A0A096LYF8_POEFO Loading...

Transmembrane 9 superfamily member

Plays an essential role in autophagy.

AlphaFold DB , UniProt , Accession A0A096LYF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 594 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	39.2	Very low	34.9	Very low	210 Å²	210	120.3 Å²	120.3	100%	1.034	63%	0.634	S	S	*	*				0	-48.1	0	-128.2	-176.7	-83.8	0	0	112.4	L4 R5	M1-L4 PolarHBondContact O-N 2.78Å; M1-R5 PolarHBondContact O-N 2.97Å
2	A	28.4	Very low	35.3	Very low	79 Å²	79	115.8 Å²	115.8	65%	0.653	61%	0.605	S	S	*	*	H	α-helix	trans	-62	-41.9	175.9	0	0	0	0	0	113.9	R5 F6	A2-R5 WeakPolarHBondContact O-CB 3.44Å; A2-R5 PolarHBondContact O-N 2.86Å; A2-F6 WeakPolarHBondContact O-CB 3.48Å; A2-F6 PolarHBondContact O-N 2.94Å
3	V	31.2	Very low	35.4	Very low	108 Å²	108	112.6 Å²	112.6	66%	0.655	60%	0.599	S	S	*	*	H	α-helix	trans	-67.3	-37.4	179	178.8	0	0	0	0	112.5	F6 L7	V3-F6 PolarHBondContact O-N 3.26Å; V3-L7 HydrophobicContact CG1-CD1 4.03Å; V3-L7 WeakPolarHBondContact O-CB 3.38Å; V3-L7 PolarHBondContact O-N 2.76Å
4	L	33.8	Very low	36	Very low	116 Å²	116	108.6 Å²	108.6	61%	0.607	60%	0.597	S	S	*	*	H	α-helix	trans	-69.9	-40.3	175	-167.5	72.7	0	0	0	111	M1 F6 I8	M1-L4 PolarHBondContact O-N 2.78Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.18Å; L4-I8 HydrophobicContact CD1-CD1 4.33Å; L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 HydrophobicContact CG-CD1 3.84Å; L4-I8 VanDerWaalsContact O-CB 3.24Å; L4-I8 WeakPolarHBondContact O-CB 3.46Å; L4-I8 WeakPolarHBondContact O-CD1 3.22Å; L4-I8 WeakPolarHBondContact O-CG1 3.36Å; L4-I8 PolarHBondContact O-N 3.43Å
5	R	34	Very low	36.9	Very low	191 Å²	191	117.5 Å²	117.5	72%	0.721	62%	0.618	S	S	*	*	H	α-helix	trans	-59.5	-40.6	169.4	-110	-176	178	-172.7	-0.8	111.6	M1 A2 L9	M1-R5 PolarHBondContact O-N 2.97Å; A2-R5 WeakPolarHBondContact O-CB 3.44Å; A2-R5 PolarHBondContact O-N 2.86Å; R5-L9 HydrophobicContact CB-CD1 4.37Å; R5-L9 HydrophobicContact CG-CD1 4.48Å; R5-L9 WeakPolarHBondContact O-CB 3.48Å; R5-L9 VanDerWaalsContact O-CD1 3.32Å; R5-L9 WeakPolarHBondContact O-CD1 2.98Å; R5-L9 VanDerWaalsContact O-CG 3.24Å; R5-L9 WeakPolarHBondContact O-CG 3.38Å; R5-L9 PolarHBondContact O-N 3.01Å
6	F	31.9	Very low	38.1	Very low	162 Å²	162	113 Å²	113	71%	0.711	60%	0.604	S	S	*	*	H	α-helix	trans	-71.8	-42.9	-178.3	-146.2	-90.3	0	0	0	112.3	A2 V3 L4 I8 A10	A2-F6 WeakPolarHBondContact O-CB 3.48Å; A2-F6 PolarHBondContact O-N 2.94Å; V3-F6 PolarHBondContact O-N 3.26Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.18Å; F6-I8 VanDerWaalsContact C-N 3.32Å; F6-I8 PolarHBondContact O-N 3.34Å; F6-A10 WeakPolarHBondContact O-CB 3.33Å; F6-A10 PolarHBondContact O-N 3.31Å
7	L	35.1	Very low	40.1	Very low	110 Å²	110	108.5 Å²	108.5	58%	0.576	59%	0.586	S	S	*	*	H	α-helix	trans	-63.3	-38.1	173.6	-92.5	152.8	0	0	0	112	V3 L11	V3-L7 HydrophobicContact CG1-CD1 4.03Å; V3-L7 WeakPolarHBondContact O-CB 3.38Å; V3-L7 PolarHBondContact O-N 2.76Å; L7-L11 WeakPolarHBondContact O-CD1 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.21Å
8	I	41.6	Very low	42.6	Very low	50 Å²	50	107.2 Å²	107.2	26%	0.256	59%	0.586	S	S	.	*	H	α-helix	trans	-74.8	-47	177.4	-68	171.2	0	0	0	110.8	L4 F6 A10 L11 F12 M320	L4-I8 HydrophobicContact CD1-CD1 4.33Å; L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 HydrophobicContact CG-CD1 3.84Å; L4-I8 VanDerWaalsContact O-CB 3.24Å; L4-I8 WeakPolarHBondContact O-CB 3.46Å; L4-I8 WeakPolarHBondContact O-CD1 3.22Å; L4-I8 WeakPolarHBondContact O-CG1 3.36Å; L4-I8 PolarHBondContact O-N 3.43Å; F6-I8 VanDerWaalsContact C-N 3.32Å; F6-I8 PolarHBondContact O-N 3.34Å; I8-A10 VanDerWaalsContact C-N 3.29Å; I8-A10 PolarHBondContact O-N 3.37Å; I8-L11 WeakPolarHBondContact O-CB 3.38Å; I8-L11 PolarHBondContact O-N 3.26Å; I8-L11 VanDerWaalsContact O-N 3.08Å; I8-F12 HydrophobicContact CG2-CD2 3.82Å; I8-F12 HydrophobicContact CG2-CE2 3.88Å; I8-F12 WeakPolarHBondContact O-CD2 3.43Å; I8-F12 PolarHBondContact O-N 3.27Å; I8-M320 HydrophobicContact CD1-CE 4.19Å; I8-M320 HydrophobicContact CG2-CE 3.59Å
9	L	35.8	Very low	45.1	Very low	107 Å²	107	103.4 Å²	103.4	56%	0.56	56%	0.562	S	S	*	*	H	α-helix	trans	-61.9	-36.4	177.1	-80	157.6	0	0	0	111.9	R5 L11 F12 S13	R5-L9 HydrophobicContact CB-CD1 4.37Å; R5-L9 HydrophobicContact CG-CD1 4.48Å; R5-L9 WeakPolarHBondContact O-CB 3.48Å; R5-L9 VanDerWaalsContact O-CD1 3.32Å; R5-L9 WeakPolarHBondContact O-CD1 2.98Å; R5-L9 VanDerWaalsContact O-CG 3.24Å; R5-L9 WeakPolarHBondContact O-CG 3.38Å; R5-L9 PolarHBondContact O-N 3.01Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.48Å; L9-F12 CarbonylContact O-C 3.55Å; L9-F12 PolarHBondContact O-N 3.28Å; L9-F12 VanDerWaalsContact O-N 3.12Å; L9-S13 WeakPolarHBondContact O-CB 3.36Å; L9-S13 PolarHBondContact O-N 2.9Å; L9-S13 PolarHBondContact O-OG 3.42Å
10	A	33.8	Very low	47.4	Very low	67 Å²	67	105.7 Å²	105.7	55%	0.554	57%	0.567	S	S	*	*	H	α-helix	trans	-68.1	-26.3	175	0	0	0	0	0	113.4	F6 I8 F12	F6-A10 WeakPolarHBondContact O-CB 3.33Å; F6-A10 PolarHBondContact O-N 3.31Å; I8-A10 VanDerWaalsContact C-N 3.29Å; I8-A10 PolarHBondContact O-N 3.37Å; A10-F12 VanDerWaalsContact C-N 3.33Å
11	L	39.4	Very low	49.5	Very low	123 Å²	123	107.8 Å²	107.8	64%	0.644	57%	0.571	S	S	*	*	H	α-helix	trans	-74.7	-24.2	171.6	-77.3	159.9	0	0	0	112.1	L7 I8 L9 R325	L7-L11 WeakPolarHBondContact O-CD1 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.21Å; I8-L11 WeakPolarHBondContact O-CB 3.38Å; I8-L11 PolarHBondContact O-N 3.26Å; I8-L11 VanDerWaalsContact O-N 3.08Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.48Å; L11-R325 PolarHBondContact O-NH1 3.24Å
12	F	39.4	Very low	51.9	Low	67 Å²	67	98.9 Å²	98.9	29%	0.294	53%	0.532	S	S	.	.	H	α-helix	trans	-111.8	-9.8	-172	-67.7	-68.6	0	0	0	115.8	I8 L9 A10 G14 A328	I8-F12 HydrophobicContact CG2-CD2 3.82Å; I8-F12 HydrophobicContact CG2-CE2 3.88Å; I8-F12 WeakPolarHBondContact O-CD2 3.43Å; I8-F12 PolarHBondContact O-N 3.27Å; L9-F12 CarbonylContact O-C 3.55Å; L9-F12 PolarHBondContact O-N 3.28Å; L9-F12 VanDerWaalsContact O-N 3.12Å; A10-F12 VanDerWaalsContact C-N 3.33Å; F12-G14 PolarHBondContact O-N 3.22Å; F12-G14 VanDerWaalsContact O-N 3.16Å; F12-A328 HydrophobicContact CE1-CB 4.29Å
13	S	36.3	Very low	55	Low	74 Å²	74	98.2 Å²	98.2	52%	0.517	52%	0.518	S	S	.	.			trans	-84.4	85.1	176.2	63.1	0	0	0	0	111.8	L9 W15	L9-S13 WeakPolarHBondContact O-CB 3.36Å; L9-S13 PolarHBondContact O-N 2.9Å; L9-S13 PolarHBondContact O-OG 3.42Å; S13-W15 PolarHBondContact O-N 3.49Å
14	G	44.2	Very low	58	Low	56 Å²	56	96.8 Å²	96.8	58%	0.577	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-72.6	119.3	160.6	0	0	0	0	0	109	F12	F12-G14 PolarHBondContact O-N 3.22Å; F12-G14 VanDerWaalsContact O-N 3.16Å
15	W	49	Very low	60.8	Low	242 Å²	242	91.2 Å²	91.2	92%	0.917	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-69.8	129.8	167.1	-80.8	27.8	0	0	0	108.2	S13 A17	S13-W15 PolarHBondContact O-N 3.49Å; W15-A17 PolarHBondContact O-N 3.4Å
16	A	57.2	Low	63.6	Low	46 Å²	46	84.2 Å²	84.2	38%	0.38	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-59	134.2	169	0	0	0	0	0	108.5	S18	A16-S18 PolarHBondContact O-N 3.13Å
17	A	71.8	Confident	66.6	Low	36 Å²	36	76.6 Å²	76.6	30%	0.298	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-61.1	140.6	174.1	0	0	0	0	0	109.4	W15 Y19 S156	W15-A17 PolarHBondContact O-N 3.4Å; A17-Y19 HydrophobicContact CB-CD2 4.39Å; A17-Y19 HydrophobicContact CB-CE1 4.46Å; A17-Y19 HydrophobicContact CB-CE2 3.58Å; A17-S156 PolarHBondContact O-OG 2.86Å
18	S	84.1	Confident	69.5	Low	85 Å²	85	73.6 Å²	73.6	59%	0.594	40%	0.404	S	S	*	.			trans	-105.6	127	175	174.4	0	0	0	0	107.9	A16 D155	A16-S18 PolarHBondContact O-N 3.13Å; S18-D155 CarbonylContact C-O 3.53Å; S18-D155 WeakPolarHBondContact CA-O 3.26Å; S18-D155 WeakPolarHBondContact OG-CB 3.45Å
19	Y	90.5	Very high	72.1	Confident	35 Å²	35	71.2 Å²	71.2	14%	0.137	39%	0.392	C	S	.	.			trans	-119.5	138.1	-175.6	-62.1	-79.9	0	0	0	109.7	A17 D23 V25 F80 D117 D155 V157	A17-Y19 HydrophobicContact CB-CD2 4.39Å; A17-Y19 HydrophobicContact CB-CE1 4.46Å; A17-Y19 HydrophobicContact CB-CE2 3.58Å; Y19-D23 HydrophobicContact CD1-CB 4.33Å; Y19-V25 HydrophobicContact CD1-CG2 4.03Å; Y19-V25 HydrophobicContact CE1-CG1 4.36Å; Y19-V25 HydrophobicContact CE1-CG2 4.09Å; Y19-V25 HydrophobicContact CG-CG2 4.37Å; Y19-F80 HydrophobicContact CG-CD2 4.35Å; Y19-D117 PolarHBondContact OH-OD1 3.01Å; Y19-D155 PolarHBondContact N-O 3.15Å; Y19-D155 WeakPolarHBondContact O-CA 3.37Å; Y19-D155 VanDerWaalsContact O-CB 3.25Å; Y19-D155 WeakPolarHBondContact O-CB 3.24Å; Y19-V157 HydrophobicContact CD2-CG2 4.18Å; Y19-V157 HydrophobicContact CE2-CG2 4.04Å
20	K	91.6	Very high	74.8	Confident	150 Å²	150	66.1 Å²	66.1	65%	0.652	37%	0.365	S	S	*	.			trans	-90.1	156.7	166.5	-63.3	177.7	-178.5	175.5	0	109.7	G22 D23 F80	K20-G22 PolarHBondContact O-N 2.95Å; K20-D23 WeakPolarHBondContact CB-OD2 3.37Å; K20-D23 PolarHBondContact N-OD2 2.99Å; K20-D23 VanDerWaalsContact O-CB 3.22Å; K20-D23 WeakPolarHBondContact O-CB 3.3Å; K20-D23 PolarHBondContact O-N 3.22Å; K20-F80 WeakPolarHBondContact O-CD1 3.12Å
21	K	91.1	Very high	77.7	Confident	150 Å²	150	63.8 Å²	63.8	65%	0.652	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	127.8	174.5	-177.4	168.7	-175.5	174.1	0	110.8	Q81	K21-Q81 HydrophobicContact CG-CB 4.26Å
22	G	90.6	Very high	80.3	Confident	22 Å²	22	58 Å²	58	23%	0.227	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-7.3	-177.2	0	0	0	0	0	115.3	K20 F80	K20-G22 PolarHBondContact O-N 2.95Å; G22-F80 PolarHBondContact N-O 2.79Å
23	D	92.8	Very high	82.9	Confident	66 Å²	66	54.8 Å²	54.8	35%	0.353	30%	0.298	S	S	.	.			trans	-62.8	146.2	175.2	-75	-8.7	0	0	0	110.9	Y19 K20 V25 R79 F80	Y19-D23 HydrophobicContact CD1-CB 4.33Å; K20-D23 WeakPolarHBondContact CB-OD2 3.37Å; K20-D23 PolarHBondContact N-OD2 2.99Å; K20-D23 VanDerWaalsContact O-CB 3.22Å; K20-D23 WeakPolarHBondContact O-CB 3.3Å; K20-D23 PolarHBondContact O-N 3.22Å; D23-V25 PolarHBondContact O-N 2.93Å; D23-R79 CarbonylContact O-C 3.44Å; D23-R79 WeakPolarHBondContact O-CA 3.32Å; D23-F80 PolarHBondContact O-N 2.87Å
24	N	93.4	Very high	85.5	Confident	77 Å²	77	51.4 Å²	51.4	41%	0.412	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-75.3	118.2	177.9	-176.1	38.2	0	0	0	110.3	T26 I78	N24-T26 PolarHBondContact ND2-OG1 3.22Å; N24-I78 PolarHBondContact OD1-O 2.81Å
25	V	93.6	Very high	87.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.			trans	-97.6	100.5	172.5	-168.3	0	0	0	0	107.2	Y19 D23 L27 I78 F80 L116 V157 W200	Y19-V25 HydrophobicContact CD1-CG2 4.03Å; Y19-V25 HydrophobicContact CE1-CG1 4.36Å; Y19-V25 HydrophobicContact CE1-CG2 4.09Å; Y19-V25 HydrophobicContact CG-CG2 4.37Å; D23-V25 PolarHBondContact O-N 2.93Å; V25-L27 PolarHBondContact O-N 2.85Å; V25-I78 HydrophobicContact CB-CG2 4.34Å; V25-I78 PolarHBondContact N-O 2.82Å; V25-F80 HydrophobicContact CG2-CB 3.91Å; V25-F80 HydrophobicContact CG2-CD2 4.18Å; V25-L116 HydrophobicContact CB-CD1 4.31Å; V25-L116 HydrophobicContact CG1-CD1 3.59Å; V25-L116 HydrophobicContact CG1-CD2 4.39Å; V25-L116 HydrophobicContact CG1-CG 3.89Å; V25-V157 HydrophobicContact CG1-CG2 4.45Å; V25-W200 HydrophobicContact CG2-CH2 4.15Å; V25-W200 HydrophobicContact CG2-CZ2 4.44Å
26	T	93.3	Very high	89.4	Confident	44 Å²	44	43.7 Å²	43.7	27%	0.27	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-71	120.6	-173.3	-55.7	0	0	0	0	110.4	N24 Y28 E73	N24-T26 PolarHBondContact ND2-OG1 3.22Å; T26-Y28 HydrophobicContact CG2-CD2 4.49Å; T26-Y28 HydrophobicContact CG2-CE1 4.06Å; T26-Y28 HydrophobicContact CG2-CE2 3.98Å; T26-E73 HydrophobicContact CG2-CG 4.43Å
27	L	94.4	Very high	91	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.2	170.1	-178.2	74	0	0	0	109.1	V25 S74 Y76 I78 F114 L116 I121 F148	V25-L27 PolarHBondContact O-N 2.85Å; L27-S74 WeakPolarHBondContact CB-OG 3.16Å; L27-S74 WeakPolarHBondContact O-CB 3.45Å; L27-S74 PolarHBondContact O-N 2.9Å; L27-S74 PolarHBondContact O-OG 2.76Å; L27-Y76 HydrophobicContact CD2-CD2 3.65Å; L27-Y76 HydrophobicContact CD2-CE2 4.45Å; L27-Y76 HydrophobicContact CD2-CG 3.93Å; L27-I78 HydrophobicContact CB-CD1 4.13Å; L27-I78 HydrophobicContact CD2-CD1 4.3Å; L27-F114 HydrophobicContact CD1-CB 3.96Å; L27-F114 HydrophobicContact CD2-CD2 4.02Å; L27-F114 HydrophobicContact CG-CB 4.41Å; L27-L116 HydrophobicContact CB-CD1 3.91Å; L27-L116 HydrophobicContact CD1-CB 3.78Å; L27-L116 HydrophobicContact CD1-CD1 3.93Å; L27-L116 HydrophobicContact CD1-CG 4.43Å; L27-I121 HydrophobicContact CD1-CD1 4.01Å; L27-F148 HydrophobicContact CD2-CE1 3.92Å; L27-F148 HydrophobicContact CD2-CZ 3.83Å
28	Y	95.4	Very high	91.8	Very high	47 Å²	47	40.9 Å²	40.9	18%	0.184	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.1	173.2	-62.4	-83.9	0	0	0	110.4	T26 K58 M71 A72 E73 F114 V115	T26-Y28 HydrophobicContact CG2-CD2 4.49Å; T26-Y28 HydrophobicContact CG2-CE1 4.06Å; T26-Y28 HydrophobicContact CG2-CE2 3.98Å; Y28-K58 HydrophobicContact CD1-CB 4.03Å; Y28-K58 HydrophobicContact CD1-CD 4.27Å; Y28-K58 HydrophobicContact CD2-CD 4.23Å; Y28-K58 HydrophobicContact CE1-CB 3.78Å; Y28-K58 HydrophobicContact CE1-CD 4.03Å; Y28-K58 HydrophobicContact CE1-CG 4.09Å; Y28-K58 HydrophobicContact CE2-CD 3.99Å; Y28-K58 HydrophobicContact CG-CD 4.36Å; Y28-M71 HydrophobicContact CD1-CB 4.47Å; Y28-M71 HydrophobicContact CG-CB 4.43Å; Y28-A72 CarbonylContact C-O 3.59Å; Y28-A72 VanDerWaalsContact CA-O 3.22Å; Y28-A72 WeakPolarHBondContact CA-O 3.26Å; Y28-E73 HydrophobicContact CD1-CG 4.43Å; Y28-E73 HydrophobicContact CE1-CG 3.98Å; Y28-F114 CarbonylContact O-C 3.44Å; Y28-F114 VanDerWaalsContact O-CA 3.28Å; Y28-F114 WeakPolarHBondContact O-CA 3.25Å; Y28-F114 WeakPolarHBondContact O-CB 3.29Å; Y28-V115 PolarHBondContact N-O 2.87Å; Y28-V115 PolarHBondContact O-N 3.21Å
29	V	95.6	Very high	92	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	138.1	163.8	-60	0	0	0	0	108.6	Y44 Y45 M71 A72 F114	V29-Y44 HydrophobicContact CB-CD1 3.71Å; V29-Y44 HydrophobicContact CB-CG 3.96Å; V29-Y44 HydrophobicContact CG1-CD1 3.62Å; V29-Y44 HydrophobicContact CG1-CE1 3.97Å; V29-Y44 HydrophobicContact CG1-CG 4.24Å; V29-Y44 HydrophobicContact CG2-CD1 4.04Å; V29-Y44 HydrophobicContact CG2-CG 4.49Å; V29-Y45 HydrophobicContact CG2-CD2 4.1Å; V29-Y45 HydrophobicContact CG2-CE1 4.11Å; V29-Y45 HydrophobicContact CG2-CE2 3.51Å; V29-M71 CarbonylContact O-C 3.47Å; V29-M71 VanDerWaalsContact O-CA 3.32Å; V29-M71 WeakPolarHBondContact O-CA 3.49Å; V29-A72 HydrophobicContact CG2-CB 4.13Å; V29-A72 PolarHBondContact N-O 2.75Å; V29-A72 PolarHBondContact O-N 2.73Å; V29-F114 HydrophobicContact CB-CD1 3.94Å; V29-F114 HydrophobicContact CB-CE1 3.94Å; V29-F114 HydrophobicContact CG1-CD1 3.79Å; V29-F114 HydrophobicContact CG1-CE1 3.56Å; V29-F114 HydrophobicContact CG1-CG 4.5Å; V29-F114 HydrophobicContact CG1-CZ 4.06Å
30	N	94.3	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-83	-177.2	-171.7	22.5	0	0	0	111	D69 R70 M71 E113 V115	N30-D69 PolarHBondContact ND2-OD1 3.5Å; N30-D69 VanDerWaalsContact OD1-CA 3.29Å; N30-D69 WeakPolarHBondContact OD1-CA 3.46Å; N30-D69 WeakPolarHBondContact OD1-CB 3.48Å; N30-R70 PolarHBondContact OD1-N 3.43Å; N30-M71 HydrophobicContact CB-CG 4.24Å; N30-E113 WeakPolarHBondContact CA-O 3.33Å; N30-E113 VanDerWaalsContact CB-O 3.23Å; N30-E113 WeakPolarHBondContact CB-O 3.5Å; N30-E113 PolarHBondContact N-O 3.45Å; N30-E113 PolarHBondContact ND2-OE1 3.13Å; N30-V115 HydrophobicContact CB-CG2 4.34Å
31	K	93.4	Very high	92.1	Very high	18 Å²	18	31.1 Å²	31.1	8%	0.078	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	161.5	-170.3	62.7	-163.4	178.3	-160.1	0	112.8	T41 Y42 D67 D69 F112 E113	K31-T41 HydrophobicContact CD-CG2 4.12Å; K31-T41 HydrophobicContact CG-CG2 4.43Å; K31-Y42 CarbonylContact C-O 3.57Å; K31-Y42 WeakPolarHBondContact CA-O 3.18Å; K31-Y42 WeakPolarHBondContact CB-O 3.45Å; K31-D67 PolarHBondContact NZ-O 2.93Å; K31-D67 VanDerWaalsContact NZ-O 3.14Å; K31-D69 IonicContact NZ-OD1 3.77Å; K31-D69 PolarHBondContact NZ-OD1 3.44Å; K31-F112 CarbonylContact O-C 3.57Å; K31-F112 WeakPolarHBondContact O-CA 3.32Å; K31-E113 WeakPolarHBondContact CE-OE2 3.04Å; K31-E113 HydrophobicContact CG-CB 4.2Å; K31-E113 PolarHBondContact N-O 3.23Å; K31-E113 PolarHBondContact O-N 2.93Å
32	V	94.5	Very high	92.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154	174.8	-66.8	0	0	0	0	109.8	T41 Y42 Y44 L47 Y110 Y111 F112	V32-T41 CarbonylContact O-C 3.57Å; V32-T41 WeakPolarHBondContact O-CA 3.47Å; V32-Y42 PolarHBondContact N-O 2.85Å; V32-Y42 PolarHBondContact O-N 2.9Å; V32-Y44 HydrophobicContact CG1-CD2 3.47Å; V32-Y44 VanDerWaalsContact CG1-CD2 3.47Å; V32-Y44 HydrophobicContact CG1-CE2 4.32Å; V32-Y44 HydrophobicContact CG1-CG 4.29Å; V32-L47 HydrophobicContact CB-CD1 4.16Å; V32-L47 HydrophobicContact CG1-CD1 4Å; V32-L47 HydrophobicContact CG2-CD1 4Å; V32-L47 HydrophobicContact CG2-CG 4.13Å; V32-Y110 HydrophobicContact CB-CD2 4.48Å; V32-Y111 WeakPolarHBondContact CA-O 3.12Å; V32-F112 HydrophobicContact CG1-CB 3.69Å
33	G	93.4	Very high	92.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	167.5	172.9	0	0	0	0	0	112.1	Y110 Y111	G33-Y110 VanDerWaalsContact O-CA 3.28Å; G33-Y110 WeakPolarHBondContact O-CA 3.41Å; G33-Y111 PolarHBondContact N-O 3.01Å; G33-Y111 VanDerWaalsContact N-O 3.14Å; G33-Y111 WeakPolarHBondContact O-CD1 3.44Å; G33-Y111 VanDerWaalsContact O-CE1 3.25Å; G33-Y111 WeakPolarHBondContact O-CE1 3.24Å; G33-Y111 PolarHBondContact O-N 2.78Å
34	P	92.2	Very high	92.5	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.026	11%	0.112	C	C	.	.			trans	-61.1	145.3	177.7	27.5	-37.8	0	0	0	111.4	H36 N37 E40 E108 Y110 R480	P34-H36 VanDerWaalsContact C-N 3.29Å; P34-H36 PolarHBondContact O-N 3.41Å; P34-N37 HydrophobicContact CG-CB 3.79Å; P34-E40 WeakPolarHBondContact CD-O 3.43Å; P34-E40 HydrophobicContact CG-CB 4.32Å; P34-E40 HydrophobicContact CG-CG 4.39Å; P34-E108 WeakPolarHBondContact CA-O 3.13Å; P34-E108 HydrophobicContact CB-CB 4.2Å; P34-Y110 HydrophobicContact CB-CD1 3.99Å; P34-Y110 HydrophobicContact CB-CE1 3.66Å; P34-Y110 HydrophobicContact CG-CE1 4.14Å; P34-R480 PolarHBondContact O-NH2 3.06Å
35	Y	87.6	Confident	92.6	Very high	62 Å²	62	20.6 Å²	20.6	24%	0.243	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.6	-179.8	175.3	-104.3	0	0	0	113	E108 L109 F124 F220 R480	Y35-E108 PolarHBondContact N-O 3.08Å; Y35-L109 WeakPolarHBondContact CB-O 3.5Å; Y35-L109 PolarHBondContact N-O 3.47Å; Y35-F124 HydrophobicContact CD2-CE1 4.19Å; Y35-F124 HydrophobicContact CD2-CZ 4.18Å; Y35-F124 HydrophobicContact CG-CE1 4.47Å; Y35-F220 HydrophobicContact CD2-CD1 4.05Å; Y35-F220 AromaticContact CD2-CE1 3.94Å; Y35-F220 HydrophobicContact CD2-CE1 3.94Å; Y35-F220 AromaticContact CE2-CD1 3.51Å; Y35-F220 HydrophobicContact CE2-CD1 3.51Å; Y35-F220 AromaticContact CE2-CE1 3.9Å; Y35-F220 HydrophobicContact CE2-CE1 3.9Å; Y35-F220 HydrophobicContact CE2-CG 4.43Å; Y35-R480 VanDerWaalsContact O-CZ 3.26Å; Y35-R480 PolarHBondContact O-NH1 2.96Å; Y35-R480 PolarHBondContact O-NH2 2.98Å
36	H	87.3	Confident	92.5	Very high	73 Å²	73	25.1 Å²	25.1	34%	0.338	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.2	-173.6	-67.8	-64.2	0	0	0	115.1	P34 P38 S547 M548	P34-H36 VanDerWaalsContact C-N 3.29Å; P34-H36 PolarHBondContact O-N 3.41Å; H36-P38 WeakPolarHBondContact O-CD 3.49Å; H36-S547 WeakPolarHBondContact ND1-CB 3.13Å; H36-S547 PolarHBondContact ND1-OG 2.91Å; H36-M548 WeakPolarHBondContact O-CG 3.28Å
37	N	91.1	Very high	92.5	Very high	6 Å²	6	24 Å²	24	3%	0.032	11%	0.114	C	C	.	.			trans	-117.7	88.8	176.7	-55.1	-23.9	0	0	0	110.3	P34 Q39 E40 M548 S549 Q553	P34-N37 HydrophobicContact CG-CB 3.79Å; N37-Q39 VanDerWaalsContact C-N 3.3Å; N37-Q39 PolarHBondContact O-N 2.79Å; N37-E40 HydrophobicContact CB-CB 3.75Å; N37-E40 PolarHBondContact ND2-OE2 3.47Å; N37-E40 PolarHBondContact O-N 2.85Å; N37-M548 WeakPolarHBondContact OD1-CA 3.49Å; N37-S549 PolarHBondContact ND2-O 3.2Å; N37-S549 PolarHBondContact OD1-N 2.76Å; N37-S549 PolarHBondContact OD1-O 2.88Å; N37-Q553 HydrophobicContact CB-CB 3.93Å; N37-Q553 HydrophobicContact CB-CG 3.9Å
38	P	86.9	Confident	92.4	Very high	17 Å²	17	24.5 Å²	24.5	11%	0.11	12%	0.118	C	C	.	.	S	Bend	trans	-61.8	-30	-175.4	-29.2	39.6	0	0	0	116.1	H36 W478 R480	H36-P38 WeakPolarHBondContact O-CD 3.49Å; P38-W478 WeakPolarHBondContact CG-O 3.23Å; P38-R480 HydrophobicContact CB-CG 3.96Å; P38-R480 HydrophobicContact CG-CG 3.91Å
39	Q	88.1	Confident	92.3	Very high	41 Å²	41	23 Å²	23	19%	0.192	11%	0.114	C	C	.	.	S	Bend	trans	-91.8	-15	-177.4	-52	-63.1	-11.2	0	0	112.5	N37 T41 Q393 E556	N37-Q39 VanDerWaalsContact C-N 3.3Å; N37-Q39 PolarHBondContact O-N 2.79Å; Q39-T41 PolarHBondContact O-N 3.25Å; Q39-T41 VanDerWaalsContact O-N 3.07Å; Q39-Q393 WeakPolarHBondContact O-CG 3.44Å; Q39-E556 VanDerWaalsContact CB-CD 3.4Å; Q39-E556 HydrophobicContact CB-CG 4.49Å; Q39-E556 WeakPolarHBondContact CB-OE2 3.37Å; Q39-E556 HydrophobicContact CG-CG 4.47Å; Q39-E556 WeakPolarHBondContact CG-OE1 3.45Å
40	E	92	Very high	92.2	Very high	24 Å²	24	23.5 Å²	23.5	11%	0.112	12%	0.117	C	C	.	.			trans	-78.9	94.9	170.7	-173.1	169.9	-170.4	0	0	109.8	P34 N37 Y42 V552	P34-E40 WeakPolarHBondContact CD-O 3.43Å; P34-E40 HydrophobicContact CG-CB 4.32Å; P34-E40 HydrophobicContact CG-CG 4.39Å; N37-E40 HydrophobicContact CB-CB 3.75Å; N37-E40 PolarHBondContact ND2-OE2 3.47Å; N37-E40 PolarHBondContact O-N 2.85Å; E40-Y42 HydrophobicContact CG-CE2 3.68Å; E40-Y42 WeakPolarHBondContact CG-OH 3.36Å; E40-Y42 PolarHBondContact OE1-OH 3.48Å; E40-V552 HydrophobicContact CB-CG1 4.3Å; E40-V552 HydrophobicContact CG-CB 4.32Å; E40-V552 HydrophobicContact CG-CG1 4.31Å
41	T	92.7	Very high	92.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	14%	0.144	C	C	.	.			trans	-126.9	147.6	-179.4	48.7	0	0	0	0	111.1	K31 V32 Q39 S391 T392 Q393	K31-T41 HydrophobicContact CD-CG2 4.12Å; K31-T41 HydrophobicContact CG-CG2 4.43Å; V32-T41 CarbonylContact O-C 3.57Å; V32-T41 WeakPolarHBondContact O-CA 3.47Å; Q39-T41 PolarHBondContact O-N 3.25Å; Q39-T41 VanDerWaalsContact O-N 3.07Å; T41-S391 CarbonylContact O-C 3.56Å; T41-S391 WeakPolarHBondContact O-CA 3.44Å; T41-S391 WeakPolarHBondContact O-CB 3.05Å; T41-S391 PolarHBondContact O-OG 3.35Å; T41-T392 VanDerWaalsContact CB-OG1 3.31Å; T41-T392 WeakPolarHBondContact CB-OG1 3.19Å; T41-T392 PolarHBondContact O-N 3.3Å; T41-T392 PolarHBondContact O-OG1 2.9Å; T41-T392 VanDerWaalsContact O-OG1 3.12Å; T41-T392 PolarHBondContact OG1-OG1 3.1Å; T41-Q393 PolarHBondContact OG1-NE2 3.38Å
42	Y	94.1	Very high	92	Very high	35 Å²	35	31.1 Å²	31.1	14%	0.137	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.4	-179.2	-56.3	-76.1	0	0	0	109.5	K31 V32 E40 Y110 S389	K31-Y42 CarbonylContact C-O 3.57Å; K31-Y42 WeakPolarHBondContact CA-O 3.18Å; K31-Y42 WeakPolarHBondContact CB-O 3.45Å; V32-Y42 PolarHBondContact N-O 2.85Å; V32-Y42 PolarHBondContact O-N 2.9Å; E40-Y42 HydrophobicContact CG-CE2 3.68Å; E40-Y42 WeakPolarHBondContact CG-OH 3.36Å; E40-Y42 PolarHBondContact OE1-OH 3.48Å; Y42-Y110 HydrophobicContact CD2-CE2 4.43Å; Y42-S389 WeakPolarHBondContact CE1-O 3.4Å
43	H	94.8	Very high	91.7	Very high	25 Å²	25	39.4 Å²	39.4	12%	0.116	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.4	178.1	-174.3	-82.4	0	0	0	109.8	Y45 T46 H57 R70 T392	H43-Y45 VanDerWaalsContact C-N 3.29Å; H43-Y45 AromaticContact CE1-CD2 3.42Å; H43-Y45 VanDerWaalsContact CE1-CD2 3.42Å; H43-Y45 WeakPolarHBondContact CE1-CD2 3.44Å; H43-Y45 AromaticContact CE1-CG 3.88Å; H43-Y45 PolarHBondContact ND1-N 3.26Å; H43-Y45 VanDerWaalsContact ND1-N 3.12Å; H43-Y45 PolarHBondContact O-N 3.12Å; H43-T46 VanDerWaalsContact O-CB 3.22Å; H43-T46 WeakPolarHBondContact O-CB 3.2Å; H43-T46 PolarHBondContact O-N 2.88Å; H43-T46 PolarHBondContact O-OG1 3.49Å; H43-H57 AromaticContact NE2-CE1 3.77Å; H43-R70 PolarHBondContact CD2-O 2.88Å; H43-R70 PolarHBondContact NE2-O 3.35Å; H43-T392 HydrophobicContact CB-CG2 4.02Å
