPolarHBondContact CG-OG 3.34Å; S85-D87 PolarHBondContact O-N 3.13Å; S85-L88 PolarHBondContact O-N 3.01Å; S85-L88 VanDerWaalsContact OG-CB 3.23Å; S85-L88 WeakPolarHBondContact OG-CB 3.39Å; S85-L88 PolarHBondContact OG-N 3.44Å; S85-Q89 PolarHBondContact O-N 3.24Å; S85-Q89 VanDerWaalsContact O-N 3.15Å; S85-Y121 WeakPolarHBondContact O-CE1 3.24Å
86	A	77.9	Confident	83.2	Confident	56 Å²	56	33.8 Å²	33.8	46%	0.463	18%	0.184	S	C	.	.	H	α-helix	trans	-55.1	-38.5	169.7	0	0	0	0	0	111.8	L88 Q89 N90	A86-L88 PolarHBondContact O-N 3.44Å; A86-Q89 WeakPolarHBondContact O-CB 3.42Å; A86-Q89 PolarHBondContact O-N 3.34Å; A86-N90 WeakPolarHBondContact O-CB 3.46Å; A86-N90 PolarHBondContact O-N 3.27Å; A86-N90 PolarHBondContact O-ND2 3.06Å; A86-N90 PolarHBondContact O-OD1 3.14Å
87	D	82.2	Confident	83.1	Confident	68 Å²	68	36.7 Å²	36.7	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-54.7	-56.6	177.5	-71.7	14.8	0	0	0	113.2	R48 S85 Q89 N90 V91	R48-D87 IonicContact CZ-OD2 3.37Å; R48-D87 IonicContact NH1-OD2 3.62Å; R48-D87 PolarHBondContact NH1-OD2 2.92Å; R48-D87 IonicContact NH2-OD2 3.35Å; S85-D87 PolarHBondContact O-N 3.13Å; D87-Q89 VanDerWaalsContact C-N 3.29Å; D87-Q89 PolarHBondContact O-N 3.46Å; D87-N90 PolarHBondContact O-N 3.27Å; D87-V91 WeakPolarHBondContact O-CG2 3.35Å; D87-V91 PolarHBondContact O-N 2.91Å
88	L	87.4	Confident	83.1	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-36.8	179.7	-179.1	56.6	0	0	0	111.4	I72 I75 E76 L82 S85 A86 N90 V91 L92 Y121	I72-L88 HydrophobicContact CG2-CD1 4.21Å; I75-L88 HydrophobicContact CB-CD1 4.28Å; I75-L88 HydrophobicContact CD1-CD1 4.35Å; I75-L88 HydrophobicContact CG2-CB 4.31Å; I75-L88 HydrophobicContact CG2-CD1 4.01Å; E76-L88 HydrophobicContact CG-CD2 4.13Å; L82-L88 HydrophobicContact CD2-CB 4.03Å; L82-L88 HydrophobicContact CD2-CD2 4.49Å; S85-L88 PolarHBondContact O-N 3.01Å; S85-L88 VanDerWaalsContact OG-CB 3.23Å; S85-L88 WeakPolarHBondContact OG-CB 3.39Å; S85-L88 PolarHBondContact OG-N 3.44Å; A86-L88 PolarHBondContact O-N 3.44Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.42Å; L88-V91 PolarHBondContact O-N 3.28Å; L88-L92 HydrophobicContact CD1-CD1 4.36Å; L88-L92 HydrophobicContact CD1-CG 4.28Å; L88-L92 HydrophobicContact CG-CD1 4.04Å; L88-L92 HydrophobicContact CG-CG 4.45Å; L88-L92 WeakPolarHBondContact O-CB 3.5Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.43Å; L88-Y121 WeakPolarHBondContact CD2-OH 3.24Å
89	Q	88.1	Confident	83.3	Confident	23 Å²	23	34.8 Å²	34.8	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-44	174.7	-171.1	179.8	6.7	0	0	111.7	S85 A86 D87 L92 Y93 L118 Y121 I309 S311	S85-Q89 PolarHBondContact O-N 3.24Å; S85-Q89 VanDerWaalsContact O-N 3.15Å; A86-Q89 WeakPolarHBondContact O-CB 3.42Å; A86-Q89 PolarHBondContact O-N 3.34Å; D87-Q89 VanDerWaalsContact C-N 3.29Å; D87-Q89 PolarHBondContact O-N 3.46Å; Q89-L92 PolarHBondContact O-N 3.21Å; Q89-Y93 WeakPolarHBondContact O-CB 3.39Å; Q89-Y93 PolarHBondContact O-N 3.09Å; Q89-L118 HydrophobicContact CG-CD1 4.05Å; Q89-Y121 HydrophobicContact CB-CD1 3.69Å; Q89-Y121 HydrophobicContact CB-CE1 3.76Å; Q89-Y121 HydrophobicContact CB-CG 4.16Å; Q89-Y121 HydrophobicContact CG-CD1 3.84Å; Q89-Y121 HydrophobicContact CG-CE1 4.4Å; Q89-Y121 HydrophobicContact CG-CG 3.9Å; Q89-I309 HydrophobicContact CG-CG2 4.43Å; Q89-I309 VanDerWaalsContact NE2-CG2 3.3Å; Q89-S311 PolarHBondContact NE2-OG 2.9Å
90	N	86.9	Confident	83.4	Confident	53 Å²	53	34.1 Å²	34.1	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-65.5	-44	179.8	-71.5	-9.8	0	0	0	111.3	A86 D87 L88 Y93 R94	A86-N90 WeakPolarHBondContact O-CB 3.46Å; A86-N90 PolarHBondContact O-N 3.27Å; A86-N90 PolarHBondContact O-ND2 3.06Å; A86-N90 PolarHBondContact O-OD1 3.14Å; D87-N90 PolarHBondContact O-N 3.27Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.42Å; N90-Y93 PolarHBondContact O-N 2.88Å; N90-R94 WeakPolarHBondContact O-CB 3.45Å; N90-R94 VanDerWaalsContact O-CG 3.29Å; N90-R94 WeakPolarHBondContact O-CG 3.3Å; N90-R94 PolarHBondContact O-N 2.98Å
91	V	90.5	Very high	83.5	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-42.3	176.4	177.5	0	0	0	0	111.4	Y68 Y71 I72 I75 D87 L88 R94 S95	Y68-V91 HydrophobicContact CD1-CG1 4.3Å; Y71-V91 HydrophobicContact CD1-CG1 3.47Å; Y71-V91 VanDerWaalsContact CD1-CG1 3.47Å; Y71-V91 HydrophobicContact CD1-CG2 4.33Å; Y71-V91 HydrophobicContact CE1-CB 4.3Å; Y71-V91 HydrophobicContact CE1-CG1 3.63Å; Y71-V91 HydrophobicContact CE1-CG2 3.6Å; Y71-V91 HydrophobicContact CG-CG1 4.45Å; I72-V91 HydrophobicContact CG1-CG1 3.87Å; I75-V91 HydrophobicContact CD1-CB 4.26Å; I75-V91 HydrophobicContact CD1-CG1 4.23Å; I75-V91 HydrophobicContact CD1-CG2 3.94Å; D87-V91 WeakPolarHBondContact O-CG2 3.35Å; D87-V91 PolarHBondContact O-N 2.91Å; L88-V91 PolarHBondContact O-N 3.28Å; V91-R94 PolarHBondContact O-N 2.87Å; V91-S95 WeakPolarHBondContact O-CB 3.42Å; V91-S95 PolarHBondContact O-N 3.4Å
92	L	90.9	Very high	84	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-47.4	174.4	-77.6	166.7	0	0	0	111.4	I72 L88 Q89 S95 I96 N114 K117 L118 Y121	I72-L92 HydrophobicContact CD1-CD2 3.76Å; I72-L92 HydrophobicContact CD1-CG 4.5Å; I72-L92 HydrophobicContact CG1-CD2 4.24Å; I72-L92 HydrophobicContact CG2-CD2 4.18Å; L88-L92 HydrophobicContact CD1-CD1 4.36Å; L88-L92 HydrophobicContact CD1-CG 4.28Å; L88-L92 HydrophobicContact CG-CD1 4.04Å; L88-L92 HydrophobicContact CG-CG 4.45Å; L88-L92 WeakPolarHBondContact O-CB 3.5Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.43Å; Q89-L92 PolarHBondContact O-N 3.21Å; L92-S95 WeakPolarHBondContact O-CB 3.31Å; L92-S95 PolarHBondContact O-N 3Å; L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 2.86Å; L92-N114 HydrophobicContact CD2-CB 4.15Å; L92-K117 HydrophobicContact CD1-CB 4.18Å; L92-K117 HydrophobicContact CD2-CB 4.24Å; L92-K117 HydrophobicContact CD2-CD 4.4Å; L92-L118 HydrophobicContact CB-CD1 4.35Å; L92-Y121 HydrophobicContact CD1-CE2 3.91Å
93	Y	88.6	Confident	84.9	Confident	30 Å²	30	45.3 Å²	45.3	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-46	179.4	178.6	-97	0	0	0	111.8	Q89 N90 S95 I96 R97 I309 Y458	Q89-Y93 WeakPolarHBondContact O-CB 3.39Å; Q89-Y93 PolarHBondContact O-N 3.09Å; N90-Y93 PolarHBondContact O-N 2.88Å; Y93-S95 VanDerWaalsContact C-N 3.35Å; Y93-S95 PolarHBondContact O-N 3.3Å; Y93-I96 PolarHBondContact O-N 3.24Å; Y93-R97 HydrophobicContact CE1-CB 4.26Å; Y93-R97 WeakPolarHBondContact O-CB 3.33Å; Y93-R97 PolarHBondContact O-N 3.15Å; Y93-I309 HydrophobicContact CD1-CG1 4.26Å; Y93-I309 HydrophobicContact CD2-CG1 4.05Å; Y93-I309 HydrophobicContact CE1-CG1 4.48Å; Y93-I309 HydrophobicContact CE2-CG1 4.26Å; Y93-I309 HydrophobicContact CG-CG1 4.08Å; Y93-Y458 HydrophobicContact CD1-CE1 4.37Å; Y93-Y458 HydrophobicContact CE1-CD1 4.24Å; Y93-Y458 AromaticContact CE1-CE1 3.44Å; Y93-Y458 HydrophobicContact CE1-CE1 3.44Å; Y93-Y458 VanDerWaalsContact CE1-CE1 3.44Å; Y93-Y458 HydrophobicContact CE2-CE1 4.28Å; Y93-Y458 WeakPolarHBondContact CE2-OH 3.44Å; Y93-Y458 AromaticContact CZ-CE1 3.42Å; Y93-Y458 VanDerWaalsContact CZ-CE1 3.42Å; Y93-Y458 AromaticContact CZ-CZ 3.46Å; Y93-Y458 VanDerWaalsContact CZ-CZ 3.46Å; Y93-Y458 WeakPolarHBondContact OH-CE1 3.42Å; Y93-Y458 PolarHBondContact OH-OH 2.94Å
94	R	89.5	Confident	85.7	Confident	37 Å²	37	47.3 Å²	47.3	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-43.6	175.4	-75.1	171.7	57.2	-158.2	-0.5	112	E52 Y68 N90 V91 I96 R97 D98	E52-R94 IonicContact OE1-CZ 3.33Å; E52-R94 IonicContact OE1-NH1 3.41Å; E52-R94 PolarHBondContact OE1-NH1 3Å; E52-R94 IonicContact OE2-CZ 3.85Å; E52-R94 VanDerWaalsContact OE2-CZ 3.24Å; E52-R94 IonicContact OE2-NH1 2.74Å; E52-R94 PolarHBondContact OE2-NH1 2.77Å; E52-R94 IonicContact OE2-NH2 3.98Å; E52-R94 PolarHBondContact OE2-NH2 3.34Å; Y68-R94 HydrophobicContact CE1-CB 4.16Å; N90-R94 WeakPolarHBondContact O-CB 3.45Å; N90-R94 VanDerWaalsContact O-CG 3.29Å; N90-R94 WeakPolarHBondContact O-CG 3.3Å; N90-R94 PolarHBondContact O-N 2.98Å; V91-R94 PolarHBondContact O-N 2.87Å; R94-I96 VanDerWaalsContact C-N 3.32Å; R94-I96 PolarHBondContact O-N 2.8Å; R94-R97 PolarHBondContact O-N 3.26Å; R94-D98 VanDerWaalsContact O-CB 3.27Å; R94-D98 WeakPolarHBondContact O-CB 3.34Å; R94-D98 PolarHBondContact O-N 2.84Å
95	S	91	Very high	86.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.4	-47.9	175.4	175.6	0	0	0	0	111.4	Y68 V91 L92 Y93 S99 N114	Y68-S95 WeakPolarHBondContact CB-OG 3.43Å; V91-S95 WeakPolarHBondContact O-CB 3.42Å; V91-S95 PolarHBondContact O-N 3.4Å; L92-S95 WeakPolarHBondContact O-CB 3.31Å; L92-S95 PolarHBondContact O-N 3Å; Y93-S95 VanDerWaalsContact C-N 3.35Å; Y93-S95 PolarHBondContact O-N 3.3Å; S95-S99 WeakPolarHBondContact O-CB 3.21Å; S95-S99 PolarHBondContact O-N 3.13Å; S95-S99 VanDerWaalsContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 3.12Å; S95-N114 PolarHBondContact OG-ND2 3.41Å
96	I	90.5	Very high	87.2	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-47.7	179.8	-73.4	164.6	0	0	0	111.4	L92 Y93 R94 S99 S100 Y111 N114 W115 L118	L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 2.86Å; Y93-I96 PolarHBondContact O-N 3.24Å; R94-I96 VanDerWaalsContact C-N 3.32Å; R94-I96 PolarHBondContact O-N 2.8Å; I96-S99 PolarHBondContact O-N 2.75Å; I96-S100 PolarHBondContact O-N 3.12Å; I96-Y111 HydrophobicContact CB-CE2 4.49Å; I96-Y111 HydrophobicContact CG1-CE2 4.46Å; I96-Y111 HydrophobicContact CG2-CE2 4.36Å; I96-N114 HydrophobicContact CD1-CB 4.31Å; I96-N114 HydrophobicContact CG1-CB 4.19Å; I96-W115 HydrophobicContact CB-CZ2 4.43Å; I96-W115 HydrophobicContact CD1-CD2 3.8Å; I96-W115 HydrophobicContact CD1-CE3 3.96Å; I96-W115 HydrophobicContact CD1-CG 4.15Å; I96-W115 HydrophobicContact CD1-CZ3 4.36Å; I96-W115 HydrophobicContact CG1-CD2 4.4Å; I96-W115 HydrophobicContact CG2-CD2 4.22Å; I96-W115 HydrophobicContact CG2-CH2 3.58Å; I96-W115 HydrophobicContact CG2-CZ2 3.08Å; I96-W115 HydrophobicContact CG2-CZ3 4.33Å; I96-L118 HydrophobicContact CD1-CB 4.44Å; I96-L118 HydrophobicContact CD1-CD2 3.91Å
97	R	87.1	Confident	87.8	Confident	88 Å²	88	44 Å²	44	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-50.1	-178.9	-178	-167.2	68.2	-171.3	1	111.5	Y93 R94 S99 S100	Y93-R97 HydrophobicContact CE1-CB 4.26Å; Y93-R97 WeakPolarHBondContact O-CB 3.33Å; Y93-R97 PolarHBondContact O-N 3.15Å; R94-R97 PolarHBondContact O-N 3.26Å; R97-S99 PolarHBondContact O-N 3.36Å; R97-S100 PolarHBondContact O-N 3.49Å; R97-S100 PolarHBondContact O-OG 3.26Å; R97-S100 VanDerWaalsContact O-OG 3.07Å
98	D	87.3	Confident	88.3	Confident	23 Å²	23	43.6 Å²	43.6	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-70.8	-20.4	-176.8	-65.4	6.1	0	0	0	111.6	T60 K64 Y68 R94	T60-D98 WeakPolarHBondContact CG2-O 3.36Å; K64-D98 WeakPolarHBondContact CE-OD2 3.41Å; K64-D98 IonicContact NZ-OD2 3.73Å; K64-D98 PolarHBondContact NZ-OD2 3.46Å; Y68-D98 HydrophobicContact CE2-CB 3.95Å; Y68-D98 PolarHBondContact OH-OD2 3.1Å; R94-D98 VanDerWaalsContact O-CB 3.27Å; R94-D98 WeakPolarHBondContact O-CB 3.34Å; R94-D98 PolarHBondContact O-N 2.84Å
99	S	88.4	Confident	88.5	Confident	2 Å²	2	48 Å²	48	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-98.4	-5.4	-179.4	-50.7	0	0	0	0	113.6	F65 S95 I96 R97 D101 L102 I105	F65-S99 WeakPolarHBondContact CD2-OG 3.33Å; S95-S99 WeakPolarHBondContact O-CB 3.21Å; S95-S99 PolarHBondContact O-N 3.13Å; S95-S99 VanDerWaalsContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 3.12Å; I96-S99 PolarHBondContact O-N 2.75Å; R97-S99 PolarHBondContact O-N 3.36Å; S99-D101 PolarHBondContact O-N 2.96Å; S99-D101 VanDerWaalsContact O-N 3.16Å; S99-L102 WeakPolarHBondContact O-CB 3.48Å; S99-L102 PolarHBondContact O-N 2.91Å; S99-I105 WeakPolarHBondContact O-CG2 3.14Å
100	S	86.6	Confident	88.7	Confident	27 Å²	27	49.8 Å²	49.8	19%	0.189	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	-172.5	63.9	0	0	0	0	113.8	I96 R97	I96-S100 PolarHBondContact O-N 3.12Å; R97-S100 PolarHBondContact O-N 3.49Å; R97-S100 PolarHBondContact O-OG 3.26Å; R97-S100 VanDerWaalsContact O-OG 3.07Å
101	D	84.4	Confident	89	Confident	120 Å²	120	47.5 Å²	47.5	64%	0.642	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.6	-173.4	-58.3	-13.8	0	0	0	112.4	S99	S99-D101 PolarHBondContact O-N 2.96Å; S99-D101 VanDerWaalsContact O-N 3.16Å
102	L	86.9	Confident	89.2	Confident	32 Å²	32	47.3 Å²	47.3	17%	0.168	26%	0.258	C	S	.	.	S	Bend	trans	-70.4	131.3	177.9	-66.9	175	0	0	0	111.2	T60 F65 S99 G104 I105	T60-L102 HydrophobicContact CG2-CD2 4.1Å; T60-L102 HydrophobicContact CG2-CG 4.36Å; F65-L102 HydrophobicContact CB-CD1 4.01Å; S99-L102 WeakPolarHBondContact O-CB 3.48Å; S99-L102 PolarHBondContact O-N 2.91Å; L102-G104 PolarHBondContact O-N 2.99Å; L102-I105 HydrophobicContact CB-CB 3.96Å; L102-I105 HydrophobicContact CB-CG1 4.41Å; L102-I105 HydrophobicContact CB-CG2 4.23Å; L102-I105 HydrophobicContact CD1-CD1 4.47Å; L102-I105 WeakPolarHBondContact O-CG2 3.05Å; L102-I105 PolarHBondContact O-N 2.92Å
103	L	84.7	Confident	89.3	Confident	179 Å²	179	47.9 Å²	47.9	94%	0.937	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	130.3	178.1	-63.8	176.5	0	0	0	111	I105	L103-I105 VanDerWaalsContact C-N 3.26Å; L103-I105 PolarHBondContact O-N 2.9Å
104	G	85.7	Confident	89.5	Confident	73 Å²	73	46.8 Å²	46.8	75%	0.753	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-0.4	176.7	0	0	0	0	0	115.9	L102 K106	L102-G104 PolarHBondContact O-N 2.99Å; G104-K106 VanDerWaalsContact C-N 3.27Å; G104-K106 PolarHBondContact O-N 2.9Å
105	I	89	Confident	89.6	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.036	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-68.4	-23.7	-176	-158.5	64.5	0	0	0	113.8	F65 S99 L102 L103 N107 N108 Y111	F65-I105 HydrophobicContact CD1-CD1 3.75Å; F65-I105 HydrophobicContact CE1-CD1 3.62Å; F65-I105 HydrophobicContact CG-CD1 4.25Å; F65-I105 HydrophobicContact CZ-CD1 4.02Å; S99-I105 WeakPolarHBondContact O-CG2 3.14Å; L102-I105 HydrophobicContact CB-CB 3.96Å; L102-I105 HydrophobicContact CB-CG1 4.41Å; L102-I105 HydrophobicContact CB-CG2 4.23Å; L102-I105 HydrophobicContact CD1-CD1 4.47Å; L102-I105 WeakPolarHBondContact O-CG2 3.05Å; L102-I105 PolarHBondContact O-N 2.92Å; L103-I105 VanDerWaalsContact C-N 3.26Å; L103-I105 PolarHBondContact O-N 2.9Å; I105-N107 PolarHBondContact O-N 3.37Å; I105-N107 VanDerWaalsContact O-N 3.1Å; I105-N108 HydrophobicContact CD1-CB 3.97Å; I105-N108 VanDerWaalsContact O-CB 3.29Å; I105-N108 WeakPolarHBondContact O-CB 3.47Å; I105-N108 PolarHBondContact O-N 3.09Å; I105-Y111 HydrophobicContact CG1-CD1 4.27Å; I105-Y111 HydrophobicContact CG1-CD2 3.76Å; I105-Y111 HydrophobicContact CG1-CE2 4.36Å; I105-Y111 HydrophobicContact CG1-CG 3.72Å; I105-Y111 HydrophobicContact CG2-CD1 4.5Å; I105-Y111 HydrophobicContact CG2-CE1 4.38Å; I105-Y111 VanDerWaalsContact O-CD1 3.26Å; I105-Y111 WeakPolarHBondContact O-CD1 3.43Å
106	K	88.1	Confident	89.7	Confident	81 Å²	81	46 Å²	46	35%	0.352	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-56	-32.6	-173.5	-67.9	-169.8	174.8	-167.5	0	114.1	G104 Q135 I137 G138	G104-K106 VanDerWaalsContact C-N 3.27Å; G104-K106 PolarHBondContact O-N 2.9Å; K106-Q135 PolarHBondContact NZ-O 3.24Å; K106-Q135 VanDerWaalsContact NZ-O 3.07Å; K106-I137 HydrophobicContact CB-CG1 4.41Å; K106-I137 HydrophobicContact CG-CG1 4.29Å; K106-G138 PolarHBondContact O-N 3.29Å
107	N	89.4	Confident	89.7	Confident	63 Å²	63	48.9 Å²	48.9	34%	0.337	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-113.1	20.5	179.8	-67.9	-49	0	0	0	112.1	I105 G138 T139 M140 C141	I105-N107 PolarHBondContact O-N 3.37Å; I105-N107 VanDerWaalsContact O-N 3.1Å; N107-G138 PolarHBondContact OD1-N 3.45Å; N107-T139 PolarHBondContact OD1-N 2.93Å; N107-M140 HydrophobicContact CB-CB 4.12Å; N107-M140 HydrophobicContact CB-CG 4.49Å; N107-M140 PolarHBondContact OD1-N 3.26Å; N107-C141 PolarHBondContact O-SG 2.79Å; N107-C141 VanDerWaalsContact O-SG 3.37Å
108	N	92.8	Very high	89.8	Confident	59 Å²	59	44.7 Å²	44.7	32%	0.316	26%	0.255	S	S	.	.			trans	-79.3	128.7	172.2	-177.8	-68.6	0	0	0	109.7	I105 T110 Y111 V112	I105-N108 HydrophobicContact CD1-CB 3.97Å; I105-N108 VanDerWaalsContact O-CB 3.29Å; I105-N108 WeakPolarHBondContact O-CB 3.47Å; I105-N108 PolarHBondContact O-N 3.09Å; N108-T110 VanDerWaalsContact C-N 3.28Å; N108-T110 PolarHBondContact O-N 3.33Å; N108-T110 PolarHBondContact OD1-N 3.39Å; N108-T110 PolarHBondContact OD1-OG1 2.83Å; N108-Y111 PolarHBondContact O-N 3.22Å; N108-Y111 PolarHBondContact OD1-N 2.78Å; N108-V112 WeakPolarHBondContact O-CG2 3.47Å; N108-V112 PolarHBondContact O-N 2.76Å
109	D	92.7	Very high	89.9	Confident	101 Å²	101	44.5 Å²	44.5	54%	0.54	25%	0.254	S	S	.	.	H	α-helix	trans	-56.6	-39.1	-176	-64.5	-21.7	0	0	0	113.1	G113 C141	D109-G113 PolarHBondContact O-N 2.69Å; D109-C141 PolarHBondContact OD1-SG 2.9Å
110	T	92.3	Very high	89.8	Confident	60 Å²	60	48.2 Å²	48.2	37%	0.368	27%	0.272	S	S	.	.	H	α-helix	trans	-72.1	-34.3	179.1	59.9	0	0	0	0	112.5	F65 N108 G113 N114	F65-T110 WeakPolarHBondContact CE1-OG1 3.41Å; F65-T110 WeakPolarHBondContact CZ-OG1 3.27Å; N108-T110 VanDerWaalsContact C-N 3.28Å; N108-T110 PolarHBondContact O-N 3.33Å; N108-T110 PolarHBondContact OD1-N 3.39Å; N108-T110 PolarHBondContact OD1-OG1 2.83Å; T110-G113 PolarHBondContact O-N 3.05Å; T110-N114 VanDerWaalsContact O-CG 3.31Å; T110-N114 PolarHBondContact O-N 3.22Å; T110-N114 PolarHBondContact O-OD1 3.49Å
111	Y	93.4	Very high	89.8	Confident	5 Å²	5	47.6 Å²	47.6	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-70.1	-44.8	177.8	-179.7	-105.5	0	0	0	110.5	F65 I96 I105 N108 G113 N114 W115 I137	F65-Y111 HydrophobicContact CE2-CD2 4.08Å; F65-Y111 HydrophobicContact CZ-CD2 4.47Å; I96-Y111 HydrophobicContact CB-CE2 4.49Å; I96-Y111 HydrophobicContact CG1-CE2 4.46Å; I96-Y111 HydrophobicContact CG2-CE2 4.36Å; I105-Y111 HydrophobicContact CG1-CD1 4.27Å; I105-Y111 HydrophobicContact CG1-CD2 3.76Å; I105-Y111 HydrophobicContact CG1-CE2 4.36Å; I105-Y111 HydrophobicContact CG1-CG 3.72Å; I105-Y111 HydrophobicContact CG2-CD1 4.5Å; I105-Y111 HydrophobicContact CG2-CE1 4.38Å; I105-Y111 VanDerWaalsContact O-CD1 3.26Å; I105-Y111 WeakPolarHBondContact O-CD1 3.43Å; N108-Y111 PolarHBondContact O-N 3.22Å; N108-Y111 PolarHBondContact OD1-N 2.78Å; Y111-G113 VanDerWaalsContact C-N 3.32Å; Y111-N114 PolarHBondContact O-N 3.32Å; Y111-W115 AromaticContact CD1-CD1 3.92Å; Y111-W115 AromaticContact CE1-CD1 3.63Å; Y111-W115 AromaticContact CE1-NE1 3.25Å; Y111-W115 VanDerWaalsContact CE1-NE1 3.25Å; Y111-W115 AromaticContact CE2-NE1 3.92Å; Y111-W115 AromaticContact CZ-CD1 3.92Å; Y111-W115 AromaticContact CZ-NE1 3.19Å; Y111-W115 PolarHBondContact O-N 2.94Å; Y111-W115 VanDerWaalsContact O-N 3.15Å; Y111-W115 PolarHBondContact OH-NE1 3.39Å; Y111-I137 HydrophobicContact CD1-CG2 4.31Å; Y111-I137 HydrophobicContact CE1-CD1 4.32Å; Y111-I137 HydrophobicContact CE1-CG2 3.99Å
112	V	93.6	Very high	89.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-40.5	173.2	176.2	0	0	0	0	110.6	N108 N114 W115 I116 I137 C141 F144	N108-V112 WeakPolarHBondContact O-CG2 3.47Å; N108-V112 PolarHBondContact O-N 2.76Å; V112-N114 PolarHBondContact O-N 3.33Å; V112-W115 WeakPolarHBondContact O-CB 3.41Å; V112-W115 PolarHBondContact O-N 3.02Å; V112-I116 HydrophobicContact CG1-CD1 3.94Å; V112-I116 HydrophobicContact CG1-CG1 4.44Å; V112-I116 WeakPolarHBondContact O-CG1 3.46Å; V112-I116 PolarHBondContact O-N 2.91Å; V112-I137 HydrophobicContact CG2-CG2 4.41Å; V112-C141 HydrophobicContact CG1-CB 4.25Å; V112-C141 HydrophobicContact CG2-CB 4.49Å; V112-F144 HydrophobicContact CG1-CB 3.97Å; V112-F144 HydrophobicContact CG1-CD2 4.18Å
113	G	93.2	Very high	89.6	Confident	13 Å²	13	44.1 Å²	44.1	13%	0.134	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-41.8	173.8	0	0	0	0	0	113	D109 T110 Y111 W115 I116 K117	D109-G113 PolarHBondContact O-N 2.69Å; T110-G113 PolarHBondContact O-N 3.05Å; Y111-G113 VanDerWaalsContact C-N 3.32Å; G113-W115 PolarHBondContact O-N 2.86Å; G113-I116 PolarHBondContact O-N 3.05Å; G113-K117 WeakPolarHBondContact O-CG 3.38Å; G113-K117 PolarHBondContact O-N 3.49Å
114	N	92.4	Very high	89.7	Confident	7 Å²	7	39 Å²	39	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-40.6	175.3	-72.2	-10.2	0	0	0	111.8	L92 S95 I96 T110 Y111 V112 K117 L118	L92-N114 HydrophobicContact CD2-CB 4.15Å; S95-N114 PolarHBondContact OG-ND2 3.41Å; I96-N114 HydrophobicContact CD1-CB 4.31Å; I96-N114 HydrophobicContact CG1-CB 4.19Å; T110-N114 VanDerWaalsContact O-CG 3.31Å; T110-N114 PolarHBondContact O-N 3.22Å; T110-N114 PolarHBondContact O-OD1 3.49Å; Y111-N114 PolarHBondContact O-N 3.32Å; V112-N114 PolarHBondContact O-N 3.33Å; N114-K117 PolarHBondContact O-N 3.49Å; N114-L118 PolarHBondContact O-N 3.28Å
115	W	92.6	Very high	89.9	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-47.2	172.1	-83	111.3	0	0	0	112.4	I96 Y111 V112 G113 K117 L118 T119 L128 L132 P306	I96-W115 HydrophobicContact CB-CZ2 4.43Å; I96-W115 HydrophobicContact CD1-CD2 3.8Å; I96-W115 HydrophobicContact CD1-CE3 3.96Å; I96-W115 HydrophobicContact CD1-CG 4.15Å; I96-W115 HydrophobicContact CD1-CZ3 4.36Å; I96-W115 HydrophobicContact CG1-CD2 4.4Å; I96-W115 HydrophobicContact CG2-CD2 4.22Å; I96-W115 HydrophobicContact CG2-CH2 3.58Å; I96-W115 HydrophobicContact CG2-CZ2 3.08Å; I96-W115 HydrophobicContact CG2-CZ3 4.33Å; Y111-W115 AromaticContact CD1-CD1 3.92Å; Y111-W115 AromaticContact CE1-CD1 3.63Å; Y111-W115 AromaticContact CE1-NE1 3.25Å; Y111-W115 VanDerWaalsContact CE1-NE1 3.25Å; Y111-W115 AromaticContact CE2-NE1 3.92Å; Y111-W115 AromaticContact CZ-CD1 3.92Å; Y111-W115 AromaticContact CZ-NE1 3.19Å; Y111-W115 PolarHBondContact O-N 2.94Å; Y111-W115 VanDerWaalsContact O-N 3.15Å; Y111-W115 PolarHBondContact OH-NE1 3.39Å; V112-W115 WeakPolarHBondContact O-CB 3.41Å; V112-W115 PolarHBondContact O-N 3.02Å; G113-W115 PolarHBondContact O-N 2.86Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.82Å; W115-L118 HydrophobicContact CE3-CD2 3.97Å; W115-L118 HydrophobicContact CZ3-CD2 3.81Å; W115-L118 WeakPolarHBondContact O-CB 3.25Å; W115-L118 PolarHBondContact O-N 2.9Å; W115-L118 VanDerWaalsContact O-N 3.08Å; W115-T119 WeakPolarHBondContact O-CG2 3.37Å; W115-T119 PolarHBondContact O-N 3.5Å; W115-T119 VanDerWaalsContact O-N 3.15Å; W115-L128 HydrophobicContact CE3-CD1 4.15Å; W115-L128 HydrophobicContact CE3-CD2 4.35Å; W115-L128 HydrophobicContact CZ3-CD1 3.88Å; W115-L132 HydrophobicContact CB-CD1 3.84Å; W115-L132 HydrophobicContact CD2-CD1 4.04Å; W115-L132 HydrophobicContact CD2-CD2 3.52Å; W115-L132 HydrophobicContact CD2-CG 4.42Å; W115-L132 HydrophobicContact CE3-CD1 4.08Å; W115-L132 HydrophobicContact CE3-CD2 3.76Å; W115-L132 HydrophobicContact CE3-CG 4.44Å; W115-L132 HydrophobicContact CG-CD1 3.99Å; W115-L132 HydrophobicContact CG-CD2 3.98Å; W115-L132 HydrophobicContact CH2-CD2 4.17Å; W115-L132 HydrophobicContact CZ2-CD2 3.9Å; W115-L132 HydrophobicContact CZ3-CD2 4.1Å; W115-P306 HydrophobicContact CH2-CG 3.59Å; W115-P306 HydrophobicContact CZ2-CG 4.39Å; W115-P306 HydrophobicContact CZ3-CG 4.43Å
116	I	92.8	Very high	89.9	Confident	14 Å²	14	39.2 Å²	39.2	7%	0.072	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-42.8	177.2	-68.7	168.4	0	0	0	110.2	V112 G113 L118 T119 F129 E143 T147	V112-I116 HydrophobicContact CG1-CD1 3.94Å; V112-I116 HydrophobicContact CG1-CG1 4.44Å; V112-I116 WeakPolarHBondContact O-CG1 3.46Å; V112-I116 PolarHBondContact O-N 2.91Å; G113-I116 PolarHBondContact O-N 3.05Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.4Å; I116-T119 WeakPolarHBondContact O-CB 3.36Å; I116-T119 PolarHBondContact O-N 3.15Å; I116-T119 VanDerWaalsContact O-N 3.16Å; I116-T119 PolarHBondContact O-OG1 3.4Å; I116-F129 HydrophobicContact CG1-CE1 4.31Å; I116-F129 HydrophobicContact CG1-CZ 4.42Å; I116-E143 HydrophobicContact CD1-CB 4.43Å; I116-E143 HydrophobicContact CD1-CG 3.92Å; I116-T147 HydrophobicContact CD1-CG2 4.28Å; I116-T147 HydrophobicContact CG2-CG2 4.06Å
117	K	90.9	Very high	89.9	Confident	63 Å²	63	39.4 Å²	39.4	27%	0.274	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-39.8	174.5	-72.7	-179.6	-176.8	-168.1	0	112.2	E76 L92 G113 N114 W115 T119 E120	E76-K117 WeakPolarHBondContact OE1-CE 3.34Å; E76-K117 IonicContact OE1-NZ 2.8Å; E76-K117 PolarHBondContact OE1-NZ 2.83Å; E76-K117 IonicContact OE2-NZ 3.65Å; E76-K117 PolarHBondContact OE2-NZ 3.5Å; L92-K117 HydrophobicContact CD1-CB 4.18Å; L92-K117 HydrophobicContact CD2-CB 4.24Å; L92-K117 HydrophobicContact CD2-CD 4.4Å; G113-K117 WeakPolarHBondContact O-CG 3.38Å; G113-K117 PolarHBondContact O-N 3.49Å; N114-K117 PolarHBondContact O-N 3.49Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.82Å; K117-T119 PolarHBondContact O-N 3.16Å; K117-E120 WeakPolarHBondContact O-CB 3.48Å; K117-E120 PolarHBondContact O-N 3.08Å; K117-E120 VanDerWaalsContact O-N 3.15Å