44	Y	94.8	Very high	91.6	Very high	21 Å²	21	47.1 Å²	47.1	8%	0.082	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-53.4	-43.5	-176.9	177.6	-103.4	0	0	0	113.6	V29 V32 T46 L47 V49 F112 F114	V29-Y44 HydrophobicContact CB-CD1 3.71Å; V29-Y44 HydrophobicContact CB-CG 3.96Å; V29-Y44 HydrophobicContact CG1-CD1 3.62Å; V29-Y44 HydrophobicContact CG1-CE1 3.97Å; V29-Y44 HydrophobicContact CG1-CG 4.24Å; V29-Y44 HydrophobicContact CG2-CD1 4.04Å; V29-Y44 HydrophobicContact CG2-CG 4.49Å; V32-Y44 HydrophobicContact CG1-CD2 3.47Å; V32-Y44 VanDerWaalsContact CG1-CD2 3.47Å; V32-Y44 HydrophobicContact CG1-CE2 4.32Å; V32-Y44 HydrophobicContact CG1-CG 4.29Å; Y44-T46 PolarHBondContact O-N 3.16Å; Y44-T46 VanDerWaalsContact O-N 3.15Å; Y44-L47 PolarHBondContact O-N 2.9Å; Y44-V49 HydrophobicContact CD1-CG2 4Å; Y44-V49 HydrophobicContact CE1-CB 4.28Å; Y44-V49 HydrophobicContact CE1-CG2 3.52Å; Y44-F112 HydrophobicContact CD2-CB 3.88Å; Y44-F112 HydrophobicContact CE2-CB 3.97Å; Y44-F112 HydrophobicContact CE2-CG 4.32Å; Y44-F114 HydrophobicContact CD1-CE1 4.08Å; Y44-F114 AromaticContact CD2-CE1 3.53Å; Y44-F114 HydrophobicContact CD2-CE1 3.53Å; Y44-F114 HydrophobicContact CD2-CZ 4.1Å; Y44-F114 HydrophobicContact CE1-CE1 4.06Å; Y44-F114 HydrophobicContact CE1-CZ 4.03Å; Y44-F114 AromaticContact CE2-CE1 3.55Å; Y44-F114 HydrophobicContact CE2-CE1 3.55Å; Y44-F114 AromaticContact CE2-CZ 3.6Å; Y44-F114 HydrophobicContact CE2-CZ 3.6Å; Y44-F114 AromaticContact CG-CE1 3.82Å; Y44-F114 HydrophobicContact CG-CE1 3.82Å; Y44-F114 AromaticContact CZ-CE1 3.83Å; Y44-F114 AromaticContact CZ-CZ 3.57Å
45	Y	94.3	Very high	91.6	Very high	13 Å²	13	48.5 Å²	48.5	5%	0.051	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-72.1	4.7	176.8	-62.8	-40.3	0	0	0	116.2	V29 H43 V49 C50 R51 P52 V55 A72 E73 S74	V29-Y45 HydrophobicContact CG2-CD2 4.1Å; V29-Y45 HydrophobicContact CG2-CE1 4.11Å; V29-Y45 HydrophobicContact CG2-CE2 3.51Å; H43-Y45 VanDerWaalsContact C-N 3.29Å; H43-Y45 AromaticContact CE1-CD2 3.42Å; H43-Y45 VanDerWaalsContact CE1-CD2 3.42Å; H43-Y45 WeakPolarHBondContact CE1-CD2 3.44Å; H43-Y45 AromaticContact CE1-CG 3.88Å; H43-Y45 PolarHBondContact ND1-N 3.26Å; H43-Y45 VanDerWaalsContact ND1-N 3.12Å; H43-Y45 PolarHBondContact O-N 3.12Å; Y45-V49 HydrophobicContact CD1-CG2 4.02Å; Y45-C50 VanDerWaalsContact CE1-O 3.32Å; Y45-C50 WeakPolarHBondContact CE1-O 3.46Å; Y45-R51 HydrophobicContact CD1-CB 4.06Å; Y45-R51 HydrophobicContact CD1-CG 3.98Å; Y45-R51 HydrophobicContact CD2-CG 4.28Å; Y45-R51 HydrophobicContact CE1-CB 4.36Å; Y45-R51 HydrophobicContact CE1-CG 4.4Å; Y45-R51 HydrophobicContact CG-CG 3.94Å; Y45-P52 HydrophobicContact CE2-CG 4.29Å; Y45-V55 HydrophobicContact CD2-CG1 3.92Å; Y45-V55 HydrophobicContact CD2-CG2 3.93Å; Y45-V55 HydrophobicContact CE2-CG1 4.06Å; Y45-V55 HydrophobicContact CE2-CG2 4.29Å; Y45-A72 HydrophobicContact CE2-CB 4.16Å; Y45-E73 PolarHBondContact OH-O 2.86Å; Y45-E73 VanDerWaalsContact OH-O 3.08Å; Y45-S74 WeakPolarHBondContact OH-CA 3.25Å
46	T	92.1	Very high	91.8	Very high	94 Å²	94	50.5 Å²	50.5	58%	0.577	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-74.7	-31.1	167.2	-57.2	0	0	0	0	110.7	H43 Y44	H43-T46 VanDerWaalsContact O-CB 3.22Å; H43-T46 WeakPolarHBondContact O-CB 3.2Å; H43-T46 PolarHBondContact O-N 2.88Å; H43-T46 PolarHBondContact O-OG1 3.49Å; Y44-T46 PolarHBondContact O-N 3.16Å; Y44-T46 VanDerWaalsContact O-N 3.15Å
47	L	93.1	Very high	92	Very high	20 Å²	20	53 Å²	53	11%	0.105	26%	0.257	C	S	.	.	S	Bend	trans	-71.4	152.1	171	-67.2	175.9	0	0	0	110.6	V32 Y44 V49 A105 Y110 V125	V32-L47 HydrophobicContact CB-CD1 4.16Å; V32-L47 HydrophobicContact CG1-CD1 4Å; V32-L47 HydrophobicContact CG2-CD1 4Å; V32-L47 HydrophobicContact CG2-CG 4.13Å; Y44-L47 PolarHBondContact O-N 2.9Å; L47-V49 VanDerWaalsContact C-N 3.25Å; L47-V49 HydrophobicContact CB-CG1 3.91Å; L47-V49 PolarHBondContact O-N 2.83Å; L47-A105 HydrophobicContact CD2-CB 4.02Å; L47-Y110 HydrophobicContact CD1-CD2 4.48Å; L47-Y110 HydrophobicContact CD2-CD2 4.48Å; L47-V125 HydrophobicContact CD1-CG1 4.43Å; L47-V125 HydrophobicContact CD1-CG2 3.97Å
48	P	92.9	Very high	91.9	Very high	13 Å²	13	55.2 Å²	55.2	8%	0.084	27%	0.267	C	S	.	.	S	Bend	trans	-76.8	80.1	176.2	32.5	-34.9	0	0	0	110.1	L92 L94 Q98 L102	P48-L92 WeakPolarHBondContact O-CD2 3.4Å; P48-L94 HydrophobicContact CB-CD2 3.88Å; P48-L94 HydrophobicContact CG-CD2 4.41Å; P48-Q98 HydrophobicContact CB-CB 3.75Å; P48-Q98 HydrophobicContact CB-CG 3.81Å; P48-Q98 HydrophobicContact CG-CB 3.83Å; P48-Q98 HydrophobicContact CG-CG 4.27Å; P48-Q98 WeakPolarHBondContact CG-O 3.24Å; P48-L102 HydrophobicContact CG-CD1 3.85Å; P48-L102 HydrophobicContact CG-CD2 3.94Å; P48-L102 HydrophobicContact CG-CG 3.53Å
49	V	93	Very high	91.9	Very high	15 Å²	15	59.8 Å²	59.8	9%	0.091	30%	0.299	C	S	.	.	S	Bend	trans	-122.5	173.9	-178.6	-61.5	0	0	0	0	111.2	Y44 Y45 L47 R51	Y44-V49 HydrophobicContact CD1-CG2 4Å; Y44-V49 HydrophobicContact CE1-CB 4.28Å; Y44-V49 HydrophobicContact CE1-CG2 3.52Å; Y45-V49 HydrophobicContact CD1-CG2 4.02Å; L47-V49 VanDerWaalsContact C-N 3.25Å; L47-V49 HydrophobicContact CB-CG1 3.91Å; L47-V49 PolarHBondContact O-N 2.83Å; V49-R51 PolarHBondContact O-N 3.02Å
50	C	92.8	Very high	91.8	Very high	10 Å²	10	59.9 Å²	59.9	7%	0.068	30%	0.301	C	S	.	.			trans	-57.3	121	172.1	-64.6	0	0	0	0	110.8	Y45 L75 L89 C90 H194	Y45-C50 VanDerWaalsContact CE1-O 3.32Å; Y45-C50 WeakPolarHBondContact CE1-O 3.46Å; C50-L75 HydrophobicContact CB-CD1 3.91Å; C50-L89 HydrophobicContact CB-CD2 3.83Å; C50-L89 HydrophobicContact CB-CG 4.32Å; C50-C90 VanDerWaalsContact CA-SG 3.59Å; C50-C90 HydrophobicContact CB-CB 3.87Å; C50-C90 WeakPolarHBondContact CB-SG 3.47Å; C50-C90 WeakPolarHBondContact SG-CB 3.45Å; C50-C90 CovalentContact SG-SG 2.03Å; C50-C90 PolarHBondContact SG-SG 2.99Å; C50-H194 VanDerWaalsContact SG-CB 3.59Å
51	R	92.7	Very high	91.4	Very high	153 Å²	153	61.4 Å²	61.4	58%	0.577	31%	0.314	S	S	*	.			trans	-132.2	139	-175.3	-176.4	-177	173.9	161	-2.9	110.8	Y45 V49 V55	Y45-R51 HydrophobicContact CD1-CB 4.06Å; Y45-R51 HydrophobicContact CD1-CG 3.98Å; Y45-R51 HydrophobicContact CD2-CG 4.28Å; Y45-R51 HydrophobicContact CE1-CB 4.36Å; Y45-R51 HydrophobicContact CE1-CG 4.4Å; Y45-R51 HydrophobicContact CG-CG 3.94Å; V49-R51 PolarHBondContact O-N 3.02Å; R51-V55 HydrophobicContact CG-CG2 4.2Å
52	P	92.4	Very high	90.7	Very high	26 Å²	26	64 Å²	64	17%	0.169	33%	0.328	C	S	.	.			trans	-69.6	152.8	172.9	29.1	-34	0	0	0	111.5	Y45 K54 V55 L75	Y45-P52 HydrophobicContact CE2-CG 4.29Å; P52-K54 PolarHBondContact O-N 3.13Å; P52-V55 HydrophobicContact CG-CG2 4.25Å; P52-L75 HydrophobicContact CB-CD2 3.79Å; P52-L75 HydrophobicContact CB-CG 4.38Å
53	D	87.6	Confident	90	Very high	175 Å²	175	62.4 Å²	62.4	94%	0.936	32%	0.322	S	S	*	.	S	Bend	trans	-57.2	-36.3	177.3	-63.2	-34.1	0	0	0	112.4
54	K	91.3	Very high	89.5	Confident	161 Å²	161	62.4 Å²	62.4	70%	0.7	32%	0.322	S	S	*	.	S	Bend	trans	-124.5	122.2	173.4	-66	-176	-177.1	177.8	0	109.4	P52	P52-K54 PolarHBondContact O-N 3.13Å
55	V	91.4	Very high	89.1	Confident	33 Å²	33	62.3 Å²	62.3	20%	0.2	32%	0.323	C	S	.	.			trans	-86.3	114	177.9	-177.8	0	0	0	0	108.7	Y45 R51 P52 A72	Y45-V55 HydrophobicContact CD2-CG1 3.92Å; Y45-V55 HydrophobicContact CD2-CG2 3.93Å; Y45-V55 HydrophobicContact CE2-CG1 4.06Å; Y45-V55 HydrophobicContact CE2-CG2 4.29Å; R51-V55 HydrophobicContact CG-CG2 4.2Å; P52-V55 HydrophobicContact CG-CG2 4.25Å; V55-A72 HydrophobicContact CG1-CB 3.57Å
56	H	92.7	Very high	88.6	Confident	105 Å²	105	63.4 Å²	63.4	49%	0.486	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-94.6	116.6	174.9	-71.1	-83.4	0	0	0	109.5	A72 E73	H56-A72 CarbonylContact O-C 3.6Å; H56-A72 WeakPolarHBondContact O-CA 3.41Å; H56-E73 HydrophobicContact CB-CB 4.45Å; H56-E73 HydrophobicContact CB-CG 4.2Å; H56-E73 PolarHBondContact O-N 2.87Å
57	H	91.1	Very high	88.2	Confident	124 Å²	124	60.8 Å²	60.8	57%	0.574	31%	0.312	S	S	*	.	B	Isolated β-bridge	trans	-88.9	139.3	-179.7	-69.9	-76.6	0	0	0	111.7	H43 M71	H43-H57 AromaticContact NE2-CE1 3.77Å; H57-M71 WeakPolarHBondContact CA-O 3.17Å
58	K	89.4	Confident	87.8	Confident	54 Å²	54	59.9 Å²	59.9	24%	0.235	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-74.7	140.2	172.2	-173.6	-174	175.9	-170.3	0	109.2	Y28 L60 M71 D118	Y28-K58 HydrophobicContact CD1-CB 4.03Å; Y28-K58 HydrophobicContact CD1-CD 4.27Å; Y28-K58 HydrophobicContact CD2-CD 4.23Å; Y28-K58 HydrophobicContact CE1-CB 3.78Å; Y28-K58 HydrophobicContact CE1-CD 4.03Å; Y28-K58 HydrophobicContact CE1-CG 4.09Å; Y28-K58 HydrophobicContact CE2-CD 3.99Å; Y28-K58 HydrophobicContact CG-CD 4.36Å; K58-L60 HydrophobicContact CD-CD2 4.43Å; K58-L60 PolarHBondContact O-N 3.27Å; K58-M71 HydrophobicContact CB-CB 3.99Å; K58-M71 HydrophobicContact CD-CB 4.34Å; K58-M71 HydrophobicContact CD-SD 3.93Å; K58-M71 PolarHBondContact N-O 3.17Å; K58-D118 IonicContact NZ-OD1 3.03Å; K58-D118 PolarHBondContact NZ-OD1 3.08Å
59	S	86.3	Confident	87.7	Confident	113 Å²	113	59.2 Å²	59.2	79%	0.79	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-70.2	124.9	168.3	58.8	0	0	0	0	110
60	L	86.1	Confident	87.6	Confident	42 Å²	42	60.8 Å²	60.8	22%	0.22	31%	0.308	C	S	.	.			trans	-105.1	150.9	-177.1	-62.9	175.7	0	0	0	111.5	K58 E64 V65 D69 M71	K58-L60 HydrophobicContact CD-CD2 4.43Å; K58-L60 PolarHBondContact O-N 3.27Å; L60-E64 HydrophobicContact CB-CB 4.03Å; L60-E64 HydrophobicContact CD2-CB 4.18Å; L60-E64 HydrophobicContact CG-CB 4.48Å; L60-V65 HydrophobicContact CB-CG2 3.75Å; L60-V65 HydrophobicContact CD1-CG2 4.39Å; L60-D69 HydrophobicContact CD1-CB 4.09Å; L60-D69 WeakPolarHBondContact CD1-O 3.41Å; L60-M71 HydrophobicContact CD2-CB 4.08Å; L60-M71 HydrophobicContact CD2-CE 4.02Å; L60-M71 HydrophobicContact CD2-CG 3.91Å; L60-M71 HydrophobicContact CD2-SD 3.74Å
61	S	83.5	Confident	87.6	Confident	57 Å²	57	60.4 Å²	60.4	40%	0.399	31%	0.305	S	S	.	.			trans	-69.6	162.4	168.2	68	0	0	0	0	111.4	G63 E64 V65	S61-G63 PolarHBondContact O-N 2.78Å; S61-E64 WeakPolarHBondContact CB-OE2 3.16Å; S61-E64 PolarHBondContact N-OE2 2.95Å; S61-E64 PolarHBondContact O-N 2.85Å; S61-E64 WeakPolarHBondContact OG-CG 3.49Å; S61-E64 PolarHBondContact OG-N 2.76Å; S61-E64 PolarHBondContact OG-OE2 2.83Å; S61-V65 WeakPolarHBondContact O-CG2 3.06Å; S61-V65 PolarHBondContact O-N 3.35Å
62	L	78.9	Confident	87.7	Confident	56 Å²	56	53.1 Å²	53.1	29%	0.293	28%	0.278	S	S	.	.	H	α-helix	trans	-56	-41	176.9	179.7	63.8	0	0	0	111.7	V65 L66 T399 L402	L62-V65 PolarHBondContact O-N 2.91Å; L62-L66 HydrophobicContact CD1-CD1 4.3Å; L62-L66 HydrophobicContact CD1-CG 4.43Å; L62-L66 HydrophobicContact CG-CD1 3.99Å; L62-L66 WeakPolarHBondContact O-CG 3.39Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-L66 VanDerWaalsContact O-N 3.08Å; L62-T399 HydrophobicContact CD1-CG2 3.79Å; L62-L402 HydrophobicContact CD1-CD2 4.19Å; L62-L402 HydrophobicContact CD2-CD2 4.03Å
63	G	78.1	Confident	87.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-49.4	178.7	0	0	0	0	0	112.9	S61 V65 L66 D67 G327 S331	S61-G63 PolarHBondContact O-N 2.78Å; G63-V65 VanDerWaalsContact C-N 3.29Å; G63-V65 PolarHBondContact O-N 2.84Å; G63-L66 WeakPolarHBondContact O-CB 3.47Å; G63-L66 PolarHBondContact O-N 2.88Å; G63-L66 VanDerWaalsContact O-N 3.12Å; G63-D67 PolarHBondContact O-N 3.36Å; G63-G327 VanDerWaalsContact C-CA 3.41Å; G63-G327 WeakPolarHBondContact CA-O 3.31Å; G63-S331 VanDerWaalsContact CA-OG 3.24Å; G63-S331 WeakPolarHBondContact CA-OG 3.35Å; G63-S331 PolarHBondContact N-OG 3.04Å
64	E	84.4	Confident	88.1	Confident	25 Å²	25	48.9 Å²	48.9	12%	0.117	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-40.3	178.2	-71.3	162.3	140.2	0	0	111.2	L60 S61 L66 D67 G68 D69 H326	L60-E64 HydrophobicContact CB-CB 4.03Å; L60-E64 HydrophobicContact CD2-CB 4.18Å; L60-E64 HydrophobicContact CG-CB 4.48Å; S61-E64 WeakPolarHBondContact CB-OE2 3.16Å; S61-E64 PolarHBondContact N-OE2 2.95Å; S61-E64 PolarHBondContact O-N 2.85Å; S61-E64 WeakPolarHBondContact OG-CG 3.49Å; S61-E64 PolarHBondContact OG-N 2.76Å; S61-E64 PolarHBondContact OG-OE2 2.83Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 2.99Å; E64-D67 PolarHBondContact O-N 3.26Å; E64-G68 PolarHBondContact O-N 3.13Å; E64-D69 HydrophobicContact CB-CB 4.19Å; E64-D69 VanDerWaalsContact O-CB 3.26Å; E64-D69 WeakPolarHBondContact O-CB 3.44Å; E64-D69 PolarHBondContact O-N 2.71Å; E64-H326 HydrophobicContact CG-CB 3.87Å
65	V	86.7	Confident	88.2	Confident	20 Å²	20	44.4 Å²	44.4	12%	0.121	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-36.5	176.5	174.4	0	0	0	0	112	L60 S61 L62 G63 G68 R70 L395 T399	L60-V65 HydrophobicContact CB-CG2 3.75Å; L60-V65 HydrophobicContact CD1-CG2 4.39Å; S61-V65 WeakPolarHBondContact O-CG2 3.06Å; S61-V65 PolarHBondContact O-N 3.35Å; L62-V65 PolarHBondContact O-N 2.91Å; G63-V65 VanDerWaalsContact C-N 3.29Å; G63-V65 PolarHBondContact O-N 2.84Å; V65-G68 PolarHBondContact O-N 3.23Å; V65-R70 PolarHBondContact O-NH1 2.95Å; V65-L395 HydrophobicContact CG1-CD2 4.27Å; V65-T399 HydrophobicContact CG1-CG2 4.13Å
66	L	83.9	Confident	88.4	Confident	35 Å²	35	43.6 Å²	43.6	18%	0.183	23%	0.229	C	C	.	.	H	α-helix	trans	-73.6	-27.5	177.5	-70	169	0	0	0	113.3	L62 G63 E64 G68 I334 L395 L403	L62-L66 HydrophobicContact CD1-CD1 4.3Å; L62-L66 HydrophobicContact CD1-CG 4.43Å; L62-L66 HydrophobicContact CG-CD1 3.99Å; L62-L66 WeakPolarHBondContact O-CG 3.39Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-L66 VanDerWaalsContact O-N 3.08Å; G63-L66 WeakPolarHBondContact O-CB 3.47Å; G63-L66 PolarHBondContact O-N 2.88Å; G63-L66 VanDerWaalsContact O-N 3.12Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 2.99Å; L66-G68 PolarHBondContact O-N 3.31Å; L66-I334 HydrophobicContact CD1-CD1 3.35Å; L66-L395 HydrophobicContact CD2-CD1 3.99Å; L66-L395 HydrophobicContact CD2-CD2 4.09Å; L66-L403 HydrophobicContact CD2-CD1 4.09Å
67	D	83	Confident	88.4	Confident	40 Å²	40	42.4 Å²	42.4	21%	0.214	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.2	172.3	-69.6	3.8	0	0	0	112.1	K31 G63 E64 D69 G327 N330 Q393	K31-D67 PolarHBondContact NZ-O 2.93Å; K31-D67 VanDerWaalsContact NZ-O 3.14Å; G63-D67 PolarHBondContact O-N 3.36Å; E64-D67 PolarHBondContact O-N 3.26Å; D67-D69 VanDerWaalsContact C-N 3.35Å; D67-G327 WeakPolarHBondContact OD2-CA 3.08Å; D67-G327 PolarHBondContact OD2-N 3.24Å; D67-N330 PolarHBondContact OD1-ND2 2.71Å; D67-Q393 PolarHBondContact O-NE2 3.13Å
68	G	86.5	Confident	88.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	19.1	-178	0	0	0	0	0	113.9	E64 V65 L66 T392	E64-G68 PolarHBondContact O-N 3.13Å; V65-G68 PolarHBondContact O-N 3.23Å; L66-G68 PolarHBondContact O-N 3.31Å; G68-T392 WeakPolarHBondContact O-CB 3.34Å; G68-T392 PolarHBondContact O-OG1 2.85Å
69	D	89.3	Confident	88.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.			trans	-70.6	138.6	178.8	-64.9	-23.8	0	0	0	110.8	N30 K31 L60 E64 D67 M71 H326	N30-D69 PolarHBondContact ND2-OD1 3.5Å; N30-D69 VanDerWaalsContact OD1-CA 3.29Å; N30-D69 WeakPolarHBondContact OD1-CA 3.46Å; N30-D69 WeakPolarHBondContact OD1-CB 3.48Å; K31-D69 IonicContact NZ-OD1 3.77Å; K31-D69 PolarHBondContact NZ-OD1 3.44Å; L60-D69 HydrophobicContact CD1-CB 4.09Å; L60-D69 WeakPolarHBondContact CD1-O 3.41Å; E64-D69 HydrophobicContact CB-CB 4.19Å; E64-D69 VanDerWaalsContact O-CB 3.26Å; E64-D69 WeakPolarHBondContact O-CB 3.44Å; E64-D69 PolarHBondContact O-N 2.71Å; D67-D69 VanDerWaalsContact C-N 3.35Å; D69-M71 HydrophobicContact CB-CE 4.09Å; D69-H326 IonicContact OD2-CG 3.09Å; D69-H326 IonicContact OD2-ND1 3.28Å; D69-H326 PolarHBondContact OD2-ND1 3.49Å
70	R	91.6	Very high	89.3	Confident	48 Å²	48	33.6 Å²	33.6	18%	0.181	17%	0.165	C	C	.	.			trans	-141.4	76.9	177.2	-62.4	-66.4	-179.2	-90.7	-5.9	108	N30 H43 V65 T392 A394	N30-R70 PolarHBondContact OD1-N 3.43Å; H43-R70 PolarHBondContact CD2-O 2.88Å; H43-R70 PolarHBondContact NE2-O 3.35Å; V65-R70 PolarHBondContact O-NH1 2.95Å; R70-T392 HydrophobicContact CB-CG2 4.17Å; R70-T392 HydrophobicContact CG-CG2 3.68Å; R70-T392 VanDerWaalsContact CZ-O 3.31Å; R70-T392 PolarHBondContact NH2-O 3.18Å; R70-A394 PolarHBondContact NH2-O 2.86Å
71	M	92.9	Very high	89.6	Confident	2 Å²	2	34 Å²	34	1%	0.01	17%	0.166	C	C	.	.			trans	-79.8	134.3	-174.8	-61.9	-179.2	-160	0	0	112.1	Y28 V29 N30 H57 K58 L60 D69 V115	Y28-M71 HydrophobicContact CD1-CB 4.47Å; Y28-M71 HydrophobicContact CG-CB 4.43Å; V29-M71 CarbonylContact O-C 3.47Å; V29-M71 VanDerWaalsContact O-CA 3.32Å; V29-M71 WeakPolarHBondContact O-CA 3.49Å; N30-M71 HydrophobicContact CB-CG 4.24Å; H57-M71 WeakPolarHBondContact CA-O 3.17Å; K58-M71 HydrophobicContact CB-CB 3.99Å; K58-M71 HydrophobicContact CD-CB 4.34Å; K58-M71 HydrophobicContact CD-SD 3.93Å; K58-M71 PolarHBondContact N-O 3.17Å; L60-M71 HydrophobicContact CD2-CB 4.08Å; L60-M71 HydrophobicContact CD2-CE 4.02Å; L60-M71 HydrophobicContact CD2-CG 3.91Å; L60-M71 HydrophobicContact CD2-SD 3.74Å; D69-M71 HydrophobicContact CB-CE 4.09Å; M71-V115 HydrophobicContact CE-CB 4.49Å; M71-V115 HydrophobicContact CE-CG1 4.46Å; M71-V115 HydrophobicContact CE-CG2 3.92Å; M71-V115 HydrophobicContact SD-CB 4.24Å; M71-V115 HydrophobicContact SD-CG1 4.35Å; M71-V115 HydrophobicContact SD-CG2 4.2Å
72	A	94.3	Very high	90.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.4	173.5	0	0	0	0	0	111.5	Y28 V29 Y45 V55 H56 S74	Y28-A72 CarbonylContact C-O 3.59Å; Y28-A72 VanDerWaalsContact CA-O 3.22Å; Y28-A72 WeakPolarHBondContact CA-O 3.26Å; V29-A72 HydrophobicContact CG2-CB 4.13Å; V29-A72 PolarHBondContact N-O 2.75Å; V29-A72 PolarHBondContact O-N 2.73Å; Y45-A72 HydrophobicContact CE2-CB 4.16Å; V55-A72 HydrophobicContact CG1-CB 3.57Å; H56-A72 CarbonylContact O-C 3.6Å; H56-A72 WeakPolarHBondContact O-CA 3.41Å; A72-S74 PolarHBondContact O-N 2.03Å
73	E	93.9	Very high	90.9	Very high	90 Å²	90	36.7 Å²	36.7	42%	0.421	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	132.2	177.4	-70.4	-179.5	-175.2	0	0	110.9	T26 Y28 Y45 H56	T26-E73 HydrophobicContact CG2-CG 4.43Å; Y28-E73 HydrophobicContact CD1-CG 4.43Å; Y28-E73 HydrophobicContact CE1-CG 3.98Å; Y45-E73 PolarHBondContact OH-O 2.86Å; Y45-E73 VanDerWaalsContact OH-O 3.08Å; H56-E73 HydrophobicContact CB-CB 4.45Å; H56-E73 HydrophobicContact CB-CG 4.2Å; H56-E73 PolarHBondContact O-N 2.87Å
74	S	94.4	Very high	91.7	Very high	21 Å²	21	38.3 Å²	38.3	15%	0.147	18%	0.184	C	C	.	.			trans	-87.9	166.4	178.6	81.5	0	0	0	0	112.9	L27 Y45 A72 Y76	L27-S74 WeakPolarHBondContact CB-OG 3.16Å; L27-S74 WeakPolarHBondContact O-CB 3.45Å; L27-S74 PolarHBondContact O-N 2.9Å; L27-S74 PolarHBondContact O-OG 2.76Å; Y45-S74 WeakPolarHBondContact OH-CA 3.25Å; A72-S74 PolarHBondContact O-N 2.03Å; S74-Y76 VanDerWaalsContact C-N 3.28Å; S74-Y76 PolarHBondContact OG-N 2.81Å
75	L	94.1	Very high	92.1	Very high	67 Å²	67	42.7 Å²	42.7	35%	0.351	21%	0.208	S	C	.	.	S	Bend	trans	-81.4	-6.5	170.9	-70.8	173.8	0	0	0	113.1	C50 P52 F77 L89	C50-L75 HydrophobicContact CB-CD1 3.91Å; P52-L75 HydrophobicContact CB-CD2 3.79Å; P52-L75 HydrophobicContact CB-CG 4.38Å; L75-F77 PolarHBondContact O-N 2.84Å; L75-L89 HydrophobicContact CB-CD1 3.67Å; L75-L89 HydrophobicContact CB-CG 4.28Å; L75-L89 WeakPolarHBondContact O-CD1 3.42Å
76	Y	94.3	Very high	92.3	Very high	17 Å²	17	50.7 Å²	50.7	7%	0.067	24%	0.236	C	C	.	.			trans	-76.7	124.3	-179.4	-61	-84.7	0	0	0	109.5	L27 S74 L89 F114 L146 F148 Y196	L27-Y76 HydrophobicContact CD2-CD2 3.65Å; L27-Y76 HydrophobicContact CD2-CE2 4.45Å; L27-Y76 HydrophobicContact CD2-CG 3.93Å; S74-Y76 VanDerWaalsContact C-N 3.28Å; S74-Y76 PolarHBondContact OG-N 2.81Å; Y76-L89 HydrophobicContact CD1-CD1 3.75Å; Y76-L89 HydrophobicContact CD1-CD2 4.37Å; Y76-L89 HydrophobicContact CE1-CD1 3.9Å; Y76-L89 HydrophobicContact CE1-CD2 3.67Å; Y76-L89 HydrophobicContact CE1-CG 4.34Å; Y76-L89 HydrophobicContact CE2-CD2 4.17Å; Y76-L89 HydrophobicContact CG-CD1 4.09Å; Y76-F114 HydrophobicContact CE2-CE2 4.06Å; Y76-F114 HydrophobicContact CE2-CZ 4.46Å; Y76-L146 WeakPolarHBondContact OH-CD1 3.33Å; Y76-F148 AromaticContact CD1-CE2 3.55Å; Y76-F148 HydrophobicContact CD1-CE2 3.55Å; Y76-F148 HydrophobicContact CD1-CZ 4Å; Y76-F148 HydrophobicContact CD2-CZ 4.42Å; Y76-F148 AromaticContact CE1-CE2 3.68Å; Y76-F148 HydrophobicContact CE1-CE2 3.68Å; Y76-F148 AromaticContact CE1-CZ 3.98Å; Y76-F148 HydrophobicContact CE1-CZ 3.98Å; Y76-F148 HydrophobicContact CE2-CZ 4.41Å; Y76-F148 HydrophobicContact CG-CE2 4.12Å; Y76-F148 HydrophobicContact CG-CZ 4.22Å; Y76-Y196 AromaticContact CD1-CD1 3.84Å; Y76-Y196 HydrophobicContact CD1-CD1 3.84Å; Y76-Y196 AromaticContact CD1-CD2 3.96Å; Y76-Y196 HydrophobicContact CD1-CD2 3.96Å; Y76-Y196 HydrophobicContact CD1-CE1 4.29Å; Y76-Y196 HydrophobicContact CD1-CE2 4.41Å; Y76-Y196 AromaticContact CD1-CG 3.64Å; Y76-Y196 HydrophobicContact CD1-CG 3.64Å; Y76-Y196 HydrophobicContact CE1-CD1 4.16Å; Y76-Y196 HydrophobicContact CE1-CG 4Å
77	F	93.5	Very high	92.8	Very high	80 Å²	80	53 Å²	53	35%	0.351	25%	0.245	S	C	.	.			trans	-105.1	102.4	-179.5	-172.2	-106.6	0	0	0	109.5	L75 R79 Y196	L75-F77 PolarHBondContact O-N 2.84Å; F77-R79 HydrophobicContact CD1-CG 4.43Å; F77-R79 HydrophobicContact CE1-CG 3.77Å; F77-R79 HydrophobicContact CZ-CG 4.08Å; F77-Y196 PolarHBondContact N-OH 3.31Å; F77-Y196 PolarHBondContact O-OH 3.08Å
78	I	94.9	Very high	93.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.258	C	S	.	.			trans	-111.5	120.4	-174	-59.2	-179.7	0	0	0	108.6	N24 V25 L27 L116 I150 V198 W200	N24-I78 PolarHBondContact OD1-O 2.81Å; V25-I78 HydrophobicContact CB-CG2 4.34Å; V25-I78 PolarHBondContact N-O 2.82Å; L27-I78 HydrophobicContact CB-CD1 4.13Å; L27-I78 HydrophobicContact CD2-CD1 4.3Å; I78-L116 HydrophobicContact CD1-CD1 4.21Å; I78-I150 HydrophobicContact CD1-CD1 4.44Å; I78-I150 HydrophobicContact CG2-CD1 3.77Å; I78-V198 HydrophobicContact CG1-CG2 4.1Å; I78-V198 HydrophobicContact CG2-CG1 4.11Å; I78-W200 HydrophobicContact CG2-CZ2 3.78Å
79	R	95.3	Very high	93.8	Very high	104 Å²	104	56.3 Å²	56.3	39%	0.392	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-107.1	137.5	175.2	-76.7	-177.3	175	171.4	5.9	110.9	D23 F77 Q81 E82 W200	D23-R79 CarbonylContact O-C 3.44Å; D23-R79 WeakPolarHBondContact O-CA 3.32Å; F77-R79 HydrophobicContact CD1-CG 4.43Å; F77-R79 HydrophobicContact CE1-CG 3.77Å; F77-R79 HydrophobicContact CZ-CG 4.08Å; R79-Q81 PolarHBondContact O-N 3.44Å; R79-E82 HydrophobicContact CB-CB 3.91Å; R79-E82 HydrophobicContact CB-CG 4.1Å; R79-E82 WeakPolarHBondContact CB-OE2 3.05Å; R79-E82 WeakPolarHBondContact CD-OE2 3.32Å; R79-E82 IonicContact NH1-OE2 3.65Å; R79-E82 PolarHBondContact O-N 3.31Å; R79-W200 WeakPolarHBondContact O-CZ2 3.22Å; R79-W200 PolarHBondContact O-NE1 3.28Å
80	F	95.1	Very high	94	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	125.7	-176.7	-170.5	-111.5	0	0	0	111.3	Y19 K20 G22 D23 V25 E82 Y152 G154 V157 W200	Y19-F80 HydrophobicContact CG-CD2 4.35Å; K20-F80 WeakPolarHBondContact O-CD1 3.12Å; G22-F80 PolarHBondContact N-O 2.79Å; D23-F80 PolarHBondContact O-N 2.87Å; V25-F80 HydrophobicContact CG2-CB 3.91Å; V25-F80 HydrophobicContact CG2-CD2 4.18Å; F80-E82 PolarHBondContact O-N 2.83Å; F80-Y152 HydrophobicContact CE2-CG 4.44Å; F80-Y152 HydrophobicContact CZ-CD2 4.04Å; F80-Y152 HydrophobicContact CZ-CG 4.28Å; F80-G154 WeakPolarHBondContact CZ-O 3.32Å; F80-V157 HydrophobicContact CD2-CG2 4.37Å; F80-V157 HydrophobicContact CE2-CG2 4.12Å; F80-W200 HydrophobicContact CD2-CE3 4.38Å; F80-W200 AromaticContact CD2-CH2 3.49Å; F80-W200 HydrophobicContact CD2-CH2 3.49Å; F80-W200 VanDerWaalsContact CD2-CH2 3.49Å; F80-W200 HydrophobicContact CD2-CZ2 4.26Å; F80-W200 AromaticContact CD2-CZ3 3.54Å; F80-W200 HydrophobicContact CD2-CZ3 3.54Å; F80-W200 HydrophobicContact CE2-CE3 4.43Å; F80-W200 HydrophobicContact CE2-CH2 4.1Å; F80-W200 AromaticContact CE2-CZ3 3.68Å; F80-W200 HydrophobicContact CE2-CZ3 3.68Å; F80-W200 HydrophobicContact CG-CH2 4.41Å
81	Q	92.8	Very high	94.1	Very high	52 Å²	52	63.2 Å²	63.2	24%	0.243	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	25.5	-176.7	-57.6	176.6	4.2	0	0	115.4	K21 R79 Y152	K21-Q81 HydrophobicContact CG-CB 4.26Å; R79-Q81 PolarHBondContact O-N 3.44Å; Q81-Y152 HydrophobicContact CG-CD2 4.11Å; Q81-Y152 HydrophobicContact CG-CE1 4.22Å; Q81-Y152 HydrophobicContact CG-CE2 3.81Å; Q81-Y152 HydrophobicContact CG-CG 4.46Å
82	E	94.9	Very high	94	Very high	68 Å²	68	64.6 Å²	64.6	32%	0.318	31%	0.307	S	S	.	.			trans	-115.1	114	172.7	-68	-174.1	-173.3	0	0	110.4	R79 F80 W200	R79-E82 HydrophobicContact CB-CB 3.91Å; R79-E82 HydrophobicContact CB-CG 4.1Å; R79-E82 WeakPolarHBondContact CB-OE2 3.05Å; R79-E82 WeakPolarHBondContact CD-OE2 3.32Å; R79-E82 IonicContact NH1-OE2 3.65Å; R79-E82 PolarHBondContact O-N 3.31Å; F80-E82 PolarHBondContact O-N 2.83Å; E82-W200 VanDerWaalsContact O-CD1 3.31Å; E82-W200 PolarHBondContact O-NE1 3.43Å
83	N	95.2	Very high	93.9	Very high	101 Å²	101	68.4 Å²	68.4	54%	0.54	33%	0.33	S	S	.	.			trans	-76.6	142.6	175	-67.7	-15.3	0	0	0	110.4	V198 W200	N83-V198 CarbonylContact C-O 3.53Å; N83-V198 VanDerWaalsContact CA-O 3.26Å; N83-V198 WeakPolarHBondContact CA-O 3.46Å; N83-W200 PolarHBondContact OD1-N 3.3Å