118	L	89.7	Confident	89.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-27.7	177	-166.9	66.6	0	0	0	112.2	Q89 L92 I96 N114 W115 I116 E120 Y121 C122 P310	Q89-L118 HydrophobicContact CG-CD1 4.05Å; L92-L118 HydrophobicContact CB-CD1 4.35Å; I96-L118 HydrophobicContact CD1-CB 4.44Å; I96-L118 HydrophobicContact CD1-CD2 3.91Å; N114-L118 PolarHBondContact O-N 3.28Å; W115-L118 HydrophobicContact CE3-CD2 3.97Å; W115-L118 HydrophobicContact CZ3-CD2 3.81Å; W115-L118 WeakPolarHBondContact O-CB 3.25Å; W115-L118 PolarHBondContact O-N 2.9Å; W115-L118 VanDerWaalsContact O-N 3.08Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.4Å; L118-E120 PolarHBondContact O-N 3.25Å; L118-E120 VanDerWaalsContact O-N 3.17Å; L118-Y121 WeakPolarHBondContact O-CB 3.29Å; L118-Y121 PolarHBondContact O-N 3Å; L118-C122 PolarHBondContact O-N 3.17Å; L118-C122 PolarHBondContact O-SG 3.1Å; L118-P310 HydrophobicContact CD2-CG 3.95Å; L118-P310 HydrophobicContact CG-CG 4.49Å
119	T	89.2	Confident	89.9	Confident	19 Å²	19	33.8 Å²	33.8	12%	0.117	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58.8	-27.2	176	73.1	0	0	0	0	113.1	W115 I116 K117 Y121 C122 L128 F129	W115-T119 WeakPolarHBondContact O-CG2 3.37Å; W115-T119 PolarHBondContact O-N 3.5Å; W115-T119 VanDerWaalsContact O-N 3.15Å; I116-T119 WeakPolarHBondContact O-CB 3.36Å; I116-T119 PolarHBondContact O-N 3.15Å; I116-T119 VanDerWaalsContact O-N 3.16Å; I116-T119 PolarHBondContact O-OG1 3.4Å; K117-T119 PolarHBondContact O-N 3.16Å; T119-Y121 PolarHBondContact O-N 3.25Å; T119-C122 WeakPolarHBondContact O-CB 3.26Å; T119-C122 PolarHBondContact O-N 3.48Å; T119-C122 VanDerWaalsContact O-N 3.14Å; T119-L128 HydrophobicContact CG2-CD2 3.91Å; T119-F129 HydrophobicContact CG2-CD2 4.29Å; T119-F129 HydrophobicContact CG2-CE2 3.68Å; T119-F129 HydrophobicContact CG2-CZ 3.92Å
120	E	86.6	Confident	89.8	Confident	80 Å²	80	31.5 Å²	31.5	37%	0.374	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-65.8	-24.1	176.6	-61.4	-170.5	173.7	0	0	113	K17 K84 K117 L118	K17-E120 IonicContact NZ-OE2 3.61Å; K17-E120 PolarHBondContact NZ-OE2 3.01Å; K84-E120 WeakPolarHBondContact CE-O 3.33Å; K84-E120 PolarHBondContact NZ-O 3.49Å; K117-E120 WeakPolarHBondContact O-CB 3.48Å; K117-E120 PolarHBondContact O-N 3.08Å; K117-E120 VanDerWaalsContact O-N 3.15Å; L118-E120 PolarHBondContact O-N 3.25Å; L118-E120 VanDerWaalsContact O-N 3.17Å
121	Y	84.8	Confident	89.5	Confident	14 Å²	14	29.8 Å²	29.8	6%	0.055	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-92.7	-7.3	178.4	-60.1	-94.1	0	0	0	112.8	K84 S85 L88 Q89 L92 L118 T119	K84-Y121 VanDerWaalsContact CA-CE1 3.49Å; K84-Y121 HydrophobicContact CB-CD1 4.04Å; K84-Y121 HydrophobicContact CB-CE1 3.94Å; S85-Y121 WeakPolarHBondContact O-CE1 3.24Å; L88-Y121 WeakPolarHBondContact CD2-OH 3.24Å; Q89-Y121 HydrophobicContact CB-CD1 3.69Å; Q89-Y121 HydrophobicContact CB-CE1 3.76Å; Q89-Y121 HydrophobicContact CB-CG 4.16Å; Q89-Y121 HydrophobicContact CG-CD1 3.84Å; Q89-Y121 HydrophobicContact CG-CE1 4.4Å; Q89-Y121 HydrophobicContact CG-CG 3.9Å; L92-Y121 HydrophobicContact CD1-CE2 3.91Å; L118-Y121 WeakPolarHBondContact O-CB 3.29Å; L118-Y121 PolarHBondContact O-N 3Å; T119-Y121 PolarHBondContact O-N 3.25Å
122	C	84.5	Confident	89.4	Confident	8 Å²	8	29.7 Å²	29.7	5%	0.054	15%	0.149	C	C	.	.			trans	-87.1	141.3	178.3	-55.1	0	0	0	0	110.3	L118 T119 P125 L128 P310	L118-C122 PolarHBondContact O-N 3.17Å; L118-C122 PolarHBondContact O-SG 3.1Å; T119-C122 WeakPolarHBondContact O-CB 3.26Å; T119-C122 PolarHBondContact O-N 3.48Å; T119-C122 VanDerWaalsContact O-N 3.14Å; C122-P125 HydrophobicContact CB-CB 4.47Å; C122-L128 VanDerWaalsContact SG-CD2 3.5Å; C122-P310 HydrophobicContact CB-CB 4.36Å; C122-P310 WeakPolarHBondContact SG-CB 3.36Å
123	N	83.7	Confident	89.3	Confident	71 Å²	71	29.7 Å²	29.7	38%	0.38	15%	0.149	S	C	.	.	S	Bend	trans	-74.2	-34.7	170.6	-66.1	-22	0	0	0	111.5	P125 Q314 Q318	N123-P125 VanDerWaalsContact C-CD 3.47Å; N123-P125 WeakPolarHBondContact O-CD 3.26Å; N123-Q314 PolarHBondContact ND2-OE1 2.96Å; N123-Q318 PolarHBondContact ND2-NE2 3.01Å; N123-Q318 VanDerWaalsContact ND2-NE2 3.14Å
124	Q	85.5	Confident	89	Confident	73 Å²	73	33.1 Å²	33.1	34%	0.341	16%	0.158	S	C	.	.			trans	-121.5	75.2	178.7	-68.5	179.7	-64.9	0	0	111.3	I126 E127	Q124-I126 PolarHBondContact O-N 2.96Å; Q124-E127 HydrophobicContact CB-CG 4.27Å; Q124-E127 PolarHBondContact NE2-OE1 3.32Å; Q124-E127 PolarHBondContact O-N 3.36Å; Q124-E127 PolarHBondContact OE1-OE1 2.9Å; Q124-E127 PolarHBondContact OE1-OE2 3Å
125	P	90	Very high	88.7	Confident	24 Å²	24	33.2 Å²	33.2	16%	0.156	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-25.3	-177.3	23.1	-33.7	0	0	0	113.9	C122 N123 L128 F129 L151	C122-P125 HydrophobicContact CB-CB 4.47Å; N123-P125 VanDerWaalsContact C-CD 3.47Å; N123-P125 WeakPolarHBondContact O-CD 3.26Å; P125-L128 PolarHBondContact O-N 3.42Å; P125-F129 WeakPolarHBondContact O-CD2 3.37Å; P125-F129 PolarHBondContact O-N 3.17Å; P125-F129 VanDerWaalsContact O-N 3.1Å; P125-L151 HydrophobicContact CB-CD2 3.58Å; P125-L151 HydrophobicContact CG-CD1 3.82Å; P125-L151 HydrophobicContact CG-CD2 3.64Å; P125-L151 HydrophobicContact CG-CG 4.3Å
126	I	90.6	Very high	88.5	Confident	60 Å²	60	33.5 Å²	33.5	31%	0.308	16%	0.164	S	C	.	.	H	α-helix	trans	-63.4	-43	179.4	-61	168.5	0	0	0	111.2	Q124 L128 F129 E130 L151 L152	Q124-I126 PolarHBondContact O-N 2.96Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 2.91Å; I126-F129 PolarHBondContact O-N 3.3Å; I126-E130 PolarHBondContact O-N 3.38Å; I126-L151 HydrophobicContact CG1-CD2 3.65Å; I126-L151 HydrophobicContact CG1-CG 3.93Å; I126-L152 HydrophobicContact CD1-CD2 3.92Å; I126-L152 HydrophobicContact CG1-CD2 4.22Å; I126-L152 HydrophobicContact CG2-CD2 3.97Å
127	E	87.5	Confident	88.4	Confident	85 Å²	85	32.9 Å²	32.9	40%	0.397	16%	0.161	S	C	.	.	H	α-helix	trans	-65.6	-35.9	179.1	-65.3	179.9	-167.4	0	0	111.3	Q124 E130 L131 W313	Q124-E127 HydrophobicContact CB-CG 4.27Å; Q124-E127 PolarHBondContact NE2-OE1 3.32Å; Q124-E127 PolarHBondContact O-N 3.36Å; Q124-E127 PolarHBondContact OE1-OE1 2.9Å; Q124-E127 PolarHBondContact OE1-OE2 3Å; E127-E130 PolarHBondContact O-N 3.15Å; E127-L131 WeakPolarHBondContact O-CB 3.39Å; E127-L131 PolarHBondContact O-N 3.49Å; E127-W313 HydrophobicContact CB-CZ3 4.36Å
128	L	89.3	Confident	88.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-45.1	173.7	179.8	59.1	0	0	0	111.3	W115 T119 C122 P125 I126 E130 L131 L132 P310 W313	W115-L128 HydrophobicContact CE3-CD1 4.15Å; W115-L128 HydrophobicContact CE3-CD2 4.35Å; W115-L128 HydrophobicContact CZ3-CD1 3.88Å; T119-L128 HydrophobicContact CG2-CD2 3.91Å; C122-L128 VanDerWaalsContact SG-CD2 3.5Å; P125-L128 PolarHBondContact O-N 3.42Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 2.91Å; L128-E130 VanDerWaalsContact C-N 3.32Å; L128-E130 PolarHBondContact O-N 3.15Å; L128-L131 PolarHBondContact O-N 3.11Å; L128-L132 HydrophobicContact CD1-CD1 4.28Å; L128-L132 HydrophobicContact CD1-CD2 4.44Å; L128-L132 HydrophobicContact CD1-CG 4.1Å; L128-L132 HydrophobicContact CG-CD1 4.08Å; L128-L132 HydrophobicContact CG-CG 4.36Å; L128-L132 VanDerWaalsContact O-CG 3.24Å; L128-L132 WeakPolarHBondContact O-CG 3.33Å; L128-L132 PolarHBondContact O-N 3.36Å; L128-P310 HydrophobicContact CD1-CG 4.31Å; L128-P310 HydrophobicContact CD2-CB 4.46Å; L128-P310 HydrophobicContact CD2-CG 4.18Å; L128-W313 HydrophobicContact CB-CH2 4.25Å; L128-W313 HydrophobicContact CB-CZ3 4.24Å; L128-W313 HydrophobicContact CD1-CH2 3.9Å
129	F	92.2	Very high	88.6	Confident	3 Å²	3	30.9 Å²	30.9	1%	0.013	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-42.3	175.3	-82.9	-73.6	0	0	0	112.3	I116 T119 P125 I126 L132 F133 F144 W148 L151	I116-F129 HydrophobicContact CG1-CE1 4.31Å; I116-F129 HydrophobicContact CG1-CZ 4.42Å; T119-F129 HydrophobicContact CG2-CD2 4.29Å; T119-F129 HydrophobicContact CG2-CE2 3.68Å; T119-F129 HydrophobicContact CG2-CZ 3.92Å; P125-F129 WeakPolarHBondContact O-CD2 3.37Å; P125-F129 PolarHBondContact O-N 3.17Å; P125-F129 VanDerWaalsContact O-N 3.1Å; I126-F129 PolarHBondContact O-N 3.3Å; F129-L132 PolarHBondContact O-N 3.46Å; F129-F133 WeakPolarHBondContact O-CB 3.46Å; F129-F133 PolarHBondContact O-N 2.92Å; F129-F144 HydrophobicContact CD1-CD2 4.03Å; F129-F144 AromaticContact CD1-CE2 3.56Å; F129-F144 HydrophobicContact CD1-CE2 3.56Å; F129-F144 AromaticContact CD1-CZ 3.85Å; F129-F144 HydrophobicContact CD1-CZ 3.85Å; F129-F144 HydrophobicContact CE1-CD2 4.06Å; F129-F144 HydrophobicContact CE1-CE2 4.05Å; F129-W148 HydrophobicContact CB-CB 4.47Å; F129-W148 HydrophobicContact CB-CD2 3.84Å; F129-W148 HydrophobicContact CB-CG 3.75Å; F129-W148 HydrophobicContact CB-CZ2 4.43Å; F129-W148 HydrophobicContact CD1-CB 3.75Å; F129-W148 HydrophobicContact CD1-CD2 4.43Å; F129-W148 AromaticContact CD1-CG 3.94Å; F129-W148 HydrophobicContact CD1-CG 3.94Å; F129-W148 HydrophobicContact CD2-CB 4.46Å; F129-W148 HydrophobicContact CD2-CG 4.36Å; F129-W148 HydrophobicContact CE1-CB 4.04Å; F129-W148 HydrophobicContact CG-CB 4Å; F129-W148 AromaticContact CG-CD1 3.75Å; F129-W148 HydrophobicContact CG-CD2 4.32Å; F129-W148 AromaticContact CG-CG 3.78Å; F129-W148 HydrophobicContact CG-CG 3.78Å; F129-L151 HydrophobicContact CD2-CD2 3.77Å; F129-L151 HydrophobicContact CE2-CD2 3.78Å
130	E	90.4	Very high	88.8	Confident	53 Å²	53	33.8 Å²	33.8	25%	0.248	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-43.2	175.3	-72.7	174.5	-163.7	0	0	112.1	I126 E127 L128 F133 R134 W148 K160 P297	I126-E130 PolarHBondContact O-N 3.38Å; E127-E130 PolarHBondContact O-N 3.15Å; L128-E130 VanDerWaalsContact C-N 3.32Å; L128-E130 PolarHBondContact O-N 3.15Å; E130-F133 PolarHBondContact O-N 2.57Å; E130-R134 VanDerWaalsContact O-CG 3.24Å; E130-R134 WeakPolarHBondContact O-CG 3.43Å; E130-R134 PolarHBondContact O-N 3.26Å; E130-W148 HydrophobicContact CG-CH2 4.49Å; E130-W148 HydrophobicContact CG-CZ2 3.71Å; E130-K160 IonicContact OE1-NZ 3.24Å; E130-K160 PolarHBondContact OE1-NZ 3.45Å; E130-P297 HydrophobicContact CB-CG 4.21Å; E130-P297 HydrophobicContact CG-CG 4.28Å
131	L	87.5	Confident	89.1	Confident	25 Å²	25	30.1 Å²	30.1	13%	0.131	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-46.6	176.2	-177.1	70.7	0	0	0	111.6	E127 L128 F133 R134 Q135 I304 P306 W313	E127-L131 WeakPolarHBondContact O-CB 3.39Å; E127-L131 PolarHBondContact O-N 3.49Å; L128-L131 PolarHBondContact O-N 3.11Å; L131-F133 VanDerWaalsContact C-N 3.34Å; L131-F133 PolarHBondContact O-N 3.47Å; L131-R134 WeakPolarHBondContact O-CB 3.42Å; L131-R134 PolarHBondContact O-N 2.9Å; L131-Q135 WeakPolarHBondContact O-CG 3.3Å; L131-Q135 PolarHBondContact O-N 2.85Å; L131-I304 HydrophobicContact CD1-CB 4.22Å; L131-I304 HydrophobicContact CD1-CG2 4.3Å; L131-P306 HydrophobicContact CD2-CB 3.97Å; L131-W313 HydrophobicContact CD2-CH2 3.85Å; L131-W313 HydrophobicContact CD2-CZ2 4.01Å
132	L	90.5	Very high	89.6	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-42.8	178.6	-67.4	175.1	0	0	0	111.4	W115 L128 F129 R134 Q135 G136 I137 F144	W115-L132 HydrophobicContact CB-CD1 3.84Å; W115-L132 HydrophobicContact CD2-CD1 4.04Å; W115-L132 HydrophobicContact CD2-CD2 3.52Å; W115-L132 HydrophobicContact CD2-CG 4.42Å; W115-L132 HydrophobicContact CE3-CD1 4.08Å; W115-L132 HydrophobicContact CE3-CD2 3.76Å; W115-L132 HydrophobicContact CE3-CG 4.44Å; W115-L132 HydrophobicContact CG-CD1 3.99Å; W115-L132 HydrophobicContact CG-CD2 3.98Å; W115-L132 HydrophobicContact CH2-CD2 4.17Å; W115-L132 HydrophobicContact CZ2-CD2 3.9Å; W115-L132 HydrophobicContact CZ3-CD2 4.1Å; L128-L132 HydrophobicContact CD1-CD1 4.28Å; L128-L132 HydrophobicContact CD1-CD2 4.44Å; L128-L132 HydrophobicContact CD1-CG 4.1Å; L128-L132 HydrophobicContact CG-CD1 4.08Å; L128-L132 HydrophobicContact CG-CG 4.36Å; L128-L132 VanDerWaalsContact O-CG 3.24Å; L128-L132 WeakPolarHBondContact O-CG 3.33Å; L128-L132 PolarHBondContact O-N 3.36Å; F129-L132 PolarHBondContact O-N 3.46Å; L132-R134 PolarHBondContact O-N 3.41Å; L132-Q135 PolarHBondContact O-N 2.74Å; L132-G136 PolarHBondContact O-N 2.95Å; L132-I137 HydrophobicContact CB-CB 4.28Å; L132-I137 HydrophobicContact CD2-CB 4.26Å; L132-I137 HydrophobicContact CD2-CD1 3.81Å; L132-I137 HydrophobicContact CD2-CG2 4.24Å; L132-I137 PolarHBondContact O-N 3.11Å; L132-F144 HydrophobicContact CB-CE2 3.84Å; L132-F144 HydrophobicContact CB-CZ 4.09Å; L132-F144 HydrophobicContact CD1-CE2 4.15Å
133	F	91.5	Very high	90.1	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-45.1	175.3	-176.3	-93.9	0	0	0	111.5	F129 E130 L131 Q135 G136 T139 F144 Y145 W148 H167 L296 P297 I299	F129-F133 WeakPolarHBondContact O-CB 3.46Å; F129-F133 PolarHBondContact O-N 2.92Å; E130-F133 PolarHBondContact O-N 2.57Å; L131-F133 VanDerWaalsContact C-N 3.34Å; L131-F133 PolarHBondContact O-N 3.47Å; F133-Q135 VanDerWaalsContact C-N 3.27Å; F133-Q135 PolarHBondContact O-N 3.06Å; F133-G136 PolarHBondContact O-N 2.98Å; F133-T139 HydrophobicContact CD2-CG2 4.2Å; F133-T139 HydrophobicContact CE2-CG2 4.35Å; F133-F144 HydrophobicContact CB-CE1 4.29Å; F133-F144 HydrophobicContact CB-CZ 4.16Å; F133-F144 HydrophobicContact CD2-CE1 4.16Å; F133-Y145 HydrophobicContact CE2-CE1 4.25Å; F133-W148 HydrophobicContact CB-CH2 3.92Å; F133-W148 HydrophobicContact CB-CZ3 3.88Å; F133-W148 HydrophobicContact CD1-CH2 4.45Å; F133-W148 HydrophobicContact CD2-CH2 4.28Å; F133-W148 AromaticContact CD2-CZ3 3.68Å; F133-W148 HydrophobicContact CD2-CZ3 3.68Å; F133-W148 HydrophobicContact CE2-CZ3 4.37Å; F133-W148 AromaticContact CG-CH2 3.96Å; F133-W148 HydrophobicContact CG-CH2 3.96Å; F133-W148 AromaticContact CG-CZ3 3.81Å; F133-W148 HydrophobicContact CG-CZ3 3.81Å; F133-H167 AromaticContact CE2-CE1 3.51Å; F133-H167 AromaticContact CE2-ND1 3.59Å; F133-H167 AromaticContact CZ-CD2 3.83Å; F133-H167 AromaticContact CZ-CE1 3.51Å; F133-H167 AromaticContact CZ-ND1 3.81Å; F133-H167 AromaticContact CZ-NE2 3.52Å; F133-L296 HydrophobicContact CE1-CB 4.28Å; F133-L296 HydrophobicContact CE1-CD2 4.03Å; F133-L296 HydrophobicContact CE2-CD2 4.22Å; F133-L296 HydrophobicContact CZ-CD2 3.84Å; F133-P297 HydrophobicContact CD1-CG 3.93Å; F133-P297 VanDerWaalsContact CE1-O 3.32Å; F133-P297 WeakPolarHBondContact CE1-O 3.39Å; F133-I299 HydrophobicContact CD1-CG1 4.33Å; F133-I299 HydrophobicContact CE1-CD1 4.39Å; F133-I299 HydrophobicContact CE1-CG1 3.85Å; F133-I299 HydrophobicContact CZ-CD1 4.27Å; F133-I299 HydrophobicContact CZ-CG1 4.24Å
134	R	87.8	Confident	90.7	Very high	85 Å²	85	30.7 Å²	30.7	32%	0.321	15%	0.15	S	C	.	.	H	α-helix	trans	-58.4	-38.4	175.9	-72.6	177.6	70.1	169.6	0.1	112.4	E130 L131 L132 G136 P297 P298 T300	E130-R134 VanDerWaalsContact O-CG 3.24Å; E130-R134 WeakPolarHBondContact O-CG 3.43Å; E130-R134 PolarHBondContact O-N 3.26Å; L131-R134 WeakPolarHBondContact O-CB 3.42Å; L131-R134 PolarHBondContact O-N 2.9Å; L132-R134 PolarHBondContact O-N 3.41Å; R134-G136 PolarHBondContact O-N 3.26Å; R134-P297 HydrophobicContact CG-CB 3.7Å; R134-P297 HydrophobicContact CG-CG 4Å; R134-P298 WeakPolarHBondContact CG-O 3.42Å; R134-T300 PolarHBondContact O-N 3.49Å
135	Q	85.4	Confident	91.2	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.042	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.3	178.1	-69.2	174.1	3.1	0	0	114.3	K106 L131 L132 F133 I137 I304	K106-Q135 PolarHBondContact NZ-O 3.24Å; K106-Q135 VanDerWaalsContact NZ-O 3.07Å; L131-Q135 WeakPolarHBondContact O-CG 3.3Å; L131-Q135 PolarHBondContact O-N 2.85Å; L132-Q135 PolarHBondContact O-N 2.74Å; F133-Q135 VanDerWaalsContact C-N 3.27Å; F133-Q135 PolarHBondContact O-N 3.06Å; Q135-I137 HydrophobicContact CB-CD1 4.17Å; Q135-I137 HydrophobicContact CB-CG1 4.1Å; Q135-I304 PolarHBondContact NE2-O 3.39Å
136	G	88.8	Confident	91.5	Very high	13 Å²	13	26.3 Å²	26.3	13%	0.134	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	29.1	-175	0	0	0	0	0	113.7	L132 F133 R134	L132-G136 PolarHBondContact O-N 2.95Å; F133-G136 PolarHBondContact O-N 2.98Å; R134-G136 PolarHBondContact O-N 3.26Å
137	I	90.9	Very high	91.7	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	-91.7	128.3	175.9	-61.5	176.5	0	0	0	108.8	K106 Y111 V112 L132 Q135 T139	K106-I137 HydrophobicContact CB-CG1 4.41Å; K106-I137 HydrophobicContact CG-CG1 4.29Å; Y111-I137 HydrophobicContact CD1-CG2 4.31Å; Y111-I137 HydrophobicContact CE1-CD1 4.32Å; Y111-I137 HydrophobicContact CE1-CG2 3.99Å; V112-I137 HydrophobicContact CG2-CG2 4.41Å; L132-I137 HydrophobicContact CB-CB 4.28Å; L132-I137 HydrophobicContact CD2-CB 4.26Å; L132-I137 HydrophobicContact CD2-CD1 3.81Å; L132-I137 HydrophobicContact CD2-CG2 4.24Å; L132-I137 PolarHBondContact O-N 3.11Å; Q135-I137 HydrophobicContact CB-CD1 4.17Å; Q135-I137 HydrophobicContact CB-CG1 4.1Å; I137-T139 VanDerWaalsContact C-N 3.25Å; I137-T139 PolarHBondContact O-N 3.07Å
138	G	91.7	Very high	92	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	72.1	9.8	178	0	0	0	0	0	115.5	K106 N107 M140 C141 F144	K106-G138 PolarHBondContact O-N 3.29Å; N107-G138 PolarHBondContact OD1-N 3.45Å; G138-M140 PolarHBondContact O-N 2.85Å; G138-M140 VanDerWaalsContact O-N 3.13Å; G138-C141 PolarHBondContact O-N 3.03Å; G138-F144 WeakPolarHBondContact O-CB 3.24Å
139	T	91.6	Very high	92.3	Very high	20 Å²	20	20 Å²	20	12%	0.123	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.4	-178.3	56.7	0	0	0	0	113.3	N107 F133 I137 Y145	N107-T139 PolarHBondContact OD1-N 2.93Å; F133-T139 HydrophobicContact CD2-CG2 4.2Å; F133-T139 HydrophobicContact CE2-CG2 4.35Å; I137-T139 VanDerWaalsContact C-N 3.25Å; I137-T139 PolarHBondContact O-N 3.07Å; T139-Y145 WeakPolarHBondContact CA-OH 3.17Å; T139-Y145 VanDerWaalsContact O-CE2 3.24Å; T139-Y145 WeakPolarHBondContact O-CE2 3.18Å; T139-Y145 PolarHBondContact O-OH 3.07Å
140	M	93.2	Very high	92.3	Very high	81 Å²	81	22.1 Å²	22.1	40%	0.399	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	2.8	175.1	-58.1	-59.2	-66.1	0	0	113.9	N107 G138 A171 A173 K174	N107-M140 HydrophobicContact CB-CB 4.12Å; N107-M140 HydrophobicContact CB-CG 4.49Å; N107-M140 PolarHBondContact OD1-N 3.26Å; G138-M140 PolarHBondContact O-N 2.85Å; G138-M140 VanDerWaalsContact O-N 3.13Å; M140-A171 VanDerWaalsContact CE-O 3.3Å; M140-A171 WeakPolarHBondContact CE-O 3.44Å; M140-A173 CarbonylContact O-C 3.52Å; M140-A173 VanDerWaalsContact O-CA 3.28Å; M140-A173 WeakPolarHBondContact O-CA 3.23Å; M140-K174 PolarHBondContact O-N 3.12Å
141	C	94.6	Very high	92.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.02	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-104.3	123.2	-177.5	-63.7	0	0	0	0	110.2	N107 D109 V112 G138 E143 F144 Y145	N107-C141 PolarHBondContact O-SG 2.79Å; N107-C141 VanDerWaalsContact O-SG 3.37Å; D109-C141 PolarHBondContact OD1-SG 2.9Å; V112-C141 HydrophobicContact CG1-CB 4.25Å; V112-C141 HydrophobicContact CG2-CB 4.49Å; G138-C141 PolarHBondContact O-N 3.03Å; C141-E143 VanDerWaalsContact C-N 3.31Å; C141-E143 PolarHBondContact O-N 3.48Å; C141-F144 HydrophobicContact CB-CB 4.38Å; C141-F144 WeakPolarHBondContact O-CB 3.37Å; C141-F144 PolarHBondContact O-N 3Å; C141-Y145 VanDerWaalsContact O-CD2 3.3Å; C141-Y145 WeakPolarHBondContact O-CD2 3.37Å
142	S	95.3	Very high	92.7	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-35.3	-178.9	64.7	0	0	0	0	112.5	F144 Y145 I146 K174 P175	S142-F144 PolarHBondContact O-N 2.93Å; S142-Y145 PolarHBondContact O-N 3.24Å; S142-I146 VanDerWaalsContact O-CG1 3.24Å; S142-I146 WeakPolarHBondContact O-CG1 3.46Å; S142-I146 PolarHBondContact O-N 2.9Å; S142-K174 PolarHBondContact N-O 3.18Å; S142-K174 PolarHBondContact OG-O 3.22Å; S142-P175 VanDerWaalsContact OG-CD 3.25Å; S142-P175 WeakPolarHBondContact OG-CD 3.25Å; S142-P175 PolarHBondContact OG-O 2.93Å
143	E	94.9	Very high	92.7	Very high	99 Å²	99	22.5 Å²	22.5	46%	0.463	11%	0.11	S	C	.	.	H	α-helix	trans	-58.1	-34.7	178.7	-167.5	177	-177.7	0	0	112.5	I116 C141 T147	I116-E143 HydrophobicContact CD1-CB 4.43Å; I116-E143 HydrophobicContact CD1-CG 3.92Å; C141-E143 VanDerWaalsContact C-N 3.31Å; C141-E143 PolarHBondContact O-N 3.48Å; E143-T147 HydrophobicContact CG-CG2 4.09Å; E143-T147 WeakPolarHBondContact O-CB 3.21Å; E143-T147 VanDerWaalsContact O-CG2 3.25Å; E143-T147 WeakPolarHBondContact O-CG2 3.32Å; E143-T147 PolarHBondContact O-N 3.43Å; E143-T147 PolarHBondContact O-OG1 3.03Å
144	F	95.9	Very high	92.5	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-53.7	175.9	-179.7	-94.6	0	0	0	111.6	V112 F129 L132 F133 G138 C141 S142 I146 T147 W148	V112-F144 HydrophobicContact CG1-CB 3.97Å; V112-F144 HydrophobicContact CG1-CD2 4.18Å; F129-F144 HydrophobicContact CD1-CD2 4.03Å; F129-F144 AromaticContact CD1-CE2 3.56Å; F129-F144 HydrophobicContact CD1-CE2 3.56Å; F129-F144 AromaticContact CD1-CZ 3.85Å; F129-F144 HydrophobicContact CD1-CZ 3.85Å; F129-F144 HydrophobicContact CE1-CD2 4.06Å; F129-F144 HydrophobicContact CE1-CE2 4.05Å; L132-F144 HydrophobicContact CB-CE2 3.84Å; L132-F144 HydrophobicContact CB-CZ 4.09Å; L132-F144 HydrophobicContact CD1-CE2 4.15Å; F133-F144 HydrophobicContact CB-CE1 4.29Å; F133-F144 HydrophobicContact CB-CZ 4.16Å; F133-F144 HydrophobicContact CD2-CE1 4.16Å; G138-F144 WeakPolarHBondContact O-CB 3.24Å; C141-F144 HydrophobicContact CB-CB 4.38Å; C141-F144 WeakPolarHBondContact O-CB 3.37Å; C141-F144 PolarHBondContact O-N 3Å; S142-F144 PolarHBondContact O-N 2.93Å; F144-I146 PolarHBondContact O-N 3.27Å; F144-T147 PolarHBondContact O-N 3.35Å; F144-T147 PolarHBondContact O-OG1 3.35Å; F144-T147 VanDerWaalsContact O-OG1 3.1Å; F144-W148 HydrophobicContact CD1-CE3 4.46Å; F144-W148 AromaticContact CE1-CE3 3.72Å; F144-W148 HydrophobicContact CE1-CE3 3.72Å; F144-W148 HydrophobicContact CE1-CZ3 4.02Å; F144-W148 HydrophobicContact CZ-CE3 4.31Å; F144-W148 VanDerWaalsContact O-CB 3.31Å; F144-W148 WeakPolarHBondContact O-CB 3.32Å; F144-W148 PolarHBondContact O-N 3.26Å
145	Y	95.7	Very high	92.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-45.2	178.6	-65.4	-81.3	0	0	0	111.7	F133 T139 C141 S142 T147 W148 C149 I164 H167 G168 A173	F133-Y145 HydrophobicContact CE2-CE1 4.25Å; T139-Y145 WeakPolarHBondContact CA-OH 3.17Å; T139-Y145 VanDerWaalsContact O-CE2 3.24Å; T139-Y145 WeakPolarHBondContact O-CE2 3.18Å; T139-Y145 PolarHBondContact O-OH 3.07Å; C141-Y145 VanDerWaalsContact O-CD2 3.3Å; C141-Y145 WeakPolarHBondContact O-CD2 3.37Å; S142-Y145 PolarHBondContact O-N 3.24Å; Y145-T147 PolarHBondContact O-N 2.85Å; Y145-W148 PolarHBondContact O-N 2.92Å; Y145-C149 WeakPolarHBondContact O-CB 3.33Å; Y145-C149 PolarHBondContact O-N 3.13Å; Y145-C149 PolarHBondContact O-SG 2.94Å; Y145-I164 HydrophobicContact CD1-CG2 3.72Å; Y145-I164 WeakPolarHBondContact CD1-O 3.17Å; Y145-H167 HydrophobicContact CE1-CB 4.49Å; Y145-H167 AromaticContact CE1-ND1 3.6Å; Y145-H167 AromaticContact CZ-ND1 3.74Å; Y145-H167 PolarHBondContact OH-CE1 3.29Å; Y145-H167 PolarHBondContact OH-ND1 2.77Å; Y145-G168 VanDerWaalsContact CE1-CA 3.47Å; Y145-G168 VanDerWaalsContact CZ-CA 3.43Å; Y145-A173 HydrophobicContact CD2-CB 3.84Å; Y145-A173 HydrophobicContact CE2-CB 3.61Å
146	I	95.4	Very high	92.3	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-47.7	-178.7	-68.1	173	0	0	0	110.9	S142 F144 C149 Q150 W178 L179 R182	S142-I146 VanDerWaalsContact O-CG1 3.24Å; S142-I146 WeakPolarHBondContact O-CG1 3.46Å; S142-I146 PolarHBondContact O-N 2.9Å; F144-I146 PolarHBondContact O-N 3.27Å; I146-C149 PolarHBondContact O-N 2.82Å; I146-Q150 WeakPolarHBondContact O-CB 3.32Å; I146-Q150 WeakPolarHBondContact O-CG 3.42Å; I146-Q150 PolarHBondContact O-N 3.25Å; I146-W178 VanDerWaalsContact CD1-CD1 3.46Å; I146-W178 HydrophobicContact CD1-CG 4.36Å; I146-L179 HydrophobicContact CD1-CD1 4.3Å; I146-L179 HydrophobicContact CG1-CD1 3.74Å; I146-R182 HydrophobicContact CB-CG 4.27Å; I146-R182 HydrophobicContact CD1-CB 3.98Å; I146-R182 HydrophobicContact CD1-CG 4.05Å; I146-R182 HydrophobicContact CG1-CB 4.09Å; I146-R182 HydrophobicContact CG1-CG 3.74Å; I146-R182 HydrophobicContact CG2-CG 3.76Å
147	T	94.7	Very high	92.2	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-37	-178.8	54.1	0	0	0	0	112	I116 E143 F144 Y145 Q150 L151	I116-T147 HydrophobicContact CD1-CG2 4.28Å; I116-T147 HydrophobicContact CG2-CG2 4.06Å; E143-T147 HydrophobicContact CG-CG2 4.09Å; E143-T147 WeakPolarHBondContact O-CB 3.21Å; E143-T147 VanDerWaalsContact O-CG2 3.25Å; E143-T147 WeakPolarHBondContact O-CG2 3.32Å; E143-T147 PolarHBondContact O-N 3.43Å; E143-T147 PolarHBondContact O-OG1 3.03Å; F144-T147 PolarHBondContact O-N 3.35Å; F144-T147 PolarHBondContact O-OG1 3.35Å; F144-T147 VanDerWaalsContact O-OG1 3.1Å; Y145-T147 PolarHBondContact O-N 2.85Å; T147-Q150 PolarHBondContact O-N 3.37Å; T147-L151 WeakPolarHBondContact O-CB 3Å; T147-L151 PolarHBondContact O-N 2.66Å; T147-L151 VanDerWaalsContact O-N 3.11Å