84	V	94.9	Very high	93.6	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.2	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.1	179.7	178.4	0	0	0	0	107.8	K87 S197 V198	V84-K87 HydrophobicContact CG1-CB 3.44Å; V84-K87 VanDerWaalsContact CG1-CB 3.44Å; V84-K87 HydrophobicContact CG1-CD 3.77Å; V84-K87 HydrophobicContact CG1-CG 4.27Å; V84-S197 CarbonylContact O-C 3.59Å; V84-S197 WeakPolarHBondContact O-CA 3.34Å; V84-S197 WeakPolarHBondContact O-CB 3.36Å; V84-V198 HydrophobicContact CB-CB 4.27Å; V84-V198 HydrophobicContact CB-CG2 4.43Å; V84-V198 PolarHBondContact N-O 3.08Å; V84-V198 PolarHBondContact O-N 2.91Å
85	D	93.2	Very high	93.5	Very high	117 Å²	117	65.6 Å²	65.6	63%	0.626	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.4	177.9	-72.7	-48.8	0	0	0	111.1	K87	D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 3.01Å; D85-K87 VanDerWaalsContact O-N 3.13Å
86	R	90.6	Very high	93.1	Very high	189 Å²	189	68 Å²	68	71%	0.713	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.1	43.7	172.9	-59.4	-172.9	82	172	6.4	115	Y196 S197	R86-Y196 CarbonylContact C-O 3.53Å; R86-Y196 WeakPolarHBondContact CA-O 3.22Å; R86-Y196 PolarHBondContact N-O 3.5Å; R86-S197 PolarHBondContact N-OG 3.33Å
87	K	94.9	Very high	92.9	Very high	83 Å²	83	74.9 Å²	74.9	36%	0.361	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.6	173	-177.4	168.6	172.8	-166.5	0	110.3	V84 D85 L89 T195 Y196	V84-K87 HydrophobicContact CG1-CB 3.44Å; V84-K87 VanDerWaalsContact CG1-CB 3.44Å; V84-K87 HydrophobicContact CG1-CD 3.77Å; V84-K87 HydrophobicContact CG1-CG 4.27Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 3.01Å; D85-K87 VanDerWaalsContact O-N 3.13Å; K87-L89 PolarHBondContact O-N 3.29Å; K87-T195 CarbonylContact O-C 3.42Å; K87-T195 WeakPolarHBondContact O-CA 3.37Å; K87-T195 WeakPolarHBondContact O-CB 3.43Å; K87-Y196 HydrophobicContact CB-CD1 4.4Å; K87-Y196 HydrophobicContact CB-CE1 4.05Å; K87-Y196 HydrophobicContact CD-CE1 4.19Å; K87-Y196 HydrophobicContact CD-CE2 4.47Å; K87-Y196 WeakPolarHBondContact CD-OH 3.44Å; K87-Y196 WeakPolarHBondContact CE-OH 3.49Å; K87-Y196 HydrophobicContact CG-CE1 3.95Å; K87-Y196 PolarHBondContact N-O 3.46Å; K87-Y196 PolarHBondContact NZ-OH 3.27Å; K87-Y196 WeakPolarHBondContact O-CD1 3.4Å; K87-Y196 PolarHBondContact O-N 2.86Å
88	T	95.2	Very high	92.8	Very high	79 Å²	79	74.1 Å²	74.1	49%	0.485	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.9	175	-50.4	0	0	0	0	110.3	T193	T88-T193 HydrophobicContact CG2-CG2 3.77Å
89	L	94	Very high	92.6	Very high	30 Å²	30	74.5 Å²	74.5	16%	0.157	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-59.5	174.4	-173.8	71.6	0	0	0	110	C50 L75 Y76 K87 H194 Y196	C50-L89 HydrophobicContact CB-CD2 3.83Å; C50-L89 HydrophobicContact CB-CG 4.32Å; L75-L89 HydrophobicContact CB-CD1 3.67Å; L75-L89 HydrophobicContact CB-CG 4.28Å; L75-L89 WeakPolarHBondContact O-CD1 3.42Å; Y76-L89 HydrophobicContact CD1-CD1 3.75Å; Y76-L89 HydrophobicContact CD1-CD2 4.37Å; Y76-L89 HydrophobicContact CE1-CD1 3.9Å; Y76-L89 HydrophobicContact CE1-CD2 3.67Å; Y76-L89 HydrophobicContact CE1-CG 4.34Å; Y76-L89 HydrophobicContact CE2-CD2 4.17Å; Y76-L89 HydrophobicContact CG-CD1 4.09Å; K87-L89 PolarHBondContact O-N 3.29Å; L89-H194 HydrophobicContact CB-CB 4.19Å; L89-H194 HydrophobicContact CD2-CB 4.32Å; L89-H194 PolarHBondContact N-O 3.12Å; L89-Y196 HydrophobicContact CB-CD1 4Å; L89-Y196 HydrophobicContact CB-CE1 4.29Å; L89-Y196 HydrophobicContact CD1-CD1 4.03Å; L89-Y196 HydrophobicContact CD1-CE1 3.87Å
90	C	94.2	Very high	92.3	Very high	29 Å²	29	72.8 Å²	72.8	20%	0.196	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	163	177	93.2	0	0	0	0	111.4	C50 H194	C50-C90 VanDerWaalsContact CA-SG 3.59Å; C50-C90 HydrophobicContact CB-CB 3.87Å; C50-C90 WeakPolarHBondContact CB-SG 3.47Å; C50-C90 WeakPolarHBondContact SG-CB 3.45Å; C50-C90 CovalentContact SG-SG 2.03Å; C50-C90 PolarHBondContact SG-SG 2.99Å; C90-H194 PolarHBondContact O-N 2.82Å
91	K	93.4	Very high	92.2	Very high	164 Å²	164	77.5 Å²	77.5	71%	0.713	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.2	164	-68.3	-176.3	177.8	-179.9	0	107.7	T193	K91-T193 HydrophobicContact CG-CG2 4.08Å
92	L	91.1	Very high	92.1	Very high	31 Å²	31	75 Å²	75	16%	0.162	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	-174.5	-172.6	64.8	0	0	0	109.1	P48 L94 T191 V192	P48-L92 WeakPolarHBondContact O-CD2 3.4Å; L92-L94 HydrophobicContact CD2-CD2 3.59Å; L92-L94 HydrophobicContact CD2-CG 4.13Å; L92-L94 HydrophobicContact CG-CD2 3.85Å; L92-L94 HydrophobicContact CG-CG 4.14Å; L92-T191 CarbonylContact O-C 3.46Å; L92-T191 VanDerWaalsContact O-CA 3.32Å; L92-T191 WeakPolarHBondContact O-CA 3.4Å; L92-V192 PolarHBondContact N-O 3Å; L92-V192 PolarHBondContact O-N 3.03Å
93	T	91.2	Very high	91.9	Very high	80 Å²	80	73.4 Å²	73.4	49%	0.491	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.3	173.2	-59	0	0	0	0	108	T191	T93-T191 PolarHBondContact OG1-OG1 3.46Å
94	L	88.9	Confident	91.7	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.8	-174.7	-63.5	169.7	0	0	0	110.3	P48 L92 Q98 V99 L102 S189 L190 V192	P48-L94 HydrophobicContact CB-CD2 3.88Å; P48-L94 HydrophobicContact CG-CD2 4.41Å; L92-L94 HydrophobicContact CD2-CD2 3.59Å; L92-L94 HydrophobicContact CD2-CG 4.13Å; L92-L94 HydrophobicContact CG-CD2 3.85Å; L92-L94 HydrophobicContact CG-CG 4.14Å; L94-Q98 HydrophobicContact CB-CB 4.43Å; L94-Q98 HydrophobicContact CD2-CB 4.05Å; L94-V99 HydrophobicContact CB-CG2 3.85Å; L94-V99 HydrophobicContact CD1-CG2 4.31Å; L94-L102 HydrophobicContact CD1-CD1 3.86Å; L94-L102 HydrophobicContact CD2-CD1 4.38Å; L94-S189 CarbonylContact O-C 3.55Å; L94-S189 VanDerWaalsContact O-CA 3.27Å; L94-S189 WeakPolarHBondContact O-CA 3.28Å; L94-L190 HydrophobicContact CB-CB 4.44Å; L94-L190 PolarHBondContact N-O 2.77Å; L94-L190 PolarHBondContact O-N 3.26Å; L94-V192 HydrophobicContact CD1-CG2 4.32Å
95	S	90.9	Very high	91.6	Very high	52 Å²	52	73 Å²	73	36%	0.364	35%	0.354	S	S	.	.			trans	-77.6	162.1	166.3	63	0	0	0	0	111.3	K97 Q98 V99	S95-K97 VanDerWaalsContact C-N 3.29Å; S95-K97 PolarHBondContact O-N 2.96Å; S95-Q98 WeakPolarHBondContact O-CB 3.49Å; S95-Q98 PolarHBondContact O-N 2.79Å; S95-Q98 WeakPolarHBondContact OG-CG 3.35Å; S95-Q98 PolarHBondContact OG-OE1 3.27Å; S95-V99 PolarHBondContact O-N 3.17Å
96	E	87.7	Confident	91.5	Very high	118 Å²	118	67.6 Å²	67.6	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-51.9	-45.7	177.2	-170.8	172.9	-162.4	0	0	112.4	Q98 V99 D100	E96-Q98 VanDerWaalsContact C-N 3.32Å; E96-Q98 PolarHBondContact O-N 2.87Å; E96-V99 WeakPolarHBondContact O-CB 3.29Å; E96-V99 PolarHBondContact O-N 3.2Å; E96-V99 VanDerWaalsContact O-N 3.12Å; E96-D100 PolarHBondContact O-N 2.97Å
97	K	89.7	Confident	91.5	Very high	161 Å²	161	62.8 Å²	62.8	70%	0.7	31%	0.311	S	S	*	.	H	α-helix	trans	-58.8	-41	176.1	-67.4	-173.1	176.2	-174	0	113.4	S95 V99 D100 E101	S95-K97 VanDerWaalsContact C-N 3.29Å; S95-K97 PolarHBondContact O-N 2.96Å; K97-V99 VanDerWaalsContact C-N 3.33Å; K97-D100 PolarHBondContact O-N 3.48Å; K97-E101 WeakPolarHBondContact O-CG 3.24Å; K97-E101 PolarHBondContact O-N 3.27Å
98	Q	91.1	Very high	91.2	Very high	64 Å²	64	62.7 Å²	62.7	30%	0.299	31%	0.311	S	S	.	.	H	α-helix	trans	-71.8	-30.7	179.2	-71.2	171.8	-51.1	0	0	112.2	P48 L94 S95 E96 L102	P48-Q98 HydrophobicContact CB-CB 3.75Å; P48-Q98 HydrophobicContact CB-CG 3.81Å; P48-Q98 HydrophobicContact CG-CB 3.83Å; P48-Q98 HydrophobicContact CG-CG 4.27Å; P48-Q98 WeakPolarHBondContact CG-O 3.24Å; L94-Q98 HydrophobicContact CB-CB 4.43Å; L94-Q98 HydrophobicContact CD2-CB 4.05Å; S95-Q98 WeakPolarHBondContact O-CB 3.49Å; S95-Q98 PolarHBondContact O-N 2.79Å; S95-Q98 WeakPolarHBondContact OG-CG 3.35Å; S95-Q98 PolarHBondContact OG-OE1 3.27Å; E96-Q98 VanDerWaalsContact C-N 3.32Å; E96-Q98 PolarHBondContact O-N 2.87Å; Q98-L102 WeakPolarHBondContact O-CG 3.32Å; Q98-L102 PolarHBondContact O-N 3.3Å; Q98-L102 VanDerWaalsContact O-N 3.11Å
99	V	90.1	Very high	91	Very high	9 Å²	9	61.7 Å²	61.7	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-42.7	171.8	173.7	0	0	0	0	110	L94 S95 E96 K97 L102 R103 L172 L190	L94-V99 HydrophobicContact CB-CG2 3.85Å; L94-V99 HydrophobicContact CD1-CG2 4.31Å; S95-V99 PolarHBondContact O-N 3.17Å; E96-V99 WeakPolarHBondContact O-CB 3.29Å; E96-V99 PolarHBondContact O-N 3.2Å; E96-V99 VanDerWaalsContact O-N 3.12Å; K97-V99 VanDerWaalsContact C-N 3.33Å; V99-L102 PolarHBondContact O-N 2.93Å; V99-R103 WeakPolarHBondContact O-CB 3.14Å; V99-R103 PolarHBondContact O-N 3.09Å; V99-L172 HydrophobicContact CG1-CD2 4.29Å; V99-L190 HydrophobicContact CG2-CB 4.11Å; V99-L190 HydrophobicContact CG2-CD2 3.9Å
100	D	89.8	Confident	91	Very high	67 Å²	67	61.6 Å²	61.6	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-43.9	176.6	-63.4	-23.3	0	0	0	111.6	E96 K97 L102 R103 E104	E96-D100 PolarHBondContact O-N 2.97Å; K97-D100 PolarHBondContact O-N 3.48Å; D100-L102 VanDerWaalsContact C-N 3.34Å; D100-L102 PolarHBondContact O-N 3.13Å; D100-R103 WeakPolarHBondContact O-CB 3.39Å; D100-R103 PolarHBondContact O-N 2.65Å; D100-R103 VanDerWaalsContact O-N 3.1Å; D100-R103 IonicContact OD1-CZ 3.44Å; D100-R103 IonicContact OD1-NH1 3.65Å; D100-R103 PolarHBondContact OD1-NH1 3.13Å; D100-R103 IonicContact OD1-NH2 2.71Å; D100-E104 PolarHBondContact O-N 2.79Å
101	E	91.7	Very high	90.9	Very high	99 Å²	99	60.6 Å²	60.6	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-57.2	-43	174	-75.7	170.3	-170	0	0	112.3	K97 A105	K97-E101 WeakPolarHBondContact O-CG 3.24Å; K97-E101 PolarHBondContact O-N 3.27Å; E101-A105 WeakPolarHBondContact O-CB 3.07Å; E101-A105 PolarHBondContact O-N 3.12Å; E101-A105 VanDerWaalsContact O-N 3.08Å
102	L	91.8	Very high	90.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-69.1	-36.5	175.2	-73.5	169.9	0	0	0	112.2	P48 L94 Q98 V99 D100 A105 I106 V125 L142 L172	P48-L102 HydrophobicContact CG-CD1 3.85Å; P48-L102 HydrophobicContact CG-CD2 3.94Å; P48-L102 HydrophobicContact CG-CG 3.53Å; L94-L102 HydrophobicContact CD1-CD1 3.86Å; L94-L102 HydrophobicContact CD2-CD1 4.38Å; Q98-L102 WeakPolarHBondContact O-CG 3.32Å; Q98-L102 PolarHBondContact O-N 3.3Å; Q98-L102 VanDerWaalsContact O-N 3.11Å; V99-L102 PolarHBondContact O-N 2.93Å; D100-L102 VanDerWaalsContact C-N 3.34Å; D100-L102 PolarHBondContact O-N 3.13Å; L102-A105 PolarHBondContact O-N 3.13Å; L102-I106 WeakPolarHBondContact O-CD1 3.45Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.2Å; L102-V125 HydrophobicContact CD2-CG1 4.43Å; L102-L142 HydrophobicContact CD1-CD2 4.28Å; L102-L142 HydrophobicContact CD2-CD1 4.48Å; L102-L172 HydrophobicContact CB-CD1 4.17Å
103	R	90.6	Very high	91	Very high	34 Å²	34	52.2 Å²	52.2	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-51	178.9	-168.6	-176.1	-60.8	109.4	0.3	110.1	V99 D100 A105 I106 E107 V140 E173	V99-R103 WeakPolarHBondContact O-CB 3.14Å; V99-R103 PolarHBondContact O-N 3.09Å; D100-R103 WeakPolarHBondContact O-CB 3.39Å; D100-R103 PolarHBondContact O-N 2.65Å; D100-R103 VanDerWaalsContact O-N 3.1Å; D100-R103 IonicContact OD1-CZ 3.44Å; D100-R103 IonicContact OD1-NH1 3.65Å; D100-R103 PolarHBondContact OD1-NH1 3.13Å; D100-R103 IonicContact OD1-NH2 2.71Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 2.91Å; R103-I106 PolarHBondContact O-N 2.84Å; R103-I106 VanDerWaalsContact O-N 3.12Å; R103-E107 WeakPolarHBondContact O-CG 3.12Å; R103-E107 PolarHBondContact O-N 2.78Å; R103-V140 HydrophobicContact CG-CB 4.14Å; R103-V140 HydrophobicContact CG-CG1 4.04Å; R103-V140 HydrophobicContact CG-CG2 4.02Å; R103-E173 PolarHBondContact NH2-O 3.39Å
104	E	90.8	Very high	91.2	Very high	121 Å²	121	48.4 Å²	48.4	57%	0.565	23%	0.232	S	C	*	.	H	α-helix	trans	-57.6	-46.5	176.8	-173.7	174.4	-167.9	0	0	111	D100 I106 E107 E108	D100-E104 PolarHBondContact O-N 2.79Å; E104-I106 VanDerWaalsContact C-N 3.32Å; E104-I106 PolarHBondContact O-N 2.87Å; E104-E107 PolarHBondContact O-N 3.2Å; E104-E108 PolarHBondContact O-N 2.78Å
105	A	92	Very high	91.4	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-39.3	176.4	0	0	0	0	0	113	L47 E101 L102 R103 L109 Y110	L47-A105 HydrophobicContact CD2-CB 4.02Å; E101-A105 WeakPolarHBondContact O-CB 3.07Å; E101-A105 PolarHBondContact O-N 3.12Å; E101-A105 VanDerWaalsContact O-N 3.08Å; L102-A105 PolarHBondContact O-N 3.13Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 2.91Å; A105-L109 PolarHBondContact O-N 3.15Å; A105-Y110 HydrophobicContact CB-CD1 4.07Å; A105-Y110 HydrophobicContact CB-CD2 3.8Å; A105-Y110 HydrophobicContact CB-CE1 4.44Å; A105-Y110 HydrophobicContact CB-CE2 4.19Å; A105-Y110 HydrophobicContact CB-CG 3.72Å; A105-Y110 WeakPolarHBondContact O-CB 3.38Å; A105-Y110 WeakPolarHBondContact O-CD1 3.27Å; A105-Y110 PolarHBondContact O-N 3.3Å
106	I	91.7	Very high	91.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-73	-37.3	179.1	-64.3	163	0	0	0	111.1	L102 R103 E104 E108 L109 V125 V140 L142 L172	L102-I106 WeakPolarHBondContact O-CD1 3.45Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.2Å; R103-I106 PolarHBondContact O-N 2.84Å; R103-I106 VanDerWaalsContact O-N 3.12Å; E104-I106 VanDerWaalsContact C-N 3.32Å; E104-I106 PolarHBondContact O-N 2.87Å; I106-E108 VanDerWaalsContact C-N 3.31Å; I106-E108 PolarHBondContact O-N 3.37Å; I106-L109 WeakPolarHBondContact O-CA 3.34Å; I106-L109 PolarHBondContact O-N 3.28Å; I106-V125 HydrophobicContact CG1-CG1 4.29Å; I106-V140 HydrophobicContact CB-CG1 3.65Å; I106-V140 HydrophobicContact CD1-CG1 3.89Å; I106-V140 HydrophobicContact CG1-CG1 4.39Å; I106-V140 HydrophobicContact CG2-CG1 3.55Å; I106-L142 HydrophobicContact CD1-CB 4.38Å; I106-L142 HydrophobicContact CD1-CD1 4.19Å; I106-L172 HydrophobicContact CD1-CD1 3.79Å
107	E	89.8	Confident	91.4	Very high	89 Å²	89	41.3 Å²	41.3	42%	0.416	19%	0.193	S	C	.	.	H	α-helix	trans	-63.3	-37	174.9	-72.9	174.7	-178.9	0	0	112	R103 E104 L109 I128 V140	R103-E107 WeakPolarHBondContact O-CG 3.12Å; R103-E107 PolarHBondContact O-N 2.78Å; E104-E107 PolarHBondContact O-N 3.2Å; E107-L109 PolarHBondContact O-N 3.27Å; E107-I128 HydrophobicContact CG-CD1 4.34Å; E107-V140 HydrophobicContact CG-CG2 3.9Å
108	E	89.3	Confident	91.2	Very high	81 Å²	81	37.3 Å²	37.3	38%	0.379	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	9.5	171.8	-65.3	-164.3	153.5	0	0	113.8	P34 Y35 E104 I106 Y110	P34-E108 WeakPolarHBondContact CA-O 3.13Å; P34-E108 HydrophobicContact CB-CB 4.2Å; Y35-E108 PolarHBondContact N-O 3.08Å; E104-E108 PolarHBondContact O-N 2.78Å; I106-E108 VanDerWaalsContact C-N 3.31Å; I106-E108 PolarHBondContact O-N 3.37Å; E108-Y110 HydrophobicContact CB-CD1 3.78Å; E108-Y110 HydrophobicContact CB-CE1 3.63Å; E108-Y110 HydrophobicContact CG-CE1 4.48Å; E108-Y110 PolarHBondContact O-N 3.06Å; E108-Y110 VanDerWaalsContact OE2-CE1 3.24Å; E108-Y110 WeakPolarHBondContact OE2-CE1 3.34Å; E108-Y110 PolarHBondContact OE2-OH 3.42Å
109	L	90.9	Very high	90.9	Very high	58 Å²	58	34.2 Å²	34.2	30%	0.304	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	46.8	179.4	-63.3	171.7	0	0	0	112.8	Y35 A105 I106 E107 Y111 F124 I128	Y35-L109 WeakPolarHBondContact CB-O 3.5Å; Y35-L109 PolarHBondContact N-O 3.47Å; A105-L109 PolarHBondContact O-N 3.15Å; I106-L109 WeakPolarHBondContact O-CA 3.34Å; I106-L109 PolarHBondContact O-N 3.28Å; E107-L109 PolarHBondContact O-N 3.27Å; L109-Y111 PolarHBondContact O-N 3.35Å; L109-F124 HydrophobicContact CB-CE1 4.43Å; L109-I128 HydrophobicContact CD2-CG2 3.76Å
110	Y	93.6	Very high	90.8	Very high	28 Å²	28	34.3 Å²	34.3	11%	0.11	17%	0.166	C	C	.	.			trans	-59.1	130	179.5	-86.9	41.7	0	0	0	111	V32 G33 P34 Y42 L47 A105 E108 V125	V32-Y110 HydrophobicContact CB-CD2 4.48Å; G33-Y110 VanDerWaalsContact O-CA 3.28Å; G33-Y110 WeakPolarHBondContact O-CA 3.41Å; P34-Y110 HydrophobicContact CB-CD1 3.99Å; P34-Y110 HydrophobicContact CB-CE1 3.66Å; P34-Y110 HydrophobicContact CG-CE1 4.14Å; Y42-Y110 HydrophobicContact CD2-CE2 4.43Å; L47-Y110 HydrophobicContact CD1-CD2 4.48Å; L47-Y110 HydrophobicContact CD2-CD2 4.48Å; A105-Y110 HydrophobicContact CB-CD1 4.07Å; A105-Y110 HydrophobicContact CB-CD2 3.8Å; A105-Y110 HydrophobicContact CB-CE1 4.44Å; A105-Y110 HydrophobicContact CB-CE2 4.19Å; A105-Y110 HydrophobicContact CB-CG 3.72Å; A105-Y110 WeakPolarHBondContact O-CB 3.38Å; A105-Y110 WeakPolarHBondContact O-CD1 3.27Å; A105-Y110 PolarHBondContact O-N 3.3Å; E108-Y110 HydrophobicContact CB-CD1 3.78Å; E108-Y110 HydrophobicContact CB-CE1 3.63Å; E108-Y110 HydrophobicContact CG-CE1 4.48Å; E108-Y110 PolarHBondContact O-N 3.06Å; E108-Y110 VanDerWaalsContact OE2-CE1 3.24Å; E108-Y110 WeakPolarHBondContact OE2-CE1 3.34Å; E108-Y110 PolarHBondContact OE2-OH 3.42Å; Y110-V125 PolarHBondContact O-N 3.4Å
111	Y	92.8	Very high	90.9	Very high	8 Å²	8	31.2 Å²	31.2	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	155.1	169.1	75.9	-71.6	0	0	0	109.3	V32 G33 L109 G123 F220 R480	V32-Y111 WeakPolarHBondContact CA-O 3.12Å; G33-Y111 PolarHBondContact N-O 3.01Å; G33-Y111 VanDerWaalsContact N-O 3.14Å; G33-Y111 WeakPolarHBondContact O-CD1 3.44Å; G33-Y111 VanDerWaalsContact O-CE1 3.25Å; G33-Y111 WeakPolarHBondContact O-CE1 3.24Å; G33-Y111 PolarHBondContact O-N 2.78Å; L109-Y111 PolarHBondContact O-N 3.35Å; Y111-G123 CarbonylContact C-O 3.55Å; Y111-G123 WeakPolarHBondContact CA-O 3.33Å; Y111-G123 WeakPolarHBondContact CB-O 3.12Å; Y111-F220 HydrophobicContact CD2-CE1 4.44Å; Y111-F220 AromaticContact CD2-CZ 3.84Å; Y111-F220 HydrophobicContact CD2-CZ 3.84Å; Y111-F220 AromaticContact CE2-CZ 3.96Å; Y111-F220 HydrophobicContact CE2-CZ 3.96Å; Y111-F220 HydrophobicContact CG-CE1 4.43Å; Y111-F220 HydrophobicContact CG-CZ 4.24Å; Y111-R480 VanDerWaalsContact CZ-CZ 3.43Å
112	F	94.2	Very high	90.9	Very high	7 Å²	7	29 Å²	29	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.8	168.7	63.2	-98.7	0	0	0	110.1	K31 V32 Y44 F114 W122 G123 F124 V125 L146 V162	K31-F112 CarbonylContact O-C 3.57Å; K31-F112 WeakPolarHBondContact O-CA 3.32Å; V32-F112 HydrophobicContact CG1-CB 3.69Å; Y44-F112 HydrophobicContact CD2-CB 3.88Å; Y44-F112 HydrophobicContact CE2-CB 3.97Å; Y44-F112 HydrophobicContact CE2-CG 4.32Å; F112-F114 HydrophobicContact CB-CE1 4.18Å; F112-F114 AromaticContact CD2-CD1 3.85Å; F112-F114 HydrophobicContact CD2-CD1 3.85Å; F112-F114 AromaticContact CD2-CD2 3.97Å; F112-F114 HydrophobicContact CD2-CD2 3.97Å; F112-F114 AromaticContact CD2-CE1 3.63Å; F112-F114 HydrophobicContact CD2-CE1 3.63Å; F112-F114 AromaticContact CD2-CE2 3.77Å; F112-F114 HydrophobicContact CD2-CE2 3.77Å; F112-F114 HydrophobicContact CD2-CG 4.01Å; F112-F114 AromaticContact CD2-CZ 3.59Å; F112-F114 HydrophobicContact CD2-CZ 3.59Å; F112-F114 AromaticContact CE2-CD2 3.81Å; F112-F114 HydrophobicContact CE2-CD2 3.81Å; F112-F114 HydrophobicContact CE2-CE1 4.32Å; F112-F114 AromaticContact CE2-CE2 3.6Å; F112-F114 HydrophobicContact CE2-CE2 3.6Å; F112-F114 HydrophobicContact CE2-CG 4.27Å; F112-F114 AromaticContact CE2-CZ 3.87Å; F112-F114 HydrophobicContact CE2-CZ 3.87Å; F112-F114 HydrophobicContact CG-CE1 4.12Å; F112-F114 HydrophobicContact CG-CZ 4.13Å; F112-F114 HydrophobicContact CZ-CE2 4.36Å; F112-W122 WeakPolarHBondContact O-CA 3.4Å; F112-G123 VanDerWaalsContact CD1-O 3.22Å; F112-G123 WeakPolarHBondContact CD1-O 3.36Å; F112-G123 PolarHBondContact N-O 3.45Å; F112-G123 PolarHBondContact O-N 3.33Å; F112-F124 WeakPolarHBondContact CE1-O 3.26Å; F112-V125 HydrophobicContact CD1-CG2 4.26Å; F112-L146 HydrophobicContact CE1-CD2 4.47Å; F112-L146 HydrophobicContact CZ-CD1 4.01Å; F112-L146 HydrophobicContact CZ-CD2 4.18Å; F112-V162 HydrophobicContact CE2-CG1 4.12Å; F112-V162 HydrophobicContact CZ-CG1 4.03Å
113	E	93.3	Very high	90.9	Very high	11 Å²	11	29.2 Å²	29.2	5%	0.051	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.3	170.4	-176.4	-178	124.1	0	0	109	N30 K31 P120 I121 W122 H326	N30-E113 WeakPolarHBondContact CA-O 3.33Å; N30-E113 VanDerWaalsContact CB-O 3.23Å; N30-E113 WeakPolarHBondContact CB-O 3.5Å; N30-E113 PolarHBondContact N-O 3.45Å; N30-E113 PolarHBondContact ND2-OE1 3.13Å; K31-E113 WeakPolarHBondContact CE-OE2 3.04Å; K31-E113 HydrophobicContact CG-CB 4.2Å; K31-E113 PolarHBondContact N-O 3.23Å; K31-E113 PolarHBondContact O-N 2.93Å; E113-P120 HydrophobicContact CG-CB 4.43Å; E113-I121 CarbonylContact C-O 3.43Å; E113-I121 WeakPolarHBondContact CA-O 3.49Å; E113-W122 PolarHBondContact OE2-NE1 3.36Å; E113-W122 VanDerWaalsContact OE2-NE1 3.12Å; E113-H326 IonicContact OE1-CE1 2.96Å; E113-H326 PolarHBondContact OE1-CE1 3.43Å
114	F	94.9	Very high	90.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	163.4	169.4	-59.6	-18.7	0	0	0	109.9	L27 Y28 V29 Y44 Y76 F112 P120 I121 L146 F148	L27-F114 HydrophobicContact CD1-CB 3.96Å; L27-F114 HydrophobicContact CD2-CD2 4.02Å; L27-F114 HydrophobicContact CG-CB 4.41Å; Y28-F114 CarbonylContact O-C 3.44Å; Y28-F114 VanDerWaalsContact O-CA 3.28Å; Y28-F114 WeakPolarHBondContact O-CA 3.25Å; Y28-F114 WeakPolarHBondContact O-CB 3.29Å; V29-F114 HydrophobicContact CB-CD1 3.94Å; V29-F114 HydrophobicContact CB-CE1 3.94Å; V29-F114 HydrophobicContact CG1-CD1 3.79Å; V29-F114 HydrophobicContact CG1-CE1 3.56Å; V29-F114 HydrophobicContact CG1-CG 4.5Å; V29-F114 HydrophobicContact CG1-CZ 4.06Å; Y44-F114 HydrophobicContact CD1-CE1 4.08Å; Y44-F114 AromaticContact CD2-CE1 3.53Å; Y44-F114 HydrophobicContact CD2-CE1 3.53Å; Y44-F114 HydrophobicContact CD2-CZ 4.1Å; Y44-F114 HydrophobicContact CE1-CE1 4.06Å; Y44-F114 HydrophobicContact CE1-CZ 4.03Å; Y44-F114 AromaticContact CE2-CE1 3.55Å; Y44-F114 HydrophobicContact CE2-CE1 3.55Å; Y44-F114 AromaticContact CE2-CZ 3.6Å; Y44-F114 HydrophobicContact CE2-CZ 3.6Å; Y44-F114 AromaticContact CG-CE1 3.82Å; Y44-F114 HydrophobicContact CG-CE1 3.82Å; Y44-F114 AromaticContact CZ-CE1 3.83Å; Y44-F114 AromaticContact CZ-CZ 3.57Å; Y76-F114 HydrophobicContact CE2-CE2 4.06Å; Y76-F114 HydrophobicContact CE2-CZ 4.46Å; F112-F114 HydrophobicContact CB-CE1 4.18Å; F112-F114 AromaticContact CD2-CD1 3.85Å; F112-F114 HydrophobicContact CD2-CD1 3.85Å; F112-F114 AromaticContact CD2-CD2 3.97Å; F112-F114 HydrophobicContact CD2-CD2 3.97Å; F112-F114 AromaticContact CD2-CE1 3.63Å; F112-F114 HydrophobicContact CD2-CE1 3.63Å; F112-F114 AromaticContact CD2-CE2 3.77Å; F112-F114 HydrophobicContact CD2-CE2 3.77Å; F112-F114 HydrophobicContact CD2-CG 4.01Å; F112-F114 AromaticContact CD2-CZ 3.59Å; F112-F114 HydrophobicContact CD2-CZ 3.59Å; F112-F114 AromaticContact CE2-CD2 3.81Å; F112-F114 HydrophobicContact CE2-CD2 3.81Å; F112-F114 HydrophobicContact CE2-CE1 4.32Å; F112-F114 AromaticContact CE2-CE2 3.6Å; F112-F114 HydrophobicContact CE2-CE2 3.6Å; F112-F114 HydrophobicContact CE2-CG 4.27Å; F112-F114 AromaticContact CE2-CZ 3.87Å; F112-F114 HydrophobicContact CE2-CZ 3.87Å; F112-F114 HydrophobicContact CG-CE1 4.12Å; F112-F114 HydrophobicContact CG-CZ 4.13Å; F112-F114 HydrophobicContact CZ-CE2 4.36Å; F114-P120 CarbonylContact O-C 3.52Å; F114-P120 WeakPolarHBondContact O-CA 3.23Å; F114-I121 HydrophobicContact CB-CB 4.36Å; F114-I121 PolarHBondContact N-O 2.75Å; F114-I121 PolarHBondContact O-N 3.19Å; F114-L146 HydrophobicContact CE2-CD1 4.15Å; F114-F148 HydrophobicContact CD2-CE1 4.25Å; F114-F148 HydrophobicContact CD2-CZ 4.41Å; F114-F148 HydrophobicContact CE2-CZ 4.42Å
115	V	92.5	Very high	91	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.7	-180	-177.5	0	0	0	0	110	Y28 N30 M71 I119	Y28-V115 PolarHBondContact N-O 2.87Å; Y28-V115 PolarHBondContact O-N 3.21Å; N30-V115 HydrophobicContact CB-CG2 4.34Å; M71-V115 HydrophobicContact CE-CB 4.49Å; M71-V115 HydrophobicContact CE-CG1 4.46Å; M71-V115 HydrophobicContact CE-CG2 3.92Å; M71-V115 HydrophobicContact SD-CB 4.24Å; M71-V115 HydrophobicContact SD-CG1 4.35Å; M71-V115 HydrophobicContact SD-CG2 4.2Å; V115-I119 WeakPolarHBondContact CA-O 3.48Å
116	L	91.6	Very high	90.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.1	176	-171.5	78	0	0	0	108.9	V25 L27 I78 D118 I119 I121 I150 A160	V25-L116 HydrophobicContact CB-CD1 4.31Å; V25-L116 HydrophobicContact CG1-CD1 3.59Å; V25-L116 HydrophobicContact CG1-CD2 4.39Å; V25-L116 HydrophobicContact CG1-CG 3.89Å; L27-L116 HydrophobicContact CB-CD1 3.91Å; L27-L116 HydrophobicContact CD1-CB 3.78Å; L27-L116 HydrophobicContact CD1-CD1 3.93Å; L27-L116 HydrophobicContact CD1-CG 4.43Å; I78-L116 HydrophobicContact CD1-CD1 4.21Å; L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.41Å; L116-I119 PolarHBondContact N-O 2.77Å; L116-I119 WeakPolarHBondContact O-CA 3.37Å; L116-I119 WeakPolarHBondContact O-CB 3.5Å; L116-I119 PolarHBondContact O-N 2.81Å; L116-I121 HydrophobicContact CB-CD1 3.87Å; L116-I150 HydrophobicContact CD2-CD1 3.75Å; L116-I150 HydrophobicContact CD2-CG1 4.11Å; L116-I150 HydrophobicContact CD2-CG2 4.28Å; L116-A160 HydrophobicContact CD2-CB 3.94Å