148	W	95.1	Very high	92.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-47.1	174	-169.7	10.5	0	0	0	111.9	F129 E130 F133 F144 Y145 L151 L152 I164 L296	F129-W148 HydrophobicContact CB-CB 4.47Å; F129-W148 HydrophobicContact CB-CD2 3.84Å; F129-W148 HydrophobicContact CB-CG 3.75Å; F129-W148 HydrophobicContact CB-CZ2 4.43Å; F129-W148 HydrophobicContact CD1-CB 3.75Å; F129-W148 HydrophobicContact CD1-CD2 4.43Å; F129-W148 AromaticContact CD1-CG 3.94Å; F129-W148 HydrophobicContact CD1-CG 3.94Å; F129-W148 HydrophobicContact CD2-CB 4.46Å; F129-W148 HydrophobicContact CD2-CG 4.36Å; F129-W148 HydrophobicContact CE1-CB 4.04Å; F129-W148 HydrophobicContact CG-CB 4Å; F129-W148 AromaticContact CG-CD1 3.75Å; F129-W148 HydrophobicContact CG-CD2 4.32Å; F129-W148 AromaticContact CG-CG 3.78Å; F129-W148 HydrophobicContact CG-CG 3.78Å; E130-W148 HydrophobicContact CG-CH2 4.49Å; E130-W148 HydrophobicContact CG-CZ2 3.71Å; F133-W148 HydrophobicContact CB-CH2 3.92Å; F133-W148 HydrophobicContact CB-CZ3 3.88Å; F133-W148 HydrophobicContact CD1-CH2 4.45Å; F133-W148 HydrophobicContact CD2-CH2 4.28Å; F133-W148 AromaticContact CD2-CZ3 3.68Å; F133-W148 HydrophobicContact CD2-CZ3 3.68Å; F133-W148 HydrophobicContact CE2-CZ3 4.37Å; F133-W148 AromaticContact CG-CH2 3.96Å; F133-W148 HydrophobicContact CG-CH2 3.96Å; F133-W148 AromaticContact CG-CZ3 3.81Å; F133-W148 HydrophobicContact CG-CZ3 3.81Å; F144-W148 HydrophobicContact CD1-CE3 4.46Å; F144-W148 AromaticContact CE1-CE3 3.72Å; F144-W148 HydrophobicContact CE1-CE3 3.72Å; F144-W148 HydrophobicContact CE1-CZ3 4.02Å; F144-W148 HydrophobicContact CZ-CE3 4.31Å; F144-W148 VanDerWaalsContact O-CB 3.31Å; F144-W148 WeakPolarHBondContact O-CB 3.32Å; F144-W148 PolarHBondContact O-N 3.26Å; Y145-W148 PolarHBondContact O-N 2.92Å; W148-L151 WeakPolarHBondContact O-CB 3.38Å; W148-L151 PolarHBondContact O-N 3.19Å; W148-L152 PolarHBondContact O-N 2.88Å; W148-L152 VanDerWaalsContact O-N 3.09Å; W148-I164 HydrophobicContact CD2-CD1 3.68Å; W148-I164 HydrophobicContact CD2-CG1 4.27Å; W148-I164 HydrophobicContact CD2-CG2 4.16Å; W148-I164 HydrophobicContact CE3-CD1 4.04Å; W148-I164 HydrophobicContact CE3-CG1 4.1Å; W148-I164 HydrophobicContact CE3-CG2 3.69Å; W148-I164 HydrophobicContact CG-CD1 4.13Å; W148-I164 HydrophobicContact CH2-CD1 4.27Å; W148-I164 HydrophobicContact CH2-CG1 4.24Å; W148-I164 HydrophobicContact CZ2-CD1 3.93Å; W148-I164 HydrophobicContact CZ2-CG1 4.38Å; W148-I164 HydrophobicContact CZ3-CD1 4.31Å; W148-I164 HydrophobicContact CZ3-CG1 4.08Å; W148-I164 HydrophobicContact CZ3-CG2 4.22Å; W148-L296 HydrophobicContact CH2-CD2 3.91Å; W148-L296 HydrophobicContact CZ3-CD2 4.07Å
149	C	94.8	Very high	91.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-44.7	176.7	-72.3	0	0	0	0	112.3	Y145 I146 L151 L152 E153 I161 I164 Y165	Y145-C149 WeakPolarHBondContact O-CB 3.33Å; Y145-C149 PolarHBondContact O-N 3.13Å; Y145-C149 PolarHBondContact O-SG 2.94Å; I146-C149 PolarHBondContact O-N 2.82Å; C149-L151 PolarHBondContact O-N 3.32Å; C149-L152 PolarHBondContact O-N 3.47Å; C149-E153 WeakPolarHBondContact O-CB 3.25Å; C149-E153 PolarHBondContact O-N 2.67Å; C149-I161 HydrophobicContact CB-CG2 3.88Å; C149-I164 WeakPolarHBondContact SG-CG2 3.4Å; C149-Y165 HydrophobicContact CB-CD2 4.27Å; C149-Y165 HydrophobicContact CB-CE1 4.18Å; C149-Y165 HydrophobicContact CB-CE2 3.52Å; C149-Y165 VanDerWaalsContact CB-CZ 3.46Å; C149-Y165 WeakPolarHBondContact CB-OH 3.49Å; C149-Y165 VanDerWaalsContact SG-CE2 3.52Å
150	Q	93.5	Very high	91.8	Very high	48 Å²	48	49 Å²	49	22%	0.224	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-36.4	175.9	-75.6	169.3	13.7	0	0	112.7	I146 T147	I146-Q150 WeakPolarHBondContact O-CB 3.32Å; I146-Q150 WeakPolarHBondContact O-CG 3.42Å; I146-Q150 PolarHBondContact O-N 3.25Å; T147-Q150 PolarHBondContact O-N 3.37Å
151	L	92.5	Very high	91.7	Very high	37 Å²	37	45.1 Å²	45.1	19%	0.194	22%	0.219	C	C	.	.	H	α-helix	trans	-69.9	-43.2	178.3	-178.8	66.8	0	0	0	111.3	P125 I126 F129 T147 W148 C149 E153 K154	P125-L151 HydrophobicContact CB-CD2 3.58Å; P125-L151 HydrophobicContact CG-CD1 3.82Å; P125-L151 HydrophobicContact CG-CD2 3.64Å; P125-L151 HydrophobicContact CG-CG 4.3Å; I126-L151 HydrophobicContact CG1-CD2 3.65Å; I126-L151 HydrophobicContact CG1-CG 3.93Å; F129-L151 HydrophobicContact CD2-CD2 3.77Å; F129-L151 HydrophobicContact CE2-CD2 3.78Å; T147-L151 WeakPolarHBondContact O-CB 3Å; T147-L151 PolarHBondContact O-N 2.66Å; T147-L151 VanDerWaalsContact O-N 3.11Å; W148-L151 WeakPolarHBondContact O-CB 3.38Å; W148-L151 PolarHBondContact O-N 3.19Å; C149-L151 PolarHBondContact O-N 3.32Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-K154 WeakPolarHBondContact O-CB 3.45Å; L151-K154 PolarHBondContact O-N 3.45Å
152	L	92.6	Very high	91.5	Very high	6 Å²	6	46 Å²	46	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-69	-28.9	176.6	-74.4	169.9	0	0	0	113.1	I126 W148 C149 K154 G155 K156 K160 I161 I164	I126-L152 HydrophobicContact CD1-CD2 3.92Å; I126-L152 HydrophobicContact CG1-CD2 4.22Å; I126-L152 HydrophobicContact CG2-CD2 3.97Å; W148-L152 PolarHBondContact O-N 2.88Å; W148-L152 VanDerWaalsContact O-N 3.09Å; C149-L152 PolarHBondContact O-N 3.47Å; L152-K154 PolarHBondContact O-N 3.24Å; L152-G155 CarbonylContact O-C 3.5Å; L152-G155 WeakPolarHBondContact O-CA 3.4Å; L152-G155 PolarHBondContact O-N 2.85Å; L152-K156 PolarHBondContact O-N 3.37Å; L152-K160 HydrophobicContact CD1-CD 4.04Å; L152-K160 HydrophobicContact CD1-CG 3.99Å; L152-K160 HydrophobicContact CD2-CD 4.26Å; L152-I161 HydrophobicContact CB-CD1 3.98Å; L152-I161 HydrophobicContact CB-CG1 3.6Å; L152-I161 HydrophobicContact CD1-CG1 4.36Å; L152-I164 HydrophobicContact CD1-CD1 3.18Å
153	E	90.3	Very high	91.2	Very high	46 Å²	46	46 Å²	46	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-33.1	177.7	-164.4	171.7	174.5	0	0	111.2	C149 L151 G155 K156 I161 R189	C149-E153 WeakPolarHBondContact O-CB 3.25Å; C149-E153 PolarHBondContact O-N 2.67Å; L151-E153 VanDerWaalsContact C-N 3.32Å; E153-G155 VanDerWaalsContact C-N 3.27Å; E153-G155 PolarHBondContact O-N 3.43Å; E153-K156 PolarHBondContact O-N 3.19Å; E153-K156 VanDerWaalsContact O-N 3.14Å; E153-I161 HydrophobicContact CB-CD1 4Å; E153-R189 IonicContact OE1-CZ 2.91Å; E153-R189 IonicContact OE1-NE 2.83Å; E153-R189 PolarHBondContact OE1-NE 2.95Å; E153-R189 IonicContact OE1-NH2 3.96Å; E153-R189 PolarHBondContact OE1-NH2 3.21Å; E153-R189 IonicContact OE2-CZ 2.76Å; E153-R189 IonicContact OE2-NE 2.76Å; E153-R189 IonicContact OE2-NH2 3.94Å; E153-R189 PolarHBondContact OE2-NH2 2.92Å
154	K	87.5	Confident	91.1	Very high	178 Å²	178	41.2 Å²	41.2	77%	0.774	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-32	172.8	-61.3	-178.3	-179.9	-179.8	0	113.1	L151 L152 K156	L151-K154 WeakPolarHBondContact O-CB 3.45Å; L151-K154 PolarHBondContact O-N 3.45Å; L152-K154 PolarHBondContact O-N 3.24Å; K154-K156 VanDerWaalsContact C-N 3.35Å
155	G	85.5	Confident	91	Very high	61 Å²	61	41.3 Å²	41.3	63%	0.629	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3.7	176.9	0	0	0	0	0	114.3	L152 E153 N157	L152-G155 CarbonylContact O-C 3.5Å; L152-G155 WeakPolarHBondContact O-CA 3.4Å; L152-G155 PolarHBondContact O-N 2.85Å; E153-G155 VanDerWaalsContact C-N 3.27Å; E153-G155 PolarHBondContact O-N 3.43Å; G155-N157 PolarHBondContact O-N 3.32Å; G155-N157 VanDerWaalsContact O-N 3.13Å
156	K	84.5	Confident	90.7	Very high	150 Å²	150	43.4 Å²	43.4	65%	0.652	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.5	-178.2	-59	-173.8	178.9	-176.7	0	114.7	L152 E153 K154 Y158	L152-K156 PolarHBondContact O-N 3.37Å; E153-K156 PolarHBondContact O-N 3.19Å; E153-K156 VanDerWaalsContact O-N 3.14Å; K154-K156 VanDerWaalsContact C-N 3.35Å; K156-Y158 VanDerWaalsContact C-N 3.31Å; K156-Y158 HydrophobicContact CB-CE2 3.9Å; K156-Y158 HydrophobicContact CG-CE2 4.47Å; K156-Y158 VanDerWaalsContact O-CD2 3.31Å; K156-Y158 WeakPolarHBondContact O-CD2 3.35Å; K156-Y158 PolarHBondContact O-N 2.84Å; K156-Y158 VanDerWaalsContact O-N 3.09Å
157	N	85.8	Confident	90.6	Very high	75 Å²	75	45.7 Å²	45.7	40%	0.401	23%	0.232	S	C	.	.			trans	-87.5	68.3	177.4	-166.7	-14.5	0	0	0	111.2	G155 R159 K160 I161	G155-N157 PolarHBondContact O-N 3.32Å; G155-N157 VanDerWaalsContact O-N 3.13Å; N157-R159 VanDerWaalsContact C-N 3.32Å; N157-R159 PolarHBondContact O-N 3.43Å; N157-K160 HydrophobicContact CB-CB 4.46Å; N157-K160 PolarHBondContact O-N 3.26Å; N157-K160 WeakPolarHBondContact OD1-CB 3.21Å; N157-K160 PolarHBondContact OD1-N 3.05Å; N157-I161 VanDerWaalsContact O-CG1 3.29Å; N157-I161 WeakPolarHBondContact O-CG1 3.4Å; N157-I161 PolarHBondContact O-N 2.7Å
158	Y	88.8	Confident	90.4	Very high	54 Å²	54	45.1 Å²	45.1	21%	0.212	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-37.7	-172	-58.9	-68.1	0	0	0	113.8	K156 K160 I161 A162 F186 Y190	K156-Y158 VanDerWaalsContact C-N 3.31Å; K156-Y158 HydrophobicContact CB-CE2 3.9Å; K156-Y158 HydrophobicContact CG-CE2 4.47Å; K156-Y158 VanDerWaalsContact O-CD2 3.31Å; K156-Y158 WeakPolarHBondContact O-CD2 3.35Å; K156-Y158 PolarHBondContact O-N 2.84Å; K156-Y158 VanDerWaalsContact O-N 3.09Å; Y158-K160 PolarHBondContact O-N 3.43Å; Y158-I161 WeakPolarHBondContact O-CB 3.44Å; Y158-I161 PolarHBondContact O-N 3.38Å; Y158-A162 PolarHBondContact O-N 3.41Å; Y158-F186 AromaticContact CD1-CE2 3.91Å; Y158-F186 HydrophobicContact CD1-CE2 3.91Å; Y158-F186 AromaticContact CD1-CZ 4Å; Y158-F186 HydrophobicContact CD1-CZ 4Å; Y158-F186 HydrophobicContact CE1-CE2 4.48Å; Y158-Y190 AromaticContact CD1-CD2 3.4Å; Y158-Y190 HydrophobicContact CD1-CD2 3.4Å; Y158-Y190 VanDerWaalsContact CD1-CD2 3.4Å; Y158-Y190 AromaticContact CD1-CE2 3.9Å; Y158-Y190 HydrophobicContact CD1-CE2 3.9Å; Y158-Y190 HydrophobicContact CD1-CG 4.29Å; Y158-Y190 AromaticContact CD2-CD2 3.9Å; Y158-Y190 HydrophobicContact CD2-CD2 3.9Å; Y158-Y190 AromaticContact CD2-CE2 3.57Å; Y158-Y190 HydrophobicContact CD2-CE2 3.57Å; Y158-Y190 AromaticContact CE1-CD2 3.78Å; Y158-Y190 HydrophobicContact CE1-CD2 3.78Å; Y158-Y190 HydrophobicContact CE1-CE2 4.44Å; Y158-Y190 HydrophobicContact CE2-CD2 4.23Å; Y158-Y190 HydrophobicContact CE2-CE2 4.14Å; Y158-Y190 AromaticContact CG-CD2 3.47Å; Y158-Y190 HydrophobicContact CG-CD2 3.47Å; Y158-Y190 VanDerWaalsContact CG-CD2 3.47Å; Y158-Y190 AromaticContact CG-CE2 3.42Å; Y158-Y190 HydrophobicContact CG-CE2 3.42Å; Y158-Y190 VanDerWaalsContact CG-CE2 3.42Å
159	R	87.1	Confident	90.3	Very high	137 Å²	137	47.9 Å²	47.9	52%	0.517	24%	0.243	S	C	.	.	H	α-helix	trans	-59.8	-48.8	178.8	180	174.4	163.3	168.4	-7	111.6	N157 I161 A162 S163 V291 D295	N157-R159 VanDerWaalsContact C-N 3.32Å; N157-R159 PolarHBondContact O-N 3.43Å; R159-I161 VanDerWaalsContact C-N 3.32Å; R159-I161 PolarHBondContact O-N 3.42Å; R159-A162 PolarHBondContact O-N 3.27Å; R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 VanDerWaalsContact O-N 3.13Å; R159-S163 PolarHBondContact O-OG 2.93Å; R159-V291 VanDerWaalsContact NH2-CG1 3.26Å; R159-D295 WeakPolarHBondContact CG-OD2 3.45Å; R159-D295 IonicContact CZ-OD1 2.82Å; R159-D295 IonicContact CZ-OD2 2.76Å; R159-D295 IonicContact NE-OD1 2.88Å; R159-D295 IonicContact NE-OD2 2.83Å; R159-D295 PolarHBondContact NE-OD2 3.34Å; R159-D295 IonicContact NH2-OD1 2.75Å; R159-D295 PolarHBondContact NH2-OD1 2.94Å; R159-D295 IonicContact NH2-OD2 3.24Å; R159-D295 PolarHBondContact NH2-OD2 3.43Å
160	K	89.5	Confident	90.1	Very high	31 Å²	31	57.7 Å²	57.7	14%	0.135	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-37.6	177.3	-172	170.1	-176.2	163.1	0	112.4	E130 L152 N157 Y158 S163 I164	E130-K160 IonicContact OE1-NZ 3.24Å; E130-K160 PolarHBondContact OE1-NZ 3.45Å; L152-K160 HydrophobicContact CD1-CD 4.04Å; L152-K160 HydrophobicContact CD1-CG 3.99Å; L152-K160 HydrophobicContact CD2-CD 4.26Å; N157-K160 HydrophobicContact CB-CB 4.46Å; N157-K160 PolarHBondContact O-N 3.26Å; N157-K160 WeakPolarHBondContact OD1-CB 3.21Å; N157-K160 PolarHBondContact OD1-N 3.05Å; Y158-K160 PolarHBondContact O-N 3.43Å; K160-S163 WeakPolarHBondContact O-CB 3.27Å; K160-S163 PolarHBondContact O-N 3.23Å; K160-I164 HydrophobicContact CG-CD1 3.92Å; K160-I164 WeakPolarHBondContact O-CD1 3.16Å; K160-I164 VanDerWaalsContact O-CG1 3.27Å; K160-I164 WeakPolarHBondContact O-CG1 3.21Å; K160-I164 PolarHBondContact O-N 2.97Å
161	I	91.5	Very high	90	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-44.7	176.6	-65	164.5	0	0	0	110.8	C149 L152 E153 N157 Y158 R159 S163 I164 Y165 F186	C149-I161 HydrophobicContact CB-CG2 3.88Å; L152-I161 HydrophobicContact CB-CD1 3.98Å; L152-I161 HydrophobicContact CB-CG1 3.6Å; L152-I161 HydrophobicContact CD1-CG1 4.36Å; E153-I161 HydrophobicContact CB-CD1 4Å; N157-I161 VanDerWaalsContact O-CG1 3.29Å; N157-I161 WeakPolarHBondContact O-CG1 3.4Å; N157-I161 PolarHBondContact O-N 2.7Å; Y158-I161 WeakPolarHBondContact O-CB 3.44Å; Y158-I161 PolarHBondContact O-N 3.38Å; R159-I161 VanDerWaalsContact C-N 3.32Å; R159-I161 PolarHBondContact O-N 3.42Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 3.41Å; I161-I164 PolarHBondContact O-N 3.39Å; I161-Y165 HydrophobicContact CG2-CD2 3.64Å; I161-Y165 HydrophobicContact CG2-CE2 3.5Å; I161-Y165 VanDerWaalsContact CG2-CE2 3.5Å; I161-Y165 WeakPolarHBondContact O-CD2 3.44Å; I161-Y165 PolarHBondContact O-N 3.15Å; I161-F186 HydrophobicContact CB-CE1 4.37Å; I161-F186 HydrophobicContact CB-CE2 4.06Å; I161-F186 HydrophobicContact CB-CZ 3.79Å; I161-F186 HydrophobicContact CD1-CE2 3.87Å; I161-F186 HydrophobicContact CD1-CZ 4.3Å; I161-F186 HydrophobicContact CG2-CD1 4.03Å; I161-F186 HydrophobicContact CG2-CD2 3.8Å; I161-F186 HydrophobicContact CG2-CE1 3.68Å; I161-F186 HydrophobicContact CG2-CE2 3.42Å; I161-F186 VanDerWaalsContact CG2-CE2 3.42Å; I161-F186 HydrophobicContact CG2-CG 4.08Å; I161-F186 HydrophobicContact CG2-CZ 3.36Å
162	A	90.3	Very high	90	Very high	23 Å²	23	56.5 Å²	56.5	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-44.6	176.7	0	0	0	0	0	111.5	Y158 R159 I164 Y165 A166	Y158-A162 PolarHBondContact O-N 3.41Å; R159-A162 PolarHBondContact O-N 3.27Å; A162-I164 PolarHBondContact O-N 2.89Å; A162-Y165 PolarHBondContact O-N 3.48Å; A162-A166 VanDerWaalsContact O-CB 3.29Å; A162-A166 WeakPolarHBondContact O-CB 3.43Å; A162-A166 PolarHBondContact O-N 3.35Å
163	S	90.2	Very high	90	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-44.9	174.6	-61.1	0	0	0	0	113	R159 K160 I161 A166 H167 L292 L296	R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 VanDerWaalsContact O-N 3.13Å; R159-S163 PolarHBondContact O-OG 2.93Å; K160-S163 WeakPolarHBondContact O-CB 3.27Å; K160-S163 PolarHBondContact O-N 3.23Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 3.41Å; S163-A166 PolarHBondContact O-N 3.2Å; S163-H167 WeakPolarHBondContact O-CB 3.29Å; S163-H167 PolarHBondContact O-N 3.3Å; S163-L292 WeakPolarHBondContact CB-O 3.21Å; S163-L292 WeakPolarHBondContact OG-CA 3.41Å; S163-L292 PolarHBondContact OG-O 3.26Å; S163-L296 WeakPolarHBondContact O-CD1 3.47Å
164	I	92.4	Very high	90.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-44.9	-178.9	-68.3	161.4	0	0	0	111.1	Y145 W148 C149 L152 K160 I161 A162 H167 G168 L296	Y145-I164 HydrophobicContact CD1-CG2 3.72Å; Y145-I164 WeakPolarHBondContact CD1-O 3.17Å; W148-I164 HydrophobicContact CD2-CD1 3.68Å; W148-I164 HydrophobicContact CD2-CG1 4.27Å; W148-I164 HydrophobicContact CD2-CG2 4.16Å; W148-I164 HydrophobicContact CE3-CD1 4.04Å; W148-I164 HydrophobicContact CE3-CG1 4.1Å; W148-I164 HydrophobicContact CE3-CG2 3.69Å; W148-I164 HydrophobicContact CG-CD1 4.13Å; W148-I164 HydrophobicContact CH2-CD1 4.27Å; W148-I164 HydrophobicContact CH2-CG1 4.24Å; W148-I164 HydrophobicContact CZ2-CD1 3.93Å; W148-I164 HydrophobicContact CZ2-CG1 4.38Å; W148-I164 HydrophobicContact CZ3-CD1 4.31Å; W148-I164 HydrophobicContact CZ3-CG1 4.08Å; W148-I164 HydrophobicContact CZ3-CG2 4.22Å; C149-I164 WeakPolarHBondContact SG-CG2 3.4Å; L152-I164 HydrophobicContact CD1-CD1 3.18Å; K160-I164 HydrophobicContact CG-CD1 3.92Å; K160-I164 WeakPolarHBondContact O-CD1 3.16Å; K160-I164 VanDerWaalsContact O-CG1 3.27Å; K160-I164 WeakPolarHBondContact O-CG1 3.21Å; K160-I164 PolarHBondContact O-N 2.97Å; I161-I164 PolarHBondContact O-N 3.39Å; A162-I164 PolarHBondContact O-N 2.89Å; I164-H167 PolarHBondContact O-N 3.29Å; I164-G168 PolarHBondContact O-N 3.2Å; I164-L296 HydrophobicContact CG1-CD2 3.78Å
165	Y	92.9	Very high	90.6	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-46	174.7	-80.3	-59.6	0	0	0	111.7	C149 I161 A162 H167 G168 L169 L179 R182 A183 F186	C149-Y165 HydrophobicContact CB-CD2 4.27Å; C149-Y165 HydrophobicContact CB-CE1 4.18Å; C149-Y165 HydrophobicContact CB-CE2 3.52Å; C149-Y165 VanDerWaalsContact CB-CZ 3.46Å; C149-Y165 WeakPolarHBondContact CB-OH 3.49Å; C149-Y165 VanDerWaalsContact SG-CE2 3.52Å; I161-Y165 HydrophobicContact CG2-CD2 3.64Å; I161-Y165 HydrophobicContact CG2-CE2 3.5Å; I161-Y165 VanDerWaalsContact CG2-CE2 3.5Å; I161-Y165 WeakPolarHBondContact O-CD2 3.44Å; I161-Y165 PolarHBondContact O-N 3.15Å; A162-Y165 PolarHBondContact O-N 3.48Å; Y165-H167 VanDerWaalsContact C-N 3.26Å; Y165-H167 PolarHBondContact O-N 3.05Å; Y165-G168 PolarHBondContact O-N 3.49Å; Y165-G168 VanDerWaalsContact O-N 3.17Å; Y165-L169 WeakPolarHBondContact O-CB 3.15Å; Y165-L169 VanDerWaalsContact O-CG 3.3Å; Y165-L169 WeakPolarHBondContact O-CG 3.26Å; Y165-L169 PolarHBondContact O-N 3.44Å; Y165-L179 HydrophobicContact CD1-CD1 3.91Å; Y165-L179 HydrophobicContact CE1-CD1 4.05Å; Y165-R182 HydrophobicContact CE1-CG 4.24Å; Y165-A183 HydrophobicContact CD1-CB 3.76Å; Y165-A183 HydrophobicContact CD2-CB 4.47Å; Y165-A183 HydrophobicContact CE1-CB 4.2Å; Y165-A183 HydrophobicContact CG-CB 3.93Å; Y165-F186 AromaticContact CD2-CD1 3.99Å; Y165-F186 HydrophobicContact CD2-CD1 3.99Å; Y165-F186 HydrophobicContact CD2-CG 4.32Å; Y165-F186 HydrophobicContact CE2-CB 3.75Å; Y165-F186 AromaticContact CE2-CD1 3.88Å; Y165-F186 HydrophobicContact CE2-CD1 3.88Å; Y165-F186 HydrophobicContact CE2-CD2 4.39Å; Y165-F186 AromaticContact CE2-CG 3.73Å; Y165-F186 HydrophobicContact CE2-CG 3.73Å
166	A	90.4	Very high	91	Very high	45 Å²	45	57.2 Å²	57.2	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-40.6	177.1	0	0	0	0	0	111.7	A162 S163 R170	A162-A166 VanDerWaalsContact O-CB 3.29Å; A162-A166 WeakPolarHBondContact O-CB 3.43Å; A162-A166 PolarHBondContact O-N 3.35Å; S163-A166 PolarHBondContact O-N 3.2Å; A166-R170 VanDerWaalsContact O-CB 3.26Å; A166-R170 WeakPolarHBondContact O-CB 3.3Å; A166-R170 PolarHBondContact O-N 3.39Å
167	H	92.1	Very high	91.4	Very high	53 Å²	53	56.6 Å²	56.6	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-48.6	174.7	-174.8	-75.9	0	0	0	112.3	F133 Y145 S163 I164 Y165 L169 R170 A171 L296	F133-H167 AromaticContact CE2-CE1 3.51Å; F133-H167 AromaticContact CE2-ND1 3.59Å; F133-H167 AromaticContact CZ-CD2 3.83Å; F133-H167 AromaticContact CZ-CE1 3.51Å; F133-H167 AromaticContact CZ-ND1 3.81Å; F133-H167 AromaticContact CZ-NE2 3.52Å; Y145-H167 HydrophobicContact CE1-CB 4.49Å; Y145-H167 AromaticContact CE1-ND1 3.6Å; Y145-H167 AromaticContact CZ-ND1 3.74Å; Y145-H167 PolarHBondContact OH-CE1 3.29Å; Y145-H167 PolarHBondContact OH-ND1 2.77Å; S163-H167 WeakPolarHBondContact O-CB 3.29Å; S163-H167 PolarHBondContact O-N 3.3Å; I164-H167 PolarHBondContact O-N 3.29Å; Y165-H167 VanDerWaalsContact C-N 3.26Å; Y165-H167 PolarHBondContact O-N 3.05Å; H167-L169 VanDerWaalsContact C-N 3.33Å; H167-L169 PolarHBondContact O-N 3.15Å; H167-R170 PolarHBondContact O-N 3.16Å; H167-A171 WeakPolarHBondContact O-CB 3.4Å; H167-A171 PolarHBondContact O-N 2.74Å; H167-L296 HydrophobicContact CB-CD1 3.71Å
168	G	91.7	Very high	91.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-39.5	-179.3	0	0	0	0	0	113.2	Y145 I164 Y165 A171 G172 A173 L179	Y145-G168 VanDerWaalsContact CE1-CA 3.47Å; Y145-G168 VanDerWaalsContact CZ-CA 3.43Å; I164-G168 PolarHBondContact O-N 3.2Å; Y165-G168 PolarHBondContact O-N 3.49Å; Y165-G168 VanDerWaalsContact O-N 3.17Å; G168-A171 PolarHBondContact O-N 2.99Å; G168-G172 PolarHBondContact O-N 3.41Å; G168-A173 PolarHBondContact O-N 3.43Å; G168-A173 VanDerWaalsContact O-N 3.15Å; G168-L179 VanDerWaalsContact C-CD2 3.43Å
169	L	92.2	Very high	92.2	Very high	57 Å²	57	56.8 Å²	56.8	30%	0.298	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-46.2	174.5	-69.4	171.8	0	0	0	111.1	Y165 H167 A171 G172 L176 L179 E180 A183	Y165-L169 WeakPolarHBondContact O-CB 3.15Å; Y165-L169 VanDerWaalsContact O-CG 3.3Å; Y165-L169 WeakPolarHBondContact O-CG 3.26Å; Y165-L169 PolarHBondContact O-N 3.44Å; H167-L169 VanDerWaalsContact C-N 3.33Å; H167-L169 PolarHBondContact O-N 3.15Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 3.23Å; L169-G172 PolarHBondContact O-N 2.9Å; L169-L176 HydrophobicContact CD2-CD1 4.04Å; L169-L179 HydrophobicContact CD2-CB 4.32Å; L169-L179 HydrophobicContact CD2-CD2 4.01Å; L169-L179 HydrophobicContact CD2-CG 3.92Å; L169-L179 HydrophobicContact CG-CD2 4.26Å; L169-L179 HydrophobicContact CG-CG 4.36Å; L169-E180 HydrophobicContact CD2-CB 4.4Å; L169-E180 HydrophobicContact CD2-CG 3.44Å; L169-E180 VanDerWaalsContact CD2-CG 3.44Å; L169-A183 HydrophobicContact CD1-CB 4.42Å
170	R	92	Very high	92.6	Very high	206 Å²	206	53.7 Å²	53.7	78%	0.777	27%	0.272	S	S	*	.	H	α-helix	trans	-62.4	-35.5	175.8	-178.7	175.9	177	158.1	1.3	112.8	A166 H167 G172	A166-R170 VanDerWaalsContact O-CB 3.26Å; A166-R170 WeakPolarHBondContact O-CB 3.3Å; A166-R170 PolarHBondContact O-N 3.39Å; H167-R170 PolarHBondContact O-N 3.16Å; R170-G172 PolarHBondContact O-N 2.88Å
171	A	90.2	Very high	92.9	Very high	33 Å²	33	56.3 Å²	56.3	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-72.4	-14.6	176.7	0	0	0	0	0	112.9	M140 H167 G168 L169	M140-A171 VanDerWaalsContact CE-O 3.3Å; M140-A171 WeakPolarHBondContact CE-O 3.44Å; H167-A171 WeakPolarHBondContact O-CB 3.4Å; H167-A171 PolarHBondContact O-N 2.74Å; G168-A171 PolarHBondContact O-N 2.99Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 3.23Å
172	G	91.9	Very high	93	Very high	27 Å²	27	59.5 Å²	59.5	28%	0.278	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	37.1	-175.9	0	0	0	0	0	112.7	G168 L169 R170 K174	G168-G172 PolarHBondContact O-N 3.41Å; L169-G172 PolarHBondContact O-N 2.9Å; R170-G172 PolarHBondContact O-N 2.88Å; G172-K174 PolarHBondContact O-N 3.5Å
173	A	93.7	Very high	93.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-62.2	133.4	-177.4	0	0	0	0	0	111.7	M140 Y145 G168 P175 L176 L179	M140-A173 CarbonylContact O-C 3.52Å; M140-A173 VanDerWaalsContact O-CA 3.28Å; M140-A173 WeakPolarHBondContact O-CA 3.23Å; Y145-A173 HydrophobicContact CD2-CB 3.84Å; Y145-A173 HydrophobicContact CE2-CB 3.61Å; G168-A173 PolarHBondContact O-N 3.43Å; G168-A173 VanDerWaalsContact O-N 3.15Å; A173-P175 CarbonylContact O-C 3.34Å; A173-L176 VanDerWaalsContact O-CA 3.31Å; A173-L176 WeakPolarHBondContact O-CA 3.36Å; A173-L176 PolarHBondContact O-N 2.96Å; A173-L179 HydrophobicContact CB-CD2 4.06Å
174	K	93.8	Very high	93.4	Very high	155 Å²	155	64.8 Å²	64.8	67%	0.674	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-97.9	145.4	-171.3	-65	-178.3	-178.9	178.2	0	111.9	M140 S142 G172	M140-K174 PolarHBondContact O-N 3.12Å; S142-K174 PolarHBondContact N-O 3.18Å; S142-K174 PolarHBondContact OG-O 3.22Å; G172-K174 PolarHBondContact O-N 3.5Å
175	P	95.7	Very high	93.5	Very high	83 Å²	83	66.4 Å²	66.4	54%	0.539	34%	0.335	S	S	.	.	S	Bend	cis	-68.4	130	-12	-19.3	32.5	0	0	0	112.3	S142 A173 W178 L179	S142-P175 VanDerWaalsContact OG-CD 3.25Å; S142-P175 WeakPolarHBondContact OG-CD 3.25Å; S142-P175 PolarHBondContact OG-O 2.93Å; A173-P175 CarbonylContact O-C 3.34Å; P175-W178 HydrophobicContact CB-CB 4.08Å; P175-W178 PolarHBondContact O-N 3.46Å; P175-L179 PolarHBondContact O-N 3.02Å
176	L	93.6	Very high	93.5	Very high	68 Å²	68	66.4 Å²	66.4	36%	0.356	34%	0.335	S	S	.	.	H	α-helix	trans	-67.5	-48.8	-173.6	179.3	63.9	0	0	0	112.3	L169 A173 W178 L179 E180	L169-L176 HydrophobicContact CD2-CD1 4.04Å; A173-L176 VanDerWaalsContact O-CA 3.31Å; A173-L176 WeakPolarHBondContact O-CA 3.36Å; A173-L176 PolarHBondContact O-N 2.96Å; L176-W178 PolarHBondContact O-N 2.87Å; L176-W178 VanDerWaalsContact O-N 3.14Å; L176-L179 WeakPolarHBondContact O-CA 3.38Å; L176-L179 WeakPolarHBondContact O-CB 3.43Å; L176-L179 PolarHBondContact O-N 2.9Å; L176-E180 HydrophobicContact CD1-CG 4.49Å; L176-E180 HydrophobicContact CG-CG 4.47Å; L176-E180 PolarHBondContact O-N 3.41Å