117	D	87.9	Confident	90.7	Very high	21 Å²	21	31 Å²	31	11%	0.112	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	46.6	-177.6	-171.9	41.6	0	0	0	113.3	Y19 I119 V157 R210	Y19-D117 PolarHBondContact OH-OD1 3.01Å; D117-I119 PolarHBondContact O-N 2.8Å; D117-I119 VanDerWaalsContact O-N 3.13Å; D117-V157 HydrophobicContact CB-CB 4.33Å; D117-R210 PolarHBondContact O-NH1 2.83Å; D117-R210 PolarHBondContact O-NH2 2.84Å; D117-R210 IonicContact OD2-NH1 3.79Å; D117-R210 PolarHBondContact OD2-NH1 3.04Å
118	D	83.9	Confident	90.5	Very high	77 Å²	77	28.4 Å²	28.4	41%	0.412	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	22.2	-174.7	-55.2	-30.3	0	0	0	114.3	K58 L116	K58-D118 IonicContact NZ-OD1 3.03Å; K58-D118 PolarHBondContact NZ-OD1 3.08Å; L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.41Å
119	I	86.5	Confident	90.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118	170.8	-59.5	162.3	0	0	0	108.5	V115 L116 D117 V157 A160 R210 L214	V115-I119 WeakPolarHBondContact CA-O 3.48Å; L116-I119 PolarHBondContact N-O 2.77Å; L116-I119 WeakPolarHBondContact O-CA 3.37Å; L116-I119 WeakPolarHBondContact O-CB 3.5Å; L116-I119 PolarHBondContact O-N 2.81Å; D117-I119 PolarHBondContact O-N 2.8Å; D117-I119 VanDerWaalsContact O-N 3.13Å; I119-V157 HydrophobicContact CD1-CB 4.44Å; I119-V157 HydrophobicContact CD1-CG1 3.72Å; I119-A160 HydrophobicContact CG2-CB 4.32Å; I119-R210 VanDerWaalsContact CG1-CZ 3.45Å; I119-L214 HydrophobicContact CG1-CD2 4.49Å; I119-L214 HydrophobicContact CG2-CD2 3.7Å
120	P	88.3	Confident	89.4	Confident	11 Å²	11	33.5 Å²	33.5	7%	0.071	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.7	174.6	30	-34.9	0	0	0	111.1	E113 F114 W122	E113-P120 HydrophobicContact CG-CB 4.43Å; F114-P120 CarbonylContact O-C 3.52Å; F114-P120 WeakPolarHBondContact O-CA 3.23Å; P120-W122 HydrophobicContact CB-CH2 3.73Å; P120-W122 HydrophobicContact CB-CZ2 3.46Å; P120-W122 VanDerWaalsContact CB-CZ2 3.46Å; P120-W122 HydrophobicContact CB-CZ3 4.34Å; P120-W122 HydrophobicContact CG-CH2 3.34Å; P120-W122 HydrophobicContact CG-CZ2 3.54Å; P120-W122 HydrophobicContact CG-CZ3 4.07Å
121	I	91.1	Very high	88.2	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.3	178.1	-57.2	173.6	0	0	0	107.2	L27 E113 F114 L116 A160 V162	L27-I121 HydrophobicContact CD1-CD1 4.01Å; E113-I121 CarbonylContact C-O 3.43Å; E113-I121 WeakPolarHBondContact CA-O 3.49Å; F114-I121 HydrophobicContact CB-CB 4.36Å; F114-I121 PolarHBondContact N-O 2.75Å; F114-I121 PolarHBondContact O-N 3.19Å; L116-I121 HydrophobicContact CB-CD1 3.87Å; I121-A160 HydrophobicContact CD1-CB 3.61Å; I121-A160 HydrophobicContact CG1-CB 3.93Å; I121-V162 HydrophobicContact CG2-CB 3.69Å; I121-V162 HydrophobicContact CG2-CG1 3.63Å
122	W	91.1	Very high	86.4	Confident	52 Å²	52	36.1 Å²	36.1	20%	0.197	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.9	-178.9	-56.9	-80.1	0	0	0	111.9	F112 E113 P120 V162 Y217 F219	F112-W122 WeakPolarHBondContact O-CA 3.4Å; E113-W122 PolarHBondContact OE2-NE1 3.36Å; E113-W122 VanDerWaalsContact OE2-NE1 3.12Å; P120-W122 HydrophobicContact CB-CH2 3.73Å; P120-W122 HydrophobicContact CB-CZ2 3.46Å; P120-W122 VanDerWaalsContact CB-CZ2 3.46Å; P120-W122 HydrophobicContact CB-CZ3 4.34Å; P120-W122 HydrophobicContact CG-CH2 3.34Å; P120-W122 HydrophobicContact CG-CZ2 3.54Å; P120-W122 HydrophobicContact CG-CZ3 4.07Å; W122-V162 WeakPolarHBondContact O-CG1 3.44Å; W122-Y217 HydrophobicContact CE3-CE1 4.27Å; W122-Y217 HydrophobicContact CZ3-CD1 4.41Å; W122-Y217 HydrophobicContact CZ3-CE1 4.3Å; W122-F219 HydrophobicContact CB-CB 4.07Å; W122-F219 HydrophobicContact CB-CD1 3.4Å; W122-F219 HydrophobicContact CB-CD2 3.99Å; W122-F219 HydrophobicContact CB-CE1 3.74Å; W122-F219 HydrophobicContact CB-CE2 4.29Å; W122-F219 HydrophobicContact CB-CG 3.54Å; W122-F219 HydrophobicContact CB-CZ 4.18Å; W122-F219 HydrophobicContact CD2-CB 4.35Å; W122-F219 HydrophobicContact CE3-CB 3.82Å; W122-F219 HydrophobicContact CG-CD1 4.18Å; W122-F219 HydrophobicContact CG-CG 4.39Å; W122-F219 WeakPolarHBondContact O-CD2 3.22Å; W122-F219 VanDerWaalsContact O-CE2 3.24Å; W122-F219 WeakPolarHBondContact O-CE2 3.35Å
123	G	91.4	Very high	84.8	Confident	6 Å²	6	44.5 Å²	44.5	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159.3	172.8	0	0	0	0	0	111	Y111 F112	Y111-G123 CarbonylContact C-O 3.55Å; Y111-G123 WeakPolarHBondContact CA-O 3.33Å; Y111-G123 WeakPolarHBondContact CB-O 3.12Å; F112-G123 VanDerWaalsContact CD1-O 3.22Å; F112-G123 WeakPolarHBondContact CD1-O 3.36Å; F112-G123 PolarHBondContact N-O 3.45Å; F112-G123 PolarHBondContact O-N 3.33Å
124	F	92.1	Very high	83	Confident	76 Å²	76	50.8 Å²	50.8	33%	0.333	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	145.4	170.4	-70.2	-78.5	0	0	0	110.1	Y35 L109 F112 G126 W143 F219	Y35-F124 HydrophobicContact CD2-CE1 4.19Å; Y35-F124 HydrophobicContact CD2-CZ 4.18Å; Y35-F124 HydrophobicContact CG-CE1 4.47Å; L109-F124 HydrophobicContact CB-CE1 4.43Å; F112-F124 WeakPolarHBondContact CE1-O 3.26Å; F124-G126 VanDerWaalsContact C-N 3.32Å; F124-W143 VanDerWaalsContact O-CD1 3.31Å; F124-F219 HydrophobicContact CD2-CE1 4.31Å; F124-F219 AromaticContact CD2-CZ 3.65Å; F124-F219 HydrophobicContact CD2-CZ 3.65Å; F124-F219 AromaticContact CE2-CE1 3.87Å; F124-F219 HydrophobicContact CE2-CE1 3.87Å; F124-F219 AromaticContact CE2-CZ 3.57Å; F124-F219 HydrophobicContact CE2-CZ 3.57Å; F124-F219 HydrophobicContact CG-CZ 4.45Å; F124-F219 HydrophobicContact CZ-CE1 4.2Å; F124-F219 HydrophobicContact CZ-CZ 4.33Å
125	V	92.1	Very high	81.2	Confident	10 Å²	10	56.1 Å²	56.1	6%	0.061	30%	0.295	C	S	.	.	S	Bend	trans	-67.7	-36.5	178.3	175.5	0	0	0	0	110.9	L47 L102 I106 Y110 F112 L142 W143	L47-V125 HydrophobicContact CD1-CG1 4.43Å; L47-V125 HydrophobicContact CD1-CG2 3.97Å; L102-V125 HydrophobicContact CD2-CG1 4.43Å; I106-V125 HydrophobicContact CG1-CG1 4.29Å; Y110-V125 PolarHBondContact O-N 3.4Å; F112-V125 HydrophobicContact CD1-CG2 4.26Å; V125-L142 HydrophobicContact CG1-CD1 4.01Å; V125-W143 PolarHBondContact O-N 2.85Å
126	G	90.3	Very high	79.8	Confident	10 Å²	10	62.1 Å²	62.1	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	-163.9	179.4	0	0	0	0	0	113.3	F124 G141 W143	F124-G126 VanDerWaalsContact C-N 3.32Å; G126-G141 CarbonylContact C-O 3.54Å; G126-G141 WeakPolarHBondContact CA-O 3.46Å; G126-W143 VanDerWaalsContact C-CD1 3.5Å; G126-W143 PolarHBondContact O-NE1 3.44Å
127	Y	86.4	Confident	78.5	Confident	103 Å²	103	64.6 Å²	64.6	40%	0.404	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.6	-178.2	179.7	-109.5	0	0	0	109	E129 G141 W143 P169	Y127-E129 HydrophobicContact CD1-CB 4.48Å; Y127-E129 HydrophobicContact CE1-CB 3.72Å; Y127-E129 HydrophobicContact CE1-CG 4.34Å; Y127-G141 PolarHBondContact N-O 3.4Å; Y127-G141 PolarHBondContact O-N 3.07Å; Y127-W143 HydrophobicContact CD2-CZ2 4.13Å; Y127-W143 HydrophobicContact CG-CH2 4.46Å; Y127-W143 AromaticContact CG-CZ2 3.97Å; Y127-W143 HydrophobicContact CG-CZ2 3.97Å; Y127-P169 HydrophobicContact CD1-CG 4.05Å
128	I	86.1	Confident	77.7	Confident	36 Å²	36	68.6 Å²	68.6	19%	0.185	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.8	172.2	-172.2	168.4	0	0	0	108.5	E107 L109	E107-I128 HydrophobicContact CG-CD1 4.34Å; L109-I128 HydrophobicContact CD2-CG2 3.76Å
129	E	81.4	Confident	77.6	Confident	90 Å²	90	71 Å²	71	42%	0.421	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.2	170.9	-165.4	178.8	-170	0	0	108.5	Y127 K139	Y127-E129 HydrophobicContact CD1-CB 4.48Å; Y127-E129 HydrophobicContact CE1-CB 3.72Å; Y127-E129 HydrophobicContact CE1-CG 4.34Å; E129-K139 HydrophobicContact CB-CB 4.25Å; E129-K139 PolarHBondContact N-O 3.19Å; E129-K139 PolarHBondContact O-N 3.43Å
130	E	76.4	Confident	77.5	Confident	156 Å²	156	71.4 Å²	71.4	73%	0.729	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.1	170.9	-67	-176.9	174.8	0	0	108.7
131	S	67.3	Low	77.5	Confident	36 Å²	36	71 Å²	71	25%	0.252	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.6	178.3	46.1	0	0	0	0	111.7	S137	S131-S137 PolarHBondContact N-O 3.31Å; S131-S137 VanDerWaalsContact N-O 3.15Å; S131-S137 PolarHBondContact O-N 3.27Å; S131-S137 PolarHBondContact O-OG 3.04Å; S131-S137 PolarHBondContact OG-O 3.3Å; S131-S137 PolarHBondContact OG-OG 3.2Å
132	G	55.7	Low	77.5	Confident	54 Å²	54	71.3 Å²	71.3	56%	0.557	37%	0.366	S	S	*	.			trans	91.5	135	176.1	0	0	0	0	0	114.8	H136	G132-H136 PolarHBondContact O-ND1 3.41Å; G132-H136 VanDerWaalsContact O-ND1 3.08Å
133	F	61.6	Low	77.5	Confident	184 Å²	184	70.6 Å²	70.6	81%	0.807	36%	0.364	S	S	*	.	S	Bend	trans	-75.5	-33.3	169.6	-170.6	-103.8	0	0	0	110.9	H136	F133-H136 PolarHBondContact O-CE1 3.41Å; F133-H136 PolarHBondContact O-ND1 3.35Å; F133-H136 PolarHBondContact O-NE2 3.47Å
134	L	55	Low	77.5	Confident	143 Å²	143	71.4 Å²	71.4	75%	0.749	37%	0.368	S	S	*	.	S	Bend	trans	-160.3	129.4	170.8	-80.8	173.9	0	0	0	110.1
135	P	57	Low	77.5	Confident	111 Å²	111	68.5 Å²	68.5	72%	0.721	36%	0.355	S	S	*	.	S	Bend	cis	-69.2	146	-12.9	30.1	-32.5	0	0	0	111	S137	P135-S137 PolarHBondContact O-N 3.43Å
136	H	63.2	Low	77.6	Confident	128 Å²	128	68.6 Å²	68.6	59%	0.593	36%	0.355	S	S	*	.			trans	-68.3	115.6	170.9	-64.1	-56.8	0	0	0	108.5	G132 F133	G132-H136 PolarHBondContact O-ND1 3.41Å; G132-H136 VanDerWaalsContact O-ND1 3.08Å; F133-H136 PolarHBondContact O-CE1 3.41Å; F133-H136 PolarHBondContact O-ND1 3.35Å; F133-H136 PolarHBondContact O-NE2 3.47Å
137	S	64.8	Low	77.8	Confident	52 Å²	52	68.4 Å²	68.4	36%	0.364	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.3	171	66	0	0	0	0	109.8	S131 P135	S131-S137 PolarHBondContact N-O 3.31Å; S131-S137 VanDerWaalsContact N-O 3.15Å; S131-S137 PolarHBondContact O-N 3.27Å; S131-S137 PolarHBondContact O-OG 3.04Å; S131-S137 PolarHBondContact OG-O 3.3Å; S131-S137 PolarHBondContact OG-OG 3.2Å; P135-S137 PolarHBondContact O-N 3.43Å
138	H	70.4	Confident	78.3	Confident	104 Å²	104	63.6 Å²	63.6	48%	0.481	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.2	178.9	-69.6	-135.9	0	0	0	107.3
139	K	80.9	Confident	78.7	Confident	127 Å²	127	63.1 Å²	63.1	55%	0.552	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	110.9	172.6	-71.2	-176.3	-171.3	174.8	0	108.6	E129	E129-K139 HydrophobicContact CB-CB 4.25Å; E129-K139 PolarHBondContact N-O 3.19Å; E129-K139 PolarHBondContact O-N 3.43Å
140	V	85.8	Confident	79.3	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.055	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.9	177.7	-174.6	0	0	0	0	109	R103 I106 E107 L172	R103-V140 HydrophobicContact CG-CB 4.14Å; R103-V140 HydrophobicContact CG-CG1 4.04Å; R103-V140 HydrophobicContact CG-CG2 4.02Å; I106-V140 HydrophobicContact CB-CG1 3.65Å; I106-V140 HydrophobicContact CD1-CG1 3.89Å; I106-V140 HydrophobicContact CG1-CG1 4.39Å; I106-V140 HydrophobicContact CG2-CG1 3.55Å; E107-V140 HydrophobicContact CG-CG2 3.9Å; V140-L172 HydrophobicContact CG1-CD1 4.36Å; V140-L172 PolarHBondContact O-N 2.83Å
141	G	88.3	Confident	80.1	Confident	4 Å²	4	53 Å²	53	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.5	179	0	0	0	0	0	113	G126 Y127 F170	G126-G141 CarbonylContact C-O 3.54Å; G126-G141 WeakPolarHBondContact CA-O 3.46Å; Y127-G141 PolarHBondContact N-O 3.4Å; Y127-G141 PolarHBondContact O-N 3.07Å; G141-F170 CarbonylContact C-O 3.5Å; G141-F170 WeakPolarHBondContact CA-O 3.47Å
142	L	90.1	Very high	81.4	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137	179.6	-179.3	68.2	0	0	0	111.3	L102 I106 V125 T144 F170 L172	L102-L142 HydrophobicContact CD1-CD2 4.28Å; L102-L142 HydrophobicContact CD2-CD1 4.48Å; I106-L142 HydrophobicContact CD1-CB 4.38Å; I106-L142 HydrophobicContact CD1-CD1 4.19Å; V125-L142 HydrophobicContact CG1-CD1 4.01Å; L142-T144 HydrophobicContact CD2-CG2 4.32Å; L142-T144 HydrophobicContact CG-CG2 4.37Å; L142-T144 PolarHBondContact O-N 3.27Å; L142-F170 PolarHBondContact N-O 3.08Å; L142-F170 PolarHBondContact O-N 3.22Å; L142-L172 HydrophobicContact CB-CD1 4.3Å; L142-L172 HydrophobicContact CB-CD2 4.45Å; L142-L172 HydrophobicContact CB-CG 4.38Å
143	W	91.8	Very high	83.1	Confident	38 Å²	38	53.1 Å²	53.1	14%	0.144	27%	0.266	C	S	.	.			trans	-79	110.8	170	-64.7	122.6	0	0	0	110.9	F124 V125 G126 Y127 V164 V167 P169	F124-W143 VanDerWaalsContact O-CD1 3.31Å; V125-W143 PolarHBondContact O-N 2.85Å; G126-W143 VanDerWaalsContact C-CD1 3.5Å; G126-W143 PolarHBondContact O-NE1 3.44Å; Y127-W143 HydrophobicContact CD2-CZ2 4.13Å; Y127-W143 HydrophobicContact CG-CH2 4.46Å; Y127-W143 AromaticContact CG-CZ2 3.97Å; Y127-W143 HydrophobicContact CG-CZ2 3.97Å; W143-V164 HydrophobicContact CB-CG1 4.22Å; W143-V164 HydrophobicContact CD2-CB 4.01Å; W143-V164 HydrophobicContact CD2-CG1 4.1Å; W143-V164 HydrophobicContact CD2-CG2 4.05Å; W143-V164 HydrophobicContact CE3-CB 4.05Å; W143-V164 HydrophobicContact CE3-CG1 4.45Å; W143-V164 HydrophobicContact CE3-CG2 4.35Å; W143-V164 HydrophobicContact CG-CB 4.44Å; W143-V164 HydrophobicContact CG-CG1 3.99Å; W143-V164 HydrophobicContact CH2-CG2 4.27Å; W143-V164 HydrophobicContact CZ2-CG2 3.93Å; W143-V164 HydrophobicContact CZ3-CB 4.4Å; W143-V164 HydrophobicContact CZ3-CG2 4.47Å; W143-V167 WeakPolarHBondContact CZ3-O 3.37Å; W143-P169 HydrophobicContact CD2-CB 4.42Å; W143-P169 HydrophobicContact CE3-CB 3.88Å; W143-P169 HydrophobicContact CH2-CB 4.01Å; W143-P169 HydrophobicContact CH2-CG 4.04Å; W143-P169 HydrophobicContact CZ3-CB 3.64Å; W143-P169 HydrophobicContact CZ3-CG 3.99Å
144	T	90.5	Very high	84.4	Confident	23 Å²	23	46.2 Å²	46.2	14%	0.141	25%	0.247	C	C	.	.			trans	-99.8	-11.7	-177.5	57.5	0	0	0	0	113.3	L142 F170 V192 H194 T195	L142-T144 HydrophobicContact CD2-CG2 4.32Å; L142-T144 HydrophobicContact CG-CG2 4.37Å; L142-T144 PolarHBondContact O-N 3.27Å; T144-F170 HydrophobicContact CG2-CB 3.6Å; T144-F170 HydrophobicContact CG2-CG 4.31Å; T144-V192 HydrophobicContact CG2-CG1 3.31Å; T144-H194 CarbonylContact O-C 3.55Å; T144-H194 VanDerWaalsContact O-CA 3.29Å; T144-H194 WeakPolarHBondContact O-CA 3.49Å; T144-T195 PolarHBondContact O-N 3.29Å
145	H	93.4	Very high	86.1	Confident	15 Å²	15	43.5 Å²	43.5	7%	0.069	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.7	176.2	-174	79	0	0	0	110.9	V167 T195 Y196 S197	H145-V167 HydrophobicContact CB-CB 4.4Å; H145-V167 HydrophobicContact CB-CG1 3.77Å; H145-V167 HydrophobicContact CB-CG2 3.72Å; H145-T195 VanDerWaalsContact CA-O 3.31Å; H145-T195 WeakPolarHBondContact CA-O 3.25Å; H145-T195 WeakPolarHBondContact ND1-CB 3.13Å; H145-T195 PolarHBondContact ND1-O 2.97Å; H145-T195 PolarHBondContact ND1-OG1 3.27Å; H145-Y196 VanDerWaalsContact CE1-C 3.43Å; H145-S197 PolarHBondContact CE1-OG 3.3Å; H145-S197 PolarHBondContact NE2-OG 3.12Å
146	L	94	Very high	87.6	Confident	11 Å²	11	38.9 Å²	38.9	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.4	174.5	-60.6	-174.6	0	0	0	110.1	Y76 F112 F114 F148 V162 V164 T195 Y196 S197	Y76-L146 WeakPolarHBondContact OH-CD1 3.33Å; F112-L146 HydrophobicContact CE1-CD2 4.47Å; F112-L146 HydrophobicContact CZ-CD1 4.01Å; F112-L146 HydrophobicContact CZ-CD2 4.18Å; F114-L146 HydrophobicContact CE2-CD1 4.15Å; L146-F148 HydrophobicContact CB-CE2 4.11Å; L146-F148 HydrophobicContact CB-CZ 4.28Å; L146-F148 HydrophobicContact CD1-CZ 4.2Å; L146-V162 HydrophobicContact CB-CG2 3.8Å; L146-V162 HydrophobicContact CD1-CG2 4.37Å; L146-V162 HydrophobicContact CD2-CG2 4.06Å; L146-V162 HydrophobicContact CG-CG2 4.29Å; L146-V164 HydrophobicContact CD2-CG1 3.89Å; L146-T195 PolarHBondContact N-O 2.94Å; L146-Y196 CarbonylContact O-C 3.47Å; L146-Y196 WeakPolarHBondContact O-CA 3.44Å; L146-Y196 WeakPolarHBondContact O-CB 3.38Å; L146-S197 PolarHBondContact O-N 3.21Å
147	D	94.6	Very high	88.9	Confident	7 Å²	7	32.8 Å²	32.8	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	107.3	177.4	-169.9	5.4	0	0	0	109.8	V162 S163 S197 R199	D147-V162 CarbonylContact O-C 3.6Å; D147-V162 WeakPolarHBondContact O-CA 3.46Å; D147-S163 WeakPolarHBondContact CA-O 3.43Å; D147-S163 WeakPolarHBondContact CB-O 3.45Å; D147-S163 PolarHBondContact N-O 2.98Å; D147-S163 PolarHBondContact O-N 3.03Å; D147-S163 PolarHBondContact O-OG 3Å; D147-S197 WeakPolarHBondContact OD1-CB 3.46Å; D147-R199 IonicContact OD2-CZ 2.9Å; D147-R199 IonicContact OD2-NE 3.87Å; D147-R199 IonicContact OD2-NH1 3.31Å; D147-R199 PolarHBondContact OD2-NH1 3Å; D147-R199 IonicContact OD2-NH2 3.17Å; D147-R199 PolarHBondContact OD2-NH2 2.95Å
148	F	95.3	Very high	90	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.5	-179	-64.4	-80.7	0	0	0	110.4	L27 Y76 F114 L146 N161 V162 S197 V198 R199	L27-F148 HydrophobicContact CD2-CE1 3.92Å; L27-F148 HydrophobicContact CD2-CZ 3.83Å; Y76-F148 AromaticContact CD1-CE2 3.55Å; Y76-F148 HydrophobicContact CD1-CE2 3.55Å; Y76-F148 HydrophobicContact CD1-CZ 4Å; Y76-F148 HydrophobicContact CD2-CZ 4.42Å; Y76-F148 AromaticContact CE1-CE2 3.68Å; Y76-F148 HydrophobicContact CE1-CE2 3.68Å; Y76-F148 AromaticContact CE1-CZ 3.98Å; Y76-F148 HydrophobicContact CE1-CZ 3.98Å; Y76-F148 HydrophobicContact CE2-CZ 4.41Å; Y76-F148 HydrophobicContact CG-CE2 4.12Å; Y76-F148 HydrophobicContact CG-CZ 4.22Å; F114-F148 HydrophobicContact CD2-CE1 4.25Å; F114-F148 HydrophobicContact CD2-CZ 4.41Å; F114-F148 HydrophobicContact CE2-CZ 4.42Å; L146-F148 HydrophobicContact CB-CE2 4.11Å; L146-F148 HydrophobicContact CB-CZ 4.28Å; L146-F148 HydrophobicContact CD1-CZ 4.2Å; F148-N161 WeakPolarHBondContact CA-O 3.24Å; F148-V162 HydrophobicContact CD1-CB 4.26Å; F148-V162 HydrophobicContact CD1-CG2 4.27Å; F148-V162 HydrophobicContact CE1-CB 4.34Å; F148-V162 HydrophobicContact CE1-CG2 4.19Å; F148-S197 WeakPolarHBondContact CD2-O 3.43Å; F148-S197 PolarHBondContact N-O 2.79Å; F148-V198 WeakPolarHBondContact O-CA 3.35Å; F148-R199 PolarHBondContact O-N 3.39Å
149	N	94.5	Very high	91	Very high	25 Å²	25	25.5 Å²	25.5	13%	0.134	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.9	173.3	-49.7	-72.2	0	0	0	109.1	A160 N161 S163 R199 Y201	N149-A160 WeakPolarHBondContact O-CA 3.27Å; N149-N161 VanDerWaalsContact CB-OD1 3.25Å; N149-N161 WeakPolarHBondContact CB-OD1 3.4Å; N149-N161 PolarHBondContact N-O 2.81Å; N149-N161 PolarHBondContact ND2-OD1 2.92Å; N149-N161 PolarHBondContact O-N 3.49Å; N149-S163 PolarHBondContact ND2-OG 3.33Å; N149-S163 VanDerWaalsContact ND2-OG 3.13Å; N149-R199 WeakPolarHBondContact CA-O 3.35Å; N149-Y201 HydrophobicContact CB-CD2 4.19Å; N149-Y201 HydrophobicContact CB-CE2 3.7Å
150	I	94.8	Very high	91.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124	-174.2	-51.6	168.8	0	0	0	109	I78 L116 V157 F159 A160 V198 R199 W200 Y201	I78-I150 HydrophobicContact CD1-CD1 4.44Å; I78-I150 HydrophobicContact CG2-CD1 3.77Å; L116-I150 HydrophobicContact CD2-CD1 3.75Å; L116-I150 HydrophobicContact CD2-CG1 4.11Å; L116-I150 HydrophobicContact CD2-CG2 4.28Å; I150-V157 HydrophobicContact CG2-CG1 3.66Å; I150-F159 CarbonylContact C-O 3.54Å; I150-F159 WeakPolarHBondContact CA-O 3.16Å; I150-A160 HydrophobicContact CG1-CB 4.3Å; I150-A160 HydrophobicContact CG2-CB 4.43Å; I150-V198 HydrophobicContact CD1-CG1 3.91Å; I150-R199 PolarHBondContact N-O 3.42Å; I150-W200 HydrophobicContact CB-CD2 4.17Å; I150-W200 HydrophobicContact CB-CE3 3.85Å; I150-W200 HydrophobicContact CB-CH2 4.23Å; I150-W200 HydrophobicContact CB-CZ3 3.9Å; I150-W200 HydrophobicContact CD1-CH2 3.96Å; I150-W200 HydrophobicContact CD1-CZ2 3.74Å; I150-W200 HydrophobicContact CD1-CZ3 4.49Å; I150-W200 HydrophobicContact CG2-CD2 4.43Å; I150-W200 HydrophobicContact CG2-CE3 3.68Å; I150-W200 HydrophobicContact CG2-CH2 3.66Å; I150-W200 HydrophobicContact CG2-CZ2 4.41Å; I150-W200 HydrophobicContact CG2-CZ3 3.25Å; I150-W200 CarbonylContact O-C 3.58Å; I150-W200 WeakPolarHBondContact O-CA 3.21Å; I150-Y201 PolarHBondContact O-N 3.32Å
151	E	93.8	Very high	91.8	Very high	35 Å²	35	20.7 Å²	20.7	16%	0.164	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.2	173.8	-62.5	179.5	-164.3	0	0	110.2	I158 F159 Y201 R213	E151-I158 PolarHBondContact O-N 3.39Å; E151-F159 HydrophobicContact CB-CB 4.03Å; E151-F159 HydrophobicContact CG-CB 4.3Å; E151-F159 HydrophobicContact CG-CD1 4.25Å; E151-F159 PolarHBondContact N-O 3.22Å; E151-F159 PolarHBondContact O-N 3.48Å; E151-Y201 CarbonylContact C-O 3.52Å; E151-Y201 VanDerWaalsContact CA-O 3.25Å; E151-Y201 WeakPolarHBondContact CA-O 3.48Å; E151-R213 IonicContact OE1-CZ 2.71Å; E151-R213 IonicContact OE1-NE 3.92Å; E151-R213 IonicContact OE1-NH2 3.5Å; E151-R213 PolarHBondContact OE1-NH2 3.1Å; E151-R213 IonicContact OE2-NE 2.67Å; E151-R213 PolarHBondContact OE2-NE 3.32Å; E151-R213 IonicContact OE2-NH2 3.15Å
152	Y	93.2	Very high	92	Very high	38 Å²	38	21.3 Å²	21.3	15%	0.149	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.5	178.3	73.7	-80.4	0	0	0	111.7	F80 Q81 S156 W200 Y201 E202 S203	F80-Y152 HydrophobicContact CE2-CG 4.44Å; F80-Y152 HydrophobicContact CZ-CD2 4.04Å; F80-Y152 HydrophobicContact CZ-CG 4.28Å; Q81-Y152 HydrophobicContact CG-CD2 4.11Å; Q81-Y152 HydrophobicContact CG-CE1 4.22Å; Q81-Y152 HydrophobicContact CG-CE2 3.81Å; Q81-Y152 HydrophobicContact CG-CG 4.46Å; Y152-S156 WeakPolarHBondContact CA-O 3.47Å; Y152-W200 HydrophobicContact CD1-CB 4.19Å; Y152-W200 AromaticContact CD1-CE3 3.79Å; Y152-W200 HydrophobicContact CD1-CE3 3.79Å; Y152-W200 HydrophobicContact CE1-CB 4.03Å; Y152-W200 HydrophobicContact CG-CE3 4.21Å; Y152-Y201 WeakPolarHBondContact CD1-O 3.31Å; Y152-Y201 PolarHBondContact N-O 3.32Å; Y152-E202 HydrophobicContact CE1-CB 4.24Å; Y152-S203 PolarHBondContact O-N 2.81Å
153	N	92.1	Very high	91.9	Very high	53 Å²	53	22 Å²	22	28%	0.283	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	119.9	169.9	-176.2	-57.5	0	0	0	108.4	D155 S156 I158 S203 L205	N153-D155 PolarHBondContact O-N 3.24Å; N153-S156 PolarHBondContact N-O 2.96Å; N153-S156 PolarHBondContact O-N 3.38Å; N153-S156 VanDerWaalsContact O-N 3.15Å; N153-I158 HydrophobicContact CB-CD1 3.99Å; N153-I158 HydrophobicContact CB-CG1 3.75Å; N153-S203 PolarHBondContact ND2-O 2.91Å; N153-L205 VanDerWaalsContact CB-O 3.3Å; N153-L205 WeakPolarHBondContact CB-O 3.44Å; N153-L205 PolarHBondContact ND2-O 3.28Å
154	G	88.9	Confident	91.6	Very high	40 Å²	40	22.2 Å²	22.2	41%	0.412	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-120.8	-171.4	0	0	0	0	0	111.2	F80	F80-G154 WeakPolarHBondContact CZ-O 3.32Å
155	D	90.2	Very high	90.6	Very high	85 Å²	85	28.9 Å²	28.9	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11	-176.8	-62.9	-19.1	0	0	0	113	S18 Y19 N153	S18-D155 CarbonylContact C-O 3.53Å; S18-D155 WeakPolarHBondContact CA-O 3.26Å; S18-D155 WeakPolarHBondContact OG-CB 3.45Å; Y19-D155 PolarHBondContact N-O 3.15Å; Y19-D155 WeakPolarHBondContact O-CA 3.37Å; Y19-D155 VanDerWaalsContact O-CB 3.25Å; Y19-D155 WeakPolarHBondContact O-CB 3.24Å; N153-D155 PolarHBondContact O-N 3.24Å
156	S	89.1	Confident	89.4	Confident	14 Å²	14	36.3 Å²	36.3	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.9	-175.8	-65.7	0	0	0	0	112.7	A17 Y152 N153	A17-S156 PolarHBondContact O-OG 2.86Å; Y152-S156 WeakPolarHBondContact CA-O 3.47Å; N153-S156 PolarHBondContact N-O 2.96Å; N153-S156 PolarHBondContact O-N 3.38Å; N153-S156 VanDerWaalsContact O-N 3.15Å
157	V	90	Very high	88.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129	172.1	-174.7	0	0	0	0	109.2	Y19 V25 F80 D117 I119 I150 W200 R210	Y19-V157 HydrophobicContact CD2-CG2 4.18Å; Y19-V157 HydrophobicContact CE2-CG2 4.04Å; V25-V157 HydrophobicContact CG1-CG2 4.45Å; F80-V157 HydrophobicContact CD2-CG2 4.37Å; F80-V157 HydrophobicContact CE2-CG2 4.12Å; D117-V157 HydrophobicContact CB-CB 4.33Å; I119-V157 HydrophobicContact CD1-CB 4.44Å; I119-V157 HydrophobicContact CD1-CG1 3.72Å; I150-V157 HydrophobicContact CG2-CG1 3.66Å; V157-W200 HydrophobicContact CG2-CH2 4.27Å; V157-W200 HydrophobicContact CG2-CZ3 4.21Å; V157-R210 VanDerWaalsContact O-CD 3.31Å; V157-R210 WeakPolarHBondContact O-CD 3.42Å; V157-R210 PolarHBondContact O-NH1 2.77Å
158	I	89.2	Confident	88	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-45.4	-177.4	-57.5	-58.3	0	0	0	110.6	E151 N153 L205 R210	E151-I158 PolarHBondContact O-N 3.39Å; N153-I158 HydrophobicContact CB-CD1 3.99Å; N153-I158 HydrophobicContact CB-CG1 3.75Å; I158-L205 HydrophobicContact CG2-CB 4.24Å; I158-R210 HydrophobicContact CG2-CG 4.4Å; I158-R210 WeakPolarHBondContact O-CD 3.45Å; I158-R210 WeakPolarHBondContact O-CG 3.17Å