177	L	94.8	Very high	93.5	Very high	138 Å²	138	67.1 Å²	67.1	72%	0.723	33%	0.329	S	S	*	.	H	α-helix	trans	-55.2	-35.3	178	-67.2	171.3	0	0	0	112.3	E180 D181	L177-E180 PolarHBondContact O-N 3.34Å; L177-D181 WeakPolarHBondContact O-CB 3.31Å; L177-D181 PolarHBondContact O-N 3.14Å
178	W	94.7	Very high	93.5	Very high	133 Å²	133	70.5 Å²	70.5	50%	0.504	35%	0.345	S	S	.	.	H	α-helix	trans	-70.6	-34.6	176.9	-177.1	-118.7	0	0	0	112.6	I146 P175 L176 R182	I146-W178 VanDerWaalsContact CD1-CD1 3.46Å; I146-W178 HydrophobicContact CD1-CG 4.36Å; P175-W178 HydrophobicContact CB-CB 4.08Å; P175-W178 PolarHBondContact O-N 3.46Å; L176-W178 PolarHBondContact O-N 2.87Å; L176-W178 VanDerWaalsContact O-N 3.14Å; W178-R182 VanDerWaalsContact O-CB 3.32Å; W178-R182 WeakPolarHBondContact O-CB 3.38Å; W178-R182 PolarHBondContact O-N 2.87Å
179	L	95	Very high	93.5	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-69.1	-41.6	174.5	-174.3	59.4	0	0	0	111.5	I146 Y165 G168 L169 A173 P175 L176 R182 A183	I146-L179 HydrophobicContact CD1-CD1 4.3Å; I146-L179 HydrophobicContact CG1-CD1 3.74Å; Y165-L179 HydrophobicContact CD1-CD1 3.91Å; Y165-L179 HydrophobicContact CE1-CD1 4.05Å; G168-L179 VanDerWaalsContact C-CD2 3.43Å; L169-L179 HydrophobicContact CD2-CB 4.32Å; L169-L179 HydrophobicContact CD2-CD2 4.01Å; L169-L179 HydrophobicContact CD2-CG 3.92Å; L169-L179 HydrophobicContact CG-CD2 4.26Å; L169-L179 HydrophobicContact CG-CG 4.36Å; A173-L179 HydrophobicContact CB-CD2 4.06Å; P175-L179 PolarHBondContact O-N 3.02Å; L176-L179 WeakPolarHBondContact O-CA 3.38Å; L176-L179 WeakPolarHBondContact O-CB 3.43Å; L176-L179 PolarHBondContact O-N 2.9Å; L179-R182 PolarHBondContact O-N 3.02Å; L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.21Å
180	E	95.2	Very high	93.3	Very high	72 Å²	72	75.6 Å²	75.6	34%	0.336	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-54.8	176.6	-71.1	171	169.8	0	0	111.2	L169 L176 L177 R182 A183 E184	L169-E180 HydrophobicContact CD2-CB 4.4Å; L169-E180 HydrophobicContact CD2-CG 3.44Å; L169-E180 VanDerWaalsContact CD2-CG 3.44Å; L176-E180 HydrophobicContact CD1-CG 4.49Å; L176-E180 HydrophobicContact CG-CG 4.47Å; L176-E180 PolarHBondContact O-N 3.41Å; L177-E180 PolarHBondContact O-N 3.34Å; E180-R182 PolarHBondContact O-N 3.07Å; E180-A183 WeakPolarHBondContact O-CB 3.46Å; E180-A183 PolarHBondContact O-N 3.01Å; E180-E184 WeakPolarHBondContact O-CG 3.28Å; E180-E184 PolarHBondContact O-N 3.25Å
181	D	96	Very high	93.2	Very high	86 Å²	86	70.2 Å²	70.2	46%	0.46	35%	0.345	S	S	.	.	H	α-helix	trans	-53.1	-43.6	176.6	176.7	56	0	0	0	111.5	L177 E184 A185	L177-D181 WeakPolarHBondContact O-CB 3.31Å; L177-D181 PolarHBondContact O-N 3.14Å; D181-E184 PolarHBondContact O-N 2.76Å; D181-A185 WeakPolarHBondContact O-CB 3.15Å; D181-A185 PolarHBondContact O-N 3.13Å
182	R	95.4	Very high	93.1	Very high	66 Å²	66	70.8 Å²	70.8	25%	0.249	35%	0.347	C	S	.	.	H	α-helix	trans	-70.3	-34.4	179.4	179.9	57.1	88	134.4	3.5	113.3	I146 Y165 W178 L179 E180 F186	I146-R182 HydrophobicContact CB-CG 4.27Å; I146-R182 HydrophobicContact CD1-CB 3.98Å; I146-R182 HydrophobicContact CD1-CG 4.05Å; I146-R182 HydrophobicContact CG1-CB 4.09Å; I146-R182 HydrophobicContact CG1-CG 3.74Å; I146-R182 HydrophobicContact CG2-CG 3.76Å; Y165-R182 HydrophobicContact CE1-CG 4.24Å; W178-R182 VanDerWaalsContact O-CB 3.32Å; W178-R182 WeakPolarHBondContact O-CB 3.38Å; W178-R182 PolarHBondContact O-N 2.87Å; L179-R182 PolarHBondContact O-N 3.02Å; E180-R182 PolarHBondContact O-N 3.07Å; R182-F186 PolarHBondContact O-N 3.42Å
183	A	93.5	Very high	92.8	Very high	3 Å²	3	71.9 Å²	71.9	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-46.1	174.4	0	0	0	0	0	110.7	Y165 L169 L179 E180 A185 F186 F187	Y165-A183 HydrophobicContact CD1-CB 3.76Å; Y165-A183 HydrophobicContact CD2-CB 4.47Å; Y165-A183 HydrophobicContact CE1-CB 4.2Å; Y165-A183 HydrophobicContact CG-CB 3.93Å; L169-A183 HydrophobicContact CD1-CB 4.42Å; L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.21Å; E180-A183 WeakPolarHBondContact O-CB 3.46Å; E180-A183 PolarHBondContact O-N 3.01Å; A183-A185 PolarHBondContact O-N 3Å; A183-F186 WeakPolarHBondContact O-CA 3.36Å; A183-F186 WeakPolarHBondContact O-CB 3.25Å; A183-F186 PolarHBondContact O-N 3.17Å; A183-F187 HydrophobicContact CB-CE2 4.41Å; A183-F187 WeakPolarHBondContact O-CD2 3.36Å; A183-F187 PolarHBondContact O-N 3.41Å
184	E	94.5	Very high	92.4	Very high	133 Å²	133	75.8 Å²	75.8	62%	0.621	37%	0.371	S	S	*	.	H	α-helix	trans	-57.6	-46.7	173.8	-71.6	-177.1	-173.9	0	0	111.6	E180 D181 F186 F187 H188	E180-E184 WeakPolarHBondContact O-CG 3.28Å; E180-E184 PolarHBondContact O-N 3.25Å; D181-E184 PolarHBondContact O-N 2.76Å; E184-F186 PolarHBondContact O-N 3.18Å; E184-F187 PolarHBondContact O-N 2.9Å; E184-F187 VanDerWaalsContact O-N 3.11Å; E184-H188 PolarHBondContact O-N 3.2Å
185	A	94.4	Very high	92	Very high	35 Å²	35	75.1 Å²	75.1	29%	0.289	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-36.4	175.6	0	0	0	0	0	112.1	D181 A183 R189	D181-A185 WeakPolarHBondContact O-CB 3.15Å; D181-A185 PolarHBondContact O-N 3.13Å; A183-A185 PolarHBondContact O-N 3Å; A185-R189 WeakPolarHBondContact O-CG 3.4Å; A185-R189 PolarHBondContact O-N 3.43Å; A185-R189 VanDerWaalsContact O-N 3.13Å; A185-R189 PolarHBondContact O-NH1 3.32Å
186	F	92.5	Very high	91.3	Very high	2 Å²	2	74.4 Å²	74.4	1%	0.009	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-47.4	173.1	161.5	-99	0	0	0	111.7	Y158 I161 Y165 R182 A183 E184 H188 R189 Y190	Y158-F186 AromaticContact CD1-CE2 3.91Å; Y158-F186 HydrophobicContact CD1-CE2 3.91Å; Y158-F186 AromaticContact CD1-CZ 4Å; Y158-F186 HydrophobicContact CD1-CZ 4Å; Y158-F186 HydrophobicContact CE1-CE2 4.48Å; I161-F186 HydrophobicContact CB-CE1 4.37Å; I161-F186 HydrophobicContact CB-CE2 4.06Å; I161-F186 HydrophobicContact CB-CZ 3.79Å; I161-F186 HydrophobicContact CD1-CE2 3.87Å; I161-F186 HydrophobicContact CD1-CZ 4.3Å; I161-F186 HydrophobicContact CG2-CD1 4.03Å; I161-F186 HydrophobicContact CG2-CD2 3.8Å; I161-F186 HydrophobicContact CG2-CE1 3.68Å; I161-F186 HydrophobicContact CG2-CE2 3.42Å; I161-F186 VanDerWaalsContact CG2-CE2 3.42Å; I161-F186 HydrophobicContact CG2-CG 4.08Å; I161-F186 HydrophobicContact CG2-CZ 3.36Å; Y165-F186 AromaticContact CD2-CD1 3.99Å; Y165-F186 HydrophobicContact CD2-CD1 3.99Å; Y165-F186 HydrophobicContact CD2-CG 4.32Å; Y165-F186 HydrophobicContact CE2-CB 3.75Å; Y165-F186 AromaticContact CE2-CD1 3.88Å; Y165-F186 HydrophobicContact CE2-CD1 3.88Å; Y165-F186 HydrophobicContact CE2-CD2 4.39Å; Y165-F186 AromaticContact CE2-CG 3.73Å; Y165-F186 HydrophobicContact CE2-CG 3.73Å; R182-F186 PolarHBondContact O-N 3.42Å; A183-F186 WeakPolarHBondContact O-CA 3.36Å; A183-F186 WeakPolarHBondContact O-CB 3.25Å; A183-F186 PolarHBondContact O-N 3.17Å; E184-F186 PolarHBondContact O-N 3.18Å; F186-H188 VanDerWaalsContact C-N 3.29Å; F186-H188 PolarHBondContact O-N 3.46Å; F186-R189 PolarHBondContact O-N 3.31Å; F186-R189 VanDerWaalsContact O-N 3.1Å; F186-Y190 WeakPolarHBondContact O-CB 3.35Å; F186-Y190 PolarHBondContact O-N 3.36Å
187	F	91.1	Very high	90.6	Very high	59 Å²	59	74 Å²	74	26%	0.259	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-41.6	177.4	-71.8	-65.1	0	0	0	111.8	A183 E184 R189 Y190 Q191 L550	A183-F187 HydrophobicContact CB-CE2 4.41Å; A183-F187 WeakPolarHBondContact O-CD2 3.36Å; A183-F187 PolarHBondContact O-N 3.41Å; E184-F187 PolarHBondContact O-N 2.9Å; E184-F187 VanDerWaalsContact O-N 3.11Å; F187-R189 PolarHBondContact O-N 2.65Å; F187-Y190 PolarHBondContact O-N 3.28Å; F187-Q191 WeakPolarHBondContact O-CB 3.38Å; F187-Q191 WeakPolarHBondContact O-CG 3.43Å; F187-Q191 PolarHBondContact O-N 3.26Å; F187-L550 HydrophobicContact CD1-CD2 4.28Å; F187-L550 HydrophobicContact CE1-CD2 4.22Å
188	H	91.8	Very high	89.2	Confident	124 Å²	124	71.2 Å²	71.2	57%	0.574	36%	0.359	S	S	*	.	H	α-helix	trans	-61.3	-42.8	175.1	-174.5	-86.1	0	0	0	112.3	E184 F186 S192	E184-H188 PolarHBondContact O-N 3.2Å; F186-H188 VanDerWaalsContact C-N 3.29Å; F186-H188 PolarHBondContact O-N 3.46Å; H188-S192 VanDerWaalsContact O-CB 3.32Å; H188-S192 WeakPolarHBondContact O-CB 3.39Å; H188-S192 PolarHBondContact O-N 3.24Å; H188-S192 PolarHBondContact O-OG 3.39Å
189	R	91	Very high	87.7	Confident	84 Å²	84	69.8 Å²	69.8	32%	0.317	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-41.5	175.4	-71.9	-167.7	-53.4	-78.6	3.8	111.7	E153 A185 F186 F187 S192 S193	E153-R189 IonicContact OE1-CZ 2.91Å; E153-R189 IonicContact OE1-NE 2.83Å; E153-R189 PolarHBondContact OE1-NE 2.95Å; E153-R189 IonicContact OE1-NH2 3.96Å; E153-R189 PolarHBondContact OE1-NH2 3.21Å; E153-R189 IonicContact OE2-CZ 2.76Å; E153-R189 IonicContact OE2-NE 2.76Å; E153-R189 IonicContact OE2-NH2 3.94Å; E153-R189 PolarHBondContact OE2-NH2 2.92Å; A185-R189 WeakPolarHBondContact O-CG 3.4Å; A185-R189 PolarHBondContact O-N 3.43Å; A185-R189 VanDerWaalsContact O-N 3.13Å; A185-R189 PolarHBondContact O-NH1 3.32Å; F186-R189 PolarHBondContact O-N 3.31Å; F186-R189 VanDerWaalsContact O-N 3.1Å; F187-R189 PolarHBondContact O-N 2.65Å; R189-S192 PolarHBondContact O-N 3.12Å; R189-S193 WeakPolarHBondContact O-CB 3.2Å; R189-S193 PolarHBondContact O-N 3.22Å
190	Y	88.7	Confident	86	Confident	80 Å²	80	74.6 Å²	74.6	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-50	177.4	176.2	-118.5	0	0	0	112.1	Y158 F186 F187 S192 S193 L194	Y158-Y190 AromaticContact CD1-CD2 3.4Å; Y158-Y190 HydrophobicContact CD1-CD2 3.4Å; Y158-Y190 VanDerWaalsContact CD1-CD2 3.4Å; Y158-Y190 AromaticContact CD1-CE2 3.9Å; Y158-Y190 HydrophobicContact CD1-CE2 3.9Å; Y158-Y190 HydrophobicContact CD1-CG 4.29Å; Y158-Y190 AromaticContact CD2-CD2 3.9Å; Y158-Y190 HydrophobicContact CD2-CD2 3.9Å; Y158-Y190 AromaticContact CD2-CE2 3.57Å; Y158-Y190 HydrophobicContact CD2-CE2 3.57Å; Y158-Y190 AromaticContact CE1-CD2 3.78Å; Y158-Y190 HydrophobicContact CE1-CD2 3.78Å; Y158-Y190 HydrophobicContact CE1-CE2 4.44Å; Y158-Y190 HydrophobicContact CE2-CD2 4.23Å; Y158-Y190 HydrophobicContact CE2-CE2 4.14Å; Y158-Y190 AromaticContact CG-CD2 3.47Å; Y158-Y190 HydrophobicContact CG-CD2 3.47Å; Y158-Y190 VanDerWaalsContact CG-CD2 3.47Å; Y158-Y190 AromaticContact CG-CE2 3.42Å; Y158-Y190 HydrophobicContact CG-CE2 3.42Å; Y158-Y190 VanDerWaalsContact CG-CE2 3.42Å; F186-Y190 WeakPolarHBondContact O-CB 3.35Å; F186-Y190 PolarHBondContact O-N 3.36Å; F187-Y190 PolarHBondContact O-N 3.28Å; Y190-S192 VanDerWaalsContact C-N 3.29Å; Y190-S192 PolarHBondContact O-N 3.3Å; Y190-S193 WeakPolarHBondContact O-CB 3.45Å; Y190-S193 PolarHBondContact O-N 3.28Å; Y190-S193 VanDerWaalsContact O-N 3.11Å; Y190-L194 HydrophobicContact CD1-CD1 4.2Å; Y190-L194 HydrophobicContact CE1-CD1 3.69Å; Y190-L194 HydrophobicContact CE1-CG 4.43Å; Y190-L194 HydrophobicContact CE2-CD1 4.26Å; Y190-L194 HydrophobicContact CE2-CD2 4.22Å; Y190-L194 HydrophobicContact CE2-CG 4.15Å; Y190-L194 PolarHBondContact O-N 2.87Å
191	Q	89.2	Confident	84.2	Confident	94 Å²	94	75 Å²	75	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-58.4	-41.3	175.2	-73.3	179.4	-8.8	0	0	112.1	F187 S193 L194 K195	F187-Q191 WeakPolarHBondContact O-CB 3.38Å; F187-Q191 WeakPolarHBondContact O-CG 3.43Å; F187-Q191 PolarHBondContact O-N 3.26Å; Q191-S193 VanDerWaalsContact C-N 3.33Å; Q191-L194 PolarHBondContact O-N 3.16Å; Q191-K195 WeakPolarHBondContact O-CG 3.2Å; Q191-K195 PolarHBondContact O-N 3.33Å
192	S	88.6	Confident	82.1	Confident	45 Å²	45	73.5 Å²	73.5	32%	0.315	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-37.8	176.8	-59.2	0	0	0	0	112.2	H188 R189 Y190 K195 S196	H188-S192 VanDerWaalsContact O-CB 3.32Å; H188-S192 WeakPolarHBondContact O-CB 3.39Å; H188-S192 PolarHBondContact O-N 3.24Å; H188-S192 PolarHBondContact O-OG 3.39Å; R189-S192 PolarHBondContact O-N 3.12Å; Y190-S192 VanDerWaalsContact C-N 3.29Å; Y190-S192 PolarHBondContact O-N 3.3Å; S192-K195 PolarHBondContact O-N 3.38Å; S192-S196 WeakPolarHBondContact O-CB 3.27Å; S192-S196 PolarHBondContact O-N 3.3Å; S192-S196 PolarHBondContact O-OG 3.19Å
193	S	86.3	Confident	79.9	Confident	50 Å²	50	76.1 Å²	76.1	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-40.3	173.5	-172.9	0	0	0	0	112.1	R189 Y190 Q191 S196 A197	R189-S193 WeakPolarHBondContact O-CB 3.2Å; R189-S193 PolarHBondContact O-N 3.22Å; Y190-S193 WeakPolarHBondContact O-CB 3.45Å; Y190-S193 PolarHBondContact O-N 3.28Å; Y190-S193 VanDerWaalsContact O-N 3.11Å; Q191-S193 VanDerWaalsContact C-N 3.33Å; S193-S196 PolarHBondContact O-N 2.61Å; S193-A197 PolarHBondContact O-N 3.37Å
194	L	85.7	Confident	77.7	Confident	82 Å²	82	80.2 Å²	80.2	43%	0.429	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-49.1	174.7	-69.9	175.8	0	0	0	111.1	Y190 Q191 S196 A197 V198	Y190-L194 HydrophobicContact CD1-CD1 4.2Å; Y190-L194 HydrophobicContact CE1-CD1 3.69Å; Y190-L194 HydrophobicContact CE1-CG 4.43Å; Y190-L194 HydrophobicContact CE2-CD1 4.26Å; Y190-L194 HydrophobicContact CE2-CD2 4.22Å; Y190-L194 HydrophobicContact CE2-CG 4.15Å; Y190-L194 PolarHBondContact O-N 2.87Å; Q191-L194 PolarHBondContact O-N 3.16Å; L194-S196 VanDerWaalsContact C-N 3.28Å; L194-S196 PolarHBondContact O-N 3.07Å; L194-A197 PolarHBondContact O-N 3.39Å; L194-V198 VanDerWaalsContact O-CG2 3.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 3.07Å
195	K	84.9	Confident	75.2	Confident	141 Å²	141	78.3 Å²	78.3	61%	0.613	47%	0.465	S	S	*	.	H	α-helix	trans	-57.2	-41.3	177	-72.2	174.6	-177.3	177.6	0	112	Q191 S192 V198 T199	Q191-K195 WeakPolarHBondContact O-CG 3.2Å; Q191-K195 PolarHBondContact O-N 3.33Å; S192-K195 PolarHBondContact O-N 3.38Å; K195-V198 PolarHBondContact O-N 2.82Å; K195-T199 WeakPolarHBondContact O-CG2 3.31Å; K195-T199 PolarHBondContact O-N 3.36Å; K195-T199 PolarHBondContact O-OG1 3.18Å
196	S	80.4	Confident	72.5	Confident	68 Å²	68	83.6 Å²	83.6	48%	0.476	49%	0.488	S	S	.	.	H	α-helix	trans	-70.2	-34	179.3	-56.2	0	0	0	0	113.2	S192 S193 L194 T199 S200	S192-S196 WeakPolarHBondContact O-CB 3.27Å; S192-S196 PolarHBondContact O-N 3.3Å; S192-S196 PolarHBondContact O-OG 3.19Å; S193-S196 PolarHBondContact O-N 2.61Å; L194-S196 VanDerWaalsContact C-N 3.28Å; L194-S196 PolarHBondContact O-N 3.07Å; S196-T199 WeakPolarHBondContact CA-OG1 3.32Å; S196-T199 PolarHBondContact O-OG1 3.34Å; S196-T199 VanDerWaalsContact O-OG1 3.13Å; S196-S200 PolarHBondContact O-N 3.15Å; S196-S200 PolarHBondContact O-OG 3.29Å
197	A	78.7	Confident	70.4	Confident	60 Å²	60	91.2 Å²	91.2	50%	0.496	53%	0.527	S	S	.	.	H	α-helix	trans	-67.8	-43.2	173.2	0	0	0	0	0	110.8	S193 L194 S200 S201	S193-A197 PolarHBondContact O-N 3.37Å; L194-A197 PolarHBondContact O-N 3.39Å; A197-S200 PolarHBondContact O-N 2.75Å; A197-S201 PolarHBondContact O-N 3.42Å; A197-S201 PolarHBondContact O-OG 2.88Å
198	V	66.5	Low	68	Low	78 Å²	78	93.8 Å²	93.8	47%	0.473	55%	0.548	S	S	.	.	H	α-helix	trans	-64.9	-45.9	176.9	174	0	0	0	0	110.5	L194 K195 S200 S201 S202	L194-V198 VanDerWaalsContact O-CG2 3.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 3.07Å; K195-V198 PolarHBondContact O-N 2.82Å; V198-S200 PolarHBondContact O-N 2.9Å; V198-S201 WeakPolarHBondContact CA-OG 3.36Å; V198-S201 CarbonylContact O-C 3.55Å; V198-S201 PolarHBondContact O-N 2.64Å; V198-S201 PolarHBondContact O-OG 3.04Å; V198-S202 WeakPolarHBondContact CG1-OG 3.23Å; V198-S202 WeakPolarHBondContact O-CA 3.29Å; V198-S202 WeakPolarHBondContact O-CB 3.42Å; V198-S202 PolarHBondContact O-N 3.1Å; V198-S202 PolarHBondContact O-OG 2.98Å
199	T	62.6	Low	65.4	Low	103 Å²	103	94.8 Å²	94.8	63%	0.632	56%	0.557	S	S	*	*	H	α-helix	trans	-63.9	-27	178.1	50.9	0	0	0	0	113.5	K195 S196 S201	K195-T199 WeakPolarHBondContact O-CG2 3.31Å; K195-T199 PolarHBondContact O-N 3.36Å; K195-T199 PolarHBondContact O-OG1 3.18Å; S196-T199 WeakPolarHBondContact CA-OG1 3.32Å; S196-T199 PolarHBondContact O-OG1 3.34Å; S196-T199 VanDerWaalsContact O-OG1 3.13Å; T199-S201 VanDerWaalsContact C-N 3.34Å
200	S	59.3	Low	63	Low	102 Å²	102	97 Å²	97	71%	0.713	58%	0.58	S	S	*	*	H	α-helix	trans	-73.7	-25.4	173.4	-54.9	0	0	0	0	112.9	S196 A197 V198	S196-S200 PolarHBondContact O-N 3.15Å; S196-S200 PolarHBondContact O-OG 3.29Å; A197-S200 PolarHBondContact O-N 2.75Å; V198-S200 PolarHBondContact O-N 2.9Å
201	S	57.9	Low	60.8	Low	80 Å²	80	102.3 Å²	102.3	56%	0.559	61%	0.605	S	S	*	*	H	α-helix	trans	-100.9	-17.9	177.7	62.9	0	0	0	0	114.3	A197 V198 T199	A197-S201 PolarHBondContact O-N 3.42Å; A197-S201 PolarHBondContact O-OG 2.88Å; V198-S201 WeakPolarHBondContact CA-OG 3.36Å; V198-S201 CarbonylContact O-C 3.55Å; V198-S201 PolarHBondContact O-N 2.64Å; V198-S201 PolarHBondContact O-OG 3.04Å; T199-S201 VanDerWaalsContact C-N 3.34Å
202	S	52	Low	58.4	Low	55 Å²	55	104.4 Å²	104.4	39%	0.385	62%	0.624	S	S	.	*			trans	-111.2	19.1	-162.9	-44.3	0	0	0	0	114.6	V198 S204	V198-S202 WeakPolarHBondContact CG1-OG 3.23Å; V198-S202 WeakPolarHBondContact O-CA 3.29Å; V198-S202 WeakPolarHBondContact O-CB 3.42Å; V198-S202 PolarHBondContact O-N 3.1Å; V198-S202 PolarHBondContact O-OG 2.98Å; S202-S204 PolarHBondContact O-N 3.27Å; S202-S204 VanDerWaalsContact O-N 3.1Å
203	S	49	Very low	56.4	Low	121 Å²	121	112.2 Å²	112.2	85%	0.846	65%	0.648	S	S	*	*	S	Bend	trans	-63	3.6	150.3	36.9	0	0	0	0	112.5
204	S	46.3	Very low	54.1	Low	88 Å²	88	117.1 Å²	117.1	62%	0.615	67%	0.67	S	S	*	*	S	Bend	trans	-122.1	85.4	168	175.7	0	0	0	0	110.8	S202	S202-S204 PolarHBondContact O-N 3.27Å; S202-S204 VanDerWaalsContact O-N 3.1Å
205	S	42.1	Very low	51.9	Low	94 Å²	94	119.9 Å²	119.9	66%	0.657	69%	0.686	S	S	*	*			trans	45.5	114.5	154.8	65.2	0	0	0	0	120.6
206	D	37.8	Very low	49.9	Very low	146 Å²	146	119.1 Å²	119.1	78%	0.781	70%	0.695	S	S	*	*			trans	20.2	116	136.4	-54.3	-33.3	0	0	0	118.1
207	I	47.7	Very low	48	Very low	161 Å²	161	120 Å²	120	83%	0.826	70%	0.701	S	S	*	*			trans	161.9	117.2	130.5	-79.7	153.4	0	0	0	110.3
208	V	42.5	Very low	46.4	Very low	114 Å²	114	125.1 Å²	125.1	69%	0.691	72%	0.72	S	S	*	*			trans	17	130.8	138.6	-153.8	0	0	0	0	118.6
209	D	36.3	Very low	45.5	Very low	145 Å²	145	127.9 Å²	127.9	78%	0.775	73%	0.728	S	S	*	*			trans	52	110	159.2	-77.9	-24	0	0	0	117.1
210	T	41.4	Very low	44.8	Very low	131 Å²	131	128.9 Å²	128.9	80%	0.804	73%	0.73	S	S	*	*			trans	-174.9	127.3	134.5	-77.2	0	0	0	0	110.7	V212	T210-V212 PolarHBondContact O-N 3.13Å
211	F	41.5	Very low	44.6	Very low	190 Å²	190	130.2 Å²	130.2	83%	0.833	74%	0.736	S	S	*	*			trans	-41	121.3	165.6	-63.1	-91.1	0	0	0	112.2	Y213	F211-Y213 VanDerWaalsContact C-N 3.32Å; F211-Y213 PolarHBondContact O-N 3.06Å
212	V	39.8	Very low	44.5	Very low	139 Å²	139	133.9 Å²	133.9	84%	0.842	75%	0.749	S	S	*	*			trans	-68.9	91.6	174.4	-179.6	0	0	0	0	108.7	T210	T210-V212 PolarHBondContact O-N 3.13Å
213	Y	44.8	Very low	44.6	Very low	209 Å²	209	138 Å²	138	82%	0.82	76%	0.763	S	S	*	*			trans	-75	123.9	149.8	-96.5	-88.6	0	0	0	107.4	F211 N215	F211-Y213 VanDerWaalsContact C-N 3.32Å; F211-Y213 PolarHBondContact O-N 3.06Å; Y213-N215 PolarHBondContact O-N 3.23Å
214	D	38.8	Very low	45.3	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	75%	0.754	S	S	*	*			trans	-47	109.8	168.3	-77.3	-38.1	0	0	0	109.6	P216	D214-P216 VanDerWaalsContact O-CD 3.26Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å
215	N	40.4	Very low	46.5	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	74%	0.74	S	S	*	*			trans	-100.8	99.9	170.2	-121.4	-15.6	0	0	0	107.5	Y213 S217	Y213-N215 PolarHBondContact O-N 3.23Å; N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.31Å; N215-S217 VanDerWaalsContact O-N 3.08Å
216	P	42.1	Very low	47.8	Very low	125 Å²	125	143 Å²	143	81%	0.812	75%	0.75	S	S	*	*			trans	-84.9	71.2	177.2	35.2	-33.2	0	0	0	109	D214	D214-P216 VanDerWaalsContact O-CD 3.26Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å
217	S	41	Very low	49.2	Very low	87 Å²	87	141 Å²	141	61%	0.608	73%	0.734	S	S	*	*			trans	-152.7	43.5	-179.6	63.6	0	0	0	0	114.2	N215	N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.31Å; N215-S217 VanDerWaalsContact O-N 3.08Å
218	N	44.9	Very low	50.3	Low	167 Å²	167	142.8 Å²	142.8	89%	0.893	74%	0.736	S	S	*	*			trans	-141.6	56.9	163.9	-127.2	-1.4	0	0	0	110.3
219	E	46.2	Very low	51.6	Low	137 Å²	137	145.7 Å²	145.7	64%	0.64	75%	0.747	S	S	*	*			trans	-85.7	111.4	169.3	-69.4	-162.8	147.6	0	0	109	P221 T225	E219-P221 WeakPolarHBondContact O-CD 3.1Å; E219-T225 PolarHBondContact OE1-OG1 3.47Å
220	N	49.5	Very low	52.9	Low	124 Å²	124	140 Å²	140	66%	0.663	72%	0.72	S	S	*	*			trans	-57	121.9	162.4	-87.4	-43	0	0	0	108.3	N222 E223	N220-N222 PolarHBondContact O-N 3.26Å; N220-E223 PolarHBondContact O-N 3.27Å
221	P	54.6	Low	53.7	Low	129 Å²	129	135.7 Å²	135.7	84%	0.838	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	5	-173.6	24.2	-32.6	0	0	0	115.1	E219	E219-P221 WeakPolarHBondContact O-CD 3.1Å
222	N	55.6	Low	54.3	Low	158 Å²	158	131 Å²	131	85%	0.845	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-0.7	-177.8	-85.2	-13.4	0	0	0	115	N220	N220-N222 PolarHBondContact O-N 3.26Å
223	E	55.1	Low	55	Low	142 Å²	142	132.7 Å²	132.7	66%	0.664	67%	0.669	S	S	*	*	S	Bend	trans	-98.6	130.6	172.3	-75.8	-172.9	162.5	0	0	111.2	N220 T225	N220-E223 PolarHBondContact O-N 3.27Å; E223-T225 HydrophobicContact CB-CG2 4.33Å; E223-T225 PolarHBondContact O-N 2.94Å
224	N	63.4	Low	55.3	Low	123 Å²	123	127.7 Å²	127.7	66%	0.658	66%	0.657	S	S	*	*			trans	-73.3	65.7	179.9	-79.1	-24	0	0	0	111.5	W255	N224-W255 HydrophobicContact CB-CH2 3.73Å; N224-W255 HydrophobicContact CB-CZ3 3.47Å; N224-W255 VanDerWaalsContact CB-CZ3 3.47Å; N224-W255 VanDerWaalsContact CG-CZ3 3.47Å; N224-W255 WeakPolarHBondContact OD1-CZ3 3.46Å
225	T	71.4	Confident	56	Low	52 Å²	52	126.2 Å²	126.2	32%	0.319	65%	0.647	S	S	.	*			trans	-75.1	141.4	177.4	62.6	0	0	0	0	111	E219 E223 K227 W255	E219-T225 PolarHBondContact OE1-OG1 3.47Å; E223-T225 HydrophobicContact CB-CG2 4.33Å; E223-T225 PolarHBondContact O-N 2.94Å; T225-K227 PolarHBondContact O-N 3.41Å; T225-W255 WeakPolarHBondContact O-CZ2 3.08Å
226	R	68.3	Low	56.4	Low	231 Å²	231	128.6 Å²	128.6	87%	0.872	65%	0.654	S	S	*	*			trans	-66	106.3	179.7	-180	-177.1	179.3	172	0.4	110.2	K228	R226-K228 PolarHBondContact O-N 2.8Å
227	K	67.7	Low	56.6	Low	105 Å²	105	129.1 Å²	129.1	46%	0.457	66%	0.655	S	S	.	*			trans	-72.1	123	170.7	-66.1	-178.8	178.3	174.5	0	111	T225 A230 S257	T225-K227 PolarHBondContact O-N 3.41Å; K227-A230 HydrophobicContact CB-CB 4.03Å; K227-S257 PolarHBondContact NZ-O 3.01Å; K227-S257 VanDerWaalsContact NZ-O 3.08Å
228	K	71.4	Confident	56.9	Low	198 Å²	198	127.9 Å²	127.9	86%	0.861	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	138.4	175.1	-70.3	-179.6	-178.4	174.3	0	110	R226 A230	R226-K228 PolarHBondContact O-N 2.8Å; K228-A230 PolarHBondContact O-N 3.43Å; K228-A230 VanDerWaalsContact O-N 3.11Å
229	L	68.9	Low	56.9	Low	176 Å²	176	126.3 Å²	126.3	92%	0.921	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.7	18	177.1	-54.7	175.4	0	0	0	116.1	S231	L229-S231 PolarHBondContact O-N 2.96Å
230	A	64.4	Low	56.8	Low	26 Å²	26	128.8 Å²	128.8	22%	0.215	66%	0.664	C	S	.	*	P	Polyproline II helix	trans	-62.8	135.2	174.9	0	0	0	0	0	111.1	K227 K228 L232	K227-A230 HydrophobicContact CB-CB 4.03Å; K228-A230 PolarHBondContact O-N 3.43Å; K228-A230 VanDerWaalsContact O-N 3.11Å; A230-L232 PolarHBondContact O-N 3.23Å
231	S	58	Low	56.5	Low	40 Å²	40	131.9 Å²	131.9	28%	0.28	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-62.8	127.9	-179	58.9	0	0	0	0	111.8	L229 Q259 G261	L229-S231 PolarHBondContact O-N 2.96Å; S231-Q259 PolarHBondContact O-OE1 3.07Å; S231-G261 WeakPolarHBondContact OG-CA 3.47Å; S231-G261 PolarHBondContact OG-N 2.83Å
232	L	53.4	Low	55.7	Low	90 Å²	90	134 Å²	134	47%	0.471	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-100.6	120.4	172.1	-58.2	172	0	0	0	107.9	A230	A230-L232 PolarHBondContact O-N 3.23Å
233	R	55.6	Low	55.2	Low	175 Å²	175	135.7 Å²	135.7	66%	0.66	68%	0.679	S	S	*	*			trans	124	142.4	173.2	-70.5	163.7	-166.5	-165.1	7.2	111.4
234	L	51.4	Low	54.4	Low	105 Å²	105	137.8 Å²	137.8	55%	0.55	69%	0.693	S	S	.	*			cis	-147.4	150	-14.4	-131.5	93.4	0	0	0	105.5	E236 P247	L234-E236 PolarHBondContact O-N 2.94Å; L234-P247 HydrophobicContact CD1-CB 4.02Å; L234-P247 HydrophobicContact CD1-CG 3.31Å; L234-P247 HydrophobicContact CD2-CB 4.41Å; L234-P247 HydrophobicContact CD2-CG 3.94Å; L234-P247 HydrophobicContact CG-CG 4.24Å
235	I	52.4	Low	53.5	Low	121 Å²	121	137.9 Å²	137.9	62%	0.621	70%	0.698	S	S	*	*			trans	-76.8	122.9	177.3	-61.5	166.6	0	0	0	108.6	T237	I235-T237 PolarHBondContact O-N 3.18Å
236	E	48	Very low	52.1	Low	190 Å²	190	139.5 Å²	139.5	89%	0.888	72%	0.717	S	S	*	*			trans	-67	114.4	164.8	-77.3	-179.9	163.3	0	0	109	L234	L234-E236 PolarHBondContact O-N 2.94Å
237	T	46.9	Very low	51.2	Low	135 Å²	135	130.6 Å²	130.6	83%	0.828	69%	0.689	S	S	*	*			trans	-73.7	128.8	163	48.5	0	0	0	0	108.2	I235	I235-T237 PolarHBondContact O-N 3.18Å
238	G	48	Very low	50.7	Low	61 Å²	61	134.1 Å²	134.1	63%	0.629	71%	0.711	S	S	*	*	S	Bend	trans	-56.6	154.7	-170.8	0	0	0	0	0	115.7
239	T	45	Very low	50	Low	135 Å²	135	129.9 Å²	129.9	83%	0.828	70%	0.696	S	S	*	*	S	Bend	trans	62.8	103.4	155.9	54.8	0	0	0	0	117.3
240	Q	44.2	Very low	49.4	Very low	189 Å²	189	133.2 Å²	133.2	88%	0.883	70%	0.696	S	S	*	*	S	Bend	trans	85.2	124.6	152.2	-58.7	-175.9	-15.7	0	0	117.2
241	E	42.6	Very low	49.1	Very low	188 Å²	188	134.9 Å²	134.9	88%	0.879	70%	0.703	S	S	*	*			trans	91.5	104.2	165.9	-55.3	-164.5	163.3	0	0	118.8	K243	E241-K243 PolarHBondContact O-N 3.3Å; E241-K243 VanDerWaalsContact O-N 3.11Å
242	N	39	Very low	49.2	Very low	173 Å²	173	141.3 Å²	141.3	93%	0.925	73%	0.726	S	S	*	*			trans	-51.9	100.5	171.3	-68.3	-33.2	0	0	0	113.3
243	K	43.6	Very low	49.5	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	74%	0.739	S	S	*	*			trans	-146.3	94.5	156.8	-112.4	174.3	-177.3	173.8	0	110.5	E241 V245	E241-K243 PolarHBondContact O-N 3.3Å; E241-K243 VanDerWaalsContact O-N 3.11Å; K243-V245 PolarHBondContact O-N 2.89Å
244	L	39.5	Very low	49.5	Very low	186 Å²	186	142.7 Å²	142.7	97%	0.974	74%	0.739	S	S	*	*			trans	-74.7	111.6	171.8	-68	165.4	0	0	0	109.2
245	V	43.3	Very low	49.4	Very low	126 Å²	126	141.5 Å²	141.5	76%	0.764	73%	0.728	S	S	*	*			trans	-116.8	125.9	166.7	177.7	0	0	0	0	107.7	K243	K243-V245 PolarHBondContact O-N 2.89Å
246	A	43.5	Very low	49.5	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	73%	0.726	S	S	*	*			trans	-64.7	125.2	-177.5	0	0	0	0	0	111.5	I248	A246-I248 PolarHBondContact O-N 3.33Å
247	P	49.1	Very low	49.9	Very low	45 Å²	45	136.9 Å²	136.9	29%	0.292	70%	0.703	S	S	.	*			trans	-81.2	118.5	-177.5	21.7	-19.9	0	0	0	112.2	L234 M249	L234-P247 HydrophobicContact CD1-CB 4.02Å; L234-P247 HydrophobicContact CD1-CG 3.31Å; L234-P247 HydrophobicContact CD2-CB 4.41Å; L234-P247 HydrophobicContact CD2-CG 3.94Å; L234-P247 HydrophobicContact CG-CG 4.24Å; P247-M249 HydrophobicContact CB-CB 4.1Å; P247-M249 HydrophobicContact CB-CG 3.6Å; P247-M249 PolarHBondContact O-N 3.47Å
248	I	56.6	Low	50.3	Low	179 Å²	179	136.7 Å²	136.7	92%	0.918	70%	0.697	S	S	*	*			trans	-68.5	60.4	162.1	-52.7	165.3	0	0	0	108.4	A246	A246-I248 PolarHBondContact O-N 3.33Å
249	M	55.9	Low	50.6	Low	109 Å²	109	136.2 Å²	136.2	54%	0.537	68%	0.679	S	S	.	*			trans	-113.3	110.6	-171.3	-75.7	-91.3	-74.7	0	0	111.3	P247 T251	P247-M249 HydrophobicContact CB-CB 4.1Å; P247-M249 HydrophobicContact CB-CG 3.6Å; P247-M249 PolarHBondContact O-N 3.47Å; M249-T251 PolarHBondContact O-N 3.41Å
250	R	58	Low	51.1	Low	246 Å²	246	135.5 Å²	135.5	93%	0.928	68%	0.679	S	S	*	*			trans	-66.1	95.6	160.9	-75.8	-175.8	171.1	93.8	-2.1	108.2	K252	R250-K252 PolarHBondContact O-N 3.15Å
251	T	56.4	Low	51.6	Low	60 Å²	60	128.2 Å²	128.2	37%	0.368	66%	0.655	S	S	.	*			trans	-76.5	76.4	173.8	46.9	0	0	0	0	109.4	M249	M249-T251 PolarHBondContact O-N 3.41Å
252	K	61.8	Low	52.1	Low	176 Å²	176	126.3 Å²	126.3	77%	0.765	65%	0.65	S	S	*	*			trans	-63.5	-48.6	-173	-157.4	-170.3	173.4	-128.5	0	112.3	R250	R250-K252 PolarHBondContact O-N 3.15Å
253	E	59	Low	52.9	Low	158 Å²	158	121.1 Å²	121.1	74%	0.738	64%	0.638	S	S	*	*	S	Bend	trans	-142.2	16.9	-164.3	-66.8	177	-152.8	0	0	115.1
254	M	55.1	Low	53.3	Low	135 Å²	135	117.3 Å²	117.3	67%	0.665	63%	0.631	S	S	*	*			trans	-104.6	100.1	-177.3	-91.4	167.8	56.8	0	0	113.3
255	W	50.5	Low	53.9	Low	80 Å²	80	114.3 Å²	114.3	30%	0.303	62%	0.615	S	S	.	*			trans	-109.6	142.9	164.7	174.1	91.9	0	0	0	109.8	N224 T225 S257	N224-W255 HydrophobicContact CB-CH2 3.73Å; N224-W255 HydrophobicContact CB-CZ3 3.47Å; N224-W255 VanDerWaalsContact CB-CZ3 3.47Å; N224-W255 VanDerWaalsContact CG-CZ3 3.47Å; N224-W255 WeakPolarHBondContact OD1-CZ3 3.46Å; T225-W255 WeakPolarHBondContact O-CZ2 3.08Å; W255-S257 VanDerWaalsContact CH2-CA 3.49Å
256	R	54.4	Low	54.5	Low	155 Å²	155	117.6 Å²	117.6	59%	0.585	62%	0.615	S	S	*	*			trans	-133.3	141.6	169.7	-62.3	-113.9	-164.5	-123.9	5.4	109.3	N258 Q259	R256-N258 WeakPolarHBondContact CB-OD1 3.26Å; R256-N258 PolarHBondContact O-N 3.21Å; R256-Q259 HydrophobicContact CB-CG 4.27Å; R256-Q259 VanDerWaalsContact O-CG 3.31Å; R256-Q259 WeakPolarHBondContact O-CG 3.27Å
257	S	55.9	Low	54.9	Low	59 Å²	59	119 Å²	119	41%	0.413	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-19.1	-173.2	50	0	0	0	0	115.6	K227 W255	K227-S257 PolarHBondContact NZ-O 3.01Å; K227-S257 VanDerWaalsContact NZ-O 3.08Å; W255-S257 VanDerWaalsContact CH2-CA 3.49Å
258	N	54.6	Low	55.1	Low	132 Å²	132	121.9 Å²	121.9	71%	0.706	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	15.7	-175.2	63	-19.4	0	0	0	114.7	R256	R256-N258 WeakPolarHBondContact CB-OD1 3.26Å; R256-N258 PolarHBondContact O-N 3.21Å
259	Q	55.5	Low	54.6	Low	50 Å²	50	122.8 Å²	122.8	23%	0.234	64%	0.638	C	S	.	*			trans	-86.8	114.9	-176.7	-67.2	173.5	-2.6	0	0	111.5	S231 R256	S231-Q259 PolarHBondContact O-OE1 3.07Å; R256-Q259 HydrophobicContact CB-CG 4.27Å; R256-Q259 VanDerWaalsContact O-CG 3.31Å; R256-Q259 WeakPolarHBondContact O-CG 3.27Å
260	S	54.6	Low	54.5	Low	120 Å²	120	123.5 Å²	123.5	84%	0.839	65%	0.649	S	S	*	*			trans	-111.6	125.9	170	-69.8	0	0	0	0	109.4
261	G	54.2	Low	54.2	Low	37 Å²	37	117.9 Å²	117.9	38%	0.381	64%	0.636	S	S	.	*			trans	-162.8	109	172.2	0	0	0	0	0	113.8	S231	S231-G261 WeakPolarHBondContact OG-CA 3.47Å; S231-G261 PolarHBondContact OG-N 2.83Å
262	L	53.3	Low	53.9	Low	147 Å²	147	121.5 Å²	121.5	77%	0.77	66%	0.664	S	S	*	*				-157.9	117.6	116.9	-133.3	115.3	0	0	0	105.3	I265	L262-I265 HydrophobicContact CD2-CD1 3.43Å; L262-I265 VanDerWaalsContact CD2-CD1 3.43Å; L262-I265 HydrophobicContact CD2-CG1 3.94Å
263	G	55.4	Low	53.5	Low	65 Å²	65	117.3 Å²	117.3	67%	0.67	66%	0.656	S	S	*	*			trans	-68	159.3	175	0	0	0	0	0	111.4	I265	G263-I265 PolarHBondContact O-N 2.76Å
264	T	53	Low	53.3	Low	113 Å²	113	115.3 Å²	115.3	69%	0.693	65%	0.651	S	S	*	*			trans	-47.9	106.1	-172.3	-44.6	0	0	0	0	113	Y266	T264-Y266 HydrophobicContact CG2-CD2 4.04Å; T264-Y266 HydrophobicContact CG2-CE1 4.16Å; T264-Y266 HydrophobicContact CG2-CE2 3.65Å; T264-Y266 HydrophobicContact CG2-CG 4.46Å; T264-Y266 PolarHBondContact O-N 3.49Å
265	I	51.4	Low	53.4	Low	124 Å²	124	119 Å²	119	64%	0.636	66%	0.663	S	S	*	*			trans	-77.8	113.8	160.5	-61.9	172.4	0	0	0	106	L262 G263 P267	L262-I265 HydrophobicContact CD2-CD1 3.43Å; L262-I265 VanDerWaalsContact CD2-CD1 3.43Å; L262-I265 HydrophobicContact CD2-CG1 3.94Å; G263-I265 PolarHBondContact O-N 2.76Å; I265-P267 VanDerWaalsContact O-CD 3.31Å; I265-P267 WeakPolarHBondContact O-CD 3.45Å
266	Y	56.5	Low	53.6	Low	194 Å²	194	120 Å²	120	76%	0.761	68%	0.681	S	S	*	*			trans	-83.9	109.8	158.9	-67.5	-82.4	0	0	0	106.7	T264 S268	T264-Y266 HydrophobicContact CG2-CD2 4.04Å; T264-Y266 HydrophobicContact CG2-CE1 4.16Å; T264-Y266 HydrophobicContact CG2-CE2 3.65Å; T264-Y266 HydrophobicContact CG2-CG 4.46Å; T264-Y266 PolarHBondContact O-N 3.49Å; Y266-S268 PolarHBondContact O-N 3.29Å
267	P	52.6	Low	54	Low	115 Å²	115	118 Å²	118	75%	0.747	68%	0.682	S	S	*	*			trans	-66.5	110.8	173.7	25.5	-28	0	0	0	107.8	I265 E269	I265-P267 VanDerWaalsContact O-CD 3.31Å; I265-P267 WeakPolarHBondContact O-CD 3.45Å; P267-E269 PolarHBondContact O-N 3.41Å
268	S	51.8	Low	54.7	Low	105 Å²	105	125.5 Å²	125.5	73%	0.734	70%	0.703	S	S	*	*			trans	-57.9	134.1	164.8	-84.7	0	0	0	0	109.5	Y266 T270	Y266-S268 PolarHBondContact O-N 3.29Å; S268-T270 PolarHBondContact O-N 3.14Å; S268-T270 PolarHBondContact O-OG1 2.9Å
269	E	47.5	Very low	55.7	Low	199 Å²	199	128.1 Å²	128.1	93%	0.93	71%	0.711	S	S	*	*			trans	-33.3	101.9	170.8	-64.1	173.8	158.8	0	0	113.1	P267	P267-E269 PolarHBondContact O-N 3.41Å
270	T	53.8	Low	56.6	Low	123 Å²	123	133.3 Å²	133.3	76%	0.755	74%	0.738	S	S	*	*			trans	-150.4	121	166.9	33	0	0	0	0	104.1	S268	S268-T270 PolarHBondContact O-N 3.14Å; S268-T270 PolarHBondContact O-OG1 2.9Å
271	I	50.3	Low	57.7	Low	129 Å²	129	135.6 Å²	135.6	66%	0.662	73%	0.733	S	S	*	*			cis	-152.2	110.8	27.8	-60.4	177.3	0	0	0	108.2	S273	I271-S273 PolarHBondContact O-N 3.08Å
272	S	50	Low	58.5	Low	136 Å²	136	141.8 Å²	141.8	95%	0.951	75%	0.752	S	S	*	*			trans	-82.3	72.7	166.2	-73.3	0	0	0	0	110.4
273	S	53.6	Low	59.3	Low	87 Å²	87	138.4 Å²	138.4	61%	0.608	74%	0.735	S	S	*	*			trans	-169.9	55.2	163.7	68.1	0	0	0	0	114.5	I271 K275	I271-S273 PolarHBondContact O-N 3.08Å; S273-K275 VanDerWaalsContact C-N 3.29Å; S273-K275 PolarHBondContact O-N 3.11Å; S273-K275 VanDerWaalsContact O-N 3.08Å
274	N	54.6	Low	59.6	Low	116 Å²	116	143.3 Å²	143.3	62%	0.62	74%	0.738	S	S	*	*			trans	-85.2	73.9	168.1	-82.7	14.3	0	0	0	110.8	C276 N277	N274-C276 VanDerWaalsContact C-N 3.26Å; N274-C276 PolarHBondContact O-N 3.36Å; N274-N277 VanDerWaalsContact CB-OD1 3.29Å; N274-N277 WeakPolarHBondContact CB-OD1 3.43Å; N274-N277 PolarHBondContact ND2-OD1 3.29Å
275	K	58.8	Low	59.7	Low	214 Å²	214	145.2 Å²	145.2	93%	0.93	74%	0.743	S	S	*	*	S	Bend	trans	-83.8	6.7	175.4	-109.6	-178.3	179.7	-179.8	0	114.1	S273	S273-K275 VanDerWaalsContact C-N 3.29Å; S273-K275 PolarHBondContact O-N 3.11Å; S273-K275 VanDerWaalsContact O-N 3.08Å
276	C	54.3	Low	59.5	Low	99 Å²	99	144.9 Å²	144.9	67%	0.669	75%	0.747	S	S	*	*	S	Bend	trans	-154.3	91.8	170.4	-145.2	0	0	0	0	109.4	N274	N274-C276 VanDerWaalsContact C-N 3.26Å; N274-C276 PolarHBondContact O-N 3.36Å
277	N	62	Low	59.2	Low	114 Å²	114	143 Å²	143	61%	0.61	75%	0.745	S	S	*	*			trans	-92	108	177.3	-80.7	-32.1	0	0	0	109.7	N274	N274-N277 VanDerWaalsContact CB-OD1 3.29Å; N274-N277 WeakPolarHBondContact CB-OD1 3.43Å; N274-N277 PolarHBondContact ND2-OD1 3.29Å
278	Y	70.2	Confident	59.2	Low	216 Å²	216	146 Å²	146	85%	0.847	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-79.8	119.2	156.6	-65.7	-81.5	0	0	0	107.7
279	Q	76.1	Confident	59	Low	188 Å²	188	147.8 Å²	147.8	88%	0.879	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-79.4	130.2	172.1	-73.8	-179.9	-6.6	0	0	109.3	K281	Q279-K281 PolarHBondContact O-N 3.39Å
280	I	75.2	Confident	59.2	Low	159 Å²	159	140.3 Å²	140.3	82%	0.815	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-61.7	127	172.9	-60	170.6	0	0	0	107.6	Q282	I280-Q282 PolarHBondContact O-N 3.38Å
281	K	76.4	Confident	59.1	Low	168 Å²	168	136.5 Å²	136.5	73%	0.73	70%	0.697	S	S	*	*			trans	-59.7	110.1	178.1	-170.6	-175	-177.3	-131	0	109.4	Q279 D283	Q279-K281 PolarHBondContact O-N 3.39Å; K281-D283 WeakPolarHBondContact CE-OD1 3.44Å; K281-D283 IonicContact NZ-OD1 2.77Å; K281-D283 PolarHBondContact NZ-OD1 2.93Å; K281-D283 PolarHBondContact O-N 2.75Å
282	Q	71	Confident	59.2	Low	166 Å²	166	134 Å²	134	78%	0.776	68%	0.684	S	S	*	*			trans	-78.7	101.5	167.5	-74.4	-178.7	-14.5	0	0	108	I280 K284	I280-Q282 PolarHBondContact O-N 3.38Å; Q282-K284 VanDerWaalsContact C-N 3.33Å; Q282-K284 PolarHBondContact O-N 2.78Å
283	D	70.1	Confident	59.3	Low	76 Å²	76	132.1 Å²	132.1	41%	0.406	66%	0.662	S	S	.	*			trans	-67.7	94.3	168.6	-88.8	-2.1	0	0	0	108.4	K281 L285 R294	K281-D283 WeakPolarHBondContact CE-OD1 3.44Å; K281-D283 IonicContact NZ-OD1 2.77Å; K281-D283 PolarHBondContact NZ-OD1 2.93Å; K281-D283 PolarHBondContact O-N 2.75Å; D283-L285 PolarHBondContact O-N 2.92Å; D283-R294 IonicContact OD2-CZ 3.37Å; D283-R294 VanDerWaalsContact OD2-CZ 3.24Å; D283-R294 IonicContact OD2-NH1 3.93Å; D283-R294 PolarHBondContact OD2-NH1 3.48Å; D283-R294 IonicContact OD2-NH2 3.8Å; D283-R294 PolarHBondContact OD2-NH2 3.12Å
284	K	63.1	Low	59.6	Low	169 Å²	169	135.2 Å²	135.2	74%	0.735	66%	0.661	S	S	*	*			trans	-66.2	125.5	165.8	-70.9	-176.1	178.9	-178	0	107.6	Q282 T286	Q282-K284 VanDerWaalsContact C-N 3.33Å; Q282-K284 PolarHBondContact O-N 2.78Å; K284-T286 PolarHBondContact O-N 3.01Å; K284-T286 PolarHBondContact O-OG1 3.44Å
285	L	54.4	Low	60.3	Low	152 Å²	152	132 Å²	132	80%	0.796	64%	0.643	S	S	*	*			trans	-66.3	72.7	-176	-156.3	88.4	0	0	0	111.1	D283	D283-L285 PolarHBondContact O-N 2.92Å
286	T	46.4	Very low	61	Low	118 Å²	118	122.8 Å²	122.8	72%	0.724	60%	0.604	S	S	*	*			trans	-107.2	86.5	175.5	50.4	0	0	0	0	109.5	K284	K284-T286 PolarHBondContact O-N 3.01Å; K284-T286 PolarHBondContact O-OG1 3.44Å
287	Q	50.9	Low	62.1	Low	153 Å²	153	119.2 Å²	119.2	72%	0.715	58%	0.58	S	S	*	*			trans	160.1	108.3	150.7	-91	167.2	7.7	0	0	108.5	N289 S290	Q287-N289 PolarHBondContact O-N 3.25Å; Q287-S290 WeakPolarHBondContact O-CB 3.34Å; Q287-S290 PolarHBondContact O-N 3.49Å
288	E	53	Low	62.7	Low	179 Å²	179	118.1 Å²	118.1	84%	0.836	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-24.4	-174.3	-69	172.4	158.7	0	0	113.5
289	N	48.4	Very low	62.8	Low	142 Å²	142	112.3 Å²	112.3	76%	0.759	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-5.6	-179.8	-66.2	-17.8	0	0	0	114.7	Q287	Q287-N289 PolarHBondContact O-N 3.25Å
290	S	51.3	Low	62.4	Low	42 Å²	42	105 Å²	105	29%	0.294	53%	0.53	S	S	.	.	S	Bend	trans	-86	-17.2	-177	-166.3	0	0	0	0	113.5	Q287 L292 I293 R294	Q287-S290 WeakPolarHBondContact O-CB 3.34Å; Q287-S290 PolarHBondContact O-N 3.49Å; S290-L292 PolarHBondContact O-N 2.93Å; S290-I293 PolarHBondContact O-N 3.31Å; S290-R294 PolarHBondContact O-N 3.15Å; S290-R294 VanDerWaalsContact O-N 3.1Å
291	V	51.6	Low	61.7	Low	44 Å²	44	103 Å²	103	27%	0.267	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-42.6	-169.1	-176.4	0	0	0	0	112.1	R159	R159-V291 VanDerWaalsContact NH2-CG1 3.26Å
292	L	52.4	Low	60.8	Low	75 Å²	75	100.6 Å²	100.6	39%	0.393	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-32	179.2	-63.8	179.6	0	0	0	112.5	S163 S290	S163-L292 WeakPolarHBondContact CB-O 3.21Å; S163-L292 WeakPolarHBondContact OG-CA 3.41Å; S163-L292 PolarHBondContact OG-O 3.26Å; S290-L292 PolarHBondContact O-N 2.93Å
293	I	52.4	Low	59.9	Low	97 Å²	97	97.2 Å²	97.2	50%	0.497	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-75.8	-32.3	-176.1	-59.1	176.8	0	0	0	111.3	S290 D295 L296	S290-I293 PolarHBondContact O-N 3.31Å; I293-D295 PolarHBondContact O-N 3.19Å; I293-L296 PolarHBondContact O-N 3.48Å
294	R	58.2	Low	59.1	Low	152 Å²	152	97.2 Å²	97.2	57%	0.574	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19.4	-179.1	-93.6	-174.7	178	-149.6	-6.9	114.8	D283 S290 L296	D283-R294 IonicContact OD2-CZ 3.37Å; D283-R294 VanDerWaalsContact OD2-CZ 3.24Å; D283-R294 IonicContact OD2-NH1 3.93Å; D283-R294 PolarHBondContact OD2-NH1 3.48Å; D283-R294 IonicContact OD2-NH2 3.8Å; D283-R294 PolarHBondContact OD2-NH2 3.12Å; S290-R294 PolarHBondContact O-N 3.15Å; S290-R294 VanDerWaalsContact O-N 3.1Å; R294-L296 VanDerWaalsContact C-N 3.29Å; R294-L296 PolarHBondContact O-N 3.2Å
295	D	69.1	Low	58.6	Low	48 Å²	48	97.7 Å²	97.7	26%	0.257	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-82.5	-8.4	-175.5	-63.5	-21.2	0	0	0	112.9	R159 I293	R159-D295 WeakPolarHBondContact CG-OD2 3.45Å; R159-D295 IonicContact CZ-OD1 2.82Å; R159-D295 IonicContact CZ-OD2 2.76Å; R159-D295 IonicContact NE-OD1 2.88Å; R159-D295 IonicContact NE-OD2 2.83Å; R159-D295 PolarHBondContact NE-OD2 3.34Å; R159-D295 IonicContact NH2-OD1 2.75Å; R159-D295 PolarHBondContact NH2-OD1 2.94Å; R159-D295 IonicContact NH2-OD2 3.24Å; R159-D295 PolarHBondContact NH2-OD2 3.43Å; I293-D295 PolarHBondContact O-N 3.19Å
296	L	75.5	Confident	58.5	Low	22 Å²	22	91.4 Å²	91.4	12%	0.115	47%	0.472	C	S	.	.	S	Bend	trans	-95.5	140.7	174.6	-76.7	140.8	0	0	0	111	F133 W148 S163 I164 H167 I293 R294	F133-L296 HydrophobicContact CE1-CB 4.28Å; F133-L296 HydrophobicContact CE1-CD2 4.03Å; F133-L296 HydrophobicContact CE2-CD2 4.22Å; F133-L296 HydrophobicContact CZ-CD2 3.84Å; W148-L296 HydrophobicContact CH2-CD2 3.91Å; W148-L296 HydrophobicContact CZ3-CD2 4.07Å; S163-L296 WeakPolarHBondContact O-CD1 3.47Å; I164-L296 HydrophobicContact CG1-CD2 3.78Å; H167-L296 HydrophobicContact CB-CD1 3.71Å; I293-L296 PolarHBondContact O-N 3.48Å; R294-L296 VanDerWaalsContact C-N 3.29Å; R294-L296 PolarHBondContact O-N 3.2Å
297	P	76.3	Confident	58.8	Low	23 Å²	23	91.1 Å²	91.1	15%	0.149	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-66.1	145.3	176.1	27.7	-31.4	0	0	0	110.4	E130 F133 R134 I299	E130-P297 HydrophobicContact CB-CG 4.21Å; E130-P297 HydrophobicContact CG-CG 4.28Å; F133-P297 HydrophobicContact CD1-CG 3.93Å; F133-P297 VanDerWaalsContact CE1-O 3.32Å; F133-P297 WeakPolarHBondContact CE1-O 3.39Å; R134-P297 HydrophobicContact CG-CB 3.7Å; R134-P297 HydrophobicContact CG-CG 4Å; P297-I299 PolarHBondContact O-N 3.17Å
298	P	75.4	Confident	59.4	Low	91 Å²	91	84.4 Å²	84.4	59%	0.591	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-64.2	136.6	179.8	26.9	-33.8	0	0	0	110.2	R134 T300	R134-P298 WeakPolarHBondContact CG-O 3.42Å; P298-T300 HydrophobicContact CG-CG2 4.45Å; P298-T300 PolarHBondContact O-N 3.05Å
299	I	72.5	Confident	60	Low	95 Å²	95	77.1 Å²	77.1	49%	0.487	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-67.6	119.3	170.1	-59	174.6	0	0	0	107.1	F133 P297	F133-I299 HydrophobicContact CD1-CG1 4.33Å; F133-I299 HydrophobicContact CE1-CD1 4.39Å; F133-I299 HydrophobicContact CE1-CG1 3.85Å; F133-I299 HydrophobicContact CZ-CD1 4.27Å; F133-I299 HydrophobicContact CZ-CG1 4.24Å; P297-I299 PolarHBondContact O-N 3.17Å
300	T	67.2	Low	60.8	Low	34 Å²	34	70.7 Å²	70.7	21%	0.209	38%	0.375	C	S	.	.			trans	-115.6	128.5	-179	53.6	0	0	0	0	108.9	R134 P298 D302	R134-T300 PolarHBondContact O-N 3.49Å; P298-T300 HydrophobicContact CG-CG2 4.45Å; P298-T300 PolarHBondContact O-N 3.05Å; T300-D302 PolarHBondContact O-N 3.37Å
301	S	59.2	Low	61.4	Low	116 Å²	116	70.5 Å²	70.5	81%	0.811	37%	0.374	S	S	*	.	S	Bend	trans	-65	-19.2	171.5	51.7	0	0	0	0	112.8	F303	S301-F303 PolarHBondContact O-N 3.31Å; S301-F303 VanDerWaalsContact O-N 3.09Å
302	D	57.8	Low	62.3	Low	119 Å²	119	69.7 Å²	69.7	64%	0.636	37%	0.37	S	S	*	.	S	Bend	trans	-68	108.1	-179.1	-61	-16.8	0	0	0	109.8	T300 I304	T300-D302 PolarHBondContact O-N 3.37Å; D302-I304 PolarHBondContact O-N 3.4Å
303	F	52.5	Low	63.1	Low	95 Å²	95	69.9 Å²	69.9	42%	0.417	37%	0.365	S	S	.	.			trans	-72.9	87.8	-175.2	-147.9	-87.1	0	0	0	109.8	S301 R305	S301-F303 PolarHBondContact O-N 3.31Å; S301-F303 VanDerWaalsContact O-N 3.09Å; F303-R305 HydrophobicContact CD1-CB 4.35Å; F303-R305 HydrophobicContact CE1-CG 4.49Å; F303-R305 PolarHBondContact O-N 3.27Å
304	I	53	Low	64.2	Low	76 Å²	76	67 Å²	67	39%	0.39	35%	0.35	S	S	.	.			trans	-74.6	83.8	166.2	-54.4	173.6	0	0	0	106.3	L131 Q135 D302	L131-I304 HydrophobicContact CD1-CB 4.22Å; L131-I304 HydrophobicContact CD1-CG2 4.3Å; Q135-I304 PolarHBondContact NE2-O 3.39Å; D302-I304 PolarHBondContact O-N 3.4Å
305	R	52.8	Low	65.1	Low	179 Å²	179	66.3 Å²	66.3	68%	0.675	35%	0.351	S	S	*	.			trans	-45.8	129.4	173.4	-153.5	-173.1	-64.3	-120.7	5.1	107.4	F303 V307	F303-R305 HydrophobicContact CD1-CB 4.35Å; F303-R305 HydrophobicContact CE1-CG 4.49Å; F303-R305 PolarHBondContact O-N 3.27Å; R305-V307 PolarHBondContact O-N 3.31Å
306	P	52.7	Low	65.5	Low	19 Å²	19	72.6 Å²	72.6	12%	0.123	38%	0.379	C	S	.	.			trans	-55.4	111.8	179	3.3	-6.2	0	0	0	108.4	W115 L131 G308 W313	W115-P306 HydrophobicContact CH2-CG 3.59Å; W115-P306 HydrophobicContact CZ2-CG 4.39Å; W115-P306 HydrophobicContact CZ3-CG 4.43Å; L131-P306 HydrophobicContact CD2-CB 3.97Å; P306-G308 PolarHBondContact O-N 3.44Å; P306-W313 HydrophobicContact CB-CZ2 4.12Å
307	V	53.3	Low	65.8	Low	113 Å²	113	76.7 Å²	76.7	69%	0.685	40%	0.401	S	S	*	.	S	Bend	trans	-68.8	96.4	-174.8	-176.6	0	0	0	0	106.3	R305 W313	R305-V307 PolarHBondContact O-N 3.31Å; V307-W313 PolarHBondContact O-NE1 3.38Å
308	G	62.3	Low	65.8	Low	12 Å²	12	80.6 Å²	80.6	12%	0.124	42%	0.417	C	S	.	.	S	Bend	trans	82	161.4	-177.1	0	0	0	0	0	114.4	P306 S312 Y458	P306-G308 PolarHBondContact O-N 3.44Å; G308-S312 WeakPolarHBondContact CA-OG 3.47Å; G308-Y458 VanDerWaalsContact CA-CE2 3.41Å; G308-Y458 VanDerWaalsContact CA-CZ 3.45Å; G308-Y458 WeakPolarHBondContact CA-OH 3.49Å; G308-Y458 PolarHBondContact O-OH 2.93Å
309	I	66.1	Low	65.8	Low	26 Å²	26	84.8 Å²	84.8	13%	0.133	43%	0.431	C	S	.	.			trans	-56.9	134	172.9	-58.6	174.8	0	0	0	104	Q89 Y93 S311 S312 Y458	Q89-I309 HydrophobicContact CG-CG2 4.43Å; Q89-I309 VanDerWaalsContact NE2-CG2 3.3Å; Y93-I309 HydrophobicContact CD1-CG1 4.26Å; Y93-I309 HydrophobicContact CD2-CG1 4.05Å; Y93-I309 HydrophobicContact CE1-CG1 4.48Å; Y93-I309 HydrophobicContact CE2-CG1 4.26Å; Y93-I309 HydrophobicContact CG-CG1 4.08Å; I309-S311 VanDerWaalsContact CG2-OG 3.26Å; I309-S311 WeakPolarHBondContact CG2-OG 3.37Å; I309-S311 PolarHBondContact O-N 3.42Å; I309-S312 PolarHBondContact N-OG 3.39Å; I309-S312 WeakPolarHBondContact O-CA 3.35Å; I309-S312 VanDerWaalsContact O-CB 3.23Å; I309-S312 WeakPolarHBondContact O-CB 3.31Å; I309-S312 PolarHBondContact O-N 2.9Å; I309-S312 PolarHBondContact O-OG 2.89Å; I309-Y458 HydrophobicContact CD1-CE1 4.46Å; I309-Y458 HydrophobicContact CG1-CE1 3.8Å; I309-Y458 PolarHBondContact N-OH 2.92Å
310	P	65	Low	65.7	Low	7 Å²	7	87.1 Å²	87.1	5%	0.045	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-54.2	-23.1	-176	-33	38.3	0	0	0	115.2	L118 C122 L128 S312 W313	L118-P310 HydrophobicContact CD2-CG 3.95Å; L118-P310 HydrophobicContact CG-CG 4.49Å; C122-P310 HydrophobicContact CB-CB 4.36Å; C122-P310 WeakPolarHBondContact SG-CB 3.36Å; L128-P310 HydrophobicContact CD1-CG 4.31Å; L128-P310 HydrophobicContact CD2-CB 4.46Å; L128-P310 HydrophobicContact CD2-CG 4.18Å; P310-S312 PolarHBondContact O-N 3.38Å; P310-W313 HydrophobicContact CB-CD2 4.45Å; P310-W313 HydrophobicContact CB-CZ2 4.32Å; P310-W313 HydrophobicContact CG-CZ2 4.26Å; P310-W313 PolarHBondContact O-N 3.38Å
311	S	65.2	Low	65.9	Low	38 Å²	38	89.3 Å²	89.3	27%	0.266	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.1	170.3	55.1	0	0	0	0	113.8	Q89 I309	Q89-S311 PolarHBondContact NE2-OG 2.9Å; I309-S311 VanDerWaalsContact CG2-OG 3.26Å; I309-S311 WeakPolarHBondContact CG2-OG 3.37Å; I309-S311 PolarHBondContact O-N 3.42Å
312	S	68.7	Low	66.3	Low	27 Å²	27	88.9 Å²	88.9	19%	0.189	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-81.1	-16.9	-179	71.2	0	0	0	0	114.8	G308 I309 P310 Q314 K315	G308-S312 WeakPolarHBondContact CA-OG 3.47Å; I309-S312 PolarHBondContact N-OG 3.39Å; I309-S312 WeakPolarHBondContact O-CA 3.35Å; I309-S312 VanDerWaalsContact O-CB 3.23Å; I309-S312 WeakPolarHBondContact O-CB 3.31Å; I309-S312 PolarHBondContact O-N 2.9Å; I309-S312 PolarHBondContact O-OG 2.89Å; P310-S312 PolarHBondContact O-N 3.38Å; S312-Q314 PolarHBondContact O-N 3.33Å; S312-K315 WeakPolarHBondContact O-CG 3.49Å; S312-K315 PolarHBondContact O-N 3.08Å
313	W	70.8	Confident	66.8	Low	78 Å²	78	87.8 Å²	87.8	30%	0.295	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-62.3	-19.4	-174.6	-64.1	-8.4	0	0	0	114	E127 L128 L131 P306 V307 P310	E127-W313 HydrophobicContact CB-CZ3 4.36Å; L128-W313 HydrophobicContact CB-CH2 4.25Å; L128-W313 HydrophobicContact CB-CZ3 4.24Å; L128-W313 HydrophobicContact CD1-CH2 3.9Å; L131-W313 HydrophobicContact CD2-CH2 3.85Å; L131-W313 HydrophobicContact CD2-CZ2 4.01Å; P306-W313 HydrophobicContact CB-CZ2 4.12Å; V307-W313 PolarHBondContact O-NE1 3.38Å; P310-W313 HydrophobicContact CB-CD2 4.45Å; P310-W313 HydrophobicContact CB-CZ2 4.32Å; P310-W313 HydrophobicContact CG-CZ2 4.26Å; P310-W313 PolarHBondContact O-N 3.38Å
314	Q	75.1	Confident	67.3	Low	37 Å²	37	93.1 Å²	93.1	17%	0.173	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-128.4	30.2	-177.6	-63.7	-170.2	-38.8	0	0	112.4	N123 S312 E316 N317	N123-Q314 PolarHBondContact ND2-OE1 2.96Å; S312-Q314 PolarHBondContact O-N 3.33Å; Q314-E316 PolarHBondContact O-N 3.43Å; Q314-E316 VanDerWaalsContact O-N 3.14Å; Q314-N317 HydrophobicContact CB-CB 4.38Å; Q314-N317 WeakPolarHBondContact O-CB 3.33Å; Q314-N317 PolarHBondContact O-N 3.37Å
315	K	75.8	Confident	67.6	Low	137 Å²	137	94.4 Å²	94.4	60%	0.596	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-53.8	-32.7	178.1	-82.5	170.8	172.2	-174.4	0	112.7	S312 N317 Q318	S312-K315 WeakPolarHBondContact O-CG 3.49Å; S312-K315 PolarHBondContact O-N 3.08Å; K315-N317 PolarHBondContact O-N 3.08Å; K315-Q318 PolarHBondContact O-N 3.28Å; K315-Q318 VanDerWaalsContact O-N 3.16Å
316	E	78.9	Confident	67.7	Low	180 Å²	180	95.4 Å²	95.4	84%	0.841	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23	175.9	63.6	178.1	-169.8	0	0	114.5	Q314 Q318	Q314-E316 PolarHBondContact O-N 3.43Å; Q314-E316 VanDerWaalsContact O-N 3.14Å; E316-Q318 VanDerWaalsContact C-N 3.33Å
317	N	81.5	Confident	67.5	Low	109 Å²	109	99.7 Å²	99.7	58%	0.583	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-84.9	-7.6	177.8	-67.1	-35.5	0	0	0	112.8	Q314 K315	Q314-N317 HydrophobicContact CB-CB 4.38Å; Q314-N317 WeakPolarHBondContact O-CB 3.33Å; Q314-N317 PolarHBondContact O-N 3.37Å; K315-N317 PolarHBondContact O-N 3.08Å