159	F	90.5	Very high	87.5	Confident	3 Å²	3	48 Å²	48	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.2	-175	178	-104.7	0	0	0	110.2	I150 E151 N161 R213 L214 Y217	I150-F159 CarbonylContact C-O 3.54Å; I150-F159 WeakPolarHBondContact CA-O 3.16Å; E151-F159 HydrophobicContact CB-CB 4.03Å; E151-F159 HydrophobicContact CG-CB 4.3Å; E151-F159 HydrophobicContact CG-CD1 4.25Å; E151-F159 PolarHBondContact N-O 3.22Å; E151-F159 PolarHBondContact O-N 3.48Å; F159-N161 HydrophobicContact CE1-CB 3.85Å; F159-N161 HydrophobicContact CZ-CB 3.94Å; F159-R213 HydrophobicContact CB-CG 3.96Å; F159-R213 HydrophobicContact CD2-CG 4.31Å; F159-R213 HydrophobicContact CG-CG 4.15Å; F159-L214 HydrophobicContact CD2-CD2 3.88Å; F159-L214 HydrophobicContact CE2-CD2 4.28Å; F159-Y217 HydrophobicContact CE1-CD2 4.28Å; F159-Y217 HydrophobicContact CE1-CE2 4.48Å; F159-Y217 AromaticContact CE2-CD1 3.57Å; F159-Y217 HydrophobicContact CE2-CD1 3.57Å; F159-Y217 HydrophobicContact CE2-CD2 4.09Å; F159-Y217 HydrophobicContact CE2-CE1 4.18Å; F159-Y217 AromaticContact CE2-CG 3.51Å; F159-Y217 HydrophobicContact CE2-CG 3.51Å; F159-Y217 AromaticContact CZ-CD1 3.57Å; F159-Y217 HydrophobicContact CZ-CD1 3.57Å; F159-Y217 AromaticContact CZ-CD2 3.43Å; F159-Y217 HydrophobicContact CZ-CD2 3.43Å; F159-Y217 VanDerWaalsContact CZ-CD2 3.43Å; F159-Y217 AromaticContact CZ-CE1 3.84Å; F159-Y217 HydrophobicContact CZ-CE1 3.84Å; F159-Y217 AromaticContact CZ-CE2 3.73Å; F159-Y217 HydrophobicContact CZ-CE2 3.73Å; F159-Y217 AromaticContact CZ-CG 3.34Å; F159-Y217 HydrophobicContact CZ-CG 3.34Å; F159-Y217 AromaticContact CZ-CZ 3.92Å
160	A	91.4	Very high	87	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.9	174.5	0	0	0	0	0	109.3	L116 I119 I121 N149 I150	L116-A160 HydrophobicContact CD2-CB 3.94Å; I119-A160 HydrophobicContact CG2-CB 4.32Å; I121-A160 HydrophobicContact CD1-CB 3.61Å; I121-A160 HydrophobicContact CG1-CB 3.93Å; N149-A160 WeakPolarHBondContact O-CA 3.27Å; I150-A160 HydrophobicContact CG1-CB 4.3Å; I150-A160 HydrophobicContact CG2-CB 4.43Å
161	N	92.2	Very high	86.5	Confident	35 Å²	35	53.8 Å²	53.8	19%	0.187	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	166	168.4	74	26.1	0	0	0	110.7	F148 N149 F159 Y217	F148-N161 WeakPolarHBondContact CA-O 3.24Å; N149-N161 VanDerWaalsContact CB-OD1 3.25Å; N149-N161 WeakPolarHBondContact CB-OD1 3.4Å; N149-N161 PolarHBondContact N-O 2.81Å; N149-N161 PolarHBondContact ND2-OD1 2.92Å; N149-N161 PolarHBondContact O-N 3.49Å; F159-N161 HydrophobicContact CE1-CB 3.85Å; F159-N161 HydrophobicContact CZ-CB 3.94Å; N161-Y217 HydrophobicContact CB-CE2 4.42Å
162	V	92.1	Very high	85.9	Confident	16 Å²	16	52.5 Å²	52.5	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.3	169.1	66.8	0	0	0	0	108.7	F112 I121 W122 L146 D147 F148	F112-V162 HydrophobicContact CE2-CG1 4.12Å; F112-V162 HydrophobicContact CZ-CG1 4.03Å; I121-V162 HydrophobicContact CG2-CB 3.69Å; I121-V162 HydrophobicContact CG2-CG1 3.63Å; W122-V162 WeakPolarHBondContact O-CG1 3.44Å; L146-V162 HydrophobicContact CB-CG2 3.8Å; L146-V162 HydrophobicContact CD1-CG2 4.37Å; L146-V162 HydrophobicContact CD2-CG2 4.06Å; L146-V162 HydrophobicContact CG-CG2 4.29Å; D147-V162 CarbonylContact O-C 3.6Å; D147-V162 WeakPolarHBondContact O-CA 3.46Å; F148-V162 HydrophobicContact CD1-CB 4.26Å; F148-V162 HydrophobicContact CD1-CG2 4.27Å; F148-V162 HydrophobicContact CE1-CB 4.34Å; F148-V162 HydrophobicContact CE1-CG2 4.19Å
163	S	89.1	Confident	84.7	Confident	22 Å²	22	56.7 Å²	56.7	15%	0.154	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.8	175.5	67.8	0	0	0	0	109.8	D147 N149	D147-S163 WeakPolarHBondContact CA-O 3.43Å; D147-S163 WeakPolarHBondContact CB-O 3.45Å; D147-S163 PolarHBondContact N-O 2.98Å; D147-S163 PolarHBondContact O-N 3.03Å; D147-S163 PolarHBondContact O-OG 3Å; N149-S163 PolarHBondContact ND2-OG 3.33Å; N149-S163 VanDerWaalsContact ND2-OG 3.13Å
164	V	84.9	Confident	82.9	Confident	42 Å²	42	62.7 Å²	62.7	26%	0.255	33%	0.327	S	S	.	.			trans	-117.6	21.9	175	-65.6	0	0	0	0	110.6	W143 L146 V167	W143-V164 HydrophobicContact CB-CG1 4.22Å; W143-V164 HydrophobicContact CD2-CB 4.01Å; W143-V164 HydrophobicContact CD2-CG1 4.1Å; W143-V164 HydrophobicContact CD2-CG2 4.05Å; W143-V164 HydrophobicContact CE3-CB 4.05Å; W143-V164 HydrophobicContact CE3-CG1 4.45Å; W143-V164 HydrophobicContact CE3-CG2 4.35Å; W143-V164 HydrophobicContact CG-CB 4.44Å; W143-V164 HydrophobicContact CG-CG1 3.99Å; W143-V164 HydrophobicContact CH2-CG2 4.27Å; W143-V164 HydrophobicContact CZ2-CG2 3.93Å; W143-V164 HydrophobicContact CZ3-CB 4.4Å; W143-V164 HydrophobicContact CZ3-CG2 4.47Å; L146-V164 HydrophobicContact CD2-CG1 3.89Å; V164-V167 PolarHBondContact O-N 3.04Å
165	K	69.4	Low	81.1	Confident	162 Å²	162	63 Å²	63	70%	0.704	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	137.9	-178.7	-70	-176.4	177.8	-178.8	0	109.3	V167	K165-V167 VanDerWaalsContact C-N 3.26Å; K165-V167 PolarHBondContact O-N 3.13Å
166	D	68.8	Low	79	Confident	172 Å²	172	60.7 Å²	60.7	92%	0.92	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	14.6	177.5	-46.8	-48.4	0	0	0	116.2
167	V	77.3	Confident	76.8	Confident	33 Å²	33	61.5 Å²	61.5	20%	0.2	33%	0.334	C	S	.	.			trans	-104.9	133.2	172.5	-175.9	0	0	0	0	108.7	W143 H145 V164 K165	W143-V167 WeakPolarHBondContact CZ3-O 3.37Å; H145-V167 HydrophobicContact CB-CB 4.4Å; H145-V167 HydrophobicContact CB-CG1 3.77Å; H145-V167 HydrophobicContact CB-CG2 3.72Å; V164-V167 PolarHBondContact O-N 3.04Å; K165-V167 VanDerWaalsContact C-N 3.26Å; K165-V167 PolarHBondContact O-N 3.13Å
168	K	81.6	Confident	74.4	Confident	190 Å²	190	67.1 Å²	67.1	83%	0.826	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-81.9	128.9	167.6	-71.2	-174.1	178.4	-176.5	0	109
169	P	83.8	Confident	71.9	Confident	42 Å²	42	70.5 Å²	70.5	27%	0.273	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-63.5	144.9	176.8	27.3	-32.1	0	0	0	109.7	Y127 W143 P171	Y127-P169 HydrophobicContact CD1-CG 4.05Å; W143-P169 HydrophobicContact CD2-CB 4.42Å; W143-P169 HydrophobicContact CE3-CB 3.88Å; W143-P169 HydrophobicContact CH2-CB 4.01Å; W143-P169 HydrophobicContact CH2-CG 4.04Å; W143-P169 HydrophobicContact CZ3-CB 3.64Å; W143-P169 HydrophobicContact CZ3-CG 3.99Å; P169-P171 WeakPolarHBondContact O-CD 3.37Å
170	F	84	Confident	69.5	Low	69 Å²	69	77 Å²	77	30%	0.303	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.2	178.3	-173.3	-81.8	0	0	0	108.9	G141 L142 T144 L172 L190 V192	G141-F170 CarbonylContact C-O 3.5Å; G141-F170 WeakPolarHBondContact CA-O 3.47Å; L142-F170 PolarHBondContact N-O 3.08Å; L142-F170 PolarHBondContact O-N 3.22Å; T144-F170 HydrophobicContact CG2-CB 3.6Å; T144-F170 HydrophobicContact CG2-CG 4.31Å; F170-L172 HydrophobicContact CD1-CD2 4.37Å; F170-L172 PolarHBondContact O-N 2.96Å; F170-L190 HydrophobicContact CE1-CD1 3.9Å; F170-L190 HydrophobicContact CE1-CD2 3.89Å; F170-L190 HydrophobicContact CE1-CG 4.2Å; F170-L190 HydrophobicContact CZ-CD1 4Å; F170-V192 HydrophobicContact CD1-CG2 4.18Å; F170-V192 HydrophobicContact CE1-CG2 4.02Å; F170-V192 HydrophobicContact CZ-CG2 4.24Å
171	P	84.8	Confident	66.9	Low	77 Å²	77	80.9 Å²	80.9	50%	0.5	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.6	-174.5	27.5	-33.8	0	0	0	111.4	P169	P169-P171 WeakPolarHBondContact O-CD 3.37Å
172	L	80.9	Confident	64	Low	8 Å²	8	82.4 Å²	82.4	4%	0.042	51%	0.505	C	S	.	.			trans	-104.6	77.9	172.6	-60.5	179.7	0	0	0	108.6	V99 L102 I106 V140 L142 F170 L190	V99-L172 HydrophobicContact CG1-CD2 4.29Å; L102-L172 HydrophobicContact CB-CD1 4.17Å; I106-L172 HydrophobicContact CD1-CD1 3.79Å; V140-L172 HydrophobicContact CG1-CD1 4.36Å; V140-L172 PolarHBondContact O-N 2.83Å; L142-L172 HydrophobicContact CB-CD1 4.3Å; L142-L172 HydrophobicContact CB-CD2 4.45Å; L142-L172 HydrophobicContact CB-CG 4.38Å; F170-L172 HydrophobicContact CD1-CD2 4.37Å; F170-L172 PolarHBondContact O-N 2.96Å; L172-L190 HydrophobicContact CD2-CD2 3.92Å
173	E	69.1	Low	61.1	Low	126 Å²	126	89.1 Å²	89.1	59%	0.589	55%	0.546	S	S	*	.			trans	-63.6	148.6	-178.1	-64.6	-171	169.2	0	0	112.5	R103 G175	R103-E173 PolarHBondContact NH2-O 3.39Å; E173-G175 PolarHBondContact O-N 3.41Å
174	E	54.8	Low	58.3	Low	180 Å²	180	91.2 Å²	91.2	84%	0.841	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	125.8	169.5	-75.4	-177.9	157.4	0	0	109.5
175	G	50.9	Low	56	Low	46 Å²	46	96.5 Å²	96.5	47%	0.474	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	75.6	21.9	178.6	0	0	0	0	0	115.2	E173 G177 S178	E173-G175 PolarHBondContact O-N 3.41Å; G175-G177 PolarHBondContact O-N 3.34Å; G175-S178 PolarHBondContact O-N 3.23Å
176	A	45.4	Very low	54.5	Low	37 Å²	37	92.6 Å²	92.6	31%	0.306	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.8	-5.3	173.5	0	0	0	0	0	114.7	S178	A176-S178 PolarHBondContact O-N 3.14Å
177	G	42.3	Very low	53.2	Low	31 Å²	31	87.8 Å²	87.8	32%	0.32	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	-6.7	163.8	0	0	0	0	0	115.4	G175	G175-G177 PolarHBondContact O-N 3.34Å
178	S	39	Very low	52.3	Low	117 Å²	117	88 Å²	88	82%	0.818	61%	0.608	S	S	*	*	S	Bend	trans	-132.5	-1.2	-171.9	-72	0	0	0	0	116.6	G175 A176	G175-S178 PolarHBondContact O-N 3.23Å; A176-S178 PolarHBondContact O-N 3.14Å
179	A	37.7	Very low	51.8	Low	72 Å²	72	82.5 Å²	82.5	60%	0.595	59%	0.594	S	S	*	*			trans	-143.5	65.4	-175.6	0	0	0	0	0	114.2
180	V	40	Very low	51.8	Low	138 Å²	138	82.1 Å²	82.1	84%	0.836	59%	0.589	S	S	*	*			trans	-122.2	106.9	146	-178	0	0	0	0	106.9	G182	V180-G182 PolarHBondContact O-N 3.11Å
181	G	36.3	Very low	52	Low	84 Å²	84	82.5 Å²	82.5	87%	0.866	60%	0.597	S	S	*	*			trans	-61.9	129.8	-175.2	0	0	0	0	0	112.6
182	G	32.2	Very low	52.3	Low	67 Å²	67	79 Å²	79	69%	0.691	57%	0.574	S	S	*	*	S	Bend	trans	123.7	97.9	163.3	0	0	0	0	0	113.7	V180	V180-G182 PolarHBondContact O-N 3.11Å
183	V	31.8	Very low	52.8	Low	157 Å²	157	81.4 Å²	81.4	95%	0.952	59%	0.59	S	S	*	*			trans	85.9	112.4	171	-165.1	0	0	0	0	114.3
184	G	30.3	Very low	54	Low	66 Å²	66	76.2 Å²	76.2	68%	0.68	57%	0.565	S	S	*	*			trans	-89.7	-170.6	-166.9	0	0	0	0	0	116.9
185	V	35.5	Very low	55.9	Low	153 Å²	153	68.8 Å²	68.8	93%	0.927	53%	0.532	S	S	*	.			trans	92.1	94.6	172.3	-165.8	0	0	0	0	115.2
186	G	37.4	Very low	58	Low	79 Å²	79	66.8 Å²	66.8	81%	0.814	51%	0.51	S	S	*	.	S	Bend	trans	82.6	104.1	141.4	0	0	0	0	0	118.2
187	G	42.4	Very low	60.4	Low	72 Å²	72	65.1 Å²	65.1	74%	0.742	50%	0.497	S	S	*	.			trans	87.8	84.9	163.7	0	0	0	0	0	114	S189	G187-S189 PolarHBondContact O-N 3.33Å
188	G	58.3	Low	62.9	Low	36 Å²	36	63.7 Å²	63.7	37%	0.371	48%	0.481	S	S	.	.			trans	-59.8	108.4	179	0	0	0	0	0	111.9
189	S	71.8	Confident	65.6	Low	76 Å²	76	62.4 Å²	62.4	53%	0.531	46%	0.459	S	S	.	.			trans	-116.9	132.8	175.1	55.4	0	0	0	0	109.7	L94 G187	L94-S189 CarbonylContact O-C 3.55Å; L94-S189 VanDerWaalsContact O-CA 3.27Å; L94-S189 WeakPolarHBondContact O-CA 3.28Å; G187-S189 PolarHBondContact O-N 3.33Å
190	L	83.8	Confident	68.4	Low	33 Å²	33	60 Å²	60	17%	0.173	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.2	-176.5	-179.3	71.4	0	0	0	109.3	L94 V99 F170 L172 V192	L94-L190 HydrophobicContact CB-CB 4.44Å; L94-L190 PolarHBondContact N-O 2.77Å; L94-L190 PolarHBondContact O-N 3.26Å; V99-L190 HydrophobicContact CG2-CB 4.11Å; V99-L190 HydrophobicContact CG2-CD2 3.9Å; F170-L190 HydrophobicContact CE1-CD1 3.9Å; F170-L190 HydrophobicContact CE1-CD2 3.89Å; F170-L190 HydrophobicContact CE1-CG 4.2Å; F170-L190 HydrophobicContact CZ-CD1 4Å; L172-L190 HydrophobicContact CD2-CD2 3.92Å; L190-V192 HydrophobicContact CD2-CG2 4.13Å; L190-V192 HydrophobicContact CG-CG2 4.07Å
191	T	88.3	Confident	71	Confident	78 Å²	78	58.4 Å²	58.4	48%	0.479	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.6	178.1	-59.4	0	0	0	0	111.3	L92 T93	L92-T191 CarbonylContact O-C 3.46Å; L92-T191 VanDerWaalsContact O-CA 3.32Å; L92-T191 WeakPolarHBondContact O-CA 3.4Å; T93-T191 PolarHBondContact OG1-OG1 3.46Å
192	V	89.4	Confident	73.7	Confident	2 Å²	2	62 Å²	62	1%	0.012	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.8	-177.9	-177.3	0	0	0	0	109.5	L92 L94 T144 F170 L190	L92-V192 PolarHBondContact N-O 3Å; L92-V192 PolarHBondContact O-N 3.03Å; L94-V192 HydrophobicContact CD1-CG2 4.32Å; T144-V192 HydrophobicContact CG2-CG1 3.31Å; F170-V192 HydrophobicContact CD1-CG2 4.18Å; F170-V192 HydrophobicContact CE1-CG2 4.02Å; F170-V192 HydrophobicContact CZ-CG2 4.24Å; L190-V192 HydrophobicContact CD2-CG2 4.13Å; L190-V192 HydrophobicContact CG-CG2 4.07Å
193	T	92.6	Very high	76.5	Confident	59 Å²	59	59.4 Å²	59.4	36%	0.362	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.6	175.9	-57.1	0	0	0	0	109.7	T88 K91 T195	T88-T193 HydrophobicContact CG2-CG2 3.77Å; K91-T193 HydrophobicContact CG-CG2 4.08Å; T193-T195 HydrophobicContact CG2-CG2 4.35Å
194	H	93	Very high	79.2	Confident	18 Å²	18	57.5 Å²	57.5	8%	0.083	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.6	174.7	-73.8	-93.1	0	0	0	110.9	C50 L89 C90 T144	C50-H194 VanDerWaalsContact SG-CB 3.59Å; L89-H194 HydrophobicContact CB-CB 4.19Å; L89-H194 HydrophobicContact CD2-CB 4.32Å; L89-H194 PolarHBondContact N-O 3.12Å; C90-H194 PolarHBondContact O-N 2.82Å; T144-H194 CarbonylContact O-C 3.55Å; T144-H194 VanDerWaalsContact O-CA 3.29Å; T144-H194 WeakPolarHBondContact O-CA 3.49Å
195	T	94.8	Very high	81.7	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.141	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.5	180	53.9	0	0	0	0	110.4	K87 T144 H145 L146 T193	K87-T195 CarbonylContact O-C 3.42Å; K87-T195 WeakPolarHBondContact O-CA 3.37Å; K87-T195 WeakPolarHBondContact O-CB 3.43Å; T144-T195 PolarHBondContact O-N 3.29Å; H145-T195 VanDerWaalsContact CA-O 3.31Å; H145-T195 WeakPolarHBondContact CA-O 3.25Å; H145-T195 WeakPolarHBondContact ND1-CB 3.13Å; H145-T195 PolarHBondContact ND1-O 2.97Å; H145-T195 PolarHBondContact ND1-OG1 3.27Å; L146-T195 PolarHBondContact N-O 2.94Å; T193-T195 HydrophobicContact CG2-CG2 4.35Å
196	Y	95.3	Very high	84	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.3	174.8	67.4	-78.2	0	0	0	112.2	Y76 F77 R86 K87 L89 H145 L146 V198	Y76-Y196 AromaticContact CD1-CD1 3.84Å; Y76-Y196 HydrophobicContact CD1-CD1 3.84Å; Y76-Y196 AromaticContact CD1-CD2 3.96Å; Y76-Y196 HydrophobicContact CD1-CD2 3.96Å; Y76-Y196 HydrophobicContact CD1-CE1 4.29Å; Y76-Y196 HydrophobicContact CD1-CE2 4.41Å; Y76-Y196 AromaticContact CD1-CG 3.64Å; Y76-Y196 HydrophobicContact CD1-CG 3.64Å; Y76-Y196 HydrophobicContact CE1-CD1 4.16Å; Y76-Y196 HydrophobicContact CE1-CG 4Å; F77-Y196 PolarHBondContact N-OH 3.31Å; F77-Y196 PolarHBondContact O-OH 3.08Å; R86-Y196 CarbonylContact C-O 3.53Å; R86-Y196 WeakPolarHBondContact CA-O 3.22Å; R86-Y196 PolarHBondContact N-O 3.5Å; K87-Y196 HydrophobicContact CB-CD1 4.4Å; K87-Y196 HydrophobicContact CB-CE1 4.05Å; K87-Y196 HydrophobicContact CD-CE1 4.19Å; K87-Y196 HydrophobicContact CD-CE2 4.47Å; K87-Y196 WeakPolarHBondContact CD-OH 3.44Å; K87-Y196 WeakPolarHBondContact CE-OH 3.49Å; K87-Y196 HydrophobicContact CG-CE1 3.95Å; K87-Y196 PolarHBondContact N-O 3.46Å; K87-Y196 PolarHBondContact NZ-OH 3.27Å; K87-Y196 WeakPolarHBondContact O-CD1 3.4Å; K87-Y196 PolarHBondContact O-N 2.86Å; L89-Y196 HydrophobicContact CB-CD1 4Å; L89-Y196 HydrophobicContact CB-CE1 4.29Å; L89-Y196 HydrophobicContact CD1-CD1 4.03Å; L89-Y196 HydrophobicContact CD1-CE1 3.87Å; H145-Y196 VanDerWaalsContact CE1-C 3.43Å; L146-Y196 CarbonylContact O-C 3.47Å; L146-Y196 WeakPolarHBondContact O-CA 3.44Å; L146-Y196 WeakPolarHBondContact O-CB 3.38Å; Y196-V198 HydrophobicContact CD2-CG2 3.88Å; Y196-V198 HydrophobicContact CE2-CG2 4Å
197	S	95.7	Very high	85.9	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.7	170.1	-53.4	0	0	0	0	109.6	V84 R86 H145 L146 D147 F148	V84-S197 CarbonylContact O-C 3.59Å; V84-S197 WeakPolarHBondContact O-CA 3.34Å; V84-S197 WeakPolarHBondContact O-CB 3.36Å; R86-S197 PolarHBondContact N-OG 3.33Å; H145-S197 PolarHBondContact CE1-OG 3.3Å; H145-S197 PolarHBondContact NE2-OG 3.12Å; L146-S197 PolarHBondContact O-N 3.21Å; D147-S197 WeakPolarHBondContact OD1-CB 3.46Å; F148-S197 WeakPolarHBondContact CD2-O 3.43Å; F148-S197 PolarHBondContact N-O 2.79Å
198	V	96.3	Very high	87.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.6	177.9	-177.1	0	0	0	0	107.7	I78 N83 V84 F148 I150 Y196	I78-V198 HydrophobicContact CG1-CG2 4.1Å; I78-V198 HydrophobicContact CG2-CG1 4.11Å; N83-V198 CarbonylContact C-O 3.53Å; N83-V198 VanDerWaalsContact CA-O 3.26Å; N83-V198 WeakPolarHBondContact CA-O 3.46Å; V84-V198 HydrophobicContact CB-CB 4.27Å; V84-V198 HydrophobicContact CB-CG2 4.43Å; V84-V198 PolarHBondContact N-O 3.08Å; V84-V198 PolarHBondContact O-N 2.91Å; F148-V198 WeakPolarHBondContact O-CA 3.35Å; I150-V198 HydrophobicContact CD1-CG1 3.91Å; Y196-V198 HydrophobicContact CD2-CG2 3.88Å; Y196-V198 HydrophobicContact CE2-CG2 4Å
199	R	95.7	Very high	88.4	Confident	90 Å²	90	56.9 Å²	56.9	34%	0.34	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.6	177.9	-64.8	-174.4	-178.6	138.6	6.2	110.7	D147 F148 N149 I150 Y201	D147-R199 IonicContact OD2-CZ 2.9Å; D147-R199 IonicContact OD2-NE 3.87Å; D147-R199 IonicContact OD2-NH1 3.31Å; D147-R199 PolarHBondContact OD2-NH1 3Å; D147-R199 IonicContact OD2-NH2 3.17Å; D147-R199 PolarHBondContact OD2-NH2 2.95Å; F148-R199 PolarHBondContact O-N 3.39Å; N149-R199 WeakPolarHBondContact CA-O 3.35Å; I150-R199 PolarHBondContact N-O 3.42Å; R199-Y201 HydrophobicContact CB-CE2 3.59Å; R199-Y201 VanDerWaalsContact CD-OH 3.26Å; R199-Y201 WeakPolarHBondContact CD-OH 3.42Å
200	W	95.7	Very high	88.7	Confident	21 Å²	21	55.1 Å²	55.1	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.6	177.4	-68.3	90.5	0	0	0	111.2	V25 I78 R79 F80 E82 N83 I150 Y152 V157	V25-W200 HydrophobicContact CG2-CH2 4.15Å; V25-W200 HydrophobicContact CG2-CZ2 4.44Å; I78-W200 HydrophobicContact CG2-CZ2 3.78Å; R79-W200 WeakPolarHBondContact O-CZ2 3.22Å; R79-W200 PolarHBondContact O-NE1 3.28Å; F80-W200 HydrophobicContact CD2-CE3 4.38Å; F80-W200 AromaticContact CD2-CH2 3.49Å; F80-W200 HydrophobicContact CD2-CH2 3.49Å; F80-W200 VanDerWaalsContact CD2-CH2 3.49Å; F80-W200 HydrophobicContact CD2-CZ2 4.26Å; F80-W200 AromaticContact CD2-CZ3 3.54Å; F80-W200 HydrophobicContact CD2-CZ3 3.54Å; F80-W200 HydrophobicContact CE2-CE3 4.43Å; F80-W200 HydrophobicContact CE2-CH2 4.1Å; F80-W200 AromaticContact CE2-CZ3 3.68Å; F80-W200 HydrophobicContact CE2-CZ3 3.68Å; F80-W200 HydrophobicContact CG-CH2 4.41Å; E82-W200 VanDerWaalsContact O-CD1 3.31Å; E82-W200 PolarHBondContact O-NE1 3.43Å; N83-W200 PolarHBondContact OD1-N 3.3Å; I150-W200 HydrophobicContact CB-CD2 4.17Å; I150-W200 HydrophobicContact CB-CE3 3.85Å; I150-W200 HydrophobicContact CB-CH2 4.23Å; I150-W200 HydrophobicContact CB-CZ3 3.9Å; I150-W200 HydrophobicContact CD1-CH2 3.96Å; I150-W200 HydrophobicContact CD1-CZ2 3.74Å; I150-W200 HydrophobicContact CD1-CZ3 4.49Å; I150-W200 HydrophobicContact CG2-CD2 4.43Å; I150-W200 HydrophobicContact CG2-CE3 3.68Å; I150-W200 HydrophobicContact CG2-CH2 3.66Å; I150-W200 HydrophobicContact CG2-CZ2 4.41Å; I150-W200 HydrophobicContact CG2-CZ3 3.25Å; I150-W200 CarbonylContact O-C 3.58Å; I150-W200 WeakPolarHBondContact O-CA 3.21Å; Y152-W200 HydrophobicContact CD1-CB 4.19Å; Y152-W200 AromaticContact CD1-CE3 3.79Å; Y152-W200 HydrophobicContact CD1-CE3 3.79Å; Y152-W200 HydrophobicContact CE1-CB 4.03Å; Y152-W200 HydrophobicContact CG-CE3 4.21Å; V157-W200 HydrophobicContact CG2-CH2 4.27Å; V157-W200 HydrophobicContact CG2-CZ3 4.21Å
201	Y	94.5	Very high	88	Confident	106 Å²	106	55.1 Å²	55.1	42%	0.416	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.2	178.9	-59.9	-82.7	0	0	0	109.9	N149 I150 E151 Y152 R199	N149-Y201 HydrophobicContact CB-CD2 4.19Å; N149-Y201 HydrophobicContact CB-CE2 3.7Å; I150-Y201 PolarHBondContact O-N 3.32Å; E151-Y201 CarbonylContact C-O 3.52Å; E151-Y201 VanDerWaalsContact CA-O 3.25Å; E151-Y201 WeakPolarHBondContact CA-O 3.48Å; Y152-Y201 WeakPolarHBondContact CD1-O 3.31Å; Y152-Y201 PolarHBondContact N-O 3.32Å; R199-Y201 HydrophobicContact CB-CE2 3.59Å; R199-Y201 VanDerWaalsContact CD-OH 3.26Å; R199-Y201 WeakPolarHBondContact CD-OH 3.42Å
202	E	93.3	Very high	87.3	Confident	158 Å²	158	54.4 Å²	54.4	74%	0.738	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.2	174.2	-169.8	174.9	-170.7	0	0	109.8	Y152	Y152-E202 HydrophobicContact CE1-CB 4.24Å
203	S	90.1	Very high	86.8	Confident	14 Å²	14	58.5 Å²	58.5	10%	0.098	31%	0.309	C	S	.	.			trans	-113	142.9	-180	-175.1	0	0	0	0	110.5	Y152 N153 L205	Y152-S203 PolarHBondContact O-N 2.81Å; N153-S203 PolarHBondContact ND2-O 2.91Å; S203-L205 VanDerWaalsContact C-N 3.26Å; S203-L205 PolarHBondContact O-N 3.06Å; S203-L205 PolarHBondContact OG-N 3.14Å
204	S	88.3	Confident	85.8	Confident	116 Å²	116	56.6 Å²	56.6	81%	0.811	30%	0.296	S	S	*	.	S	Bend	trans	-80.3	-5.8	175.9	57.1	0	0	0	0	113.6	P206	S204-P206 WeakPolarHBondContact O-CD 3.17Å
205	L	84.4	Confident	84.6	Confident	42 Å²	42	62.2 Å²	62.2	22%	0.22	32%	0.317	C	S	.	.	S	Bend	trans	-79.7	123.9	-178.1	-83.2	147.8	0	0	0	111.8	N153 I158 S203 R209 R213	N153-L205 VanDerWaalsContact CB-O 3.3Å; N153-L205 WeakPolarHBondContact CB-O 3.44Å; N153-L205 PolarHBondContact ND2-O 3.28Å; I158-L205 HydrophobicContact CG2-CB 4.24Å; S203-L205 VanDerWaalsContact C-N 3.26Å; S203-L205 PolarHBondContact O-N 3.06Å; S203-L205 PolarHBondContact OG-N 3.14Å; L205-R209 HydrophobicContact CD2-CB 4.47Å; L205-R213 HydrophobicContact CD1-CB 4.2Å; L205-R213 HydrophobicContact CD1-CG 4.31Å
206	P	83.3	Confident	83.2	Confident	70 Å²	70	65.6 Å²	65.6	46%	0.455	33%	0.334	S	S	.	.			trans	-63.8	148	173.2	-19.8	31.4	0	0	0	112.1	S204 A208 R209	S204-P206 WeakPolarHBondContact O-CD 3.17Å; P206-A208 PolarHBondContact O-N 3.46Å; P206-A208 VanDerWaalsContact O-N 3.13Å; P206-R209 PolarHBondContact O-N 2.96Å
207	S	77.8	Confident	81.9	Confident	54 Å²	54	68.2 Å²	68.2	38%	0.378	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-54.4	-34.5	179.2	61.2	0	0	0	0	113.9	R209 R210	S207-R209 PolarHBondContact O-N 3.12Å; S207-R210 WeakPolarHBondContact O-CB 3.37Å; S207-R210 PolarHBondContact O-N 3.26Å; S207-R210 VanDerWaalsContact O-N 3.13Å
208	A	75.1	Confident	80.3	Confident	95 Å²	95	70.3 Å²	70.3	79%	0.785	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-62.8	-27.4	177.1	0	0	0	0	0	113.8	P206	P206-A208 PolarHBondContact O-N 3.46Å; P206-A208 VanDerWaalsContact O-N 3.13Å
209	R	77.1	Confident	78.7	Confident	132 Å²	132	72.6 Å²	72.6	50%	0.498	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-99	12.5	178.6	-67.4	-178.1	71.6	-176.1	-3.1	112.7	L205 P206 S207 A211 E212	L205-R209 HydrophobicContact CD2-CB 4.47Å; P206-R209 PolarHBondContact O-N 2.96Å; S207-R209 PolarHBondContact O-N 3.12Å; R209-A211 PolarHBondContact O-N 2.89Å; R209-A211 VanDerWaalsContact O-N 3.13Å; R209-E212 IonicContact CZ-OE1 3.82Å; R209-E212 IonicContact CZ-OE2 3.45Å; R209-E212 VanDerWaalsContact CZ-OE2 3.25Å; R209-E212 IonicContact NE-OE1 3.53Å; R209-E212 PolarHBondContact NE-OE1 2.91Å; R209-E212 IonicContact NE-OE2 2.79Å; R209-E212 PolarHBondContact NE-OE2 3.41Å; R209-E212 VanDerWaalsContact NE-OE2 3.09Å; R209-E212 IonicContact NH2-OE1 3.37Å; R209-E212 PolarHBondContact NH2-OE1 3.4Å; R209-E212 IonicContact NH2-OE2 3.23Å; R209-E212 PolarHBondContact NH2-OE2 3.48Å; R209-E212 WeakPolarHBondContact O-CB 3.22Å; R209-E212 PolarHBondContact O-N 3.45Å
210	R	77.7	Confident	77.1	Confident	40 Å²	40	69.3 Å²	69.3	15%	0.151	36%	0.357	C	S	.	.	H	α-helix	trans	-49.6	-40.5	177.9	-172.5	175.7	102.8	169.4	4.8	113.2	D117 I119 V157 I158 S207 E212 R213 L214	D117-R210 PolarHBondContact O-NH1 2.83Å; D117-R210 PolarHBondContact O-NH2 2.84Å; D117-R210 IonicContact OD2-NH1 3.79Å; D117-R210 PolarHBondContact OD2-NH1 3.04Å; I119-R210 VanDerWaalsContact CG1-CZ 3.45Å; V157-R210 VanDerWaalsContact O-CD 3.31Å; V157-R210 WeakPolarHBondContact O-CD 3.42Å; V157-R210 PolarHBondContact O-NH1 2.77Å; I158-R210 HydrophobicContact CG2-CG 4.4Å; I158-R210 WeakPolarHBondContact O-CD 3.45Å; I158-R210 WeakPolarHBondContact O-CG 3.17Å; S207-R210 WeakPolarHBondContact O-CB 3.37Å; S207-R210 PolarHBondContact O-N 3.26Å; S207-R210 VanDerWaalsContact O-N 3.13Å; R210-E212 PolarHBondContact O-N 3.33Å; R210-R213 PolarHBondContact O-N 3.28Å; R210-R213 VanDerWaalsContact O-N 3.17Å; R210-L214 HydrophobicContact CG-CD1 4.15Å; R210-L214 PolarHBondContact O-N 2.77Å
211	A	69.9	Low	75.1	Confident	33 Å²	33	72.1 Å²	72.1	27%	0.273	38%	0.378	S	S	.	.	H	α-helix	trans	-59.3	-28.8	-179.6	0	0	0	0	0	113.4	R209 R215 H324	R209-A211 PolarHBondContact O-N 2.89Å; R209-A211 VanDerWaalsContact O-N 3.13Å; A211-R215 PolarHBondContact O-N 3.09Å; A211-R215 VanDerWaalsContact O-N 3.08Å; A211-H324 PolarHBondContact O-CD2 3.29Å; A211-H324 VanDerWaalsContact O-CD2 3.27Å; A211-H324 PolarHBondContact O-NE2 3.25Å