318	Q	75.4	Confident	67.5	Low	104 Å²	104	103.1 Å²	103.1	49%	0.486	52%	0.522	S	S	.	.			trans	-119.5	129.8	-179.2	-61.4	-174.4	6.6	0	0	109.4	N123 K315 E316	N123-Q318 PolarHBondContact ND2-NE2 3.01Å; N123-Q318 VanDerWaalsContact ND2-NE2 3.14Å; K315-Q318 PolarHBondContact O-N 3.28Å; K315-Q318 VanDerWaalsContact O-N 3.16Å; E316-Q318 VanDerWaalsContact C-N 3.33Å
319	M	76.3	Confident	66.9	Low	179 Å²	179	109.5 Å²	109.5	88%	0.882	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-100.5	116.5	173.1	179	168.5	39.8	0	0	108
320	E	70.8	Confident	65.6	Low	144 Å²	144	114 Å²	114	67%	0.673	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-62.1	137.8	169.9	-68.8	-61	153.5	0	0	109.3	S322	E320-S322 PolarHBondContact O-N 3.07Å
321	P	70.6	Confident	64.6	Low	81 Å²	81	119.9 Å²	119.9	53%	0.526	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-59	137.7	175.2	25.1	-31.6	0	0	0	108.9	N325	P321-N325 VanDerWaalsContact O-CG 3.25Å; P321-N325 PolarHBondContact O-ND2 3.31Å; P321-N325 PolarHBondContact O-OD1 3.43Å; P321-N325 VanDerWaalsContact O-OD1 3.07Å
322	S	68.3	Low	63.2	Low	107 Å²	107	124.1 Å²	124.1	75%	0.748	64%	0.641	S	S	*	*			trans	-106.5	-19.6	-178.7	56.9	0	0	0	0	113.6	E320	E320-S322 PolarHBondContact O-N 3.07Å
323	S	67.9	Low	61.8	Low	95 Å²	95	128.2 Å²	128.2	66%	0.664	67%	0.665	S	S	*	*	S	Bend	trans	-97.2	-4.5	-165.3	50.3	0	0	0	0	116.3
324	W	63.1	Low	60.4	Low	207 Å²	207	131 Å²	131	78%	0.784	69%	0.691	S	S	*	*	S	Bend	trans	-130.1	20.8	-178.4	-65.9	95.6	0	0	0	114.2	K326	W324-K326 VanDerWaalsContact C-N 3.35Å; W324-K326 PolarHBondContact O-N 2.99Å
325	N	59.7	Low	58.7	Low	104 Å²	104	135.2 Å²	135.2	56%	0.556	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	10.8	-164.6	-66.1	4	0	0	0	116.1	P321	P321-N325 VanDerWaalsContact O-CG 3.25Å; P321-N325 PolarHBondContact O-ND2 3.31Å; P321-N325 PolarHBondContact O-OD1 3.43Å; P321-N325 VanDerWaalsContact O-OD1 3.07Å
326	K	55	Low	57.1	Low	200 Å²	200	134.1 Å²	134.1	87%	0.87	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.3	18.7	-172.4	-65.3	-168.9	179.3	-175.6	0	116.6	W324 Q328	W324-K326 VanDerWaalsContact C-N 3.35Å; W324-K326 PolarHBondContact O-N 2.99Å; K326-Q328 PolarHBondContact O-N 3.46Å; K326-Q328 VanDerWaalsContact O-N 3.17Å
327	V	48.4	Very low	55.1	Low	109 Å²	109	130.6 Å²	130.6	66%	0.661	73%	0.728	S	S	*	*			trans	-90.6	74.2	175.5	-168	0	0	0	0	110.1
328	Q	52.1	Low	53.2	Low	184 Å²	184	131 Å²	131	86%	0.86	74%	0.739	S	S	*	*			trans	-85	113.4	145.7	-76	-168	-5.5	0	0	105.8	K326 T330	K326-Q328 PolarHBondContact O-N 3.46Å; K326-Q328 VanDerWaalsContact O-N 3.17Å; Q328-T330 PolarHBondContact O-N 3.26Å
329	L	49.7	Very low	51.7	Low	147 Å²	147	131.6 Å²	131.6	77%	0.77	76%	0.755	S	S	*	*			trans	-56.8	115.2	169.5	-82.3	151.8	0	0	0	107.7	T331	L329-T331 VanDerWaalsContact C-N 3.28Å; L329-T331 HydrophobicContact CB-CG2 4.49Å; L329-T331 PolarHBondContact O-N 2.85Å
330	T	40.2	Very low	50.2	Low	121 Å²	121	134.1 Å²	134.1	74%	0.742	76%	0.755	S	S	*	*			trans	-62.6	90.7	165.3	40.6	0	0	0	0	108.2	Q328 T332	Q328-T330 PolarHBondContact O-N 3.26Å; T330-T332 PolarHBondContact O-N 2.85Å
331	T	43.3	Very low	49	Very low	130 Å²	130	133.5 Å²	133.5	80%	0.798	76%	0.763	S	S	*	*			trans	-80.5	63.3	171.1	53.4	0	0	0	0	109.7	L329	L329-T331 VanDerWaalsContact C-N 3.28Å; L329-T331 HydrophobicContact CB-CG2 4.49Å; L329-T331 PolarHBondContact O-N 2.85Å
332	T	36.1	Very low	47.8	Very low	126 Å²	126	136.7 Å²	136.7	77%	0.773	77%	0.774	S	S	*	*			trans	-155.9	91.3	161.4	26.4	0	0	0	0	107.5	T330	T330-T332 PolarHBondContact O-N 2.85Å
333	T	37.7	Very low	46.7	Very low	113 Å²	113	137 Å²	137	69%	0.693	78%	0.777	S	S	*	*			trans	-140.3	97.2	158.1	-54.5	0	0	0	0	107.4	V335	T333-V335 PolarHBondContact O-N 3.2Å; T333-V335 VanDerWaalsContact O-N 3.15Å
334	T	43	Very low	45.9	Very low	137 Å²	137	139.9 Å²	139.9	84%	0.84	78%	0.784	S	S	*	*			trans	-54.7	107.2	157.6	28.7	0	0	0	0	108
335	V	39	Very low	44.9	Very low	125 Å²	125	134.5 Å²	134.5	76%	0.758	78%	0.775	S	S	*	*			trans	-76.3	126.2	172.2	-176.3	0	0	0	0	107.9	T333 A337	T333-V335 PolarHBondContact O-N 3.2Å; T333-V335 VanDerWaalsContact O-N 3.15Å; V335-A337 PolarHBondContact O-N 3.4Å
336	P	41.5	Very low	44.2	Very low	114 Å²	114	136.2 Å²	136.2	74%	0.74	78%	0.784	S	S	*	*			trans	-69.8	125.2	171.4	-8.9	24.4	0	0	0	109.5	S338	P336-S338 PolarHBondContact O-N 3.46Å
337	A	37.9	Very low	43.9	Very low	107 Å²	107	137.8 Å²	137.8	88%	0.884	79%	0.785	S	S	*	*	S	Bend	trans	-72	88.9	173.5	0	0	0	0	0	110.5	V335	V335-A337 PolarHBondContact O-N 3.4Å
338	S	42.1	Very low	44.2	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	79%	0.791	S	S	*	*			trans	-172.3	95.8	153.7	-167.4	0	0	0	0	111.2	P336	P336-S338 PolarHBondContact O-N 3.46Å
339	S	42.4	Very low	44.7	Very low	118 Å²	118	138.8 Å²	138.8	83%	0.825	79%	0.786	S	S	*	*			trans	-157	130	145.3	48.8	0	0	0	0	109.2
340	R	45.4	Very low	44.9	Very low	231 Å²	231	141.1 Å²	141.1	87%	0.872	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-57.9	143.4	-176.8	-76.7	172	169.6	175.7	-4.6	111.2	I342	R340-I342 PolarHBondContact O-N 3.26Å
341	P	44.6	Very low	45.9	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.2	117.1	175.2	28.7	-30.5	0	0	0	109.5
342	I	47	Very low	46.4	Very low	149 Å²	149	143.6 Å²	143.6	76%	0.764	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84	126.3	164.3	-64.4	168.5	0	0	0	106.5	R340 L344	R340-I342 PolarHBondContact O-N 3.26Å; I342-L344 PolarHBondContact O-N 2.88Å
343	S	44.9	Very low	47.3	Very low	114 Å²	114	144 Å²	144	80%	0.797	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-59	120.5	179.3	53	0	0	0	0	112.2
344	L	49.9	Very low	47.4	Very low	154 Å²	154	147.7 Å²	147.7	81%	0.806	80%	0.799	S	S	*	*			trans	-146.9	155.1	169.5	-95.3	141.9	0	0	0	108.1	I342	I342-L344 PolarHBondContact O-N 2.88Å
345	P	43.5	Very low	47.4	Very low	94 Å²	94	147 Å²	147	61%	0.61	79%	0.794	S	S	*	*				-73.9	151.6	-129.9	29.5	-36.8	0	0	0	114.8	W347	P345-W347 VanDerWaalsContact O-CD1 3.26Å; P345-W347 PolarHBondContact O-N 2.99Å; P345-W347 VanDerWaalsContact O-N 3.16Å
346	N	44	Very low	47.2	Very low	140 Å²	140	150 Å²	150	75%	0.749	80%	0.8	S	S	*	*			trans	-59.2	107.9	-176.6	-136.5	27.8	0	0	0	111.5	E348	N346-E348 PolarHBondContact ND2-OE1 3.35Å
347	W	50	Low	47.1	Very low	233 Å²	233	152.6 Å²	152.6	88%	0.883	80%	0.802	S	S	*	*			trans	-108.2	99	161.8	-68.6	85.6	0	0	0	106.9	P345 I349	P345-W347 VanDerWaalsContact O-CD1 3.26Å; P345-W347 PolarHBondContact O-N 2.99Å; P345-W347 VanDerWaalsContact O-N 3.16Å; W347-I349 PolarHBondContact O-N 3.19Å
348	E	53	Low	47	Very low	166 Å²	166	153.6 Å²	153.6	78%	0.776	80%	0.797	S	S	*	*			trans	-79.2	110.3	171.3	-80.6	170.8	-173	0	0	108.7	N346 F350	N346-E348 PolarHBondContact ND2-OE1 3.35Å; E348-F350 PolarHBondContact O-N 2.63Å
349	I	64.4	Low	46.7	Very low	148 Å²	148	156.3 Å²	156.3	76%	0.759	80%	0.797	S	S	*	*			trans	-67.7	125.3	160.5	-63.6	169.9	0	0	0	105.4	W347 T351	W347-I349 PolarHBondContact O-N 3.19Å; I349-T351 PolarHBondContact O-N 3.47Å
350	F	52.3	Low	46.2	Very low	196 Å²	196	156.4 Å²	156.4	86%	0.86	79%	0.793	S	S	*	*			trans	-55.6	105.9	176.4	-126	-90.5	0	0	0	109.1	E348	E348-F350 PolarHBondContact O-N 2.63Å
351	T	63	Low	45.7	Very low	109 Å²	109	152.3 Å²	152.3	67%	0.669	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-95.9	130.4	165.9	49.1	0	0	0	0	107.1	I349 D353	I349-T351 PolarHBondContact O-N 3.47Å; T351-D353 PolarHBondContact O-N 2.93Å; T351-D353 VanDerWaalsContact O-N 3.12Å
352	E	53.7	Low	45.2	Very low	195 Å²	195	150.8 Å²	150.8	91%	0.911	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-50.7	119.3	177.8	-75.7	173.6	156.4	0	0	110.4	Q354	E352-Q354 PolarHBondContact O-N 2.92Å
353	D	53.3	Low	44.6	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-57	134.9	-178.6	-73.2	-42.5	0	0	0	110.6	T351 V355	T351-D353 PolarHBondContact O-N 2.93Å; T351-D353 VanDerWaalsContact O-N 3.12Å; D353-V355 PolarHBondContact O-N 2.98Å
354	Q	41.4	Very low	44.1	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.883	77%	0.773	S	S	*	*			trans	-58	111.3	168	-66.9	-154.6	-2.7	0	0	109	E352 E356	E352-Q354 PolarHBondContact O-N 2.92Å; Q354-E356 VanDerWaalsContact C-N 3.26Å; Q354-E356 PolarHBondContact O-N 3.27Å
355	V	41.6	Very low	43.2	Very low	122 Å²	122	149.1 Å²	149.1	74%	0.739	77%	0.772	S	S	*	*			trans	-69.4	88	168.4	-180	0	0	0	0	107.8	D353 Q357	D353-V355 PolarHBondContact O-N 2.98Å; V355-Q357 VanDerWaalsContact C-N 3.28Å; V355-Q357 HydrophobicContact CG1-CB 3.82Å; V355-Q357 HydrophobicContact CG1-CG 4.01Å; V355-Q357 PolarHBondContact O-N 3.33Å
356	E	36.2	Very low	42.6	Very low	189 Å²	189	151.7 Å²	151.7	88%	0.883	78%	0.78	S	S	*	*			trans	-70.1	91.1	146.7	-94.5	-172.8	152.8	0	0	107.4	Q354	Q354-E356 VanDerWaalsContact C-N 3.26Å; Q354-E356 PolarHBondContact O-N 3.27Å
357	Q	38.9	Very low	42.2	Very low	168 Å²	168	151.6 Å²	151.6	79%	0.785	78%	0.78	S	S	*	*			trans	-133.8	102.2	158.8	-74.5	-171	-4.4	0	0	110	V355	V355-Q357 VanDerWaalsContact C-N 3.28Å; V355-Q357 HydrophobicContact CG1-CB 3.82Å; V355-Q357 HydrophobicContact CG1-CG 4.01Å; V355-Q357 PolarHBondContact O-N 3.33Å
358	T	36.5	Very low	41.3	Very low	129 Å²	129	147.3 Å²	147.3	79%	0.791	77%	0.774	S	S	*	*			trans	-40.9	131.4	155.3	28.7	0	0	0	0	113.1
359	Q	35.2	Very low	40.2	Very low	173 Å²	173	145.1 Å²	145.1	81%	0.808	77%	0.772	S	S	*	*			trans	75.3	95.3	148.2	-68.6	177.2	-11.1	0	0	119
360	T	30.7	Very low	38.9	Very low	120 Å²	120	147.1 Å²	147.1	74%	0.736	78%	0.778	S	S	*	*				26.9	105.9	126.2	58.2	0	0	0	0	117.6
361	D	35	Very low	37.8	Very low	145 Å²	145	146.8 Å²	146.8	78%	0.775	78%	0.779	S	S	*	*				171.9	133.5	114.4	-87.9	-19.8	0	0	0	111.9
362	S	34.3	Very low	36.3	Very low	98 Å²	98	147 Å²	147	69%	0.685	79%	0.786	S	S	*	*			trans	60.3	109.8	140.8	-48	0	0	0	0	121.4
363	S	34.3	Very low	35.2	Very low	99 Å²	99	144 Å²	144	69%	0.692	78%	0.781	S	S	*	*				87.9	125.5	124.5	78.5	0	0	0	0	121.2
364	N	34.2	Very low	34.3	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	78%	0.783	S	S	*	*			trans	86.4	112.4	134.1	-67.2	-16.7	0	0	0	122.1
365	L	32.7	Very low	33.7	Very low	150 Å²	150	140.3 Å²	140.3	79%	0.785	78%	0.779	S	S	*	*				74.2	112.5	123.6	-76.3	150.6	0	0	0	120.9
366	L	30.3	Very low	33.4	Very low	147 Å²	147	140.5 Å²	140.5	77%	0.77	78%	0.781	S	S	*	*				23.2	123.5	128.6	-115	79	0	0	0	118.9
367	N	35.5	Very low	33.1	Very low	139 Å²	139	140.9 Å²	140.9	74%	0.743	78%	0.78	S	S	*	*				178.1	117.6	112.8	-92.8	-26.1	0	0	0	114.2
368	N	31.5	Very low	32.8	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	79%	0.787	S	S	*	*				46.1	120.1	124.5	-87.6	-6.6	0	0	0	122
369	T	29.8	Very low	32.7	Very low	119 Å²	119	148.4 Å²	148.4	73%	0.73	79%	0.792	S	S	*	*				140	120.2	108.2	-46.1	0	0	0	0	111.9
370	Q	36.6	Very low	32.2	Very low	190 Å²	190	144 Å²	144	89%	0.888	79%	0.793	S	S	*	*				177.2	142	124.5	-94.7	174.9	24.3	0	0	113
371	Q	29.2	Very low	32.2	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.883	81%	0.805	S	S	*	*			trans	-73	155.2	-172.5	-63.4	157.9	-23.9	0	0	113.4
372	S	32.1	Very low	31.7	Very low	115 Å²	115	150.2 Å²	150.2	80%	0.804	81%	0.811	S	S	*	*				179.5	137.5	117.9	-162.1	0	0	0	0	112.9
373	T	30	Very low	31.4	Very low	132 Å²	132	154.7 Å²	154.7	81%	0.81	82%	0.823	S	S	*	*			trans	-83	135	179.2	46.6	0	0	0	0	112.9
374	V	33.6	Very low	31.2	Very low	128 Å²	128	159.7 Å²	159.7	78%	0.776	83%	0.832	S	S	*	*			trans	-140.7	121.5	161.8	-179.2	0	0	0	0	111.6	T376	V374-T376 HydrophobicContact CG1-CG2 4.39Å
375	C	28.9	Very low	30.7	Very low	117 Å²	117	158.3 Å²	158.3	79%	0.791	83%	0.833	S	S	*	*			trans	-78.3	136.1	170.3	-171.9	0	0	0	0	110.3
376	T	34.9	Very low	30.5	Very low	127 Å²	127	159.6 Å²	159.6	78%	0.779	84%	0.84	S	S	*	*			trans	-131.4	115.8	168.2	50.2	0	0	0	0	112.6	V374	V374-T376 HydrophobicContact CG1-CG2 4.39Å
377	K	31.4	Very low	30.3	Very low	197 Å²	197	161.2 Å²	161.2	86%	0.857	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-70.8	134	166	-68.5	176	175.7	176.4	0	109.6
378	R	32.7	Very low	30.1	Very low	251 Å²	251	163.2 Å²	163.2	95%	0.947	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-99.1	128.7	164.1	-86.8	-175.1	178.5	161.9	0.7	111.5
379	K	33.4	Very low	30.1	Very low	204 Å²	204	161.1 Å²	161.1	89%	0.887	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-78.7	144.9	-177.1	-66	171.5	175.4	173.9	0	110.9
380	G	25.6	Very low	30.1	Very low	81 Å²	81	162.9 Å²	162.9	84%	0.835	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-73.6	152.1	169.5	0	0	0	0	0	113.3
381	L	29.3	Very low	29.9	Very low	187 Å²	187	159.2 Å²	159.2	98%	0.979	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-97.9	133.5	173.6	-84.4	161	0	0	0	110.4
382	K	26.2	Very low	29.9	Very low	207 Å²	207	156.9 Å²	156.9	90%	0.9	84%	0.843	S	S	*	*			trans	-118.1	124.2	169.4	-174.4	-179.7	-175.4	177.8	0	106.7
383	M	27.5	Very low	29.8	Very low	192 Å²	192	160 Å²	160	95%	0.946	85%	0.845	S	S	*	*			trans	-122.8	150.9	167.3	-161.7	142.4	91.7	0	0	111.1
384	K	28.7	Very low	29.8	Very low	205 Å²	205	159.1 Å²	159.1	89%	0.891	84%	0.841	S	S	*	*			trans	-84.2	155.9	-154.8	-70.9	170.9	173.1	175.7	0	114.1
385	S	24.9	Very low	29.5	Very low	105 Å²	105	158.9 Å²	158.9	73%	0.734	84%	0.84	S	S	*	*			trans	-56.4	143.1	169.7	164.6	0	0	0	0	114.3
386	L	28.4	Very low	29.4	Very low	176 Å²	176	161 Å²	161	92%	0.921	84%	0.843	S	S	*	*			trans	-129.8	137.2	149.6	-148.1	78.9	0	0	0	108.3
387	K	25.8	Very low	29	Very low	181 Å²	181	163 Å²	163	79%	0.787	84%	0.844	S	S	*	*			trans	-88.9	152.5	179.6	-72.5	174.7	170.4	-179.5	0	110.6
388	E	30.8	Very low	28.8	Very low	181 Å²	181	161.2 Å²	161.2	85%	0.846	84%	0.842	S	S	*	*			trans	163.8	109.4	138	-93.6	166.1	-176.5	0	0	108.6
389	S	31.6	Very low	28.6	Very low	99 Å²	99	152.9 Å²	152.9	69%	0.692	82%	0.823	S	S	*	*				57	125.3	105.8	60	0	0	0	0	113.1
390	D	30.9	Very low	28.3	Very low	156 Å²	156	151.1 Å²	151.1	83%	0.834	82%	0.815	S	S	*	*			cis	-162.8	172.4	27.3	-101.9	-27.7	0	0	0	109.6
391	P	31.1	Very low	28.6	Very low	113 Å²	113	153.2 Å²	153.2	73%	0.734	81%	0.806	S	S	*	*			trans	-97.8	146.6	-164.9	36.7	-30.5	0	0	0	114.1
392	C	30.5	Very low	28.7	Very low	140 Å²	140	153 Å²	153	95%	0.946	80%	0.8	S	S	*	*			trans	-153.9	143.7	154.1	-120.6	0	0	0	0	112.1
393	Q	29.9	Very low	29	Very low	182 Å²	182	146.9 Å²	146.9	85%	0.85	78%	0.78	S	S	*	*			trans	-65.6	161.9	-164.8	-76	176.9	-33.1	0	0	116
394	P	28.9	Very low	29.2	Very low	112 Å²	112	141.6 Å²	141.6	73%	0.727	76%	0.761	S	S	*	*			trans	-87.3	125.8	-175.9	34.5	-28.8	0	0	0	111
395	T	28.7	Very low	29.4	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	75%	0.751	S	S	*	*			trans	-101.7	101.3	157.7	50.5	0	0	0	0	107.6	E397	T395-E397 PolarHBondContact O-N 3.5Å
396	N	26.1	Very low	29.7	Very low	160 Å²	160	136.7 Å²	136.7	86%	0.856	74%	0.739	S	S	*	*			trans	-69.9	71.2	163.1	-78.5	-13	0	0	0	108.6
397	E	27.3	Very low	30	Very low	170 Å²	170	133.2 Å²	133.2	79%	0.794	72%	0.722	S	S	*	*			trans	-136.9	79.1	166.9	-75.6	-174	173.4	0	0	106.9	T395 S399	T395-E397 PolarHBondContact O-N 3.5Å; E397-S399 VanDerWaalsContact C-N 3.29Å; E397-S399 PolarHBondContact O-N 3.25Å
398	I	26.6	Very low	30.5	Very low	160 Å²	160	132.5 Å²	132.5	82%	0.821	72%	0.721	S	S	*	*			trans	-80	93.1	161.2	-62.3	172.8	0	0	0	105.2	F400	I398-F400 PolarHBondContact O-N 3.04Å
399	S	27.6	Very low	30.7	Very low	76 Å²	76	130.8 Å²	130.8	53%	0.531	72%	0.717	S	S	.	*			trans	-56.1	128	165.7	55.3	0	0	0	0	109	E397 I401	E397-S399 VanDerWaalsContact C-N 3.29Å; E397-S399 PolarHBondContact O-N 3.25Å; S399-I401 PolarHBondContact O-N 3.45Å; S399-I401 WeakPolarHBondContact OG-CD1 3.38Å
400	F	28.7	Very low	30.9	Very low	167 Å²	167	130.9 Å²	130.9	73%	0.732	71%	0.709	S	S	*	*	S	Bend	trans	-66.6	37.4	179.4	-105.8	-103.6	0	0	0	114.1	I398 E402 V403	I398-F400 PolarHBondContact O-N 3.04Å; F400-E402 VanDerWaalsContact C-N 3.27Å; F400-E402 PolarHBondContact O-N 2.88Å; F400-V403 HydrophobicContact CD1-CB 3.77Å; F400-V403 HydrophobicContact CD1-CG1 4.3Å; F400-V403 HydrophobicContact CD1-CG2 3.33Å; F400-V403 HydrophobicContact CE1-CB 4.38Å; F400-V403 HydrophobicContact CE1-CG2 3.62Å; F400-V403 HydrophobicContact CG-CG2 4.37Å; F400-V403 PolarHBondContact O-N 3.42Å
401	I	32.1	Very low	31.1	Very low	125 Å²	125	129.4 Å²	129.4	64%	0.641	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-14.8	-175.6	-66.8	174.2	0	0	0	112	S399 S404	S399-I401 PolarHBondContact O-N 3.45Å; S399-I401 WeakPolarHBondContact OG-CD1 3.38Å; I401-S404 PolarHBondContact O-OG 3.1Å
402	E	30.9	Very low	31.2	Very low	181 Å²	181	132.8 Å²	132.8	85%	0.846	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-6.3	175.8	-70.4	-177.1	154.1	0	0	114.2	F400 S404	F400-E402 VanDerWaalsContact C-N 3.27Å; F400-E402 PolarHBondContact O-N 2.88Å; E402-S404 VanDerWaalsContact C-N 3.27Å; E402-S404 PolarHBondContact O-N 3.16Å
403	V	31.6	Very low	31.4	Very low	79 Å²	79	134.4 Å²	134.4	48%	0.479	70%	0.696	S	S	.	*	G	3₁₀ helix	trans	-84.8	-1.5	174.7	-179.9	0	0	0	0	112.5	F400 S405 F406	F400-V403 HydrophobicContact CD1-CB 3.77Å; F400-V403 HydrophobicContact CD1-CG1 4.3Å; F400-V403 HydrophobicContact CD1-CG2 3.33Å; F400-V403 HydrophobicContact CE1-CB 4.38Å; F400-V403 HydrophobicContact CE1-CG2 3.62Å; F400-V403 HydrophobicContact CG-CG2 4.37Å; F400-V403 PolarHBondContact O-N 3.42Å; V403-S405 PolarHBondContact O-N 2.93Å; V403-F406 HydrophobicContact CG1-CB 4.37Å; V403-F406 PolarHBondContact O-N 3.49Å
404	S	31.3	Very low	31.6	Very low	81 Å²	81	132.1 Å²	132.1	57%	0.566	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-60.3	-9.6	170.9	-47.9	0	0	0	0	114.1	I401 E402 F406	I401-S404 PolarHBondContact O-OG 3.1Å; E402-S404 VanDerWaalsContact C-N 3.27Å; E402-S404 PolarHBondContact O-N 3.16Å; S404-F406 VanDerWaalsContact C-N 3.31Å
405	S	32.8	Very low	32	Very low	97 Å²	97	135.1 Å²	135.1	68%	0.678	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-78.3	-10.4	172.6	-47.2	0	0	0	0	113.8	V403	V403-S405 PolarHBondContact O-N 2.93Å
406	F	32.9	Very low	31.9	Very low	110 Å²	110	132.9 Å²	132.9	48%	0.482	70%	0.695	S	S	.	*	S	Bend	trans	-85.5	-21.5	177	-143.3	-98.6	0	0	0	112.8	V403 S404 H408 L409 L410	V403-F406 HydrophobicContact CG1-CB 4.37Å; V403-F406 PolarHBondContact O-N 3.49Å; S404-F406 VanDerWaalsContact C-N 3.31Å; F406-H408 VanDerWaalsContact C-N 3.26Å; F406-H408 PolarHBondContact O-N 3.04Å; F406-L409 PolarHBondContact O-N 2.97Å; F406-L410 HydrophobicContact CD1-CD1 4Å; F406-L410 HydrophobicContact CE1-CD1 4.39Å
407	N	35	Very low	32.2	Very low	103 Å²	103	132.1 Å²	132.1	55%	0.551	70%	0.696	S	S	*	*	H	α-helix	trans	-70	-19.5	175.9	-87.6	-16.3	0	0	0	113.5	L409 H411	N407-L409 VanDerWaalsContact C-N 3.31Å; N407-H411 PolarHBondContact O-N 3.14Å
408	H	35.7	Very low	32.2	Very low	167 Å²	167	130.2 Å²	130.2	77%	0.773	70%	0.695	S	S	*	*	H	α-helix	trans	-79	-15.1	175.9	-131.3	29.9	0	0	0	113.5	F406	F406-H408 VanDerWaalsContact C-N 3.26Å; F406-H408 PolarHBondContact O-N 3.04Å
409	L	35.4	Very low	32.3	Very low	144 Å²	144	128.2 Å²	128.2	75%	0.754	69%	0.691	S	S	*	*	H	α-helix	trans	-93.5	-13.7	174.1	-106.3	127	0	0	0	113.3	F406 N407	F406-L409 PolarHBondContact O-N 2.97Å; N407-L409 VanDerWaalsContact C-N 3.31Å
410	L	34.6	Very low	32.3	Very low	101 Å²	101	131.4 Å²	131.4	53%	0.529	70%	0.701	S	S	.	*	H	α-helix	trans	-100	-13.8	178.2	-78.2	159.4	0	0	0	113.7	F406	F406-L410 HydrophobicContact CD1-CD1 4Å; F406-L410 HydrophobicContact CE1-CD1 4.39Å
411	H	35.3	Very low	32.3	Very low	126 Å²	126	132.7 Å²	132.7	58%	0.583	71%	0.709	S	S	*	*			trans	-125.5	82.7	178.3	-70.8	-69.1	0	0	0	112.5	N407 H413	N407-H411 PolarHBondContact O-N 3.14Å; H411-H413 PolarHBondContact O-N 3.3Å
412	H	34.3	Very low	32.2	Very low	183 Å²	183	132.2 Å²	132.2	85%	0.847	72%	0.717	S	S	*	*			trans	-88.2	91.3	156.2	-95.8	-71.7	0	0	0	109.2
413	H	34	Very low	32.2	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.806	71%	0.711	S	S	*	*			trans	-89	114.6	154.5	-104.3	-49.4	0	0	0	107.7	H411	H411-H413 PolarHBondContact O-N 3.3Å
414	D	33.6	Very low	32.4	Very low	134 Å²	134	129 Å²	129	72%	0.717	72%	0.719	S	S	*	*				-170.2	139.3	121.8	-112.8	-24.4	0	0	0	112.6
415	H	36.8	Very low	32.8	Very low	175 Å²	175	132.1 Å²	132.1	81%	0.81	72%	0.724	S	S	*	*	S	Bend	trans	83.4	76.1	168.7	-52	-44.8	0	0	0	119.9
416	G	28	Very low	33	Very low	77 Å²	77	135 Å²	135	79%	0.794	73%	0.726	S	S	*	*				71.7	76.7	111.6	0	0	0	0	0	119.5
417	V	31.5	Very low	33.1	Very low	145 Å²	145	133.2 Å²	133.2	88%	0.879	73%	0.727	S	S	*	*			trans	-148.4	128	144.4	179.4	0	0	0	0	108.3
418	V	26.8	Very low	33.3	Very low	129 Å²	129	132.4 Å²	132.4	78%	0.782	72%	0.723	S	S	*	*			trans	-61.2	132.3	171.3	176.5	0	0	0	0	109.2
419	V	29.8	Very low	33.7	Very low	119 Å²	119	128.1 Å²	128.1	72%	0.721	71%	0.709	S	S	*	*			trans	167	117.4	137.4	159	0	0	0	0	110.7
420	D	28.1	Very low	33.9	Very low	142 Å²	142	124.3 Å²	124.3	76%	0.759	69%	0.689	S	S	*	*			trans	56.3	131.5	144.9	-59.8	-21.1	0	0	0	124.4	S422	D420-S422 PolarHBondContact O-N 3.36Å
421	H	28	Very low	34.2	Very low	194 Å²	194	122.9 Å²	122.9	90%	0.898	68%	0.681	S	S	*	*			trans	-64.1	103.9	-179.4	-63.8	-82.8	0	0	0	113.7
422	S	30.6	Very low	34.6	Very low	115 Å²	115	121.4 Å²	121.4	80%	0.804	68%	0.681	S	S	*	*			trans	-169.2	79.5	157.7	59.4	0	0	0	0	111.6	D420	D420-S422 PolarHBondContact O-N 3.36Å
423	S	31.3	Very low	35.2	Very low	104 Å²	104	117.1 Å²	117.1	73%	0.727	66%	0.66	S	S	*	*			trans	-148.4	57.4	176.6	64.2	0	0	0	0	113.2
424	S	35.5	Very low	35.8	Very low	90 Å²	90	111 Å²	111	63%	0.629	63%	0.633	S	S	*	*			trans	-92.3	2.5	165.5	65.2	0	0	0	0	113.3
425	H	38.8	Very low	36.4	Very low	146 Å²	146	109.8 Å²	109.8	68%	0.676	63%	0.627	S	S	*	*	S	Bend	trans	-94.7	-8.6	-172	-79.2	-46.9	0	0	0	115.8	V429	H425-V429 WeakPolarHBondContact O-CG2 3.47Å
426	Q	38	Very low	37	Very low	157 Å²	157	103.9 Å²	103.9	73%	0.734	60%	0.601	S	S	*	*	H	α-helix	trans	-83.6	-28.6	-172.5	-146.6	164.6	-0.4	0	0	113
427	S	34.5	Very low	37.6	Very low	72 Å²	72	105.3 Å²	105.3	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-69.7	-38.2	174.6	39.7	0	0	0	0	112.9	V429 L430 L431	S427-V429 VanDerWaalsContact C-N 3.29Å; S427-V429 PolarHBondContact O-N 2.87Å; S427-L430 PolarHBondContact O-N 3.48Å; S427-L431 PolarHBondContact O-N 2.96Å
428	D	39	Very low	38	Very low	86 Å²	86	103.8 Å²	103.8	46%	0.46	59%	0.592	S	S	.	*	H	α-helix	trans	-65.1	-32.3	179.4	-74.3	-16.9	0	0	0	112.7	L431 T432	D428-L431 PolarHBondContact O-N 3.38Å; D428-T432 PolarHBondContact O-N 2.95Å; D428-T432 PolarHBondContact O-OG1 3.08Å
429	V	44.6	Very low	38.7	Very low	77 Å²	77	103 Å²	103	47%	0.467	58%	0.578	S	S	.	*	H	α-helix	trans	-68.2	-34.2	179.8	175.7	0	0	0	0	111.9	H425 S427 T432 K433	H425-V429 WeakPolarHBondContact O-CG2 3.47Å; S427-V429 VanDerWaalsContact C-N 3.29Å; S427-V429 PolarHBondContact O-N 2.87Å; V429-T432 VanDerWaalsContact CA-OG1 3.31Å; V429-T432 WeakPolarHBondContact CA-OG1 3.24Å; V429-T432 PolarHBondContact O-OG1 3.31Å; V429-K433 WeakPolarHBondContact O-CG 3.14Å; V429-K433 PolarHBondContact O-N 2.93Å; V429-K433 VanDerWaalsContact O-N 3.12Å
430	L	38.7	Very low	39.1	Very low	64 Å²	64	102.4 Å²	102.4	34%	0.335	58%	0.577	S	S	.	*	H	α-helix	trans	-76.2	-37	176.9	-69.8	176.4	0	0	0	111.7	S427 K433 L434	S427-L430 PolarHBondContact O-N 3.48Å; L430-K433 HydrophobicContact CD2-CD 4.26Å; L430-K433 PolarHBondContact O-N 2.87Å; L430-L434 PolarHBondContact O-N 3.4Å
431	L	40.1	Very low	39.5	Very low	71 Å²	71	101.2 Å²	101.2	37%	0.372	58%	0.579	S	S	.	*	H	α-helix	trans	-68.1	-37.8	175.7	-71	169.9	0	0	0	112.1	S427 D428 L434 L436	S427-L431 PolarHBondContact O-N 2.96Å; D428-L431 PolarHBondContact O-N 3.38Å; L431-L434 PolarHBondContact O-N 3.42Å; L431-L436 HydrophobicContact CD2-CD1 4.25Å
432	T	45.1	Very low	40	Very low	96 Å²	96	98.3 Å²	98.3	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-68.6	-33.8	172.2	34.7	0	0	0	0	112.9	D428 V429 L434 N435	D428-T432 PolarHBondContact O-N 2.95Å; D428-T432 PolarHBondContact O-OG1 3.08Å; V429-T432 VanDerWaalsContact CA-OG1 3.31Å; V429-T432 WeakPolarHBondContact CA-OG1 3.24Å; V429-T432 PolarHBondContact O-OG1 3.31Å; T432-L434 PolarHBondContact O-N 3.15Å; T432-N435 PolarHBondContact O-N 3.44Å
433	K	47.2	Very low	40.3	Very low	93 Å²	93	102.6 Å²	102.6	40%	0.404	58%	0.575	S	S	.	*	H	α-helix	trans	-62.8	-26.1	171.9	-83	177.2	177.8	-176.7	0	113.4	V429 L430 R470 D475	V429-K433 WeakPolarHBondContact O-CG 3.14Å; V429-K433 PolarHBondContact O-N 2.93Å; V429-K433 VanDerWaalsContact O-N 3.12Å; L430-K433 HydrophobicContact CD2-CD 4.26Å; L430-K433 PolarHBondContact O-N 2.87Å; K433-R470 PolarHBondContact O-NH2 3.34Å; K433-D475 IonicContact NZ-OD1 3.65Å