212	E	73.4	Confident	73.2	Confident	62 Å²	62	72.5 Å²	72.5	29%	0.29	38%	0.382	S	S	.	.	H	α-helix	trans	-70.3	-41.5	178.1	-61.7	176.6	-158.2	0	0	111.7	R209 R210 L214 R215 D216	R209-E212 IonicContact CZ-OE1 3.82Å; R209-E212 IonicContact CZ-OE2 3.45Å; R209-E212 VanDerWaalsContact CZ-OE2 3.25Å; R209-E212 IonicContact NE-OE1 3.53Å; R209-E212 PolarHBondContact NE-OE1 2.91Å; R209-E212 IonicContact NE-OE2 2.79Å; R209-E212 PolarHBondContact NE-OE2 3.41Å; R209-E212 VanDerWaalsContact NE-OE2 3.09Å; R209-E212 IonicContact NH2-OE1 3.37Å; R209-E212 PolarHBondContact NH2-OE1 3.4Å; R209-E212 IonicContact NH2-OE2 3.23Å; R209-E212 PolarHBondContact NH2-OE2 3.48Å; R209-E212 WeakPolarHBondContact O-CB 3.22Å; R209-E212 PolarHBondContact O-N 3.45Å; R210-E212 PolarHBondContact O-N 3.33Å; E212-L214 VanDerWaalsContact C-N 3.3Å; E212-L214 PolarHBondContact O-N 3.5Å; E212-R215 WeakPolarHBondContact O-CB 3.47Å; E212-R215 PolarHBondContact O-N 3.15Å; E212-D216 PolarHBondContact O-N 2.67Å
213	R	78.6	Confident	71.1	Confident	88 Å²	88	70.8 Å²	70.8	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-40.2	177.1	-174.8	58.1	172.1	151.6	1.9	111.6	E151 F159 L205 R210 D216 Y217	E151-R213 IonicContact OE1-CZ 2.71Å; E151-R213 IonicContact OE1-NE 3.92Å; E151-R213 IonicContact OE1-NH2 3.5Å; E151-R213 PolarHBondContact OE1-NH2 3.1Å; E151-R213 IonicContact OE2-NE 2.67Å; E151-R213 PolarHBondContact OE2-NE 3.32Å; E151-R213 IonicContact OE2-NH2 3.15Å; F159-R213 HydrophobicContact CB-CG 3.96Å; F159-R213 HydrophobicContact CD2-CG 4.31Å; F159-R213 HydrophobicContact CG-CG 4.15Å; L205-R213 HydrophobicContact CD1-CB 4.2Å; L205-R213 HydrophobicContact CD1-CG 4.31Å; R210-R213 PolarHBondContact O-N 3.28Å; R210-R213 VanDerWaalsContact O-N 3.17Å; R213-D216 PolarHBondContact O-N 3.12Å; R213-Y217 PolarHBondContact O-N 2.79Å
214	L	72.7	Confident	69.4	Low	19 Å²	19	71.8 Å²	71.8	10%	0.099	39%	0.386	C	S	.	.	H	α-helix	trans	-66.9	-35	176.7	-70.2	166.5	0	0	0	112.5	I119 F159 R210 E212 D216 H324	I119-L214 HydrophobicContact CG1-CD2 4.49Å; I119-L214 HydrophobicContact CG2-CD2 3.7Å; F159-L214 HydrophobicContact CD2-CD2 3.88Å; F159-L214 HydrophobicContact CE2-CD2 4.28Å; R210-L214 HydrophobicContact CG-CD1 4.15Å; R210-L214 PolarHBondContact O-N 2.77Å; E212-L214 VanDerWaalsContact C-N 3.3Å; E212-L214 PolarHBondContact O-N 3.5Å; L214-D216 VanDerWaalsContact C-N 3.32Å; L214-H324 HydrophobicContact CB-CB 4.44Å; L214-H324 HydrophobicContact CD1-CB 4.22Å
215	R	66.8	Low	67.5	Low	136 Å²	136	73.4 Å²	73.4	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-66	-36.9	176.3	-171.9	-174.1	64.2	-159.6	-6	112.5	A211 E212 H324	A211-R215 PolarHBondContact O-N 3.09Å; A211-R215 VanDerWaalsContact O-N 3.08Å; E212-R215 WeakPolarHBondContact O-CB 3.47Å; E212-R215 PolarHBondContact O-N 3.15Å; R215-H324 VanDerWaalsContact CA-NE2 3.27Å; R215-H324 WeakPolarHBondContact CA-NE2 3.32Å; R215-H324 WeakPolarHBondContact CB-NE2 3.47Å; R215-H324 PolarHBondContact N-NE2 2.99Å; R215-H324 VanDerWaalsContact N-NE2 3.2Å
216	D	66.1	Low	66.2	Low	94 Å²	94	75.9 Å²	75.9	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-80.1	-26.2	-174.8	-65.5	-10.9	0	0	0	111.7	E212 R213 L214	E212-D216 PolarHBondContact O-N 2.67Å; R213-D216 PolarHBondContact O-N 3.12Å; L214-D216 VanDerWaalsContact C-N 3.32Å
217	Y	68.5	Low	65.2	Low	60 Å²	60	77.8 Å²	77.8	24%	0.235	40%	0.396	C	S	.	.			trans	-77.4	129	173.5	-177	-106.7	0	0	0	111.9	W122 F159 N161 R213 F219	W122-Y217 HydrophobicContact CE3-CE1 4.27Å; W122-Y217 HydrophobicContact CZ3-CD1 4.41Å; W122-Y217 HydrophobicContact CZ3-CE1 4.3Å; F159-Y217 HydrophobicContact CE1-CD2 4.28Å; F159-Y217 HydrophobicContact CE1-CE2 4.48Å; F159-Y217 AromaticContact CE2-CD1 3.57Å; F159-Y217 HydrophobicContact CE2-CD1 3.57Å; F159-Y217 HydrophobicContact CE2-CD2 4.09Å; F159-Y217 HydrophobicContact CE2-CE1 4.18Å; F159-Y217 AromaticContact CE2-CG 3.51Å; F159-Y217 HydrophobicContact CE2-CG 3.51Å; F159-Y217 AromaticContact CZ-CD1 3.57Å; F159-Y217 HydrophobicContact CZ-CD1 3.57Å; F159-Y217 AromaticContact CZ-CD2 3.43Å; F159-Y217 HydrophobicContact CZ-CD2 3.43Å; F159-Y217 VanDerWaalsContact CZ-CD2 3.43Å; F159-Y217 AromaticContact CZ-CE1 3.84Å; F159-Y217 HydrophobicContact CZ-CE1 3.84Å; F159-Y217 AromaticContact CZ-CE2 3.73Å; F159-Y217 HydrophobicContact CZ-CE2 3.73Å; F159-Y217 AromaticContact CZ-CG 3.34Å; F159-Y217 HydrophobicContact CZ-CG 3.34Å; F159-Y217 AromaticContact CZ-CZ 3.92Å; N161-Y217 HydrophobicContact CB-CE2 4.42Å; R213-Y217 PolarHBondContact O-N 2.79Å; Y217-F219 HydrophobicContact CE1-CB 4.15Å
218	S	61.1	Low	64.7	Low	46 Å²	46	82 Å²	82	32%	0.322	40%	0.404	S	S	.	.			trans	-134.9	111.6	173.1	-165.5	0	0	0	0	108.9	F220 K222	S218-F220 PolarHBondContact OG-O 3.14Å; S218-K222 VanDerWaalsContact CB-CE 3.45Å
219	F	63.1	Low	64.5	Low	48 Å²	48	82.6 Å²	82.6	21%	0.211	39%	0.393	C	S	.	.	S	Bend	trans	-69.9	-39.1	173	174.6	-99.6	0	0	0	111.1	W122 F124 Y217	W122-F219 HydrophobicContact CB-CB 4.07Å; W122-F219 HydrophobicContact CB-CD1 3.4Å; W122-F219 HydrophobicContact CB-CD2 3.99Å; W122-F219 HydrophobicContact CB-CE1 3.74Å; W122-F219 HydrophobicContact CB-CE2 4.29Å; W122-F219 HydrophobicContact CB-CG 3.54Å; W122-F219 HydrophobicContact CB-CZ 4.18Å; W122-F219 HydrophobicContact CD2-CB 4.35Å; W122-F219 HydrophobicContact CE3-CB 3.82Å; W122-F219 HydrophobicContact CG-CD1 4.18Å; W122-F219 HydrophobicContact CG-CG 4.39Å; W122-F219 WeakPolarHBondContact O-CD2 3.22Å; W122-F219 VanDerWaalsContact O-CE2 3.24Å; W122-F219 WeakPolarHBondContact O-CE2 3.35Å; F124-F219 HydrophobicContact CD2-CE1 4.31Å; F124-F219 AromaticContact CD2-CZ 3.65Å; F124-F219 HydrophobicContact CD2-CZ 3.65Å; F124-F219 AromaticContact CE2-CE1 3.87Å; F124-F219 HydrophobicContact CE2-CE1 3.87Å; F124-F219 AromaticContact CE2-CZ 3.57Å; F124-F219 HydrophobicContact CE2-CZ 3.57Å; F124-F219 HydrophobicContact CG-CZ 4.45Å; F124-F219 HydrophobicContact CZ-CE1 4.2Å; F124-F219 HydrophobicContact CZ-CZ 4.33Å; Y217-F219 HydrophobicContact CE1-CB 4.15Å
220	F	61.6	Low	64.3	Low	21 Å²	21	79 Å²	79	9%	0.092	39%	0.388	C	S	.	.	S	Bend	trans	-82.1	139.5	175.1	-57.9	-58.4	0	0	0	110.3	Y35 Y111 S218 K222 R480	Y35-F220 HydrophobicContact CD2-CD1 4.05Å; Y35-F220 AromaticContact CD2-CE1 3.94Å; Y35-F220 HydrophobicContact CD2-CE1 3.94Å; Y35-F220 AromaticContact CE2-CD1 3.51Å; Y35-F220 HydrophobicContact CE2-CD1 3.51Å; Y35-F220 AromaticContact CE2-CE1 3.9Å; Y35-F220 HydrophobicContact CE2-CE1 3.9Å; Y35-F220 HydrophobicContact CE2-CG 4.43Å; Y111-F220 HydrophobicContact CD2-CE1 4.44Å; Y111-F220 AromaticContact CD2-CZ 3.84Å; Y111-F220 HydrophobicContact CD2-CZ 3.84Å; Y111-F220 AromaticContact CE2-CZ 3.96Å; Y111-F220 HydrophobicContact CE2-CZ 3.96Å; Y111-F220 HydrophobicContact CG-CE1 4.43Å; Y111-F220 HydrophobicContact CG-CZ 4.24Å; S218-F220 PolarHBondContact OG-O 3.14Å; F220-K222 PolarHBondContact O-N 3.19Å; F220-R480 HydrophobicContact CD2-CB 3.78Å; F220-R480 HydrophobicContact CE2-CB 4.03Å; F220-R480 HydrophobicContact CE2-CG 4.41Å; F220-R480 HydrophobicContact CG-CB 4.45Å
221	P	53.1	Low	64.2	Low	80 Å²	80	77.4 Å²	77.4	52%	0.519	38%	0.383	S	S	.	.			trans	-59.6	127.7	179.5	22.4	-30.7	0	0	0	109.6	T223	P221-T223 PolarHBondContact O-N 2.9Å
222	K	54.5	Low	64.7	Low	115 Å²	115	79.3 Å²	79.3	50%	0.5	39%	0.388	S	S	.	.			trans	-67.5	82.8	174.1	-65.8	-176.9	-177.2	178.9	0	109.3	S218 F220 L224 E481	S218-K222 VanDerWaalsContact CB-CE 3.45Å; F220-K222 PolarHBondContact O-N 3.19Å; K222-L224 PolarHBondContact O-N 3.5Å; K222-E481 WeakPolarHBondContact CA-OE1 3.34Å
223	T	50.8	Low	65	Low	122 Å²	122	81.8 Å²	81.8	75%	0.748	40%	0.403	S	S	*	.			trans	-72.3	-13.1	170.5	56.8	0	0	0	0	111.3	P221 E225	P221-T223 PolarHBondContact O-N 2.9Å; T223-E225 PolarHBondContact O-N 2.8Å; T223-E225 VanDerWaalsContact O-N 3.13Å
224	L	52.5	Low	65.2	Low	34 Å²	34	79.2 Å²	79.2	18%	0.178	40%	0.398	C	S	.	.			trans	-81.4	66.3	163.7	-76.5	137.2	0	0	0	109.1	K222 I226 Y472 T476 E481	K222-L224 PolarHBondContact O-N 3.5Å; L224-I226 VanDerWaalsContact C-N 3.29Å; L224-I226 WeakPolarHBondContact O-CG1 3.21Å; L224-I226 PolarHBondContact O-N 2.98Å; L224-Y472 HydrophobicContact CD2-CD1 3.47Å; L224-Y472 VanDerWaalsContact CD2-CD1 3.47Å; L224-Y472 HydrophobicContact CD2-CE1 4Å; L224-Y472 HydrophobicContact CD2-CG 4.47Å; L224-T476 HydrophobicContact CD1-CG2 3.95Å; L224-E481 HydrophobicContact CD1-CB 4.18Å; L224-E481 WeakPolarHBondContact CD1-OE2 3.41Å
225	E	48.6	Very low	65.7	Low	151 Å²	151	80.2 Å²	80.2	71%	0.706	40%	0.404	S	S	*	.			trans	-58.7	104.3	153.2	-78.4	-170.6	162.1	0	0	106.4	T223 H227	T223-E225 PolarHBondContact O-N 2.8Å; T223-E225 VanDerWaalsContact O-N 3.13Å; E225-H227 VanDerWaalsContact C-N 3.32Å; E225-H227 PolarHBondContact O-N 2.9Å
226	I	57.3	Low	66.7	Low	93 Å²	93	77.2 Å²	77.2	48%	0.477	40%	0.4	S	S	.	.			trans	-68.1	92.5	-173.1	-59.2	173.4	0	0	0	107.6	L224 W228 L485	L224-I226 VanDerWaalsContact C-N 3.29Å; L224-I226 WeakPolarHBondContact O-CG1 3.21Å; L224-I226 PolarHBondContact O-N 2.98Å; I226-W228 HydrophobicContact CG2-CB 3.7Å; I226-W228 HydrophobicContact CG2-CG 4.32Å; I226-W228 VanDerWaalsContact O-CD1 3.28Å; I226-W228 PolarHBondContact O-N 2.77Å; I226-L485 HydrophobicContact CD1-CD1 4.46Å; I226-L485 HydrophobicContact CG2-CD1 3.94Å
227	H	62.1	Low	67.6	Low	111 Å²	111	77.2 Å²	77.2	51%	0.514	40%	0.4	S	S	.	.			trans	-74.3	60.4	159.3	-70.3	-70.3	0	0	0	109	E225 L229 S230 I231	E225-H227 VanDerWaalsContact C-N 3.32Å; E225-H227 PolarHBondContact O-N 2.9Å; H227-L229 PolarHBondContact O-N 3.49Å; H227-S230 WeakPolarHBondContact O-CA 3.18Å; H227-S230 VanDerWaalsContact O-CB 3.31Å; H227-S230 WeakPolarHBondContact O-CB 3.44Å; H227-S230 PolarHBondContact O-N 3.3Å; H227-I231 PolarHBondContact O-N 2.95Å
228	W	67.6	Low	68.4	Low	141 Å²	141	75.1 Å²	75.1	53%	0.534	39%	0.393	S	S	.	.	H	α-helix	trans	-52.5	-27.5	172.7	59.3	-78.4	0	0	0	110.9	I226 I231 I232	I226-W228 HydrophobicContact CG2-CB 3.7Å; I226-W228 HydrophobicContact CG2-CG 4.32Å; I226-W228 VanDerWaalsContact O-CD1 3.28Å; I226-W228 PolarHBondContact O-N 2.77Å; W228-I231 PolarHBondContact O-N 3.32Å; W228-I232 HydrophobicContact CE3-CD1 3.44Å; W228-I232 VanDerWaalsContact CE3-CD1 3.44Å; W228-I232 HydrophobicContact CZ3-CD1 3.75Å; W228-I232 WeakPolarHBondContact O-CB 3.37Å; W228-I232 VanDerWaalsContact O-CG1 3.26Å; W228-I232 WeakPolarHBondContact O-CG1 3.21Å; W228-I232 PolarHBondContact O-N 2.93Å
229	L	71.2	Confident	69.7	Low	108 Å²	108	76.3 Å²	76.3	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-61	-42.3	169.2	-66.3	174.7	0	0	0	113.7	H227 N233	H227-L229 PolarHBondContact O-N 3.49Å; L229-N233 WeakPolarHBondContact O-CB 3.39Å; L229-N233 PolarHBondContact O-N 3.41Å
230	S	72.4	Confident	70.9	Confident	56 Å²	56	79.8 Å²	79.8	39%	0.392	42%	0.418	S	S	.	.	H	α-helix	trans	-65.7	-43.1	175.8	-176	0	0	0	0	111	H227 N233 S234	H227-S230 WeakPolarHBondContact O-CA 3.18Å; H227-S230 VanDerWaalsContact O-CB 3.31Å; H227-S230 WeakPolarHBondContact O-CB 3.44Å; H227-S230 PolarHBondContact O-N 3.3Å; S230-N233 PolarHBondContact O-N 2.7Å; S230-S234 WeakPolarHBondContact O-CB 3.42Å; S230-S234 PolarHBondContact O-N 2.94Å
231	I	76.6	Confident	72	Confident	7 Å²	7	83.5 Å²	83.5	4%	0.036	44%	0.439	C	S	.	.	H	α-helix	trans	-62.6	-50.1	177.1	-66.4	170.7	0	0	0	110.7	H227 W228 N233 S234 L235 E469 Y472 I488	H227-I231 PolarHBondContact O-N 2.95Å; W228-I231 PolarHBondContact O-N 3.32Å; I231-N233 VanDerWaalsContact C-N 3.34Å; I231-N233 PolarHBondContact O-N 3.4Å; I231-S234 PolarHBondContact O-N 3.5Å; I231-L235 VanDerWaalsContact O-CB 3.26Å; I231-L235 WeakPolarHBondContact O-CB 3.13Å; I231-L235 PolarHBondContact O-N 3.35Å; I231-E469 WeakPolarHBondContact CG1-OE1 3.26Å; I231-E469 WeakPolarHBondContact CG2-OE1 3.44Å; I231-Y472 HydrophobicContact CD1-CD2 4.03Å; I231-Y472 HydrophobicContact CD1-CE2 3.93Å; I231-Y472 HydrophobicContact CG1-CD2 4.19Å; I231-Y472 HydrophobicContact CG1-CE2 3.8Å; I231-I488 HydrophobicContact CG2-CD1 4.07Å; I231-I488 HydrophobicContact CG2-CG2 3.49Å; I231-I488 VanDerWaalsContact CG2-CG2 3.49Å
232	I	79.6	Confident	73.7	Confident	73 Å²	73	80.8 Å²	80.8	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.5	-71.1	176	0	0	0	111	W228 S234 L235 V236	W228-I232 HydrophobicContact CE3-CD1 3.44Å; W228-I232 VanDerWaalsContact CE3-CD1 3.44Å; W228-I232 HydrophobicContact CZ3-CD1 3.75Å; W228-I232 WeakPolarHBondContact O-CB 3.37Å; W228-I232 VanDerWaalsContact O-CG1 3.26Å; W228-I232 WeakPolarHBondContact O-CG1 3.21Å; W228-I232 PolarHBondContact O-N 2.93Å; I232-S234 PolarHBondContact O-N 3.05Å; I232-L235 PolarHBondContact O-N 2.87Å; I232-V236 HydrophobicContact CG2-CG2 4.23Å; I232-V236 VanDerWaalsContact O-CG2 3.29Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 3.33Å
233	N	81.1	Confident	75.3	Confident	115 Å²	115	76.7 Å²	76.7	62%	0.615	41%	0.41	S	S	*	.	H	α-helix	trans	-62.7	-44	179.5	-173.3	43.2	0	0	0	111.6	L229 S230 I231 L235 V236 L237	L229-N233 WeakPolarHBondContact O-CB 3.39Å; L229-N233 PolarHBondContact O-N 3.41Å; S230-N233 PolarHBondContact O-N 2.7Å; I231-N233 VanDerWaalsContact C-N 3.34Å; I231-N233 PolarHBondContact O-N 3.4Å; N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 2.79Å; N233-V236 PolarHBondContact O-N 2.91Å; N233-L237 WeakPolarHBondContact O-CB 3.33Å; N233-L237 PolarHBondContact O-N 3.39Å; N233-L237 VanDerWaalsContact O-N 3.08Å
234	S	82.2	Confident	77	Confident	33 Å²	33	77 Å²	77	23%	0.231	40%	0.402	C	S	.	.	H	α-helix	trans	-61.2	-43.8	174	-172.1	0	0	0	0	111.2	S230 I231 I232 L237 V238	S230-S234 WeakPolarHBondContact O-CB 3.42Å; S230-S234 PolarHBondContact O-N 2.94Å; I231-S234 PolarHBondContact O-N 3.5Å; I232-S234 PolarHBondContact O-N 3.05Å; S234-L237 PolarHBondContact O-N 3.12Å; S234-V238 WeakPolarHBondContact O-CG2 3.2Å; S234-V238 PolarHBondContact O-N 3.4Å
235	L	83.9	Confident	78.5	Confident	41 Å²	41	78 Å²	78	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-62.9	-45.3	179.6	-170.6	131.6	0	0	0	112.5	I231 I232 N233 L237 V238 V239 C491 V492 I495	I231-L235 VanDerWaalsContact O-CB 3.26Å; I231-L235 WeakPolarHBondContact O-CB 3.13Å; I231-L235 PolarHBondContact O-N 3.35Å; I232-L235 PolarHBondContact O-N 2.87Å; N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 2.79Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.16Å; L235-V238 PolarHBondContact O-N 3.21Å; L235-V239 WeakPolarHBondContact O-CG2 3.29Å; L235-V239 PolarHBondContact O-N 2.98Å; L235-C491 HydrophobicContact CD1-CB 3.68Å; L235-V492 HydrophobicContact CD1-CG2 4.07Å; L235-I495 HydrophobicContact CD1-CD1 3.65Å; L235-I495 HydrophobicContact CD2-CD1 4.03Å; L235-I495 HydrophobicContact CG-CD1 3.46Å; L235-I495 VanDerWaalsContact CG-CD1 3.46Å
236	V	85.9	Confident	80.3	Confident	72 Å²	72	74.1 Å²	74.1	44%	0.436	39%	0.392	S	S	.	.	H	α-helix	trans	-60.9	-44.5	176.3	170.6	0	0	0	0	110.5	I232 N233 V238 V239 L240	I232-V236 HydrophobicContact CG2-CG2 4.23Å; I232-V236 VanDerWaalsContact O-CG2 3.29Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 3.33Å; N233-V236 PolarHBondContact O-N 2.91Å; V236-V238 PolarHBondContact O-N 3.2Å; V236-V239 PolarHBondContact O-N 3Å; V236-L240 HydrophobicContact CG1-CD1 4.12Å; V236-L240 HydrophobicContact CG1-CG 4.47Å; V236-L240 WeakPolarHBondContact O-CG 3.46Å; V236-L240 PolarHBondContact O-N 2.96Å
237	L	85.1	Confident	81.8	Confident	95 Å²	95	75.2 Å²	75.2	50%	0.497	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-43.4	177.9	-178.7	144.3	0	0	0	111.9	N233 S234 L235 L240 L241	N233-L237 WeakPolarHBondContact O-CB 3.33Å; N233-L237 PolarHBondContact O-N 3.39Å; N233-L237 VanDerWaalsContact O-N 3.08Å; S234-L237 PolarHBondContact O-N 3.12Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.16Å; L237-L240 PolarHBondContact O-N 3.42Å; L237-L241 HydrophobicContact CD2-CD1 3.58Å; L237-L241 HydrophobicContact CD2-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.39Å; L237-L241 WeakPolarHBondContact O-CG 3.32Å; L237-L241 PolarHBondContact O-N 3.48Å
238	V	86.4	Confident	82.9	Confident	16 Å²	16	73.6 Å²	73.6	10%	0.097	39%	0.392	C	S	.	.	H	α-helix	trans	-65.1	-40.5	177.9	175.2	0	0	0	0	111.5	S234 L235 V236 L241 L242 A465 I495 V499	S234-V238 WeakPolarHBondContact O-CG2 3.2Å; S234-V238 PolarHBondContact O-N 3.4Å; L235-V238 PolarHBondContact O-N 3.21Å; V236-V238 PolarHBondContact O-N 3.2Å; V238-L241 PolarHBondContact O-N 3.23Å; V238-L242 VanDerWaalsContact O-CB 3.29Å; V238-L242 WeakPolarHBondContact O-CB 3.09Å; V238-L242 PolarHBondContact O-N 2.89Å; V238-A465 HydrophobicContact CG1-CB 3.9Å; V238-A465 HydrophobicContact CG2-CB 4.41Å; V238-I495 HydrophobicContact CB-CG2 4.45Å; V238-I495 HydrophobicContact CG1-CG2 3.4Å; V238-I495 VanDerWaalsContact CG1-CG2 3.4Å; V238-V499 HydrophobicContact CG1-CG2 4.28Å
239	V	87.8	Confident	83.7	Confident	70 Å²	70	68.1 Å²	68.1	42%	0.424	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-42	176.6	171.1	0	0	0	0	111.5	L235 V236 L242 G243 I495	L235-V239 WeakPolarHBondContact O-CG2 3.29Å; L235-V239 PolarHBondContact O-N 2.98Å; V236-V239 PolarHBondContact O-N 3Å; V239-L242 PolarHBondContact O-N 3.34Å; V239-G243 PolarHBondContact O-N 3.42Å; V239-I495 HydrophobicContact CG2-CD1 3.69Å; V239-I495 HydrophobicContact CG2-CG1 4.1Å
240	L	87.9	Confident	84.3	Confident	121 Å²	121	68.4 Å²	68.4	63%	0.634	37%	0.373	S	S	*	.	H	α-helix	trans	-64.2	-45.2	176.8	-70.6	175	0	0	0	111.9	V236 L237 L242 G243 F244	V236-L240 HydrophobicContact CG1-CD1 4.12Å; V236-L240 HydrophobicContact CG1-CG 4.47Å; V236-L240 WeakPolarHBondContact O-CG 3.46Å; V236-L240 PolarHBondContact O-N 2.96Å; L237-L240 PolarHBondContact O-N 3.42Å; L240-L242 VanDerWaalsContact C-N 3.33Å; L240-L242 PolarHBondContact O-N 3.01Å; L240-G243 PolarHBondContact O-N 3.01Å; L240-F244 PolarHBondContact O-N 3.01Å
241	L	86.3	Confident	85	Confident	99 Å²	99	75.2 Å²	75.2	52%	0.518	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-41.6	175.7	-72.7	176.2	0	0	0	111.7	L237 V238 F244 V245	L237-L241 HydrophobicContact CD2-CD1 3.58Å; L237-L241 HydrophobicContact CD2-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.39Å; L237-L241 WeakPolarHBondContact O-CG 3.32Å; L237-L241 PolarHBondContact O-N 3.48Å; V238-L241 PolarHBondContact O-N 3.23Å; L241-F244 WeakPolarHBondContact O-CB 3.43Å; L241-F244 PolarHBondContact O-N 3.44Å; L241-V245 WeakPolarHBondContact O-CG2 3.34Å; L241-V245 PolarHBondContact O-N 3.18Å
242	L	87.6	Confident	85.3	Confident	24 Å²	24	77.5 Å²	77.5	13%	0.126	40%	0.404	C	S	.	.	H	α-helix	trans	-60.9	-46.3	175.4	-179.4	64.3	0	0	0	111.2	V238 V239 L240 F244 V245 I246 V499 C502	V238-L242 VanDerWaalsContact O-CB 3.29Å; V238-L242 WeakPolarHBondContact O-CB 3.09Å; V238-L242 PolarHBondContact O-N 2.89Å; V239-L242 PolarHBondContact O-N 3.34Å; L240-L242 VanDerWaalsContact C-N 3.33Å; L240-L242 PolarHBondContact O-N 3.01Å; L242-F244 VanDerWaalsContact C-N 3.31Å; L242-F244 PolarHBondContact O-N 3.24Å; L242-V245 PolarHBondContact O-N 3.44Å; L242-I246 HydrophobicContact CD1-CD1 4.26Å; L242-I246 HydrophobicContact CG-CD1 4Å; L242-I246 VanDerWaalsContact O-CG1 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 2.84Å; L242-V499 HydrophobicContact CD1-CG2 3.98Å; L242-V499 HydrophobicContact CD2-CG2 4.3Å; L242-C502 HydrophobicContact CD1-CB 4.03Å
243	G	87.9	Confident	85.3	Confident	29 Å²	29	74.7 Å²	74.7	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-57.8	-43.8	175.4	0	0	0	0	0	112.2	V239 L240 I246 I247	V239-G243 PolarHBondContact O-N 3.42Å; L240-G243 PolarHBondContact O-N 3.01Å; G243-I246 PolarHBondContact O-N 3.48Å; G243-I247 VanDerWaalsContact O-CG1 3.27Å; G243-I247 WeakPolarHBondContact O-CG1 3.48Å; G243-I247 PolarHBondContact O-N 3.48Å
244	F	86.8	Confident	85.4	Confident	129 Å²	129	77 Å²	77	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-61.6	-45.6	176.2	-177.9	-109.1	0	0	0	112.6	L240 L241 L242 I246 I247 I248	L240-F244 PolarHBondContact O-N 3.01Å; L241-F244 WeakPolarHBondContact O-CB 3.43Å; L241-F244 PolarHBondContact O-N 3.44Å; L242-F244 VanDerWaalsContact C-N 3.31Å; L242-F244 PolarHBondContact O-N 3.24Å; F244-I246 PolarHBondContact O-N 3.01Å; F244-I247 PolarHBondContact O-N 3.06Å; F244-I248 HydrophobicContact CD1-CD1 3.72Å; F244-I248 HydrophobicContact CD2-CD1 4.48Å; F244-I248 HydrophobicContact CE1-CD1 3.23Å; F244-I248 HydrophobicContact CE1-CG1 4.37Å; F244-I248 HydrophobicContact CE2-CD1 4.07Å; F244-I248 HydrophobicContact CG-CD1 4.34Å; F244-I248 HydrophobicContact CZ-CD1 3.44Å; F244-I248 VanDerWaalsContact CZ-CD1 3.44Å; F244-I248 HydrophobicContact CZ-CG1 4.32Å; F244-I248 WeakPolarHBondContact O-CG1 3.42Å; F244-I248 PolarHBondContact O-N 3.33Å
245	V	84.6	Confident	85.4	Confident	55 Å²	55	80.9 Å²	80.9	33%	0.333	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-42.7	177.2	171.4	0	0	0	0	111.4	L241 L242 I247 I248 L249	L241-V245 WeakPolarHBondContact O-CG2 3.34Å; L241-V245 PolarHBondContact O-N 3.18Å; L242-V245 PolarHBondContact O-N 3.44Å; V245-I247 PolarHBondContact O-N 2.82Å; V245-I248 PolarHBondContact O-N 3.09Å; V245-L249 WeakPolarHBondContact O-CB 3.36Å; V245-L249 PolarHBondContact O-N 3.41Å
246	I	86.4	Confident	85	Confident	68 Å²	68	80.3 Å²	80.3	35%	0.349	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-44.8	177	-69.4	167.5	0	0	0	110.7	L242 G243 F244 I248 L249 M250	L242-I246 HydrophobicContact CD1-CD1 4.26Å; L242-I246 HydrophobicContact CG-CD1 4Å; L242-I246 VanDerWaalsContact O-CG1 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 2.84Å; G243-I246 PolarHBondContact O-N 3.48Å; F244-I246 PolarHBondContact O-N 3.01Å; I246-I248 PolarHBondContact O-N 3.09Å; I246-L249 PolarHBondContact O-N 2.77Å; I246-M250 HydrophobicContact CG2-CG 4.32Å; I246-M250 WeakPolarHBondContact O-CB 3.15Å; I246-M250 VanDerWaalsContact O-CG 3.31Å; I246-M250 WeakPolarHBondContact O-CG 3.27Å; I246-M250 PolarHBondContact O-N 3.32Å
247	I	87.8	Confident	84.5	Confident	116 Å²	116	79 Å²	79	60%	0.595	40%	0.398	S	S	*	.	H	α-helix	trans	-61.6	-45	178.3	-69.4	165.4	0	0	0	110.7	G243 F244 V245 M250 R251	G243-I247 VanDerWaalsContact O-CG1 3.27Å; G243-I247 WeakPolarHBondContact O-CG1 3.48Å; G243-I247 PolarHBondContact O-N 3.48Å; F244-I247 PolarHBondContact O-N 3.06Å; V245-I247 PolarHBondContact O-N 2.82Å; I247-M250 PolarHBondContact O-N 2.67Å; I247-R251 VanDerWaalsContact O-CB 3.24Å; I247-R251 WeakPolarHBondContact O-CB 3.39Å; I247-R251 PolarHBondContact O-N 3.35Å
248	I	86.3	Confident	84.1	Confident	78 Å²	78	76.9 Å²	76.9	40%	0.4	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-49.9	176.6	-71.5	172.5	0	0	0	110.4	F244 V245 I246 M250 R251 V252	F244-I248 HydrophobicContact CD1-CD1 3.72Å; F244-I248 HydrophobicContact CD2-CD1 4.48Å; F244-I248 HydrophobicContact CE1-CD1 3.23Å; F244-I248 HydrophobicContact CE1-CG1 4.37Å; F244-I248 HydrophobicContact CE2-CD1 4.07Å; F244-I248 HydrophobicContact CG-CD1 4.34Å; F244-I248 HydrophobicContact CZ-CD1 3.44Å; F244-I248 VanDerWaalsContact CZ-CD1 3.44Å; F244-I248 HydrophobicContact CZ-CG1 4.32Å; F244-I248 WeakPolarHBondContact O-CG1 3.42Å; F244-I248 PolarHBondContact O-N 3.33Å; V245-I248 PolarHBondContact O-N 3.09Å; I246-I248 PolarHBondContact O-N 3.09Å; I248-M250 VanDerWaalsContact C-N 3.34Å; I248-M250 PolarHBondContact O-N 2.95Å; I248-R251 PolarHBondContact O-N 2.79Å; I248-R251 VanDerWaalsContact O-N 3.16Å; I248-V252 HydrophobicContact CG2-CG2 4.21Å; I248-V252 WeakPolarHBondContact O-CG2 3.39Å; I248-V252 PolarHBondContact O-N 2.87Å
249	L	84.2	Confident	83.5	Confident	25 Å²	25	83.7 Å²	83.7	13%	0.131	42%	0.419	C	S	.	.	H	α-helix	trans	-59.1	-46.4	-178.9	-177.4	67.9	0	0	0	111	V245 I246 R251 V252 L253 V505 A506	V245-L249 WeakPolarHBondContact O-CB 3.36Å; V245-L249 PolarHBondContact O-N 3.41Å; I246-L249 PolarHBondContact O-N 2.77Å; L249-R251 VanDerWaalsContact C-N 3.34Å; L249-R251 PolarHBondContact O-N 2.92Å; L249-V252 PolarHBondContact O-N 2.83Å; L249-L253 HydrophobicContact CD1-CD1 4.42Å; L249-L253 HydrophobicContact CG-CD1 4.07Å; L249-L253 WeakPolarHBondContact O-CB 3.17Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 3.16Å; L249-V505 HydrophobicContact CD2-CB 4.44Å; L249-V505 HydrophobicContact CD2-CG1 3.91Å; L249-A506 HydrophobicContact CD1-CB 4.1Å
250	M	83.6	Confident	82.5	Confident	114 Å²	114	81.9 Å²	81.9	56%	0.562	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-38.2	176.9	-72.6	-61.2	-69.6	0	0	112.3	I246 I247 I248 K254	I246-M250 HydrophobicContact CG2-CG 4.32Å; I246-M250 WeakPolarHBondContact O-CB 3.15Å; I246-M250 VanDerWaalsContact O-CG 3.31Å; I246-M250 WeakPolarHBondContact O-CG 3.27Å; I246-M250 PolarHBondContact O-N 3.32Å; I247-M250 PolarHBondContact O-N 2.67Å; I248-M250 VanDerWaalsContact C-N 3.34Å; I248-M250 PolarHBondContact O-N 2.95Å; M250-K254 VanDerWaalsContact O-CB 3.23Å; M250-K254 WeakPolarHBondContact O-CB 3.48Å; M250-K254 PolarHBondContact O-N 3.24Å
251	R	86.8	Confident	81.6	Confident	199 Å²	199	80.6 Å²	80.6	75%	0.751	40%	0.398	S	S	*	.	H	α-helix	trans	-65.4	-45	175.9	-177.1	178.5	178.5	172.7	0.1	111.5	I247 I248 L249 K254 N255	I247-R251 VanDerWaalsContact O-CB 3.24Å; I247-R251 WeakPolarHBondContact O-CB 3.39Å; I247-R251 PolarHBondContact O-N 3.35Å; I248-R251 PolarHBondContact O-N 2.79Å; I248-R251 VanDerWaalsContact O-N 3.16Å; L249-R251 VanDerWaalsContact C-N 3.34Å; L249-R251 PolarHBondContact O-N 2.92Å; R251-K254 PolarHBondContact O-N 3.31Å; R251-N255 VanDerWaalsContact O-CB 3.29Å; R251-N255 WeakPolarHBondContact O-CB 3.4Å; R251-N255 PolarHBondContact O-N 3.2Å
252	V	82.6	Confident	80.7	Confident	55 Å²	55	80.8 Å²	80.8	33%	0.333	40%	0.403	S	S	.	.	H	α-helix	trans	-61.3	-50.7	176.4	170.2	0	0	0	0	109.8	I248 L249 K254 N255 D256 Y509	I248-V252 HydrophobicContact CG2-CG2 4.21Å; I248-V252 WeakPolarHBondContact O-CG2 3.39Å; I248-V252 PolarHBondContact O-N 2.87Å; L249-V252 PolarHBondContact O-N 2.83Å; V252-K254 PolarHBondContact O-N 3.48Å; V252-N255 PolarHBondContact O-N 3.49Å; V252-D256 WeakPolarHBondContact O-CB 3.39Å; V252-D256 PolarHBondContact O-N 3.24Å; V252-Y509 HydrophobicContact CG1-CE1 4.19Å
253	L	80.6	Confident	79.5	Confident	15 Å²	15	84 Å²	84	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-58.4	-46.1	177.9	-71.9	169.9	0	0	0	111.9	L249 N255 D256 F257 Y509 F583	L249-L253 HydrophobicContact CD1-CD1 4.42Å; L249-L253 HydrophobicContact CG-CD1 4.07Å; L249-L253 WeakPolarHBondContact O-CB 3.17Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 3.16Å; L253-N255 VanDerWaalsContact C-N 3.35Å; L253-N255 PolarHBondContact O-N 2.61Å; L253-D256 PolarHBondContact O-N 3.37Å; L253-F257 HydrophobicContact CB-CE2 4.42Å; L253-F257 WeakPolarHBondContact O-CD2 3.34Å; L253-F257 WeakPolarHBondContact O-CG 3.4Å; L253-F257 PolarHBondContact O-N 3.43Å; L253-Y509 HydrophobicContact CD2-CD2 3.71Å; L253-Y509 HydrophobicContact CD2-CE2 3.83Å; L253-Y509 HydrophobicContact CD2-CG 4.34Å; L253-F583 HydrophobicContact CD1-CE2 3.75Å; L253-F583 HydrophobicContact CD1-CZ 4.49Å; L253-F583 HydrophobicContact CD2-CE2 3.78Å; L253-F583 HydrophobicContact CD2-CZ 3.8Å; L253-F583 HydrophobicContact CG-CE2 4.44Å
254	K	82.8	Confident	78.2	Confident	164 Å²	164	87.9 Å²	87.9	71%	0.713	43%	0.428	S	S	*	.	H	α-helix	trans	-63.5	-40.8	178.7	-174.3	177.9	177.9	-179	0	112	M250 R251 V252 A258	M250-K254 VanDerWaalsContact O-CB 3.23Å; M250-K254 WeakPolarHBondContact O-CB 3.48Å; M250-K254 PolarHBondContact O-N 3.24Å; R251-K254 PolarHBondContact O-N 3.31Å; V252-K254 PolarHBondContact O-N 3.48Å; K254-A258 WeakPolarHBondContact O-CB 3.17Å; K254-A258 PolarHBondContact O-N 3.04Å
255	N	81.6	Confident	76.9	Confident	113 Å²	113	90.1 Å²	90.1	60%	0.604	44%	0.44	S	S	*	.	H	α-helix	trans	-66.7	-42	178	-167.6	45.9	0	0	0	111.5	R251 V252 L253 A258 R259	R251-N255 VanDerWaalsContact O-CB 3.29Å; R251-N255 WeakPolarHBondContact O-CB 3.4Å; R251-N255 PolarHBondContact O-N 3.2Å; V252-N255 PolarHBondContact O-N 3.49Å; L253-N255 VanDerWaalsContact C-N 3.35Å; L253-N255 PolarHBondContact O-N 2.61Å; N255-A258 PolarHBondContact O-N 3.16Å; N255-R259 PolarHBondContact O-N 3.49Å
256	D	76.1	Confident	75.7	Confident	30 Å²	30	90.6 Å²	90.6	16%	0.16	46%	0.456	C	S	.	.	H	α-helix	trans	-61.6	-48.8	174.4	-90.8	30.9	0	0	0	111.7	V252 L253 A258 R259 Y260 Y509	V252-D256 WeakPolarHBondContact O-CB 3.39Å; V252-D256 PolarHBondContact O-N 3.24Å; L253-D256 PolarHBondContact O-N 3.37Å; D256-A258 VanDerWaalsContact C-N 3.27Å; D256-A258 PolarHBondContact O-N 3.34Å; D256-R259 PolarHBondContact O-N 3.36Å; D256-Y260 HydrophobicContact CB-CD2 4.43Å; D256-Y260 HydrophobicContact CB-CE2 4.28Å; D256-Y260 WeakPolarHBondContact O-CD2 3.3Å; D256-Y260 PolarHBondContact O-N 3.07Å; D256-Y509 PolarHBondContact OD2-OH 3.48Å
257	F	75.2	Confident	73.8	Confident	44 Å²	44	90.3 Å²	90.3	19%	0.193	47%	0.47	C	S	.	.	H	α-helix	trans	-57.2	-41	175.4	-79.1	-59.5	0	0	0	112.2	L253 N261 W278 Y586 I587 S590	L253-F257 HydrophobicContact CB-CE2 4.42Å; L253-F257 WeakPolarHBondContact O-CD2 3.34Å; L253-F257 WeakPolarHBondContact O-CG 3.4Å; L253-F257 PolarHBondContact O-N 3.43Å; F257-N261 WeakPolarHBondContact O-CB 3.29Å; F257-N261 VanDerWaalsContact O-CG 3.22Å; F257-N261 PolarHBondContact O-N 3.08Å; F257-N261 VanDerWaalsContact O-N 3.09Å; F257-W278 HydrophobicContact CD1-CZ2 4.35Å; F257-W278 AromaticContact CE1-CH2 3.76Å; F257-W278 HydrophobicContact CE1-CH2 3.76Å; F257-W278 AromaticContact CE1-CZ2 3.88Å; F257-W278 HydrophobicContact CE1-CZ2 3.88Å; F257-W278 HydrophobicContact CZ-CH2 4.41Å; F257-W278 HydrophobicContact CZ-CZ2 4.45Å; F257-Y586 HydrophobicContact CE2-CE1 4.48Å; F257-I587 HydrophobicContact CZ-CB 4.17Å; F257-I587 HydrophobicContact CZ-CG2 3.97Å; F257-S590 WeakPolarHBondContact CE1-OG 3.36Å
258	A	76.9	Confident	71.8	Confident	51 Å²	51	89.6 Å²	89.6	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-43	177.5	0	0	0	0	0	112	K254 N255 D256 V262	K254-A258 WeakPolarHBondContact O-CB 3.17Å; K254-A258 PolarHBondContact O-N 3.04Å; N255-A258 PolarHBondContact O-N 3.16Å; D256-A258 VanDerWaalsContact C-N 3.27Å; D256-A258 PolarHBondContact O-N 3.34Å; A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.1Å
259	R	73.7	Confident	69.8	Low	159 Å²	159	93.6 Å²	93.6	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-59.9	-49.4	177	-178.9	-178.2	172.3	178	2	111.8	N255 D256 N261 V262 E263	N255-R259 PolarHBondContact O-N 3.49Å; D256-R259 PolarHBondContact O-N 3.36Å; R259-N261 PolarHBondContact O-N 3.43Å; R259-V262 PolarHBondContact O-N 2.89Å; R259-E263 IonicContact CZ-OE1 3.86Å; R259-E263 IonicContact NE-OE1 3.08Å; R259-E263 PolarHBondContact NE-OE1 3.33Å; R259-E263 VanDerWaalsContact NE-OE1 3.08Å; R259-E263 IonicContact NH2-OE1 3.75Å; R259-E263 PolarHBondContact O-N 3.4Å
260	Y	65.9	Low	68	Low	32 Å²	32	98.3 Å²	98.3	13%	0.125	52%	0.522	C	S	.	.	H	α-helix	trans	-70.8	-29.6	-176.3	-70.7	-63.9	0	0	0	113.7	D256 E263 E264 N276	D256-Y260 HydrophobicContact CB-CD2 4.43Å; D256-Y260 HydrophobicContact CB-CE2 4.28Å; D256-Y260 WeakPolarHBondContact O-CD2 3.3Å; D256-Y260 PolarHBondContact O-N 3.07Å; Y260-E263 WeakPolarHBondContact CD1-OE2 3.44Å; Y260-E264 PolarHBondContact O-N 3.49Å; Y260-N276 PolarHBondContact OH-O 3.02Å; Y260-N276 VanDerWaalsContact OH-O 3.11Å
261	N	69.4	Low	66.2	Low	94 Å²	94	98.5 Å²	98.5	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-69.4	-36	174.7	-73.2	-8	0	0	0	112	F257 R259 E264 E265	F257-N261 WeakPolarHBondContact O-CB 3.29Å; F257-N261 VanDerWaalsContact O-CG 3.22Å; F257-N261 PolarHBondContact O-N 3.08Å; F257-N261 VanDerWaalsContact O-N 3.09Å; R259-N261 PolarHBondContact O-N 3.43Å; N261-E264 PolarHBondContact O-N 3.46Å; N261-E265 PolarHBondContact O-N 2.92Å
262	V	67.6	Low	64.3	Low	103 Å²	103	97 Å²	97	62%	0.624	53%	0.531	S	S	*	.	H	α-helix	trans	-68.9	-38.2	177.2	173	0	0	0	0	111.3	A258 R259 E264 E265 G266	A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.1Å; R259-V262 PolarHBondContact O-N 2.89Å; V262-E264 VanDerWaalsContact C-N 3.26Å; V262-E264 PolarHBondContact O-N 3.07Å; V262-E265 PolarHBondContact O-N 3.44Å; V262-G266 PolarHBondContact O-N 2.75Å
263	E	62.2	Low	62.3	Low	90 Å²	90	102.4 Å²	102.4	42%	0.421	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-30.4	174.6	-70.4	169.6	-174.7	0	0	111.8	R259 Y260	R259-E263 IonicContact CZ-OE1 3.86Å; R259-E263 IonicContact NE-OE1 3.08Å; R259-E263 PolarHBondContact NE-OE1 3.33Å; R259-E263 VanDerWaalsContact NE-OE1 3.08Å; R259-E263 IonicContact NH2-OE1 3.75Å; R259-E263 PolarHBondContact O-N 3.4Å; Y260-E263 WeakPolarHBondContact CD1-OE2 3.44Å
264	E	60.4	Low	60.7	Low	111 Å²	111	103.6 Å²	103.6	52%	0.519	57%	0.569	S	S	.	*	H	α-helix	trans	-76.9	-30.9	178.5	-163.3	166.9	153.3	0	0	113.6	Y260 N261 V262 G266 K279	Y260-E264 PolarHBondContact O-N 3.49Å; N261-E264 PolarHBondContact O-N 3.46Å; V262-E264 VanDerWaalsContact C-N 3.26Å; V262-E264 PolarHBondContact O-N 3.07Å; E264-G266 VanDerWaalsContact C-N 3.32Å; E264-K279 IonicContact OE2-NZ 2.8Å; E264-K279 PolarHBondContact OE2-NZ 3.34Å
265	E	60.8	Low	59.3	Low	176 Å²	176	99.3 Å²	99.3	82%	0.822	55%	0.554	S	S	*	*	H	α-helix	trans	-79.5	-11.2	176.6	-70.1	178.9	176.4	0	0	113.3	N261 V262	N261-E265 PolarHBondContact O-N 2.92Å; V262-E265 PolarHBondContact O-N 3.44Å
266	G	57.8	Low	58.2	Low	66 Å²	66	99.5 Å²	99.5	68%	0.68	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-6.1	-170	0	0	0	0	0	118.4	V262 E264	V262-G266 PolarHBondContact O-N 2.75Å; E264-G266 VanDerWaalsContact C-N 3.32Å
267	G	48	Very low	58.1	Low	62 Å²	62	98.2 Å²	98.2	64%	0.639	55%	0.549	S	S	*	.			trans	86.8	146.5	176	0	0	0	0	0	116.2	D269	G267-D269 VanDerWaalsContact C-N 3.35Å; G267-D269 PolarHBondContact O-N 2.86Å
268	C	45.7	Very low	58.4	Low	101 Å²	101	96.6 Å²	96.6	68%	0.682	54%	0.542	S	S	*	.	S	Bend	trans	-68.1	25.3	-161	-68.4	0	0	0	0	120	L271	C268-L271 HydrophobicContact CB-CD1 4.07Å
269	D	44.5	Very low	58.6	Low	162 Å²	162	95.9 Å²	95.9	87%	0.866	53%	0.529	S	S	*	.	S	Bend	trans	-97.8	4.7	-173.5	-92.8	-4.7	0	0	0	116.4	G267	G267-D269 VanDerWaalsContact C-N 3.35Å; G267-D269 PolarHBondContact O-N 2.86Å
270	D	45.8	Very low	59	Low	124 Å²	124	90.1 Å²	90.1	66%	0.663	51%	0.51	S	S	*	.			trans	-139.5	32.9	178.8	-103	-25.5	0	0	0	114.1	D272 Q273	D270-D272 PolarHBondContact O-N 2.85Å; D270-Q273 PolarHBondContact O-N 3.34Å
271	L	46.7	Very low	60	Low	117 Å²	117	88.6 Å²	88.6	61%	0.613	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.2	-173.5	-75	165.9	0	0	0	115.7	C268	C268-L271 HydrophobicContact CB-CD1 4.07Å
272	D	45.9	Very low	60.7	Low	168 Å²	168	86 Å²	86	90%	0.898	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-4.1	-177.2	-82.7	-24.8	0	0	0	115.1	D270	D270-D272 PolarHBondContact O-N 2.85Å
273	Q	41.7	Very low	61.5	Low	168 Å²	168	81.8 Å²	81.8	79%	0.785	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-8.7	-176	-81.3	-179.5	27.6	0	0	116.1	D270	D270-Q273 PolarHBondContact O-N 3.34Å
274	G	45.3	Very low	62.7	Low	40 Å²	40	77.6 Å²	77.6	41%	0.412	44%	0.444	S	S	.	.	S	Bend	trans	-110.6	-19.4	-171.2	0	0	0	0	0	118.3	N276	G274-N276 PolarHBondContact O-N 2.7Å
275	D	53.3	Low	64.1	Low	75 Å²	75	72.3 Å²	72.3	40%	0.401	42%	0.419	S	S	.	.			trans	-79.7	45.7	-167.1	-84.8	-9.4	0	0	0	115	I280	D275-I280 HydrophobicContact CB-CB 4.47Å; D275-I280 HydrophobicContact CB-CD1 3.86Å; D275-I280 HydrophobicContact CB-CG1 4.39Å; D275-I280 WeakPolarHBondContact O-CB 3.09Å; D275-I280 WeakPolarHBondContact O-CD1 3.24Å
276	N	59.7	Low	65.6	Low	116 Å²	116	64.1 Å²	64.1	62%	0.62	38%	0.381	S	S	*	.			trans	-82.9	122.8	173.7	-66.9	-16.2	0	0	0	110.1	Y260 G274	Y260-N276 PolarHBondContact OH-O 3.02Å; Y260-N276 VanDerWaalsContact OH-O 3.11Å; G274-N276 PolarHBondContact O-N 2.7Å
277	G	74.7	Confident	67.2	Low	4 Å²	4	64.1 Å²	64.1	4%	0.041	36%	0.36	C	S	.	.	S	Bend	trans	134.7	-149.6	168.2	0	0	0	0	0	115.3	I280	G277-I280 WeakPolarHBondContact O-CG2 3.49Å
278	W	80.7	Confident	69.3	Low	9 Å²	9	64.1 Å²	64.1	3%	0.034	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.3	-172.3	62.4	-90.2	0	0	0	113.4	F257 I280 I281 L512 I587 Y588 L591	F257-W278 HydrophobicContact CD1-CZ2 4.35Å; F257-W278 AromaticContact CE1-CH2 3.76Å; F257-W278 HydrophobicContact CE1-CH2 3.76Å; F257-W278 AromaticContact CE1-CZ2 3.88Å; F257-W278 HydrophobicContact CE1-CZ2 3.88Å; F257-W278 HydrophobicContact CZ-CH2 4.41Å; F257-W278 HydrophobicContact CZ-CZ2 4.45Å; W278-I280 PolarHBondContact O-N 3.23Å; W278-I281 WeakPolarHBondContact O-CG1 3.35Å; W278-I281 PolarHBondContact O-N 2.84Å; W278-L512 WeakPolarHBondContact CA-O 3.38Å; W278-L512 HydrophobicContact CB-CB 3.68Å; W278-I587 HydrophobicContact CD2-CD1 4.23Å; W278-I587 HydrophobicContact CE3-CB 4.47Å; W278-I587 HydrophobicContact CE3-CD1 3.81Å; W278-I587 HydrophobicContact CE3-CG1 4.16Å; W278-I587 HydrophobicContact CH2-CB 4.09Å; W278-I587 HydrophobicContact CZ3-CB 3.93Å; W278-I587 HydrophobicContact CZ3-CD1 4.14Å; W278-I587 HydrophobicContact CZ3-CG1 3.98Å; W278-Y588 AromaticContact CE3-CE1 3.94Å; W278-Y588 HydrophobicContact CE3-CE1 3.94Å; W278-Y588 HydrophobicContact CE3-CE2 4.37Å; W278-Y588 AromaticContact CE3-CZ 3.83Å; W278-Y588 HydrophobicContact CZ3-CD1 4.41Å; W278-Y588 HydrophobicContact CZ3-CE1 4.21Å; W278-Y588 PolarHBondContact O-OH 3.23Å; W278-L591 HydrophobicContact CH2-CD1 4.23Å; W278-L591 HydrophobicContact CH2-CG 4.38Å; W278-L591 HydrophobicContact CZ3-CD1 3.65Å; W278-L591 HydrophobicContact CZ3-CG 4.26Å
279	K	81.3	Confident	71.6	Confident	36 Å²	36	59.8 Å²	59.8	16%	0.157	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63.3	-40.1	-179.1	-171.6	173.5	-178.1	178.3	0	112.8	E264 I281 H282 L591	E264-K279 IonicContact OE2-NZ 2.8Å; E264-K279 PolarHBondContact OE2-NZ 3.34Å; K279-I281 VanDerWaalsContact C-N 3.26Å; K279-I281 PolarHBondContact O-N 3.26Å; K279-H282 WeakPolarHBondContact O-CB 3.46Å; K279-H282 PolarHBondContact O-N 3.45Å; K279-H282 PolarHBondContact O-ND1 3.12Å; K279-L591 HydrophobicContact CD-CD2 3.81Å; K279-L591 VanDerWaalsContact CE-CD2 3.49Å; K279-L591 HydrophobicContact CG-CD1 4.3Å; K279-L591 HydrophobicContact CG-CD2 3.79Å
280	I	82.4	Confident	73.8	Confident	38 Å²	38	56.2 Å²	56.2	20%	0.195	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.6	-26.7	-175.9	-159.1	167.4	0	0	0	113.3	D275 G277 W278 H282 R440 E515	D275-I280 HydrophobicContact CB-CB 4.47Å; D275-I280 HydrophobicContact CB-CD1 3.86Å; D275-I280 HydrophobicContact CB-CG1 4.39Å; D275-I280 WeakPolarHBondContact O-CB 3.09Å; D275-I280 WeakPolarHBondContact O-CD1 3.24Å; G277-I280 WeakPolarHBondContact O-CG2 3.49Å; W278-I280 PolarHBondContact O-N 3.23Å; I280-H282 VanDerWaalsContact C-N 3.33Å; I280-H282 PolarHBondContact O-N 3.33Å; I280-R440 VanDerWaalsContact CD1-NH2 3.31Å; I280-E515 HydrophobicContact CG2-CG 4.02Å
281	I	86.9	Confident	76.2	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-89.2	8.5	-178.8	58.5	167.4	0	0	0	113.6	W278 K279 T283 D284 V285 L512 E515	W278-I281 WeakPolarHBondContact O-CG1 3.35Å; W278-I281 PolarHBondContact O-N 2.84Å; K279-I281 VanDerWaalsContact C-N 3.26Å; K279-I281 PolarHBondContact O-N 3.26Å; I281-T283 PolarHBondContact O-N 2.96Å; I281-D284 PolarHBondContact O-N 3.38Å; I281-V285 HydrophobicContact CB-CG2 4.1Å; I281-V285 HydrophobicContact CD1-CG2 3.76Å; I281-V285 HydrophobicContact CG1-CG2 3.66Å; I281-V285 WeakPolarHBondContact O-CG2 3.28Å; I281-V285 PolarHBondContact O-N 2.91Å; I281-L512 HydrophobicContact CD1-CB 4.19Å; I281-L512 HydrophobicContact CD1-CD2 3.54Å; I281-L512 HydrophobicContact CD1-CG 4.48Å; I281-E515 HydrophobicContact CG2-CB 4.12Å
282	H	83.9	Confident	78.5	Confident	40 Å²	40	55.1 Å²	55.1	19%	0.185	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-52.1	-30.6	-179.5	71.4	-83.3	0	0	0	113.8	K279 I280 C433 Y588 M593	K279-H282 WeakPolarHBondContact O-CB 3.46Å; K279-H282 PolarHBondContact O-N 3.45Å; K279-H282 PolarHBondContact O-ND1 3.12Å; I280-H282 VanDerWaalsContact C-N 3.33Å; I280-H282 PolarHBondContact O-N 3.33Å; H282-C433 WeakPolarHBondContact O-CB 3.2Å; H282-Y588 VanDerWaalsContact CA-CE1 3.5Å; H282-Y588 HydrophobicContact CB-CD1 3.74Å; H282-Y588 HydrophobicContact CB-CE1 3.57Å; H282-M593 VanDerWaalsContact NE2-CE 3.29Å; H282-M593 WeakPolarHBondContact NE2-CE 3.49Å
283	T	84.3	Confident	80.9	Confident	15 Å²	15	48.4 Å²	48.4	9%	0.092	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-80.4	-6.2	177.6	61.4	0	0	0	0	115.4	I281 T435 R436	I281-T283 PolarHBondContact O-N 2.96Å; T283-T435 WeakPolarHBondContact O-CA 3.29Å; T283-R436 HydrophobicContact CG2-CG 4.09Å; T283-R436 PolarHBondContact O-N 3.5Å
284	D	87.4	Confident	83.5	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.011	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-16.8	-177.9	-82.7	-50.8	0	0	0	113.8	I281 F286 R287 R440 Y517	I281-D284 PolarHBondContact O-N 3.38Å; D284-F286 VanDerWaalsContact C-N 3.29Å; D284-F286 PolarHBondContact O-N 3.45Å; D284-R287 WeakPolarHBondContact O-CB 3.36Å; D284-R287 PolarHBondContact O-N 3.24Å; D284-R287 IonicContact OD1-CZ 2.82Å; D284-R287 IonicContact OD1-NE 2.73Å; D284-R287 PolarHBondContact OD1-NE 2.93Å; D284-R287 IonicContact OD1-NH2 2.78Å; D284-R287 PolarHBondContact OD1-NH2 3.42Å; D284-R440 WeakPolarHBondContact OD2-CB 3.45Å; D284-R440 PolarHBondContact OD2-N 2.92Å; D284-Y517 HydrophobicContact CB-CD1 3.83Å; D284-Y517 HydrophobicContact CB-CD2 4.27Å; D284-Y517 HydrophobicContact CB-CE1 4.13Å; D284-Y517 HydrophobicContact CB-CG 3.91Å
285	V	89.8	Confident	86	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.9	-177.1	174.1	0	0	0	0	113.8	I281 R287 L512 W519 W520 I584 Y588	I281-V285 HydrophobicContact CB-CG2 4.1Å; I281-V285 HydrophobicContact CD1-CG2 3.76Å; I281-V285 HydrophobicContact CG1-CG2 3.66Å; I281-V285 WeakPolarHBondContact O-CG2 3.28Å; I281-V285 PolarHBondContact O-N 2.91Å; V285-R287 VanDerWaalsContact C-N 3.31Å; V285-L512 HydrophobicContact CG1-CD2 4.45Å; V285-L512 HydrophobicContact CG2-CD2 4.16Å; V285-W519 PolarHBondContact O-NE1 3.27Å; V285-W520 PolarHBondContact O-NE1 3.01Å; V285-I584 HydrophobicContact CG1-CG2 3.58Å; V285-Y588 HydrophobicContact CB-CE2 4.18Å; V285-Y588 HydrophobicContact CG1-CD2 4.29Å; V285-Y588 HydrophobicContact CG1-CE2 3.73Å; V285-Y588 HydrophobicContact CG2-CE1 4.26Å; V285-Y588 HydrophobicContact CG2-CE2 3.93Å; V285-Y588 WeakPolarHBondContact CG2-OH 3.39Å
286	F	92	Very high	88.1	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.018	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	11.6	-179.1	-62.4	-73.2	0	0	0	113.6	D284 F288 F429 A431 P432 C433 T435 I584 R585 Y588	D284-F286 VanDerWaalsContact C-N 3.29Å; D284-F286 PolarHBondContact O-N 3.45Å; F286-F288 PolarHBondContact O-N 3.46Å; F286-F429 HydrophobicContact CB-CE1 4.48Å; F286-F429 AromaticContact CD1-CE1 3.82Å; F286-F429 HydrophobicContact CD1-CE1 3.82Å; F286-F429 HydrophobicContact CD1-CZ 4.14Å; F286-F429 HydrophobicContact CG-CE1 4.49Å; F286-A431 HydrophobicContact CB-CB 3.98Å; F286-A431 HydrophobicContact CD1-CB 4.33Å; F286-A431 HydrophobicContact CD2-CB 4.33Å; F286-A431 HydrophobicContact CG-CB 3.94Å; F286-P432 HydrophobicContact CE2-CB 4.36Å; F286-P432 HydrophobicContact CE2-CG 4.11Å; F286-P432 HydrophobicContact CZ-CG 3.79Å; F286-C433 HydrophobicContact CD2-CB 4.43Å; F286-T435 HydrophobicContact CB-CG2 4.08Å; F286-I584 HydrophobicContact CE1-CG2 3.68Å; F286-I584 HydrophobicContact CZ-CG2 3.56Å; F286-R585 HydrophobicContact CE1-CG 4.4Å; F286-Y588 HydrophobicContact CE2-CD2 4.16Å; F286-Y588 HydrophobicContact CE2-CG 4.13Å; F286-Y588 HydrophobicContact CZ-CD2 4.14Å; F286-Y588 HydrophobicContact CZ-CG 4.42Å
287	R	91.6	Very high	89.9	Confident	66 Å²	66	32.6 Å²	32.6	25%	0.249	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-63.2	124.2	174.4	-173.6	178.3	-67.6	-102	-5.4	109.5	D284 V285 R436 N437 I438 P439 W520	D284-R287 WeakPolarHBondContact O-CB 3.36Å; D284-R287 PolarHBondContact O-N 3.24Å; D284-R287 IonicContact OD1-CZ 2.82Å; D284-R287 IonicContact OD1-NE 2.73Å; D284-R287 PolarHBondContact OD1-NE 2.93Å; D284-R287 IonicContact OD1-NH2 2.78Å; D284-R287 PolarHBondContact OD1-NH2 3.42Å; V285-R287 VanDerWaalsContact C-N 3.31Å; R287-R436 PolarHBondContact NH2-O 3.4Å; R287-N437 PolarHBondContact NH1-O 2.96Å; R287-I438 PolarHBondContact NH2-O 3.46Å; R287-P439 VanDerWaalsContact NH2-CA 3.34Å; R287-W520 PolarHBondContact O-NE1 2.93Å
288	F	92.9	Very high	91.1	Very high	62 Å²	62	33.4 Å²	33.4	27%	0.272	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-64.1	139.5	-176.4	-59.8	-46	0	0	0	111.9	F286 I355 N356 F429 W520	F286-F288 PolarHBondContact O-N 3.46Å; F288-I355 HydrophobicContact CD1-CB 3.76Å; F288-I355 HydrophobicContact CD1-CG2 3.79Å; F288-I355 HydrophobicContact CE1-CB 3.9Å; F288-I355 HydrophobicContact CE1-CG2 3.78Å; F288-I355 HydrophobicContact CG-CB 4.16Å; F288-I355 HydrophobicContact CZ-CB 4.39Å; F288-N356 HydrophobicContact CE2-CB 4.43Å; F288-F429 HydrophobicContact CE1-CB 4.43Å; F288-F429 AromaticContact CE1-CD1 3.99Å; F288-F429 HydrophobicContact CE1-CD1 3.99Å; F288-F429 HydrophobicContact CE1-CE1 4.42Å; F288-F429 HydrophobicContact CE1-CG 4.14Å; F288-F429 HydrophobicContact CZ-CB 4.41Å; F288-F429 HydrophobicContact CZ-CD1 4.45Å; F288-W520 HydrophobicContact CD1-CH2 4.14Å; F288-W520 HydrophobicContact CD1-CZ2 4.26Å
289	P	93	Very high	91.9	Very high	10 Å²	10	33 Å²	33	7%	0.065	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-76.5	160.5	-173.5	30.8	-35	0	0	0	112.5	K292 L295 W520	P289-K292 VanDerWaalsContact O-CG 3.28Å; P289-K292 WeakPolarHBondContact O-CG 3.25Å; P289-L295 HydrophobicContact CG-CD2 3.65Å; P289-W520 HydrophobicContact CB-CB 3.74Å; P289-W520 HydrophobicContact CB-CD2 4.4Å; P289-W520 HydrophobicContact CB-CG 3.91Å; P289-W520 HydrophobicContact CG-CB 3.83Å; P289-W520 HydrophobicContact CG-CD2 3.78Å; P289-W520 HydrophobicContact CG-CE3 3.8Å; P289-W520 HydrophobicContact CG-CG 3.8Å
290	P	91.4	Very high	92.7	Very high	87 Å²	87	31.2 Å²	31.2	57%	0.565	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	158.6	165.3	30.4	-35.3	0	0	0	110.5	K292 W521	P290-K292 VanDerWaalsContact C-N 3.34Å; P290-K292 PolarHBondContact O-N 3.44Å; P290-W521 PolarHBondContact O-NE1 2.94Å
291	F	94.6	Very high	93.4	Very high	160 Å²	160	29.5 Å²	29.5	70%	0.702	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	42	179	-51.1	-70.9	0	0	0	114.7	S293 L294 L295 W521	F291-S293 PolarHBondContact O-N 3.46Å; F291-L294 HydrophobicContact CB-CB 4.36Å; F291-L294 PolarHBondContact O-N 2.94Å; F291-L295 PolarHBondContact O-N 3.04Å; F291-W521 HydrophobicContact CB-CZ2 3.89Å
292	K	95.2	Very high	94	Very high	58 Å²	58	29.5 Å²	29.5	25%	0.252	15%	0.146	S	C	.	.	H	α-helix	trans	-42.8	-41.4	178.1	-61.3	-176.3	-172.7	-171.8	0	114.2	P289 P290 L295 C296 Y352 I355	P289-K292 VanDerWaalsContact O-CG 3.28Å; P289-K292 WeakPolarHBondContact O-CG 3.25Å; P290-K292 VanDerWaalsContact C-N 3.34Å; P290-K292 PolarHBondContact O-N 3.44Å; K292-L295 PolarHBondContact O-N 2.86Å; K292-C296 PolarHBondContact O-N 2.94Å; K292-C296 PolarHBondContact O-SG 3.29Å; K292-Y352 HydrophobicContact CB-CD2 4.31Å; K292-Y352 HydrophobicContact CB-CE2 4.04Å; K292-I355 HydrophobicContact CB-CD1 3.69Å; K292-I355 HydrophobicContact CB-CG1 4.38Å; K292-I355 HydrophobicContact CD-CD1 4.13Å; K292-I355 HydrophobicContact CD-CG1 4.13Å; K292-I355 HydrophobicContact CG-CD1 3.9Å; K292-I355 HydrophobicContact CG-CG1 4.45Å; K292-I355 PolarHBondContact NZ-O 3.47Å
293	S	96.2	Very high	94.6	Very high	27 Å²	27	28.4 Å²	28.4	19%	0.189	14%	0.143	C	C	.	.	H	α-helix	trans	-67	-42.8	-178.2	-173.1	0	0	0	0	112.7	F291 L295 C296 A297 N363	F291-S293 PolarHBondContact O-N 3.46Å; S293-L295 VanDerWaalsContact C-N 3.35Å; S293-C296 PolarHBondContact O-N 3.01Å; S293-A297 VanDerWaalsContact O-CB 3.29Å; S293-A297 WeakPolarHBondContact O-CB 3.28Å; S293-A297 PolarHBondContact O-N 3.5Å; S293-N363 VanDerWaalsContact CA-OD1 3.22Å; S293-N363 WeakPolarHBondContact CA-OD1 3.45Å; S293-N363 PolarHBondContact O-OD1 3.46Å; S293-N363 VanDerWaalsContact OG-CA 3.3Å; S293-N363 WeakPolarHBondContact OG-CA 3.33Å; S293-N363 WeakPolarHBondContact OG-CB 3.15Å; S293-N363 PolarHBondContact OG-OD1 3.47Å
294	L	97.3	Very high	95.3	Very high	66 Å²	66	27.9 Å²	27.9	35%	0.346	14%	0.14	S	C	.	.	H	α-helix	trans	-65.5	-41.7	177.9	-179.2	64.7	0	0	0	111.1	F291 A297 I298 L366 L370 W521	F291-L294 HydrophobicContact CB-CB 4.36Å; F291-L294 PolarHBondContact O-N 2.94Å; L294-A297 PolarHBondContact O-N 3.16Å; L294-I298 HydrophobicContact CD1-CD1 4.31Å; L294-I298 HydrophobicContact CD1-CG1 4.48Å; L294-I298 HydrophobicContact CG-CD1 4.02Å; L294-I298 WeakPolarHBondContact O-CG1 3.04Å; L294-I298 PolarHBondContact O-N 3.41Å; L294-L366 HydrophobicContact CB-CD2 4.22Å; L294-L366 HydrophobicContact CD1-CD2 4.25Å; L294-L370 HydrophobicContact CD1-CD1 4.14Å; L294-W521 HydrophobicContact CB-CH2 3.97Å; L294-W521 HydrophobicContact CB-CZ2 4.48Å; L294-W521 HydrophobicContact CD2-CH2 3.83Å; L294-W521 HydrophobicContact CD2-CZ3 4.45Å; L294-W521 HydrophobicContact CG-CH2 3.8Å
295	L	97.5	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-52.2	176.4	-177.1	68.4	0	0	0	110.7	P289 F291 K292 S293 A297 I298 L299 W520 W521 V524 F577	P289-L295 HydrophobicContact CG-CD2 3.65Å; F291-L295 PolarHBondContact O-N 3.04Å; K292-L295 PolarHBondContact O-N 2.86Å; S293-L295 VanDerWaalsContact C-N 3.35Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.06Å; L295-I298 PolarHBondContact O-N 3.06Å; L295-L299 HydrophobicContact CG-CD1 4.29Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.19Å; L295-L299 PolarHBondContact O-N 2.8Å; L295-W520 HydrophobicContact CD2-CE3 3.94Å; L295-W521 HydrophobicContact CB-CH2 3.83Å; L295-W521 HydrophobicContact CB-CZ2 3.73Å; L295-W521 HydrophobicContact CD1-CD2 4.44Å; L295-W521 HydrophobicContact CD1-CE3 4.27Å; L295-W521 HydrophobicContact CD1-CH2 4.29Å; L295-W521 HydrophobicContact CD1-CZ2 4.45Å; L295-W521 HydrophobicContact CD1-CZ3 4.2Å; L295-V524 HydrophobicContact CD1-CG2 3.62Å; L295-F577 HydrophobicContact CD2-CE2 4.23Å; L295-F577 HydrophobicContact CD2-CZ 4.48Å