434	L	45.2	Very low	40.8	Very low	46 Å²	46	102 Å²	102	24%	0.241	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-89.1	5.5	179.2	-69.7	173.2	0	0	0	114	L430 L431 T432 L436 E467	L430-L434 PolarHBondContact O-N 3.4Å; L431-L434 PolarHBondContact O-N 3.42Å; T432-L434 PolarHBondContact O-N 3.15Å; L434-L436 HydrophobicContact CB-CD1 4.07Å; L434-L436 HydrophobicContact CB-CG 4.1Å; L434-L436 HydrophobicContact CD1-CD1 4.43Å; L434-L436 PolarHBondContact O-N 3.04Å; L434-E467 WeakPolarHBondContact CD2-O 2.99Å
435	N	46.3	Very low	40.8	Very low	107 Å²	107	101.3 Å²	101.3	57%	0.572	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	48	28.8	-179.7	-90.6	-29.9	0	0	0	113.7	T432	T432-N435 PolarHBondContact O-N 3.44Å
436	L	49.5	Very low	41.1	Very low	51 Å²	51	103.6 Å²	103.6	27%	0.267	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-75.7	149	172.2	-68.7	170	0	0	0	108.7	L431 L434 S438	L431-L436 HydrophobicContact CD2-CD1 4.25Å; L434-L436 HydrophobicContact CB-CD1 4.07Å; L434-L436 HydrophobicContact CB-CG 4.1Å; L434-L436 HydrophobicContact CD1-CD1 4.43Å; L434-L436 PolarHBondContact O-N 3.04Å; L436-S438 PolarHBondContact O-N 3.25Å
437	P	40	Very low	41.1	Very low	107 Å²	107	103.1 Å²	103.1	70%	0.695	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-54	129.2	176.7	19.8	-29.6	0	0	0	110.2	F439	P437-F439 PolarHBondContact O-N 2.76Å
438	S	40.9	Very low	41	Very low	114 Å²	114	104.7 Å²	104.7	80%	0.797	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.2	179.8	51.4	0	0	0	0	110.5	L436	L436-S438 PolarHBondContact O-N 3.25Å
439	F	42	Very low	41	Very low	113 Å²	113	106.9 Å²	106.9	50%	0.496	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-68	149.9	172	-78.8	-86.1	0	0	0	110.8	P437 S441 I444	P437-F439 PolarHBondContact O-N 2.76Å; F439-S441 PolarHBondContact O-N 3.06Å; F439-I444 HydrophobicContact CB-CD1 4.25Å; F439-I444 HydrophobicContact CG-CD1 4.42Å
440	P	36.9	Very low	40.6	Very low	106 Å²	106	109 Å²	109	69%	0.688	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-56.9	133	170.2	22.3	-30.1	0	0	0	109.9	D442	P440-D442 PolarHBondContact O-N 3.36Å
441	S	37.5	Very low	40.8	Very low	116 Å²	116	110.9 Å²	110.9	81%	0.811	62%	0.621	S	S	*	*	S	Bend	trans	-67.9	5.3	-165.4	40.2	0	0	0	0	116.2	F439	F439-S441 PolarHBondContact O-N 3.06Å
442	D	38.4	Very low	41.1	Very low	133 Å²	133	112 Å²	112	71%	0.711	62%	0.623	S	S	*	*	S	Bend	trans	-138.1	119.2	-173.9	-63.9	-49.6	0	0	0	110.7	P440	P440-D442 PolarHBondContact O-N 3.36Å
443	K	37.3	Very low	41.1	Very low	205 Å²	205	112.3 Å²	112.3	89%	0.891	62%	0.621	S	S	*	*			trans	95.2	68.2	177.3	-56.3	174.2	179	178.5	0	116.4
444	I	40.9	Very low	40.9	Very low	92 Å²	92	112.1 Å²	112.1	47%	0.472	62%	0.623	S	S	.	*			trans	-120.3	109.4	155.2	-67.2	171.7	0	0	0	107.1	F439 F450	F439-I444 HydrophobicContact CB-CD1 4.25Å; F439-I444 HydrophobicContact CG-CD1 4.42Å; I444-F450 HydrophobicContact CB-CZ 4.15Å; I444-F450 HydrophobicContact CG1-CE1 4.38Å; I444-F450 HydrophobicContact CG1-CZ 4.1Å; I444-F450 HydrophobicContact CG2-CE1 4.34Å; I444-F450 HydrophobicContact CG2-CE2 3.66Å; I444-F450 HydrophobicContact CG2-CZ 3.29Å
445	S	35.8	Very low	40.9	Very low	75 Å²	75	114.2 Å²	114.2	52%	0.524	64%	0.641	S	S	.	*			trans	-73.6	141.4	174.2	173.1	0	0	0	0	109.7	I447	S445-I447 PolarHBondContact O-N 3.32Å
446	E	45.8	Very low	40.9	Very low	194 Å²	194	115.4 Å²	115.4	91%	0.907	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	2.5	-166.1	-151.2	169.6	-170.5	0	0	115.4
447	I	36.8	Very low	40.7	Very low	148 Å²	148	114 Å²	114	76%	0.759	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.1	-2.1	-170	-57.5	174.9	0	0	0	114.4	S445	S445-I447 PolarHBondContact O-N 3.32Å
448	D	32.3	Very low	40.9	Very low	105 Å²	105	112.8 Å²	112.8	56%	0.561	62%	0.622	S	S	*	*			trans	-86.6	124.1	-174.7	-71.3	-36.1	0	0	0	113.1	F450	D448-F450 VanDerWaalsContact O-CD2 3.22Å; D448-F450 WeakPolarHBondContact O-CD2 3.37Å; D448-F450 WeakPolarHBondContact O-CE2 3.24Å; D448-F450 PolarHBondContact O-N 3.44Å; D448-F450 VanDerWaalsContact O-N 3.12Å
449	C	38.8	Very low	41.4	Very low	132 Å²	132	109 Å²	109	89%	0.892	60%	0.601	S	S	*	*			trans	-61	112	167.3	-63.9	0	0	0	0	109.6	A451	C449-A451 PolarHBondContact O-N 2.89Å
450	F	37.5	Very low	42	Very low	122 Å²	122	104.7 Å²	104.7	54%	0.535	59%	0.589	S	S	.	*			trans	-79.6	117.1	173	-62.9	-78.6	0	0	0	110.2	I444 D448	I444-F450 HydrophobicContact CB-CZ 4.15Å; I444-F450 HydrophobicContact CG1-CE1 4.38Å; I444-F450 HydrophobicContact CG1-CZ 4.1Å; I444-F450 HydrophobicContact CG2-CE1 4.34Å; I444-F450 HydrophobicContact CG2-CE2 3.66Å; I444-F450 HydrophobicContact CG2-CZ 3.29Å; D448-F450 VanDerWaalsContact O-CD2 3.22Å; D448-F450 WeakPolarHBondContact O-CD2 3.37Å; D448-F450 WeakPolarHBondContact O-CE2 3.24Å; D448-F450 PolarHBondContact O-N 3.44Å; D448-F450 VanDerWaalsContact O-N 3.12Å
451	A	41.9	Very low	42.7	Very low	103 Å²	103	104.6 Å²	104.6	85%	0.851	58%	0.581	S	S	*	*			trans	-106.2	125.3	162.5	0	0	0	0	0	108.2	C449	C449-A451 PolarHBondContact O-N 2.89Å
452	F	46.5	Very low	43.2	Very low	95 Å²	95	106 Å²	106	42%	0.417	58%	0.575	S	S	.	*			trans	-119.7	151	166	56.8	-97.6	0	0	0	108.5	I454 I457	F452-I454 PolarHBondContact O-N 3.46Å; F452-I457 HydrophobicContact CD2-CD1 4.34Å; F452-I457 HydrophobicContact CD2-CG1 4.27Å; F452-I457 HydrophobicContact CE2-CD1 3.26Å; F452-I457 HydrophobicContact CE2-CG1 3.63Å; F452-I457 HydrophobicContact CZ-CD1 3.67Å; F452-I457 HydrophobicContact CZ-CG1 4.37Å
453	D	45.1	Very low	43.8	Very low	102 Å²	102	102 Å²	102	55%	0.545	55%	0.552	S	S	.	*			trans	-67	126.1	176.7	-171.3	-4.9	0	0	0	109.5	S455 L456	D453-S455 PolarHBondContact O-N 3.37Å; D453-S455 PolarHBondContact OD1-N 3.45Å; D453-S455 PolarHBondContact OD1-OG 3Å; D453-S455 PolarHBondContact OD2-OG 3.35Å; D453-L456 HydrophobicContact CB-CD1 4.17Å; D453-L456 HydrophobicContact CB-CG 4.43Å; D453-L456 VanDerWaalsContact O-CB 3.29Å; D453-L456 WeakPolarHBondContact O-CB 3.39Å; D453-L456 PolarHBondContact O-N 3.01Å
454	I	43.8	Very low	44.6	Very low	89 Å²	89	94.1 Å²	94.1	46%	0.456	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-56.4	-24.1	178.3	-71.6	167.6	0	0	0	110.9	F452 L456 I457	F452-I454 PolarHBondContact O-N 3.46Å; I454-L456 PolarHBondContact O-N 3.39Å; I454-L456 VanDerWaalsContact O-N 3.16Å; I454-I457 PolarHBondContact O-N 3.44Å
455	S	45.1	Very low	45.3	Very low	89 Å²	89	93.1 Å²	93.1	62%	0.622	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-58.4	-21.8	172.9	74.3	0	0	0	0	114	D453	D453-S455 PolarHBondContact O-N 3.37Å; D453-S455 PolarHBondContact OD1-N 3.45Å; D453-S455 PolarHBondContact OD1-OG 3Å; D453-S455 PolarHBondContact OD2-OG 3.35Å
456	L	45.3	Very low	46	Very low	132 Å²	132	97.4 Å²	97.4	69%	0.691	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-84.3	-14.9	178.2	-64.1	163.6	0	0	0	113.2	D453 I454	D453-L456 HydrophobicContact CB-CD1 4.17Å; D453-L456 HydrophobicContact CB-CG 4.43Å; D453-L456 VanDerWaalsContact O-CB 3.29Å; D453-L456 WeakPolarHBondContact O-CB 3.39Å; D453-L456 PolarHBondContact O-N 3.01Å; I454-L456 PolarHBondContact O-N 3.39Å; I454-L456 VanDerWaalsContact O-N 3.16Å
457	I	45.3	Very low	46.4	Very low	23 Å²	23	89.5 Å²	89.5	12%	0.118	49%	0.487	C	S	.	.	S	Bend	trans	-85	118.1	172.4	-64	-174.5	0	0	0	109.3	F452 I454 G459 G460 L464	F452-I457 HydrophobicContact CD2-CD1 4.34Å; F452-I457 HydrophobicContact CD2-CG1 4.27Å; F452-I457 HydrophobicContact CE2-CD1 3.26Å; F452-I457 HydrophobicContact CE2-CG1 3.63Å; F452-I457 HydrophobicContact CZ-CD1 3.67Å; F452-I457 HydrophobicContact CZ-CG1 4.37Å; I454-I457 PolarHBondContact O-N 3.44Å; I457-G459 PolarHBondContact O-N 3.34Å; I457-G460 PolarHBondContact O-N 3.38Å; I457-L464 HydrophobicContact CD1-CB 4.01Å; I457-L464 HydrophobicContact CD1-CD1 3.83Å; I457-L464 HydrophobicContact CD1-CD2 3.83Å; I457-L464 HydrophobicContact CD1-CG 4.08Å; I457-L464 HydrophobicContact CG2-CB 4.37Å
458	Y	44.9	Very low	47.2	Very low	81 Å²	81	86.8 Å²	86.8	32%	0.318	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	125.3	173.6	-164.3	-93.2	0	0	0	111	Y93 G308 I309 G460 E463	Y93-Y458 HydrophobicContact CD1-CE1 4.37Å; Y93-Y458 HydrophobicContact CE1-CD1 4.24Å; Y93-Y458 AromaticContact CE1-CE1 3.44Å; Y93-Y458 HydrophobicContact CE1-CE1 3.44Å; Y93-Y458 VanDerWaalsContact CE1-CE1 3.44Å; Y93-Y458 HydrophobicContact CE2-CE1 4.28Å; Y93-Y458 WeakPolarHBondContact CE2-OH 3.44Å; Y93-Y458 AromaticContact CZ-CE1 3.42Å; Y93-Y458 VanDerWaalsContact CZ-CE1 3.42Å; Y93-Y458 AromaticContact CZ-CZ 3.46Å; Y93-Y458 VanDerWaalsContact CZ-CZ 3.46Å; Y93-Y458 WeakPolarHBondContact OH-CE1 3.42Å; Y93-Y458 PolarHBondContact OH-OH 2.94Å; G308-Y458 VanDerWaalsContact CA-CE2 3.41Å; G308-Y458 VanDerWaalsContact CA-CZ 3.45Å; G308-Y458 WeakPolarHBondContact CA-OH 3.49Å; G308-Y458 PolarHBondContact O-OH 2.93Å; I309-Y458 HydrophobicContact CD1-CE1 4.46Å; I309-Y458 HydrophobicContact CG1-CE1 3.8Å; I309-Y458 PolarHBondContact N-OH 2.92Å; Y458-G460 VanDerWaalsContact C-N 3.33Å; Y458-E463 VanDerWaalsContact O-CB 3.27Å; Y458-E463 WeakPolarHBondContact O-CB 3.16Å; Y458-E463 WeakPolarHBondContact O-CG 3.32Å
459	G	51.2	Low	48.2	Very low	34 Å²	34	86.2 Å²	86.2	35%	0.351	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-0.1	-174.5	0	0	0	0	0	114.6	I457	I457-G459 PolarHBondContact O-N 3.34Å
460	G	55.2	Low	48.8	Very low	23 Å²	23	82 Å²	82	24%	0.237	43%	0.432	C	S	.	.	H	α-helix	trans	65	-154.2	175.4	0	0	0	0	0	113	I457 Y458 E462 E463 L464	I457-G460 PolarHBondContact O-N 3.38Å; Y458-G460 VanDerWaalsContact C-N 3.33Å; G460-E462 PolarHBondContact O-N 3.16Å; G460-E463 PolarHBondContact O-N 3.42Å; G460-L464 PolarHBondContact O-N 2.89Å
461	I	51.6	Low	49.2	Very low	103 Å²	103	77.1 Å²	77.1	53%	0.528	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-26.8	-175.1	-157.1	155.4	0	0	0	113	L464 C465	I461-L464 PolarHBondContact O-N 3.25Å; I461-C465 VanDerWaalsContact O-CB 3.31Å; I461-C465 WeakPolarHBondContact O-CB 3.37Å; I461-C465 PolarHBondContact O-N 3.32Å; I461-C465 PolarHBondContact O-SG 2.56Å
462	E	48	Very low	49.5	Very low	147 Å²	147	76.5 Å²	76.5	69%	0.687	40%	0.397	S	S	*	.	H	α-helix	trans	-67.7	-44.3	179.3	-66.4	-179.9	177.7	0	0	111.6	G460 C465 W466	G460-E462 PolarHBondContact O-N 3.16Å; E462-C465 PolarHBondContact O-N 3.5Å; E462-W466 WeakPolarHBondContact O-CB 3.3Å; E462-W466 PolarHBondContact O-N 3.35Å
463	E	50.4	Low	49.5	Very low	48 Å²	48	77.4 Å²	77.4	22%	0.224	40%	0.401	C	S	.	.	H	α-helix	trans	-67.1	-40.7	176.6	-167.2	73.7	-176.3	0	0	110.9	Y458 G460 W466 E467	Y458-E463 VanDerWaalsContact O-CB 3.27Å; Y458-E463 WeakPolarHBondContact O-CB 3.16Å; Y458-E463 WeakPolarHBondContact O-CG 3.32Å; G460-E463 PolarHBondContact O-N 3.42Å; E463-W466 WeakPolarHBondContact O-CB 3.4Å; E463-W466 PolarHBondContact O-N 3.25Å; E463-E467 WeakPolarHBondContact O-CB 3.28Å; E463-E467 WeakPolarHBondContact O-CG 3.25Å; E463-E467 PolarHBondContact O-N 3.5Å
464	L	54.3	Low	49.6	Very low	39 Å²	39	75.6 Å²	75.6	20%	0.204	39%	0.386	C	S	.	.	H	α-helix	trans	-60.3	-47.6	173.4	-179.4	65.9	0	0	0	111.1	I457 G460 I461 W466 E467 M468	I457-L464 HydrophobicContact CD1-CB 4.01Å; I457-L464 HydrophobicContact CD1-CD1 3.83Å; I457-L464 HydrophobicContact CD1-CD2 3.83Å; I457-L464 HydrophobicContact CD1-CG 4.08Å; I457-L464 HydrophobicContact CG2-CB 4.37Å; G460-L464 PolarHBondContact O-N 2.89Å; I461-L464 PolarHBondContact O-N 3.25Å; L464-W466 VanDerWaalsContact C-N 3.27Å; L464-W466 PolarHBondContact O-N 3.03Å; L464-E467 PolarHBondContact O-N 3.09Å; L464-M468 HydrophobicContact CD1-CG 4.12Å; L464-M468 HydrophobicContact CD1-SD 4.2Å; L464-M468 HydrophobicContact CD2-SD 4.35Å; L464-M468 HydrophobicContact CG-CG 4.26Å; L464-M468 HydrophobicContact CG-SD 3.92Å; L464-M468 VanDerWaalsContact O-CB 3.26Å; L464-M468 WeakPolarHBondContact O-CB 3.49Å; L464-M468 WeakPolarHBondContact O-CG 3.46Å; L464-M468 PolarHBondContact O-N 3.25Å
465	C	55.1	Low	49.6	Very low	71 Å²	71	74.7 Å²	74.7	48%	0.48	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-37.8	176.4	-74.6	0	0	0	0	111.7	I461 E462 H469	I461-C465 VanDerWaalsContact O-CB 3.31Å; I461-C465 WeakPolarHBondContact O-CB 3.37Å; I461-C465 PolarHBondContact O-N 3.32Å; I461-C465 PolarHBondContact O-SG 2.56Å; E462-C465 PolarHBondContact O-N 3.5Å; C465-H469 WeakPolarHBondContact O-CB 3.5Å; C465-H469 PolarHBondContact O-N 2.9Å
466	W	52	Low	49.5	Very low	166 Å²	166	75.7 Å²	75.7	63%	0.629	38%	0.38	S	S	*	.	H	α-helix	trans	-64.6	-49.2	174.6	-97.6	106	0	0	0	112.3	E462 E463 L464 H469 R470	E462-W466 WeakPolarHBondContact O-CB 3.3Å; E462-W466 PolarHBondContact O-N 3.35Å; E463-W466 WeakPolarHBondContact O-CB 3.4Å; E463-W466 PolarHBondContact O-N 3.25Å; L464-W466 VanDerWaalsContact C-N 3.27Å; L464-W466 PolarHBondContact O-N 3.03Å; W466-H469 PolarHBondContact O-N 2.68Å; W466-R470 VanDerWaalsContact O-CB 3.25Å; W466-R470 WeakPolarHBondContact O-CB 3.46Å; W466-R470 PolarHBondContact O-N 2.94Å
467	E	53	Low	49.3	Very low	28 Å²	28	74.1 Å²	74.1	13%	0.131	37%	0.372	C	S	.	.	H	α-helix	trans	-66.2	-38.7	178.3	-71.4	-67	119.4	0	0	111.7	L434 E463 L464 R470 G471	L434-E467 WeakPolarHBondContact CD2-O 2.99Å; E463-E467 WeakPolarHBondContact O-CB 3.28Å; E463-E467 WeakPolarHBondContact O-CG 3.25Å; E463-E467 PolarHBondContact O-N 3.5Å; L464-E467 PolarHBondContact O-N 3.09Å; E467-R470 VanDerWaalsContact CD-CZ 3.45Å; E467-R470 VanDerWaalsContact CD-NH1 3.26Å; E467-R470 WeakPolarHBondContact O-CB 3.43Å; E467-R470 PolarHBondContact O-N 2.87Å; E467-R470 IonicContact OE1-CZ 3.52Å; E467-R470 VanDerWaalsContact OE1-CZ 3.24Å; E467-R470 IonicContact OE1-NE 2.68Å; E467-R470 IonicContact OE1-NH1 2.77Å; E467-R470 PolarHBondContact OE1-NH1 3.28Å; E467-R470 IonicContact OE1-NH2 2.55Å; E467-R470 IonicContact OE2-CZ 3.32Å; E467-R470 IonicContact OE2-NE 3.14Å; E467-R470 IonicContact OE2-NH1 4Å; E467-R470 PolarHBondContact OE2-NH1 3.19Å; E467-R470 IonicContact OE2-NH2 3.36Å; E467-R470 PolarHBondContact OE2-NH2 3.41Å; E467-G471 PolarHBondContact O-N 3.35Å
468	M	53.8	Low	49.1	Very low	90 Å²	90	78.2 Å²	78.2	44%	0.443	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-44.5	172.6	-74.1	-178.2	74.3	0	0	111.6	L464 R470 G471 L472	L464-M468 HydrophobicContact CD1-CG 4.12Å; L464-M468 HydrophobicContact CD1-SD 4.2Å; L464-M468 HydrophobicContact CD2-SD 4.35Å; L464-M468 HydrophobicContact CG-CG 4.26Å; L464-M468 HydrophobicContact CG-SD 3.92Å; L464-M468 VanDerWaalsContact O-CB 3.26Å; L464-M468 WeakPolarHBondContact O-CB 3.49Å; L464-M468 WeakPolarHBondContact O-CG 3.46Å; L464-M468 PolarHBondContact O-N 3.25Å; M468-R470 VanDerWaalsContact C-N 3.27Å; M468-R470 PolarHBondContact O-N 3.26Å; M468-G471 PolarHBondContact O-N 3.02Å; M468-L472 WeakPolarHBondContact O-CB 3.49Å; M468-L472 PolarHBondContact O-N 3.33Å
469	H	53.4	Low	48.8	Very low	93 Å²	93	77.4 Å²	77.4	43%	0.431	39%	0.39	S	S	.	.	H	α-helix	trans	-65.8	-35.4	177.5	-167.5	22.7	0	0	0	111.2	C465 W466 K473	C465-H469 WeakPolarHBondContact O-CB 3.5Å; C465-H469 PolarHBondContact O-N 2.9Å; W466-H469 PolarHBondContact O-N 2.68Å; H469-K473 PolarHBondContact NE2-NZ 2.95Å; H469-K473 PolarHBondContact O-N 3.38Å; H469-K473 VanDerWaalsContact O-N 3.13Å
470	R	51	Low	48.2	Very low	45 Å²	45	81.7 Å²	81.7	17%	0.17	41%	0.405	C	S	.	.	H	α-helix	trans	-61	-50	171.7	-164.7	-175.5	82.1	-171.1	2	110.6	K433 W466 E467 M468 W474	K433-R470 PolarHBondContact O-NH2 3.34Å; W466-R470 VanDerWaalsContact O-CB 3.25Å; W466-R470 WeakPolarHBondContact O-CB 3.46Å; W466-R470 PolarHBondContact O-N 2.94Å; E467-R470 VanDerWaalsContact CD-CZ 3.45Å; E467-R470 VanDerWaalsContact CD-NH1 3.26Å; E467-R470 WeakPolarHBondContact O-CB 3.43Å; E467-R470 PolarHBondContact O-N 2.87Å; E467-R470 IonicContact OE1-CZ 3.52Å; E467-R470 VanDerWaalsContact OE1-CZ 3.24Å; E467-R470 IonicContact OE1-NE 2.68Å; E467-R470 IonicContact OE1-NH1 2.77Å; E467-R470 PolarHBondContact OE1-NH1 3.28Å; E467-R470 IonicContact OE1-NH2 2.55Å; E467-R470 IonicContact OE2-CZ 3.32Å; E467-R470 IonicContact OE2-NE 3.14Å; E467-R470 IonicContact OE2-NH1 4Å; E467-R470 PolarHBondContact OE2-NH1 3.19Å; E467-R470 IonicContact OE2-NH2 3.36Å; E467-R470 PolarHBondContact OE2-NH2 3.41Å; M468-R470 VanDerWaalsContact C-N 3.27Å; M468-R470 PolarHBondContact O-N 3.26Å; R470-W474 VanDerWaalsContact CD-CZ2 3.43Å; R470-W474 HydrophobicContact CG-CD2 4.17Å; R470-W474 VanDerWaalsContact CG-CE2 3.47Å; R470-W474 HydrophobicContact CG-CH2 4.07Å; R470-W474 HydrophobicContact CG-CZ2 3.43Å; R470-W474 VanDerWaalsContact CG-CZ2 3.43Å; R470-W474 VanDerWaalsContact NE-CZ2 3.32Å; R470-W474 PolarHBondContact O-N 2.96Å
471	G	46.2	Very low	47.4	Very low	18 Å²	18	82.9 Å²	82.9	19%	0.186	41%	0.41	C	S	.	.	H	α-helix	trans	-61.6	-44.9	177.5	0	0	0	0	0	114.2	E467 M468 W474 D475	E467-G471 PolarHBondContact O-N 3.35Å; M468-G471 PolarHBondContact O-N 3.02Å; G471-W474 WeakPolarHBondContact O-CB 3.14Å; G471-W474 PolarHBondContact O-N 2.84Å; G471-D475 PolarHBondContact O-N 2.91Å
472	L	49.4	Very low	46.8	Very low	90 Å²	90	82 Å²	82	47%	0.471	41%	0.406	S	S	.	.	H	α-helix	trans	-68.2	-37	-179.2	-84.4	158.1	0	0	0	113.4	M468 W474	M468-L472 WeakPolarHBondContact O-CB 3.49Å; M468-L472 PolarHBondContact O-N 3.33Å; L472-W474 VanDerWaalsContact C-N 3.29Å
473	K	46.1	Very low	46.3	Very low	115 Å²	115	81.3 Å²	81.3	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-29.3	173.6	-97	176.3	172.1	158	0	112.3	H469 N477	H469-K473 PolarHBondContact NE2-NZ 2.95Å; H469-K473 PolarHBondContact O-N 3.38Å; H469-K473 VanDerWaalsContact O-N 3.13Å; K473-N477 PolarHBondContact O-N 3.14Å
474	W	47.5	Very low	45.5	Very low	63 Å²	63	84.6 Å²	84.6	24%	0.239	43%	0.426	C	S	.	.	H	α-helix	trans	-68.3	-38.4	-179.5	-71.5	-4	0	0	0	112.6	A56 R470 G471 L472 Y478	A56-W474 HydrophobicContact CB-CH2 4.06Å; R470-W474 VanDerWaalsContact CD-CZ2 3.43Å; R470-W474 HydrophobicContact CG-CD2 4.17Å; R470-W474 VanDerWaalsContact CG-CE2 3.47Å; R470-W474 HydrophobicContact CG-CH2 4.07Å; R470-W474 HydrophobicContact CG-CZ2 3.43Å; R470-W474 VanDerWaalsContact CG-CZ2 3.43Å; R470-W474 VanDerWaalsContact NE-CZ2 3.32Å; R470-W474 PolarHBondContact O-N 2.96Å; G471-W474 WeakPolarHBondContact O-CB 3.14Å; G471-W474 PolarHBondContact O-N 2.84Å; L472-W474 VanDerWaalsContact C-N 3.29Å; W474-Y478 WeakPolarHBondContact O-CB 3.31Å; W474-Y478 PolarHBondContact O-N 2.76Å
475	D	43.7	Very low	45	Very low	71 Å²	71	88.4 Å²	88.4	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-74.8	-38.9	177.6	-81.7	-19.5	0	0	0	112.4	K433 G471 T479	K433-D475 IonicContact NZ-OD1 3.65Å; G471-D475 PolarHBondContact O-N 2.91Å; D475-T479 HydrophobicContact CB-CG2 4.45Å; D475-T479 WeakPolarHBondContact O-CB 3.47Å; D475-T479 VanDerWaalsContact O-CG2 3.25Å; D475-T479 WeakPolarHBondContact O-CG2 3.22Å; D475-T479 PolarHBondContact O-N 2.91Å; D475-T479 PolarHBondContact O-OG1 3.37Å
476	I	41.5	Very low	44.2	Very low	109 Å²	109	89.5 Å²	89.5	56%	0.559	46%	0.464	S	S	*	.	H	α-helix	trans	-75.8	-34	-172.1	-62.4	168.3	0	0	0	112.9	N480	I476-N480 PolarHBondContact O-ND2 3.35Å
477	N	40.9	Very low	43.5	Very low	99 Å²	99	82.7 Å²	82.7	53%	0.529	44%	0.444	S	S	.	.	H	α-helix	trans	-95.1	-26.7	-174.8	-70.2	-20.7	0	0	0	114.2	K473	K473-N477 PolarHBondContact O-N 3.14Å
478	Y	41.7	Very low	42.7	Very low	110 Å²	110	87.9 Å²	87.9	43%	0.431	47%	0.466	S	S	.	.	H	α-helix	trans	-99.2	-31.8	-175.9	-108.8	-97.9	0	0	0	113.5	L53 W474 S481 L482	L53-Y478 HydrophobicContact CD1-CE2 3.73Å; L53-Y478 WeakPolarHBondContact CD1-OH 3.45Å; W474-Y478 WeakPolarHBondContact O-CB 3.31Å; W474-Y478 PolarHBondContact O-N 2.76Å; Y478-S481 PolarHBondContact O-N 2.8Å; Y478-L482 HydrophobicContact CD1-CD1 3.58Å; Y478-L482 HydrophobicContact CE1-CD1 3.99Å; Y478-L482 WeakPolarHBondContact O-CD1 3.49Å; Y478-L482 PolarHBondContact O-N 2.77Å
479	T	39.3	Very low	41.8	Very low	63 Å²	63	89.4 Å²	89.4	39%	0.387	48%	0.476	S	S	.	.	H	α-helix	trans	-73.1	-32	-178.8	67.4	0	0	0	0	112.7	D475 S481 N483	D475-T479 HydrophobicContact CB-CG2 4.45Å; D475-T479 WeakPolarHBondContact O-CB 3.47Å; D475-T479 VanDerWaalsContact O-CG2 3.25Å; D475-T479 WeakPolarHBondContact O-CG2 3.22Å; D475-T479 PolarHBondContact O-N 2.91Å; D475-T479 PolarHBondContact O-OG1 3.37Å; T479-S481 VanDerWaalsContact C-N 3.34Å; T479-S481 PolarHBondContact O-N 2.68Å; T479-N483 PolarHBondContact O-ND2 3.29Å
480	N	37.8	Very low	40.9	Very low	124 Å²	124	89.7 Å²	89.7	66%	0.663	48%	0.481	S	S	*	.	H	α-helix	trans	-76.8	-18	176.6	-73	-37.4	0	0	0	113.7	I476	I476-N480 PolarHBondContact O-ND2 3.35Å
481	S	39.1	Very low	40.2	Very low	48 Å²	48	91.8 Å²	91.8	34%	0.336	49%	0.492	S	S	.	.	H	α-helix	trans	-94.2	-31	-179.6	173.3	0	0	0	0	113.2	Y478 T479	Y478-S481 PolarHBondContact O-N 2.8Å; T479-S481 VanDerWaalsContact C-N 3.34Å; T479-S481 PolarHBondContact O-N 2.68Å
482	L	37.7	Very low	39.9	Very low	84 Å²	84	99.7 Å²	99.7	44%	0.44	52%	0.516	S	S	.	.	H	α-helix	trans	-84.9	-16.7	-177.9	-95.4	87	0	0	0	115.5	Y478 N484	Y478-L482 HydrophobicContact CD1-CD1 3.58Å; Y478-L482 HydrophobicContact CE1-CD1 3.99Å; Y478-L482 WeakPolarHBondContact O-CD1 3.49Å; Y478-L482 PolarHBondContact O-N 2.77Å; L482-N484 VanDerWaalsContact C-N 3.26Å; L482-N484 PolarHBondContact O-N 2.76Å
483	N	37.6	Very low	39.3	Very low	134 Å²	134	104.4 Å²	104.4	72%	0.717	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.6	-174.3	-76.5	-14.3	0	0	0	114.6	T479	T479-N483 PolarHBondContact O-ND2 3.29Å
484	N	35.1	Very low	38.9	Very low	116 Å²	116	105.6 Å²	105.6	62%	0.62	54%	0.537	S	S	*	.			trans	-106.2	105.6	169.7	-77.8	-23.7	0	0	0	110.1	L482 S486 A487	L482-N484 VanDerWaalsContact C-N 3.26Å; L482-N484 PolarHBondContact O-N 2.76Å; N484-S486 PolarHBondContact O-N 2.99Å; N484-A487 HydrophobicContact CB-CB 4.47Å; N484-A487 PolarHBondContact O-N 2.86Å
485	S	42.9	Very low	38.8	Very low	119 Å²	119	105.9 Å²	105.9	83%	0.832	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.7	-176.7	56.1	0	0	0	0	114.8
486	S	37.9	Very low	39.1	Very low	94 Å²	94	107.1 Å²	107.1	66%	0.657	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.8	175.2	-172.4	0	0	0	0	114.3	N484	N484-S486 PolarHBondContact O-N 2.99Å
487	A	38	Very low	39.7	Very low	24 Å²	24	109.1 Å²	109.1	20%	0.198	56%	0.561	C	S	.	*	H	α-helix	trans	-89.3	-10.2	-168.7	0	0	0	0	0	114.7	N484 D489 H491	N484-A487 HydrophobicContact CB-CB 4.47Å; N484-A487 PolarHBondContact O-N 2.86Å; A487-D489 PolarHBondContact O-N 2.68Å; A487-H491 WeakPolarHBondContact O-CB 3.22Å; A487-H491 PolarHBondContact O-CD2 3.4Å; A487-H491 VanDerWaalsContact O-CD2 3.24Å; A487-H491 PolarHBondContact O-N 3.32Å
488	K	36.8	Very low	40.9	Very low	136 Å²	136	106.9 Å²	106.9	59%	0.591	55%	0.547	S	S	*	.	H	α-helix	trans	-68	-33.7	-177.3	-74.1	-176.8	178.4	176.9	0	113.2
489	D	34.5	Very low	42.1	Very low	123 Å²	123	102.6 Å²	102.6	66%	0.658	53%	0.53	S	S	*	.	H	α-helix	trans	-83.4	-35.4	178.3	-76.1	-28.3	0	0	0	112.5	A487 R492 R493	A487-D489 PolarHBondContact O-N 2.68Å; D489-R492 PolarHBondContact O-N 3.2Å; D489-R493 PolarHBondContact O-N 2.78Å
490	D	34.4	Very low	43.9	Very low	99 Å²	99	101.9 Å²	101.9	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-36.3	176.4	-77.7	-21.1	0	0	0	112.2	R493 M494	D490-R493 PolarHBondContact O-N 2.95Å; D490-M494 WeakPolarHBondContact O-CB 3.46Å; D490-M494 PolarHBondContact O-N 3.33Å
491	H	36.9	Very low	46	Very low	88 Å²	88	103.4 Å²	103.4	41%	0.407	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-36.3	174.5	-84.9	-62.1	0	0	0	112.7	A487 R493 M494 L495	A487-H491 WeakPolarHBondContact O-CB 3.22Å; A487-H491 PolarHBondContact O-CD2 3.4Å; A487-H491 VanDerWaalsContact O-CD2 3.24Å; A487-H491 PolarHBondContact O-N 3.32Å; H491-R493 VanDerWaalsContact C-N 3.31Å; H491-R493 PolarHBondContact O-N 2.98Å; H491-M494 PolarHBondContact O-N 3.21Å; H491-L495 HydrophobicContact CB-CD1 4.43Å; H491-L495 VanDerWaalsContact O-CB 3.27Å; H491-L495 WeakPolarHBondContact O-CB 3.45Å; H491-L495 VanDerWaalsContact O-CD1 3.26Å; H491-L495 WeakPolarHBondContact O-CD1 3.27Å; H491-L495 PolarHBondContact O-N 3.25Å
492	R	38.4	Very low	48	Very low	184 Å²	184	104.9 Å²	104.9	69%	0.694	53%	0.526	S	S	*	.	H	α-helix	trans	-61.9	-39	173.1	-91.1	-177	172.2	-173.3	-2.8	112.2	D489 N496	D489-R492 PolarHBondContact O-N 3.2Å; R492-N496 WeakPolarHBondContact O-CB 3.44Å; R492-N496 PolarHBondContact O-N 2.98Å; R492-N496 VanDerWaalsContact O-N 3.11Å; R492-N496 PolarHBondContact O-ND2 3.24Å; R492-N496 PolarHBondContact O-OD1 2.92Å
493	R	38	Very low	50.1	Low	190 Å²	190	101.4 Å²	101.4	72%	0.717	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-46.3	175.9	-73.5	-175.5	175.7	-152.2	-0.2	112.5	D489 D490 H491 L495 N496 D497	D489-R493 PolarHBondContact O-N 2.78Å; D490-R493 PolarHBondContact O-N 2.95Å; H491-R493 VanDerWaalsContact C-N 3.31Å; H491-R493 PolarHBondContact O-N 2.98Å; R493-L495 VanDerWaalsContact C-N 3.32Å; R493-L495 PolarHBondContact O-N 3.14Å; R493-N496 PolarHBondContact O-N 2.85Å; R493-D497 PolarHBondContact O-N 3.38Å
494	M	37.9	Very low	52.1	Low	140 Å²	140	97.9 Å²	97.9	69%	0.69	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-34.4	177.7	-81.9	-150.8	74.5	0	0	113.5	D490 H491	D490-M494 WeakPolarHBondContact O-CB 3.46Å; D490-M494 PolarHBondContact O-N 3.33Å; H491-M494 PolarHBondContact O-N 3.21Å
495	L	44.8	Very low	54.5	Low	69 Å²	69	96.6 Å²	96.6	36%	0.361	48%	0.479	S	S	.	.	H	α-helix	trans	-70.6	-42	173.8	-88.6	137.3	0	0	0	110.9	H491 R493 D497 F498 W499	H491-L495 HydrophobicContact CB-CD1 4.43Å; H491-L495 VanDerWaalsContact O-CB 3.27Å; H491-L495 WeakPolarHBondContact O-CB 3.45Å; H491-L495 VanDerWaalsContact O-CD1 3.26Å; H491-L495 WeakPolarHBondContact O-CD1 3.27Å; H491-L495 PolarHBondContact O-N 3.25Å; R493-L495 VanDerWaalsContact C-N 3.32Å; R493-L495 PolarHBondContact O-N 3.14Å; L495-D497 VanDerWaalsContact C-N 3.29Å; L495-D497 PolarHBondContact O-N 3.05Å; L495-F498 PolarHBondContact O-N 2.93Å; L495-W499 HydrophobicContact CD2-CZ2 3.5Å; L495-W499 VanDerWaalsContact CD2-CZ2 3.5Å; L495-W499 VanDerWaalsContact CD2-NE1 3.35Å; L495-W499 PolarHBondContact O-N 3.03Å; L495-W499 PolarHBondContact O-NE1 3.49Å
496	N	49.7	Very low	56.6	Low	96 Å²	96	91.8 Å²	91.8	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-31.3	-178.9	-76.8	-4.9	0	0	0	113.9	R492 R493 F498	R492-N496 WeakPolarHBondContact O-CB 3.44Å; R492-N496 PolarHBondContact O-N 2.98Å; R492-N496 VanDerWaalsContact O-N 3.11Å; R492-N496 PolarHBondContact O-ND2 3.24Å; R492-N496 PolarHBondContact O-OD1 2.92Å; R493-N496 PolarHBondContact O-N 2.85Å; N496-F498 VanDerWaalsContact C-N 3.32Å
497	D	55.2	Low	58.8	Low	152 Å²	152	88.4 Å²	88.4	81%	0.813	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.1	175.1	-71.7	-14.3	0	0	0	113.1	R493 L495	R493-D497 PolarHBondContact O-N 3.38Å; L495-D497 VanDerWaalsContact C-N 3.29Å; L495-D497 PolarHBondContact O-N 3.05Å
498	F	64.4	Low	61.1	Low	51 Å²	51	93.5 Å²	93.5	22%	0.224	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-30.8	-175.7	-168.3	-113	0	0	0	112.9	E39 L42 R43 L46 L495 N496	E39-F498 HydrophobicContact CG-CE2 4.14Å; E39-F498 HydrophobicContact CG-CZ 4.38Å; L42-F498 HydrophobicContact CB-CZ 4.2Å; L42-F498 HydrophobicContact CD2-CE1 4.39Å; L42-F498 HydrophobicContact CD2-CE2 4.34Å; L42-F498 HydrophobicContact CD2-CZ 3.64Å; L42-F498 HydrophobicContact CG-CE1 4.15Å; L42-F498 HydrophobicContact CG-CZ 3.77Å; R43-F498 HydrophobicContact CB-CE1 4.25Å; R43-F498 WeakPolarHBondContact CD-O 3.36Å; R43-F498 HydrophobicContact CG-CD1 3.75Å; R43-F498 HydrophobicContact CG-CE1 3.21Å; R43-F498 HydrophobicContact CG-CE2 4.49Å; R43-F498 HydrophobicContact CG-CZ 3.62Å; R43-F498 PolarHBondContact NH1-O 3.18Å; L46-F498 HydrophobicContact CD1-CD1 4.03Å; L46-F498 HydrophobicContact CD1-CE1 3.65Å; L495-F498 PolarHBondContact O-N 2.93Å; N496-F498 VanDerWaalsContact C-N 3.32Å
499	W	68.8	Low	63.6	Low	21 Å²	21	90.5 Å²	90.5	8%	0.08	43%	0.425	C	S	.	.	S	Bend	trans	-80.3	134.8	-176.2	-61.3	120.3	0	0	0	112.3	R43 L46 L47 L495 E503 L504 I507	R43-W499 HydrophobicContact CB-CZ3 4.28Å; L46-W499 HydrophobicContact CB-CH2 3.65Å; L46-W499 HydrophobicContact CB-CZ2 4.36Å; L46-W499 HydrophobicContact CB-CZ3 4.45Å; L47-W499 HydrophobicContact CB-CH2 3.98Å; L47-W499 HydrophobicContact CB-CZ3 3.87Å; L47-W499 HydrophobicContact CD1-CH2 4.46Å; L495-W499 HydrophobicContact CD2-CZ2 3.5Å; L495-W499 VanDerWaalsContact CD2-CZ2 3.5Å; L495-W499 VanDerWaalsContact CD2-NE1 3.35Å; L495-W499 PolarHBondContact O-N 3.03Å; L495-W499 PolarHBondContact O-NE1 3.49Å; W499-E503 HydrophobicContact CB-CB 4.07Å; W499-E503 HydrophobicContact CD2-CB 4.33Å; W499-E503 HydrophobicContact CE3-CB 3.75Å; W499-E503 HydrophobicContact CE3-CG 4.29Å; W499-E503 HydrophobicContact CG-CB 4.49Å; W499-L504 HydrophobicContact CB-CD1 4.46Å; W499-L504 HydrophobicContact CB-CD2 3.59Å; W499-L504 HydrophobicContact CB-CG 3.59Å; W499-L504 HydrophobicContact CG-CD2 3.99Å; W499-L504 HydrophobicContact CG-CG 4.47Å; W499-I507 HydrophobicContact CD2-CD1 3.71Å; W499-I507 VanDerWaalsContact CE2-CD1 3.45Å; W499-I507 HydrophobicContact CE3-CD1 4.4Å; W499-I507 HydrophobicContact CG-CD1 3.88Å; W499-I507 HydrophobicContact CZ2-CD1 3.95Å
500	D	76.6	Confident	66.1	Low	47 Å²	47	84.6 Å²	84.6	25%	0.251	39%	0.394	S	S	.	.			trans	-67	158.4	165.4	-70.8	-23.7	0	0	0	109.8	K30 R43 E502 E503 L504	K30-D500 IonicContact NZ-OD2 2.76Å; R43-D500 VanDerWaalsContact CZ-CG 3.47Å; R43-D500 IonicContact CZ-OD1 2.74Å; R43-D500 VanDerWaalsContact CZ-OD1 3.32Å; R43-D500 IonicContact CZ-OD2 2.88Å; R43-D500 IonicContact NE-OD2 2.77Å; R43-D500 IonicContact NH1-OD1 3.8Å; R43-D500 PolarHBondContact NH1-OD1 3.13Å; R43-D500 IonicContact NH2-OD1 3.03Å; R43-D500 PolarHBondContact NH2-OD1 2.85Å; R43-D500 VanDerWaalsContact NH2-OD1 3.14Å; R43-D500 IonicContact NH2-OD2 3.63Å; R43-D500 PolarHBondContact NH2-OD2 3.28Å; D500-E502 PolarHBondContact O-N 3.41Å; D500-E502 VanDerWaalsContact O-N 3.11Å; D500-E503 PolarHBondContact N-OE2 3.4Å; D500-E503 WeakPolarHBondContact O-CA 3.46Å; D500-E503 WeakPolarHBondContact O-CB 3.37Å; D500-E503 PolarHBondContact O-N 3.39Å; D500-L504 PolarHBondContact O-N 2.84Å
501	K	81.3	Confident	68.5	Low	156 Å²	156	82.1 Å²	82.1	68%	0.678	38%	0.381	S	S	*	.	H	α-helix	trans	-48.2	-44.7	-180	-168	-170.6	-179.1	-117.9	0	113.5	E503 L504 E505	K501-E503 VanDerWaalsContact C-N 3.31Å; K501-E503 PolarHBondContact O-N 2.89Å; K501-L504 PolarHBondContact O-N 3.48Å; K501-E505 WeakPolarHBondContact CE-OE1 3.29Å; K501-E505 IonicContact NZ-OE1 2.71Å; K501-E505 PolarHBondContact NZ-OE1 3.11Å; K501-E505 VanDerWaalsContact O-CG 3.3Å; K501-E505 WeakPolarHBondContact O-CG 3.46Å; K501-E505 PolarHBondContact O-N 3.37Å
502	E	80.3	Confident	70.9	Confident	79 Å²	79	81.2 Å²	81.2	37%	0.369	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-34.7	178.2	-73.1	164.1	-141.1	0	0	113	K30 D500 L506	K30-E502 WeakPolarHBondContact CD-OE1 3.02Å; K30-E502 WeakPolarHBondContact CD-OE2 3.18Å; K30-E502 IonicContact NZ-OE1 2.78Å; K30-E502 PolarHBondContact NZ-OE1 3.09Å; K30-E502 IonicContact NZ-OE2 2.86Å; K30-E502 PolarHBondContact NZ-OE2 2.8Å; D500-E502 PolarHBondContact O-N 3.41Å; D500-E502 VanDerWaalsContact O-N 3.11Å; E502-L506 VanDerWaalsContact O-CB 3.29Å; E502-L506 WeakPolarHBondContact O-CB 3.23Å; E502-L506 WeakPolarHBondContact O-CD1 3.44Å; E502-L506 WeakPolarHBondContact O-CG 3.26Å; E502-L506 PolarHBondContact O-N 2.9Å
503	E	82.2	Confident	73	Confident	11 Å²	11	73.3 Å²	73.3	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-76	-34.4	179.9	-64.5	161.7	159.4	0	0	110.5	R43 L47 W499 D500 K501 L506 I507	R43-E503 WeakPolarHBondContact CD-OE2 3.48Å; R43-E503 IonicContact NE-OE1 3.69Å; R43-E503 IonicContact NE-OE2 3.69Å; R43-E503 PolarHBondContact NE-OE2 2.94Å; L47-E503 HydrophobicContact CD2-CG 4.34Å; W499-E503 HydrophobicContact CB-CB 4.07Å; W499-E503 HydrophobicContact CD2-CB 4.33Å; W499-E503 HydrophobicContact CE3-CB 3.75Å; W499-E503 HydrophobicContact CE3-CG 4.29Å; W499-E503 HydrophobicContact CG-CB 4.49Å; D500-E503 PolarHBondContact N-OE2 3.4Å; D500-E503 WeakPolarHBondContact O-CA 3.46Å; D500-E503 WeakPolarHBondContact O-CB 3.37Å; D500-E503 PolarHBondContact O-N 3.39Å; K501-E503 VanDerWaalsContact C-N 3.31Å; K501-E503 PolarHBondContact O-N 2.89Å; E503-L506 VanDerWaalsContact O-CB 3.27Å; E503-L506 WeakPolarHBondContact O-CB 3.12Å; E503-L506 PolarHBondContact O-N 2.9Å; E503-I507 WeakPolarHBondContact O-CD1 3.47Å; E503-I507 VanDerWaalsContact O-CG1 3.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.06Å; E503-I507 PolarHBondContact O-N 2.88Å
504	L	80.9	Confident	75	Confident	60 Å²	60	65.8 Å²	65.8	31%	0.314	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-46.6	169.5	-69.4	174.1	0	0	0	111.9	W499 D500 K501 L506 I507 E508	W499-L504 HydrophobicContact CB-CD1 4.46Å; W499-L504 HydrophobicContact CB-CD2 3.59Å; W499-L504 HydrophobicContact CB-CG 3.59Å; W499-L504 HydrophobicContact CG-CD2 3.99Å; W499-L504 HydrophobicContact CG-CG 4.47Å; D500-L504 PolarHBondContact O-N 2.84Å; K501-L504 PolarHBondContact O-N 3.48Å; L504-L506 PolarHBondContact O-N 3.39Å; L504-I507 PolarHBondContact O-N 3.32Å; L504-I507 VanDerWaalsContact O-N 3.11Å; L504-E508 WeakPolarHBondContact O-CB 3.27Å; L504-E508 PolarHBondContact O-N 3.04Å
505	E	85.7	Confident	76.7	Confident	90 Å²	90	65.5 Å²	65.5	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-58.3	-39.7	175	-73.6	171.1	-172.5	0	0	110.8	K501 E508 E509	K501-E505 WeakPolarHBondContact CE-OE1 3.29Å; K501-E505 IonicContact NZ-OE1 2.71Å; K501-E505 PolarHBondContact NZ-OE1 3.11Å; K501-E505 VanDerWaalsContact O-CG 3.3Å; K501-E505 WeakPolarHBondContact O-CG 3.46Å; K501-E505 PolarHBondContact O-N 3.37Å; E505-E508 PolarHBondContact O-N 3.32Å; E505-E509 WeakPolarHBondContact O-CB 3.45Å; E505-E509 PolarHBondContact O-N 3.35Å
506	L	85.8	Confident	77.8	Confident	17 Å²	17	66.5 Å²	66.5	9%	0.089	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-46.4	172.2	-98.1	159.5	0	0	0	113.3	L47 F51 E502 E503 L504 E508 E509 I510	L47-L506 HydrophobicContact CD2-CD1 4.2Å; F51-L506 HydrophobicContact CZ-CD2 4.25Å; E502-L506 VanDerWaalsContact O-CB 3.29Å; E502-L506 WeakPolarHBondContact O-CB 3.23Å; E502-L506 WeakPolarHBondContact O-CD1 3.44Å; E502-L506 WeakPolarHBondContact O-CG 3.26Å; E502-L506 PolarHBondContact O-N 2.9Å; E503-L506 VanDerWaalsContact O-CB 3.27Å; E503-L506 WeakPolarHBondContact O-CB 3.12Å; E503-L506 PolarHBondContact O-N 2.9Å; L504-L506 PolarHBondContact O-N 3.39Å; L506-E508 VanDerWaalsContact C-N 3.32Å; L506-E509 PolarHBondContact O-N 3.37Å; L506-I510 WeakPolarHBondContact O-CD1 3.27Å; L506-I510 WeakPolarHBondContact O-CG1 3.26Å; L506-I510 PolarHBondContact O-N 2.82Å
507	I	84.6	Confident	77.8	Confident	24 Å²	24	69 Å²	69	12%	0.123	34%	0.342	C	S	.	.	H	α-helix	trans	-66.8	-38.9	179.2	-71.8	163.7	0	0	0	110.4	L47 Y50 W499 E503 L504 I510 N511	L47-I507 HydrophobicContact CD1-CD1 4.42Å; L47-I507 HydrophobicContact CD1-CG1 4.04Å; Y50-I507 HydrophobicContact CD1-CG1 4.42Å; Y50-I507 HydrophobicContact CE1-CG1 4.22Å; Y50-I507 HydrophobicContact CE1-CG2 4.25Å; W499-I507 HydrophobicContact CD2-CD1 3.71Å; W499-I507 VanDerWaalsContact CE2-CD1 3.45Å; W499-I507 HydrophobicContact CE3-CD1 4.4Å; W499-I507 HydrophobicContact CG-CD1 3.88Å; W499-I507 HydrophobicContact CZ2-CD1 3.95Å; E503-I507 WeakPolarHBondContact O-CD1 3.47Å; E503-I507 VanDerWaalsContact O-CG1 3.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.06Å; E503-I507 PolarHBondContact O-N 2.88Å; L504-I507 PolarHBondContact O-N 3.32Å; L504-I507 VanDerWaalsContact O-N 3.11Å; I507-I510 PolarHBondContact O-N 3.31Å; I507-N511 WeakPolarHBondContact O-CB 3.23Å; I507-N511 PolarHBondContact O-N 3Å; I507-N511 PolarHBondContact O-ND2 3.11Å; I507-N511 VanDerWaalsContact O-ND2 3.08Å
508	E	86.8	Confident	77.4	Confident	130 Å²	130	68 Å²	68	61%	0.607	34%	0.337	S	S	*	.	H	α-helix	trans	-61.9	-48.2	173.5	-170.5	175	-173.2	0	0	110.8	L504 E505 L506 I510 N511 T512	L504-E508 WeakPolarHBondContact O-CB 3.27Å; L504-E508 PolarHBondContact O-N 3.04Å; E505-E508 PolarHBondContact O-N 3.32Å; L506-E508 VanDerWaalsContact C-N 3.32Å; E508-I510 VanDerWaalsContact C-N 3.32Å; E508-I510 PolarHBondContact O-N 3.35Å; E508-N511 CarbonylContact O-C 3.54Å; E508-N511 WeakPolarHBondContact O-CA 3.47Å; E508-N511 WeakPolarHBondContact O-CB 3.33Å; E508-N511 PolarHBondContact O-N 3.43Å; E508-T512 WeakPolarHBondContact O-CG2 3.46Å; E508-T512 PolarHBondContact O-N 3.02Å
509	E	87.8	Confident	76.3	Confident	73 Å²	73	72.7 Å²	72.7	34%	0.341	36%	0.364	S	S	.	.	H	α-helix	trans	-58.1	-40.8	174.4	-173.1	-171	167.4	0	0	112.3	R70 E505 L506 N511 T512 I513	R70-E509 WeakPolarHBondContact CD-OE1 3.22Å; R70-E509 IonicContact CZ-OE1 3.72Å; R70-E509 IonicContact CZ-OE2 3.24Å; R70-E509 VanDerWaalsContact CZ-OE2 3.24Å; R70-E509 IonicContact NE-OE1 3.49Å; R70-E509 PolarHBondContact NE-OE1 3.27Å; R70-E509 IonicContact NE-OE2 2.77Å; R70-E509 PolarHBondContact NE-OE2 3.36Å; R70-E509 IonicContact NH2-OE2 2.82Å; R70-E509 PolarHBondContact NH2-OE2 2.93Å; E505-E509 WeakPolarHBondContact O-CB 3.45Å; E505-E509 PolarHBondContact O-N 3.35Å; L506-E509 PolarHBondContact O-N 3.37Å; E509-N511 VanDerWaalsContact C-N 3.33Å; E509-N511 PolarHBondContact O-N 2.86Å; E509-T512 WeakPolarHBondContact CA-OG1 3.32Å; E509-T512 PolarHBondContact O-N 3.42Å; E509-T512 PolarHBondContact O-OG1 2.97Å; E509-I513 HydrophobicContact CG-CD1 4.41Å; E509-I513 WeakPolarHBondContact O-CD1 3.48Å; E509-I513 VanDerWaalsContact O-CG1 3.27Å; E509-I513 WeakPolarHBondContact O-CG1 3.48Å; E509-I513 PolarHBondContact O-N 3.01Å; E509-I513 VanDerWaalsContact O-N 3.09Å
510	I	86.9	Confident	75.2	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-43.1	174.5	-68.6	161.9	0	0	0	110.1	Y50 F51 K54 L67 L506 I507 E508 T512 I513 L514	Y50-I510 HydrophobicContact CD1-CD1 3.89Å; Y50-I510 HydrophobicContact CE1-CB 4.18Å; Y50-I510 HydrophobicContact CE1-CD1 3.82Å; Y50-I510 HydrophobicContact CE1-CG2 3.77Å; F51-I510 HydrophobicContact CD1-CD1 3.92Å; F51-I510 HydrophobicContact CD1-CG1 4.49Å; F51-I510 HydrophobicContact CE1-CD1 3.4Å; F51-I510 HydrophobicContact CE1-CG1 3.82Å; F51-I510 HydrophobicContact CE2-CD1 4.17Å; F51-I510 HydrophobicContact CZ-CD1 3.54Å; F51-I510 HydrophobicContact CZ-CG1 4.25Å; K54-I510 HydrophobicContact CG-CG2 4.24Å; L67-I510 HydrophobicContact CD1-CB 4.4Å; L67-I510 HydrophobicContact CD1-CG1 3.96Å; L67-I510 HydrophobicContact CD1-CG2 3.82Å; L506-I510 WeakPolarHBondContact O-CD1 3.27Å; L506-I510 WeakPolarHBondContact O-CG1 3.26Å; L506-I510 PolarHBondContact O-N 2.82Å; I507-I510 PolarHBondContact O-N 3.31Å; E508-I510 VanDerWaalsContact C-N 3.32Å; E508-I510 PolarHBondContact O-N 3.35Å; I510-T512 VanDerWaalsContact C-N 3.35Å; I510-I513 PolarHBondContact O-N 3.09Å; I510-L514 HydrophobicContact CG2-CD1 4.02Å; I510-L514 VanDerWaalsContact O-CG 3.23Å; I510-L514 WeakPolarHBondContact O-CG 3.42Å; I510-L514 PolarHBondContact O-N 2.89Å; I510-L514 VanDerWaalsContact O-N 3.14Å
511	N	85.9	Confident	73.2	Confident	47 Å²	47	81.4 Å²	81.4	25%	0.251	41%	0.412	S	S	.	.	H	α-helix	trans	-67.2	-35.3	179.2	-69.8	-33.3	0	0	0	111.9	Y50 I507 E508 E509 L514 H515	Y50-N511 PolarHBondContact OH-OD1 2.55Å; I507-N511 WeakPolarHBondContact O-CB 3.23Å; I507-N511 PolarHBondContact O-N 3Å; I507-N511 PolarHBondContact O-ND2 3.11Å; I507-N511 VanDerWaalsContact O-ND2 3.08Å; E508-N511 CarbonylContact O-C 3.54Å; E508-N511 WeakPolarHBondContact O-CA 3.47Å; E508-N511 WeakPolarHBondContact O-CB 3.33Å; E508-N511 PolarHBondContact O-N 3.43Å; E509-N511 VanDerWaalsContact C-N 3.33Å; E509-N511 PolarHBondContact O-N 2.86Å; N511-L514 PolarHBondContact O-N 2.84Å; N511-H515 VanDerWaalsContact O-CB 3.32Å; N511-H515 WeakPolarHBondContact O-CB 3.35Å; N511-H515 PolarHBondContact O-CD2 3.05Å; N511-H515 PolarHBondContact O-N 2.88Å
512	T	87.3	Confident	70.9	Confident	69 Å²	69	77.9 Å²	77.9	42%	0.423	42%	0.421	S	S	.	.	H	α-helix	trans	-65	-44	174.6	58.4	0	0	0	0	111.3	E508 E509 I510 L514 H515 D516	E508-T512 WeakPolarHBondContact O-CG2 3.46Å; E508-T512 PolarHBondContact O-N 3.02Å; E509-T512 WeakPolarHBondContact CA-OG1 3.32Å; E509-T512 PolarHBondContact O-N 3.42Å; E509-T512 PolarHBondContact O-OG1 2.97Å; I510-T512 VanDerWaalsContact C-N 3.35Å; T512-L514 PolarHBondContact O-N 3.18Å; T512-H515 PolarHBondContact O-N 3.37Å; T512-D516 PolarHBondContact O-N 3.08Å
513	I	81.7	Confident	68.5	Low	18 Å²	18	79.3 Å²	79.3	9%	0.092	44%	0.435	C	S	.	.	H	α-helix	trans	-56.9	-36.5	174.4	-66.7	164.9	0	0	0	111.4	Q66 E509 I510	Q66-I513 HydrophobicContact CB-CG2 3.93Å; E509-I513 HydrophobicContact CG-CD1 4.41Å; E509-I513 WeakPolarHBondContact O-CD1 3.48Å; E509-I513 VanDerWaalsContact O-CG1 3.27Å; E509-I513 WeakPolarHBondContact O-CG1 3.48Å; E509-I513 PolarHBondContact O-N 3.01Å; E509-I513 VanDerWaalsContact O-N 3.09Å; I510-I513 PolarHBondContact O-N 3.09Å
514	L	81.1	Confident	66	Low	32 Å²	32	84.1 Å²	84.1	17%	0.168	47%	0.465	C	S	.	.	H	α-helix	trans	-78.3	-35.7	179.5	-64.4	172.1	0	0	0	113.2	K54 L58 I510 N511 T512	K54-L514 HydrophobicContact CD-CD1 3.65Å; K54-L514 HydrophobicContact CG-CD1 4.16Å; L58-L514 HydrophobicContact CD1-CD2 3.41Å; L58-L514 VanDerWaalsContact CD1-CD2 3.41Å; L58-L514 HydrophobicContact CD2-CD2 3.74Å; L58-L514 HydrophobicContact CG-CD2 3.98Å; I510-L514 HydrophobicContact CG2-CD1 4.02Å; I510-L514 VanDerWaalsContact O-CG 3.23Å; I510-L514 WeakPolarHBondContact O-CG 3.42Å; I510-L514 PolarHBondContact O-N 2.89Å; I510-L514 VanDerWaalsContact O-N 3.14Å; N511-L514 PolarHBondContact O-N 2.84Å; T512-L514 PolarHBondContact O-N 3.18Å
515	H	73.1	Confident	63.5	Low	134 Å²	134	88.2 Å²	88.2	62%	0.62	49%	0.487	S	S	*	.	H	α-helix	trans	-93.7	-4.5	-175.3	-71.6	-58.6	0	0	0	114.6	N511 T512 N517	N511-H515 VanDerWaalsContact O-CB 3.32Å; N511-H515 WeakPolarHBondContact O-CB 3.35Å; N511-H515 PolarHBondContact O-CD2 3.05Å; N511-H515 PolarHBondContact O-N 2.88Å; T512-H515 PolarHBondContact O-N 3.37Å; H515-N517 PolarHBondContact O-N 3.48Å
516	D	66.8	Low	60.7	Low	90 Å²	90	90 Å²	90	48%	0.481	50%	0.5	S	S	.	.			trans	-59.7	101.1	172.4	-97.8	-16.3	0	0	0	109.8	K63 T512 N518	K63-D516 WeakPolarHBondContact CE-O 3.49Å; K63-D516 PolarHBondContact NZ-O 2.93Å; T512-D516 PolarHBondContact O-N 3.08Å; D516-N518 PolarHBondContact O-N 2.82Å
517	N	51.3	Low	58.1	Low	147 Å²	147	97.8 Å²	97.8	79%	0.786	54%	0.54	S	S	*	.			trans	-83.6	12.9	179.1	-75.9	-27.2	0	0	0	112.4	H515	H515-N517 PolarHBondContact O-N 3.48Å
518	N	45.3	Very low	55.5	Low	131 Å²	131	103.9 Å²	103.9	70%	0.701	57%	0.568	S	S	*	*	S	Bend	trans	-108.4	109.9	-178	-68.2	-38.1	0	0	0	110.2	D516	D516-N518 PolarHBondContact O-N 2.82Å
519	N	43.1	Very low	52.7	Low	150 Å²	150	105.5 Å²	105.5	80%	0.802	58%	0.578	S	S	*	*			trans	97.5	31	164.6	-47.9	-34.5	0	0	0	119.4	D521	N519-D521 PolarHBondContact O-N 3.46Å
520	D	43.7	Very low	50	Low	106 Å²	106	108.5 Å²	108.5	57%	0.567	60%	0.596	S	S	*	*			trans	-78.6	6.1	164.5	-87.6	-31.1	0	0	0	113.8	K63	K63-D520 WeakPolarHBondContact CE-OD2 3.42Å; K63-D520 IonicContact NZ-OD2 3.24Å; K63-D520 PolarHBondContact NZ-OD2 3.35Å
521	D	36.3	Very low	47.2	Very low	145 Å²	145	115.4 Å²	115.4	78%	0.775	63%	0.633	S	S	*	*	S	Bend	trans	-115	100.9	171.2	-94.9	-21.3	0	0	0	111.7	N519 T523	N519-D521 PolarHBondContact O-N 3.46Å; D521-T523 PolarHBondContact O-N 2.87Å; D521-T523 PolarHBondContact O-OG1 3.44Å
522	G	32.4	Very low	44.4	Very low	83 Å²	83	118.2 Å²	118.2	86%	0.856	65%	0.654	S	S	*	*				49.2	8.3	125.1	0	0	0	0	0	122.4
523	T	29.8	Very low	41.7	Very low	109 Å²	109	121.8 Å²	121.8	67%	0.669	67%	0.67	S	S	*	*			trans	-109.3	95.1	-174.9	-42.8	0	0	0	0	111.2	D521 N525	D521-T523 PolarHBondContact O-N 2.87Å; D521-T523 PolarHBondContact O-OG1 3.44Å; T523-N525 PolarHBondContact O-N 3.31Å
524	V	29.1	Very low	39.2	Very low	111 Å²	111	129.6 Å²	129.6	67%	0.673	71%	0.711	S	S	*	*			trans	-40.9	96.9	152	178.4	0	0	0	0	109.6	N526	V524-N526 VanDerWaalsContact C-N 3.3Å; V524-N526 PolarHBondContact O-N 3.25Å
525	N	29.1	Very low	36.7	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	74%	0.737	S	S	*	*			trans	-83.5	91	157.3	-80.7	-21.5	0	0	0	107.2	T523 L527	T523-N525 PolarHBondContact O-N 3.31Å; N525-L527 PolarHBondContact O-N 3.38Å
526	N	27.5	Very low	34.7	Very low	128 Å²	128	135.2 Å²	135.2	68%	0.684	74%	0.743	S	S	*	*			trans	-36.4	107	151.8	-71.2	-43.5	0	0	0	108.5	V524 Q528	V524-N526 VanDerWaalsContact C-N 3.3Å; V524-N526 PolarHBondContact O-N 3.25Å; N526-Q528 PolarHBondContact O-N 3.4Å
527	L	31.1	Very low	33	Very low	180 Å²	180	140.5 Å²	140.5	94%	0.942	76%	0.761	S	S	*	*			trans	-69.1	89.8	153.1	-90.2	162.2	0	0	0	105.7	N525 M529	N525-L527 PolarHBondContact O-N 3.38Å; L527-M529 PolarHBondContact O-N 3.41Å
528	Q	29.4	Very low	32	Very low	153 Å²	153	140.7 Å²	140.7	72%	0.715	76%	0.762	S	S	*	*			trans	-28.8	120.1	169.3	-133.4	153	-45.4	0	0	111.2	N526 N530	N526-Q528 PolarHBondContact O-N 3.4Å; Q528-N530 PolarHBondContact O-N 3.11Å
529	M	27.7	Very low	31.3	Very low	164 Å²	164	139 Å²	139	81%	0.808	76%	0.756	S	S	*	*			trans	-45.6	109.7	150.5	-70.6	170.3	81.9	0	0	107.9	L527	L527-M529 PolarHBondContact O-N 3.41Å
530	N	31.1	Very low	30.8	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	76%	0.759	S	S	*	*			trans	-110.4	88.8	156.5	-77.3	-24.9	0	0	0	105.7	Q528 P532	Q528-N530 PolarHBondContact O-N 3.11Å; N530-P532 VanDerWaalsContact O-CD 3.26Å; N530-P532 WeakPolarHBondContact O-CD 3.43Å
531	D	28.5	Very low	30.4	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	76%	0.759	S	S	*	*			trans	-62.7	123.9	155.3	-87.6	-34.1	0	0	0	107.3
532	P	27.5	Very low	30.3	Very low	106 Å²	106	138.1 Å²	138.1	69%	0.688	75%	0.752	S	S	*	*				-132.3	118.3	119.7	33.2	-21.6	0	0	0	107.8	N530	N530-P532 VanDerWaalsContact O-CD 3.26Å; N530-P532 WeakPolarHBondContact O-CD 3.43Å
533	L	31	Very low	30.6	Very low	145 Å²	145	139.7 Å²	139.7	76%	0.759	74%	0.74	S	S	*	*			trans	165.4	74.6	134.5	-82.7	161.3	0	0	0	110.2	M535	L533-M535 HydrophobicContact CD2-CB 4.19Å; L533-M535 PolarHBondContact O-N 3.2Å
534	L	28.2	Very low	30.9	Very low	182 Å²	182	139.4 Å²	139.4	95%	0.953	73%	0.734	S	S	*	*			trans	-62.9	75.9	137.5	-99.1	164.7	0	0	0	107.7
535	M	28.4	Very low	31.2	Very low	147 Å²	147	141 Å²	141	72%	0.724	73%	0.734	S	S	*	*			trans	-177	78.2	162.1	-97.7	-53.7	166.7	0	0	108.5	L533	L533-M535 HydrophobicContact CD2-CB 4.19Å; L533-M535 PolarHBondContact O-N 3.2Å
536	N	32.1	Very low	31.5	Very low	137 Å²	137	137.9 Å²	137.9	73%	0.733	72%	0.724	S	S	*	*			trans	-176.7	70.9	139	-95.1	-11.7	0	0	0	109.4	N538	N536-N538 VanDerWaalsContact C-N 3.29Å; N536-N538 PolarHBondContact O-N 3.22Å; N536-N538 VanDerWaalsContact O-N 3.08Å
537	K	30.4	Very low	32.1	Very low	200 Å²	200	136.5 Å²	136.5	87%	0.87	72%	0.716	S	S	*	*			trans	-58.6	101.3	142.6	-77.6	177.3	173.4	178.1	0	105.5
538	N	29.4	Very low	32.4	Very low	151 Å²	151	134.4 Å²	134.4	81%	0.807	71%	0.705	S	S	*	*			trans	162.7	32.5	159.7	-81.7	-9.9	0	0	0	114.6	N536	N536-N538 VanDerWaalsContact C-N 3.29Å; N536-N538 PolarHBondContact O-N 3.22Å; N536-N538 VanDerWaalsContact O-N 3.08Å
539	V	32.1	Very low	32.8	Very low	95 Å²	95	135 Å²	135	58%	0.576	71%	0.712	S	S	*	*			trans	-126.6	9.1	171.1	-167.4	0	0	0	0	113	S541	V539-S541 PolarHBondContact O-N 2.71Å; V539-S541 VanDerWaalsContact O-N 3.16Å
540	E	32.1	Very low	33.1	Very low	184 Å²	184	134.4 Å²	134.4	86%	0.86	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	8.6	178	-80.1	-177.6	150.1	0	0	115.2
541	S	34.7	Very low	33.2	Very low	82 Å²	82	134.4 Å²	134.4	57%	0.573	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-15.6	-178.5	61.2	0	0	0	0	116.1	V539	V539-S541 PolarHBondContact O-N 2.71Å; V539-S541 VanDerWaalsContact O-N 3.16Å
542	N	35.9	Very low	33.5	Very low	117 Å²	117	133.8 Å²	133.8	63%	0.626	71%	0.707	S	S	*	*	S	Bend	trans	-103.3	-13.1	-170.9	-81.9	3.1	0	0	0	116
543	I	38.7	Very low	33.8	Very low	117 Å²	117	135.4 Å²	135.4	60%	0.6	71%	0.708	S	S	*	*	S	Bend	trans	-89.7	-18.9	-180	-60.9	171.6	0	0	0	111.3	I547	I543-I547 HydrophobicContact CG2-CD1 4.36Å
544	N	34.6	Very low	34	Very low	103 Å²	103	134.8 Å²	134.8	55%	0.551	71%	0.705	S	S	*	*	H	α-helix	trans	-82.2	-19.9	-179	-68.7	-30.7	0	0	0	113.9
545	E	35.4	Very low	34.3	Very low	143 Å²	143	131.9 Å²	131.9	67%	0.668	69%	0.69	S	S	*	*	H	α-helix	trans	-84.6	-22.3	176.8	-80.5	-173.9	156.8	0	0	113.7	I547	E545-I547 VanDerWaalsContact C-N 3.35Å
546	S	36.2	Very low	34.7	Very low	82 Å²	82	130.9 Å²	130.9	57%	0.573	69%	0.688	S	S	*	*	H	α-helix	trans	-80.9	-17.9	176.1	-62.1	0	0	0	0	112.9	L550	S546-L550 WeakPolarHBondContact O-CD1 3.19Å; S546-L550 VanDerWaalsContact O-CG 3.27Å; S546-L550 WeakPolarHBondContact O-CG 3.3Å
547	I	39.3	Very low	34.9	Very low	99 Å²	99	130.4 Å²	130.4	51%	0.508	69%	0.685	S	S	.	*	H	α-helix	trans	-95	-17.3	179.6	-62.5	175.5	0	0	0	111.7	I543 E545 L549	I543-I547 HydrophobicContact CG2-CD1 4.36Å; E545-I547 VanDerWaalsContact C-N 3.35Å; I547-L549 VanDerWaalsContact C-N 3.31Å
548	L	38.5	Very low	35.3	Very low	135 Å²	135	125.1 Å²	125.1	71%	0.707	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	1.7	175.2	-82.8	164.6	0	0	0	114
549	L	36.5	Very low	35.8	Very low	165 Å²	165	122.9 Å²	122.9	86%	0.864	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	17.4	170	-74.2	171.6	0	0	0	113.1	I547	I547-L549 VanDerWaalsContact C-N 3.31Å
550	L	35.3	Very low	36.1	Very low	153 Å²	153	125.5 Å²	125.5	80%	0.801	67%	0.666	S	S	*	*			trans	-119.6	0	176.5	-75.1	172.6	0	0	0	110.9	F187 S546	F187-L550 HydrophobicContact CD1-CD2 4.28Å; F187-L550 HydrophobicContact CE1-CD2 4.22Å; S546-L550 WeakPolarHBondContact O-CD1 3.19Å; S546-L550 VanDerWaalsContact O-CG 3.27Å; S546-L550 WeakPolarHBondContact O-CG 3.3Å

Retrieved 550 of 550 residues in 745.4 ms (Link to these results)

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