296	C	97.4	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-38.2	179.6	-65	0	0	0	0	112.8	K292 S293 L299 G300 S348 Y352	K292-C296 PolarHBondContact O-N 2.94Å; K292-C296 PolarHBondContact O-SG 3.29Å; S293-C296 PolarHBondContact O-N 3.01Å; C296-L299 PolarHBondContact O-N 2.66Å; C296-G300 PolarHBondContact O-N 2.89Å; C296-S348 WeakPolarHBondContact CB-O 3.37Å; C296-S348 WeakPolarHBondContact O-CA 3.36Å; C296-S348 WeakPolarHBondContact O-CB 3.39Å; C296-S348 PolarHBondContact O-OG 3.27Å; C296-Y352 HydrophobicContact CB-CD2 4.33Å; C296-Y352 WeakPolarHBondContact SG-CA 3.42Å; C296-Y352 PolarHBondContact SG-N 3.42Å; C296-Y352 VanDerWaalsContact SG-N 3.43Å
297	A	98.1	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-45.8	174.1	0	0	0	0	0	111.9	S293 L294 L295 L299 G300 V301 L366 T367 L370	S293-A297 VanDerWaalsContact O-CB 3.29Å; S293-A297 WeakPolarHBondContact O-CB 3.28Å; S293-A297 PolarHBondContact O-N 3.5Å; L294-A297 PolarHBondContact O-N 3.16Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.06Å; A297-L299 VanDerWaalsContact C-N 3.35Å; A297-L299 PolarHBondContact O-N 3.14Å; A297-G300 PolarHBondContact O-N 3.39Å; A297-V301 WeakPolarHBondContact O-CG2 2.98Å; A297-V301 PolarHBondContact O-N 3.35Å; A297-L366 HydrophobicContact CB-CB 4.49Å; A297-L366 HydrophobicContact CB-CD2 4.07Å; A297-L366 HydrophobicContact CB-CG 3.91Å; A297-T367 WeakPolarHBondContact CA-OG1 3.31Å; A297-L370 HydrophobicContact CB-CD2 4.18Å
298	I	98.3	Very high	96.4	Very high	21 Å²	21	30.9 Å²	30.9	11%	0.108	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-47.2	175.2	-70.2	163.8	0	0	0	110.6	L294 L295 G300 V301 G302 L370 W521 V524 L570 S574	L294-I298 HydrophobicContact CD1-CD1 4.31Å; L294-I298 HydrophobicContact CD1-CG1 4.48Å; L294-I298 HydrophobicContact CG-CD1 4.02Å; L294-I298 WeakPolarHBondContact O-CG1 3.04Å; L294-I298 PolarHBondContact O-N 3.41Å; L295-I298 PolarHBondContact O-N 3.06Å; I298-G300 VanDerWaalsContact C-N 3.35Å; I298-G300 PolarHBondContact O-N 2.66Å; I298-V301 PolarHBondContact O-N 2.91Å; I298-G302 PolarHBondContact O-N 3.03Å; I298-L370 HydrophobicContact CB-CD2 4.38Å; I298-L370 HydrophobicContact CG1-CD2 3.76Å; I298-W521 HydrophobicContact CD1-CH2 4.2Å; I298-W521 HydrophobicContact CD1-CZ3 3.79Å; I298-V524 HydrophobicContact CG2-CG1 3.96Å; I298-L570 HydrophobicContact CB-CD2 4.23Å; I298-L570 HydrophobicContact CG1-CD2 3.93Å; I298-L570 HydrophobicContact CG2-CD2 3.88Å; I298-S574 PolarHBondContact O-OG 3.27Å
299	L	98.1	Very high	96.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-38.3	179.8	-63.3	177.8	0	0	0	112.8	L295 C296 A297 A303 F351 S574 F577	L295-L299 HydrophobicContact CG-CD1 4.29Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.19Å; L295-L299 PolarHBondContact O-N 2.8Å; C296-L299 PolarHBondContact O-N 2.66Å; A297-L299 VanDerWaalsContact C-N 3.35Å; A297-L299 PolarHBondContact O-N 3.14Å; L299-A303 VanDerWaalsContact O-CB 3.27Å; L299-A303 WeakPolarHBondContact O-CB 3.34Å; L299-A303 PolarHBondContact O-N 3.22Å; L299-F351 HydrophobicContact CD1-CD1 3.75Å; L299-F351 HydrophobicContact CD1-CE1 3.92Å; L299-S574 WeakPolarHBondContact CA-OG 3.46Å; L299-F577 HydrophobicContact CD1-CD1 3.47Å; L299-F577 VanDerWaalsContact CD1-CD1 3.47Å; L299-F577 HydrophobicContact CD1-CE1 3.42Å; L299-F577 VanDerWaalsContact CD1-CE1 3.42Å; L299-F577 HydrophobicContact CD1-CG 4.14Å; L299-F577 HydrophobicContact CD1-CZ 4.06Å; L299-F577 HydrophobicContact CD2-CB 3.63Å; L299-F577 HydrophobicContact CD2-CD1 3.5Å; L299-F577 HydrophobicContact CD2-CE1 4.34Å; L299-F577 HydrophobicContact CD2-CG 3.63Å; L299-F577 HydrophobicContact CG-CD1 4.13Å; L299-F577 HydrophobicContact CG-CG 4.5Å
300	G	97.9	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-53.8	175.3	0	0	0	0	0	111.9	C296 A297 I298 G302 A303 Q304 S344	C296-G300 PolarHBondContact O-N 2.89Å; A297-G300 PolarHBondContact O-N 3.39Å; I298-G300 VanDerWaalsContact C-N 3.35Å; I298-G300 PolarHBondContact O-N 2.66Å; G300-G302 VanDerWaalsContact C-N 3.35Å; G300-G302 PolarHBondContact O-N 3.01Å; G300-A303 PolarHBondContact O-N 3.21Å; G300-Q304 PolarHBondContact O-N 3.31Å; G300-S344 VanDerWaalsContact C-OG 3.28Å; G300-S344 WeakPolarHBondContact CA-O 3.4Å; G300-S344 WeakPolarHBondContact O-CA 3.48Å; G300-S344 PolarHBondContact O-OG 3.01Å
301	V	98.2	Very high	96.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-39.5	-178.2	178.4	0	0	0	0	111.5	A297 I298 A303 Q304 F305 S344 T367 L370 F371 L570	A297-V301 WeakPolarHBondContact O-CG2 2.98Å; A297-V301 PolarHBondContact O-N 3.35Å; I298-V301 PolarHBondContact O-N 2.91Å; V301-A303 PolarHBondContact O-N 2.98Å; V301-Q304 WeakPolarHBondContact O-CB 3.43Å; V301-Q304 PolarHBondContact O-N 3.36Å; V301-F305 HydrophobicContact CG1-CD2 3.71Å; V301-F305 HydrophobicContact CG1-CE2 3.42Å; V301-F305 VanDerWaalsContact CG1-CE2 3.42Å; V301-F305 HydrophobicContact CG1-CZ 4.46Å; V301-F305 VanDerWaalsContact O-CD2 3.29Å; V301-F305 WeakPolarHBondContact O-CD2 3.49Å; V301-F305 PolarHBondContact O-N 3.4Å; V301-S344 PolarHBondContact N-OG 3.42Å; V301-T367 HydrophobicContact CG2-CG2 4.03Å; V301-T367 WeakPolarHBondContact CG2-O 3.31Å; V301-L370 HydrophobicContact CB-CD2 4.38Å; V301-L370 HydrophobicContact CG2-CB 4.27Å; V301-L370 HydrophobicContact CG2-CD2 4.14Å; V301-F371 HydrophobicContact CG1-CB 4.06Å; V301-L570 HydrophobicContact CB-CD1 4.4Å; V301-L570 HydrophobicContact CG1-CD1 3.67Å
302	G	97.8	Very high	96.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-36.6	174.9	0	0	0	0	0	113.3	I298 G300 F305 L306 L570 S574	I298-G302 PolarHBondContact O-N 3.03Å; G300-G302 VanDerWaalsContact C-N 3.35Å; G300-G302 PolarHBondContact O-N 3.01Å; G302-F305 PolarHBondContact O-N 3Å; G302-L306 WeakPolarHBondContact O-CB 3.27Å; G302-L306 PolarHBondContact O-N 3.49Å; G302-L570 WeakPolarHBondContact CA-O 3.15Å; G302-S574 WeakPolarHBondContact CA-OG 3.38Å
303	A	98	Very high	95.8	Very high	16 Å²	16	21.3 Å²	21.3	13%	0.132	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-40.1	171.8	0	0	0	0	0	112.1	L299 G300 V301 L306 T307 V343 V347	L299-A303 VanDerWaalsContact O-CB 3.27Å; L299-A303 WeakPolarHBondContact O-CB 3.34Å; L299-A303 PolarHBondContact O-N 3.22Å; G300-A303 PolarHBondContact O-N 3.21Å; V301-A303 PolarHBondContact O-N 2.98Å; A303-L306 PolarHBondContact O-N 3.46Å; A303-T307 WeakPolarHBondContact O-CG2 3.35Å; A303-T307 PolarHBondContact O-N 3.46Å; A303-T307 PolarHBondContact O-OG1 3.49Å; A303-V343 HydrophobicContact CB-CG1 4.39Å; A303-V347 HydrophobicContact CB-CB 4.27Å; A303-V347 HydrophobicContact CB-CG1 4.15Å; A303-V347 HydrophobicContact CB-CG2 3.96Å
304	Q	97.5	Very high	95.5	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-58.6	-50.5	172.8	174.4	-175.9	5.6	0	0	111.2	G300 V301 L306 T307 L308 Y337 S344	G300-Q304 PolarHBondContact O-N 3.31Å; V301-Q304 WeakPolarHBondContact O-CB 3.43Å; V301-Q304 PolarHBondContact O-N 3.36Å; Q304-L306 VanDerWaalsContact C-N 3.31Å; Q304-L306 PolarHBondContact O-N 3.02Å; Q304-T307 PolarHBondContact O-N 3.14Å; Q304-T307 VanDerWaalsContact O-N 3.15Å; Q304-T307 PolarHBondContact O-OG1 2.87Å; Q304-L308 WeakPolarHBondContact O-CB 3.34Å; Q304-L308 PolarHBondContact O-N 3.06Å; Q304-Y337 PolarHBondContact NE2-O 3.27Å; Q304-S344 VanDerWaalsContact OE1-CB 3.3Å
305	F	97.3	Very high	94.9	Very high	14 Å²	14	21.6 Å²	21.6	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-37.7	178.5	-77.3	-55.8	0	0	0	113.2	V301 G302 T307 L308 A309 Y337 F371 V567 L570 M571	V301-F305 HydrophobicContact CG1-CD2 3.71Å; V301-F305 HydrophobicContact CG1-CE2 3.42Å; V301-F305 VanDerWaalsContact CG1-CE2 3.42Å; V301-F305 HydrophobicContact CG1-CZ 4.46Å; V301-F305 VanDerWaalsContact O-CD2 3.29Å; V301-F305 WeakPolarHBondContact O-CD2 3.49Å; V301-F305 PolarHBondContact O-N 3.4Å; G302-F305 PolarHBondContact O-N 3Å; F305-T307 VanDerWaalsContact C-N 3.35Å; F305-T307 PolarHBondContact O-N 3.43Å; F305-L308 HydrophobicContact CD1-CD2 4.19Å; F305-L308 HydrophobicContact CE1-CD2 4.44Å; F305-L308 PolarHBondContact O-N 2.89Å; F305-A309 VanDerWaalsContact O-CB 3.31Å; F305-A309 WeakPolarHBondContact O-CB 3.25Å; F305-A309 PolarHBondContact O-N 3.07Å; F305-Y337 HydrophobicContact CE1-CD2 4.36Å; F305-Y337 HydrophobicContact CE1-CE2 4Å; F305-Y337 HydrophobicContact CZ-CE2 4.18Å; F305-F371 HydrophobicContact CE1-CE1 4.26Å; F305-F371 HydrophobicContact CE1-CZ 4.29Å; F305-F371 HydrophobicContact CE2-CB 4.18Å; F305-F371 HydrophobicContact CE2-CD1 4.34Å; F305-F371 AromaticContact CE2-CD2 3.84Å; F305-F371 HydrophobicContact CE2-CD2 3.84Å; F305-F371 HydrophobicContact CE2-CE2 4.31Å; F305-F371 AromaticContact CE2-CG 3.85Å; F305-F371 HydrophobicContact CE2-CG 3.85Å; F305-F371 HydrophobicContact CZ-CB 4.25Å; F305-F371 AromaticContact CZ-CD1 3.58Å; F305-F371 HydrophobicContact CZ-CD1 3.58Å; F305-F371 AromaticContact CZ-CD2 3.59Å; F305-F371 HydrophobicContact CZ-CD2 3.59Å; F305-F371 AromaticContact CZ-CE1 3.65Å; F305-F371 HydrophobicContact CZ-CE1 3.65Å; F305-F371 AromaticContact CZ-CE2 3.7Å; F305-F371 HydrophobicContact CZ-CE2 3.7Å; F305-F371 AromaticContact CZ-CG 3.51Å; F305-F371 HydrophobicContact CZ-CG 3.51Å; F305-F371 AromaticContact CZ-CZ 3.72Å; F305-F371 HydrophobicContact CZ-CZ 3.72Å; F305-V567 HydrophobicContact CB-CG1 4.17Å; F305-V567 HydrophobicContact CD1-CG1 3.82Å; F305-V567 HydrophobicContact CD1-CG2 4.31Å; F305-V567 HydrophobicContact CD2-CG1 4.15Å; F305-V567 HydrophobicContact CD2-CG2 4.45Å; F305-V567 HydrophobicContact CE1-CG1 4.24Å; F305-V567 HydrophobicContact CE1-CG2 3.88Å; F305-V567 HydrophobicContact CE2-CG2 4.01Å; F305-V567 HydrophobicContact CG-CG1 3.8Å; F305-V567 HydrophobicContact CZ-CG2 3.73Å; F305-L570 HydrophobicContact CE2-CD1 4.26Å; F305-M571 HydrophobicContact CB-CB 4.34Å
306	L	96.6	Very high	94.2	Very high	51 Å²	51	22 Å²	22	27%	0.267	13%	0.132	S	C	.	.	H	α-helix	trans	-59.8	-46.2	173.4	-171.2	72.4	0	0	0	111.2	G302 A303 Q304 T310 F493 L497 M571 V575	G302-L306 WeakPolarHBondContact O-CB 3.27Å; G302-L306 PolarHBondContact O-N 3.49Å; A303-L306 PolarHBondContact O-N 3.46Å; Q304-L306 VanDerWaalsContact C-N 3.31Å; Q304-L306 PolarHBondContact O-N 3.02Å; L306-T310 WeakPolarHBondContact O-CB 3.45Å; L306-T310 PolarHBondContact O-N 2.86Å; L306-T310 PolarHBondContact O-OG1 3.38Å; L306-F493 HydrophobicContact CD1-CZ 3.9Å; L306-L497 HydrophobicContact CD1-CD1 3.76Å; L306-L497 HydrophobicContact CD1-CD2 3.6Å; L306-L497 HydrophobicContact CD1-CG 4.35Å; L306-M571 HydrophobicContact CB-CG 4.21Å; L306-M571 HydrophobicContact CD1-CG 4.07Å; L306-M571 HydrophobicContact CD1-SD 4.22Å; L306-V575 HydrophobicContact CD1-CG2 4.17Å; L306-V575 HydrophobicContact CD2-CG2 4.35Å
307	T	96.2	Very high	93.6	Very high	50 Å²	50	25.6 Å²	25.6	31%	0.307	15%	0.151	S	C	.	.	H	α-helix	trans	-66.3	-39.1	176.9	57.4	0	0	0	0	112.8	A303 Q304 F305 A311 V343	A303-T307 WeakPolarHBondContact O-CG2 3.35Å; A303-T307 PolarHBondContact O-N 3.46Å; A303-T307 PolarHBondContact O-OG1 3.49Å; Q304-T307 PolarHBondContact O-N 3.14Å; Q304-T307 VanDerWaalsContact O-N 3.15Å; Q304-T307 PolarHBondContact O-OG1 2.87Å; F305-T307 VanDerWaalsContact C-N 3.35Å; F305-T307 PolarHBondContact O-N 3.43Å; T307-A311 VanDerWaalsContact O-CB 3.27Å; T307-A311 WeakPolarHBondContact O-CB 3.4Å; T307-A311 PolarHBondContact O-N 3.12Å; T307-V343 HydrophobicContact CG2-CG1 4.06Å; T307-V343 HydrophobicContact CG2-CG2 4.44Å
308	L	94.8	Very high	92.9	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.099	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-50.6	178.4	178.8	62.9	0	0	0	111.5	Q304 F305 T310 A311 I312 L336 Y337	Q304-L308 WeakPolarHBondContact O-CB 3.34Å; Q304-L308 PolarHBondContact O-N 3.06Å; F305-L308 HydrophobicContact CD1-CD2 4.19Å; F305-L308 HydrophobicContact CE1-CD2 4.44Å; F305-L308 PolarHBondContact O-N 2.89Å; L308-T310 VanDerWaalsContact C-N 3.35Å; L308-T310 PolarHBondContact O-N 3.32Å; L308-A311 PolarHBondContact O-N 3.4Å; L308-I312 HydrophobicContact CD1-CD1 3.82Å; L308-I312 HydrophobicContact CD1-CG1 4.24Å; L308-I312 HydrophobicContact CG-CD1 3.9Å; L308-I312 WeakPolarHBondContact O-CG1 3.27Å; L308-I312 PolarHBondContact O-N 3.15Å; L308-L336 HydrophobicContact CD1-CB 3.47Å; L308-L336 VanDerWaalsContact CD1-CB 3.47Å; L308-Y337 HydrophobicContact CD2-CD2 3.88Å
309	A	93.3	Very high	91.8	Very high	27 Å²	27	33.5 Å²	33.5	22%	0.223	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-46.1	178.4	0	0	0	0	0	111.1	F305 A311 I312 I313 F493	F305-A309 VanDerWaalsContact O-CB 3.31Å; F305-A309 WeakPolarHBondContact O-CB 3.25Å; F305-A309 PolarHBondContact O-N 3.07Å; A309-A311 PolarHBondContact O-N 2.79Å; A309-I312 PolarHBondContact O-N 3.03Å; A309-I313 VanDerWaalsContact O-CG1 3.28Å; A309-I313 WeakPolarHBondContact O-CG1 3.15Å; A309-I313 PolarHBondContact O-N 2.69Å; A309-F493 HydrophobicContact CB-CE2 3.91Å; A309-F493 HydrophobicContact CB-CZ 3.8Å
310	T	93.2	Very high	90.6	Very high	56 Å²	56	36 Å²	36	34%	0.344	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-45.4	176.2	-53.2	0	0	0	0	111.4	L306 L308 I313 V314	L306-T310 WeakPolarHBondContact O-CB 3.45Å; L306-T310 PolarHBondContact O-N 2.86Å; L306-T310 PolarHBondContact O-OG1 3.38Å; L308-T310 VanDerWaalsContact C-N 3.35Å; L308-T310 PolarHBondContact O-N 3.32Å; T310-I313 PolarHBondContact O-N 2.9Å; T310-V314 HydrophobicContact CG2-CG2 4.44Å; T310-V314 WeakPolarHBondContact O-CB 3.32Å; T310-V314 VanDerWaalsContact O-CG2 3.25Å; T310-V314 WeakPolarHBondContact O-CG2 3.45Å; T310-V314 PolarHBondContact O-N 3.48Å
311	A	91.7	Very high	89.2	Confident	30 Å²	30	37 Å²	37	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-48.7	179.6	0	0	0	0	0	111.7	T307 L308 A309 I313 V314 M315	T307-A311 VanDerWaalsContact O-CB 3.27Å; T307-A311 WeakPolarHBondContact O-CB 3.4Å; T307-A311 PolarHBondContact O-N 3.12Å; L308-A311 PolarHBondContact O-N 3.4Å; A309-A311 PolarHBondContact O-N 2.79Å; A311-I313 PolarHBondContact O-N 3.1Å; A311-V314 PolarHBondContact O-N 3.04Å; A311-M315 HydrophobicContact CB-CE 4.35Å; A311-M315 WeakPolarHBondContact O-CE 3.08Å; A311-M315 WeakPolarHBondContact O-CG 3.39Å; A311-M315 PolarHBondContact O-N 2.99Å
312	I	88.9	Confident	87.5	Confident	50 Å²	50	40.6 Å²	40.6	26%	0.256	24%	0.243	S	C	.	.	H	α-helix	trans	-58.5	-48	179.6	-68.9	170.2	0	0	0	110.8	L308 A309 V314 M315 A316 A333 L336	L308-I312 HydrophobicContact CD1-CD1 3.82Å; L308-I312 HydrophobicContact CD1-CG1 4.24Å; L308-I312 HydrophobicContact CG-CD1 3.9Å; L308-I312 WeakPolarHBondContact O-CG1 3.27Å; L308-I312 PolarHBondContact O-N 3.15Å; A309-I312 PolarHBondContact O-N 3.03Å; I312-V314 PolarHBondContact O-N 2.82Å; I312-M315 PolarHBondContact O-N 3.48Å; I312-A316 WeakPolarHBondContact O-CB 3.28Å; I312-A316 PolarHBondContact O-N 3.37Å; I312-A333 HydrophobicContact CD1-CB 4.36Å; I312-L336 HydrophobicContact CG1-CD1 3.89Å
313	I	88.4	Confident	85.7	Confident	14 Å²	14	41.9 Å²	41.9	7%	0.072	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-44.3	179.6	-65.6	168.2	0	0	0	110.8	A309 T310 A311 M315 A316 L317 L489 L490 F493	A309-I313 VanDerWaalsContact O-CG1 3.28Å; A309-I313 WeakPolarHBondContact O-CG1 3.15Å; A309-I313 PolarHBondContact O-N 2.69Å; T310-I313 PolarHBondContact O-N 2.9Å; A311-I313 PolarHBondContact O-N 3.1Å; I313-M315 PolarHBondContact O-N 2.94Å; I313-A316 PolarHBondContact O-N 2.96Å; I313-L317 HydrophobicContact CG2-CD1 4.09Å; I313-L317 HydrophobicContact CG2-CG 4.5Å; I313-L317 WeakPolarHBondContact O-CG 3.31Å; I313-L317 PolarHBondContact O-N 3.03Å; I313-L489 HydrophobicContact CD1-CG 4.38Å; I313-L489 HydrophobicContact CG1-CD2 4.2Å; I313-L489 HydrophobicContact CG1-CG 4.48Å; I313-L490 HydrophobicContact CG2-CB 3.72Å; I313-L490 HydrophobicContact CG2-CD1 3.76Å; I313-L490 HydrophobicContact CG2-CG 4.28Å; I313-F493 HydrophobicContact CD1-CB 4.03Å; I313-F493 HydrophobicContact CD1-CD1 4Å; I313-F493 HydrophobicContact CD1-CD2 4.42Å; I313-F493 HydrophobicContact CD1-CG 3.91Å
314	V	88.8	Confident	83.7	Confident	65 Å²	65	43.7 Å²	43.7	39%	0.394	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-42.8	178.7	169.9	0	0	0	0	111.6	T310 A311 I312 A316 L317 L318	T310-V314 HydrophobicContact CG2-CG2 4.44Å; T310-V314 WeakPolarHBondContact O-CB 3.32Å; T310-V314 VanDerWaalsContact O-CG2 3.25Å; T310-V314 WeakPolarHBondContact O-CG2 3.45Å; T310-V314 PolarHBondContact O-N 3.48Å; A311-V314 PolarHBondContact O-N 3.04Å; I312-V314 PolarHBondContact O-N 2.82Å; V314-A316 VanDerWaalsContact C-N 3.34Å; V314-A316 PolarHBondContact O-N 3.31Å; V314-L317 PolarHBondContact O-N 3.39Å; V314-L318 HydrophobicContact CG1-CD1 4.15Å; V314-L318 VanDerWaalsContact O-CG 3.32Å; V314-L318 WeakPolarHBondContact O-CG 3.38Å; V314-L318 PolarHBondContact O-N 3.32Å
315	M	85.9	Confident	82.1	Confident	34 Å²	34	48.8 Å²	48.8	17%	0.167	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-36.6	177.1	-70.2	-177.3	-66.5	0	0	112.3	A311 I312 I313 L318 G319 M320 F321 L336	A311-M315 HydrophobicContact CB-CE 4.35Å; A311-M315 WeakPolarHBondContact O-CE 3.08Å; A311-M315 WeakPolarHBondContact O-CG 3.39Å; A311-M315 PolarHBondContact O-N 2.99Å; I312-M315 PolarHBondContact O-N 3.48Å; I313-M315 PolarHBondContact O-N 2.94Å; M315-L318 PolarHBondContact O-N 3.25Å; M315-G319 PolarHBondContact O-N 3.19Å; M315-M320 HydrophobicContact CB-CB 4.29Å; M315-M320 HydrophobicContact CB-SD 3.77Å; M315-M320 HydrophobicContact CG-CE 4.03Å; M315-M320 HydrophobicContact CG-SD 3.6Å; M315-M320 VanDerWaalsContact CG-SD 3.6Å; M315-M320 WeakPolarHBondContact O-CB 3.29Å; M315-M320 PolarHBondContact O-N 3.36Å; M315-M320 HydrophobicContact SD-CE 4.1Å; M315-M320 HydrophobicContact SD-SD 4.44Å; M315-F321 HydrophobicContact CB-CE2 3.79Å; M315-F321 HydrophobicContact CB-CZ 3.94Å; M315-F321 HydrophobicContact CE-CZ 4.11Å; M315-L336 HydrophobicContact CE-CD1 3.07Å; M315-L336 HydrophobicContact CE-CD2 3.66Å; M315-L336 HydrophobicContact CE-CG 3.95Å; M315-L336 HydrophobicContact SD-CD1 4.33Å; M315-L336 HydrophobicContact SD-CD2 4.25Å
316	A	82.1	Confident	80.2	Confident	8 Å²	8	49.9 Å²	49.9	7%	0.066	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-42.2	174.2	0	0	0	0	0	111.8	I312 I313 V314 L318 G319 F321 Y486	I312-A316 WeakPolarHBondContact O-CB 3.28Å; I312-A316 PolarHBondContact O-N 3.37Å; I313-A316 PolarHBondContact O-N 2.96Å; V314-A316 VanDerWaalsContact C-N 3.34Å; V314-A316 PolarHBondContact O-N 3.31Å; A316-L318 VanDerWaalsContact C-N 3.31Å; A316-L318 PolarHBondContact O-N 2.94Å; A316-G319 PolarHBondContact O-N 3.3Å; A316-F321 HydrophobicContact CB-CD2 3.84Å; A316-F321 HydrophobicContact CB-CE2 4.08Å; A316-Y486 HydrophobicContact CB-CD1 3.65Å; A316-Y486 HydrophobicContact CB-CD2 3.91Å; A316-Y486 HydrophobicContact CB-CE1 3.89Å; A316-Y486 HydrophobicContact CB-CE2 4.12Å; A316-Y486 HydrophobicContact CB-CG 3.67Å
317	L	83.9	Confident	78.7	Confident	76 Å²	76	47.8 Å²	47.8	40%	0.398	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-33.7	175.1	-73.9	171	0	0	0	113.5	I313 V314 G319 L490	I313-L317 HydrophobicContact CG2-CD1 4.09Å; I313-L317 HydrophobicContact CG2-CG 4.5Å; I313-L317 WeakPolarHBondContact O-CG 3.31Å; I313-L317 PolarHBondContact O-N 3.03Å; V314-L317 PolarHBondContact O-N 3.39Å; L317-G319 PolarHBondContact O-N 2.72Å; L317-L490 HydrophobicContact CD1-CB 4.15Å; L317-L490 HydrophobicContact CD1-CD2 3.56Å; L317-L490 HydrophobicContact CD1-CG 4.33Å
318	L	84.3	Confident	77.6	Confident	127 Å²	127	46 Å²	46	67%	0.665	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	1.3	174.8	-66.9	174.6	0	0	0	113.1	V314 M315 A316 M320	V314-L318 HydrophobicContact CG1-CD1 4.15Å; V314-L318 VanDerWaalsContact O-CG 3.32Å; V314-L318 WeakPolarHBondContact O-CG 3.38Å; V314-L318 PolarHBondContact O-N 3.32Å; M315-L318 PolarHBondContact O-N 3.25Å; A316-L318 VanDerWaalsContact C-N 3.31Å; A316-L318 PolarHBondContact O-N 2.94Å; L318-M320 VanDerWaalsContact C-N 3.27Å; L318-M320 HydrophobicContact CB-CG 4.01Å; L318-M320 HydrophobicContact CB-SD 4.16Å; L318-M320 HydrophobicContact CD1-SD 4.19Å; L318-M320 PolarHBondContact O-N 2.96Å
319	G	75.2	Confident	76.6	Confident	60 Å²	60	47.7 Å²	47.7	62%	0.619	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	24.6	-179.9	0	0	0	0	0	113.4	M315 A316 L317 F321	M315-G319 PolarHBondContact O-N 3.19Å; A316-G319 PolarHBondContact O-N 3.3Å; L317-G319 PolarHBondContact O-N 2.72Å; G319-F321 VanDerWaalsContact C-N 3.25Å; G319-F321 PolarHBondContact O-N 3.4Å
320	M	73.7	Confident	76	Confident	53 Å²	53	49.9 Å²	49.9	26%	0.261	28%	0.278	S	S	.	.			trans	-74.4	-16.5	-177.5	-65.8	172	67.2	0	0	113.1	I8 M315 L318	I8-M320 HydrophobicContact CD1-CE 4.19Å; I8-M320 HydrophobicContact CG2-CE 3.59Å; M315-M320 HydrophobicContact CB-CB 4.29Å; M315-M320 HydrophobicContact CB-SD 3.77Å; M315-M320 HydrophobicContact CG-CE 4.03Å; M315-M320 HydrophobicContact CG-SD 3.6Å; M315-M320 VanDerWaalsContact CG-SD 3.6Å; M315-M320 WeakPolarHBondContact O-CB 3.29Å; M315-M320 PolarHBondContact O-N 3.36Å; M315-M320 HydrophobicContact SD-CE 4.1Å; M315-M320 HydrophobicContact SD-SD 4.44Å; L318-M320 VanDerWaalsContact C-N 3.27Å; L318-M320 HydrophobicContact CB-CG 4.01Å; L318-M320 HydrophobicContact CB-SD 4.16Å; L318-M320 HydrophobicContact CD1-SD 4.19Å; L318-M320 PolarHBondContact O-N 2.96Å
321	F	68.1	Low	75.3	Confident	19 Å²	19	48.9 Å²	48.9	8%	0.083	27%	0.273	C	S	.	.			trans	-100.7	121.6	176.6	-58.1	-58.2	0	0	0	110.5	M315 A316 G319 V323 I329 A332	M315-F321 HydrophobicContact CB-CE2 3.79Å; M315-F321 HydrophobicContact CB-CZ 3.94Å; M315-F321 HydrophobicContact CE-CZ 4.11Å; A316-F321 HydrophobicContact CB-CD2 3.84Å; A316-F321 HydrophobicContact CB-CE2 4.08Å; G319-F321 VanDerWaalsContact C-N 3.25Å; G319-F321 PolarHBondContact O-N 3.4Å; F321-V323 PolarHBondContact O-N 2.84Å; F321-I329 HydrophobicContact CB-CD1 4.36Å; F321-I329 HydrophobicContact CB-CG1 3.98Å; F321-I329 HydrophobicContact CD1-CG1 4.06Å; F321-I329 HydrophobicContact CG-CG1 3.98Å; F321-A332 HydrophobicContact CE1-CB 3.55Å; F321-A332 HydrophobicContact CZ-CB 4.21Å
322	N	62.2	Low	74.8	Confident	79 Å²	79	48.1 Å²	48.1	42%	0.422	27%	0.267	S	S	.	.			trans	-82.4	102.5	164.3	-167.4	-16.1	0	0	0	107.8	H324 R325	N322-H324 PolarHBondContact O-N 3.15Å; N322-H324 VanDerWaalsContact O-N 3.08Å; N322-H324 PolarHBondContact OD1-N 3.49Å; N322-R325 HydrophobicContact CB-CB 4.28Å; N322-R325 PolarHBondContact O-N 2.96Å
323	V	59.4	Low	74.5	Confident	26 Å²	26	47.2 Å²	47.2	16%	0.158	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.9	-174.3	-178	0	0	0	0	112.5	F321 H482 Y486	F321-V323 PolarHBondContact O-N 2.84Å; V323-H482 HydrophobicContact CG1-CB 3.59Å; V323-Y486 VanDerWaalsContact CG2-OH 3.29Å; V323-Y486 WeakPolarHBondContact CG2-OH 3.29Å
324	H	56.1	Low	74.4	Confident	54 Å²	54	49.2 Å²	49.2	25%	0.25	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.3	-178.6	-57.2	-47.8	0	0	0	114.1	A211 L214 R215 N322	A211-H324 PolarHBondContact O-CD2 3.29Å; A211-H324 VanDerWaalsContact O-CD2 3.27Å; A211-H324 PolarHBondContact O-NE2 3.25Å; L214-H324 HydrophobicContact CB-CB 4.44Å; L214-H324 HydrophobicContact CD1-CB 4.22Å; R215-H324 VanDerWaalsContact CA-NE2 3.27Å; R215-H324 WeakPolarHBondContact CA-NE2 3.32Å; R215-H324 WeakPolarHBondContact CB-NE2 3.47Å; R215-H324 PolarHBondContact N-NE2 2.99Å; R215-H324 VanDerWaalsContact N-NE2 3.2Å; N322-H324 PolarHBondContact O-N 3.15Å; N322-H324 VanDerWaalsContact O-N 3.08Å; N322-H324 PolarHBondContact OD1-N 3.49Å
325	R	63.6	Low	74.2	Confident	112 Å²	112	50.3 Å²	50.3	42%	0.423	28%	0.284	S	S	.	.	S	Bend	trans	-90.1	112.1	171.6	-168.9	176.2	-176	-168.9	-2.4	108.7	L11 N322 G327 A328	L11-R325 PolarHBondContact O-NH1 3.24Å; N322-R325 HydrophobicContact CB-CB 4.28Å; N322-R325 PolarHBondContact O-N 2.96Å; R325-G327 PolarHBondContact O-N 3.06Å; R325-A328 HydrophobicContact CB-CB 4.34Å; R325-A328 HydrophobicContact CG-CB 4.5Å; R325-A328 PolarHBondContact O-N 2.86Å
326	H	58.3	Low	74.4	Confident	38 Å²	38	50 Å²	50	18%	0.176	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	129.9	177.7	-73.4	-103.3	0	0	0	111.3	E64 D69 E113 A328	E64-H326 HydrophobicContact CG-CB 3.87Å; D69-H326 IonicContact OD2-CG 3.09Å; D69-H326 IonicContact OD2-ND1 3.28Å; D69-H326 PolarHBondContact OD2-ND1 3.49Å; E113-H326 IonicContact OE1-CE1 2.96Å; E113-H326 PolarHBondContact OE1-CE1 3.43Å; H326-A328 VanDerWaalsContact C-N 3.29Å; H326-A328 PolarHBondContact O-N 3.33Å; H326-A328 VanDerWaalsContact O-N 3.13Å
327	G	65.7	Low	74.9	Confident	6 Å²	6	51.7 Å²	51.7	6%	0.062	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-1.9	169.8	0	0	0	0	0	118.5	G63 D67 R325 S331	G63-G327 VanDerWaalsContact C-CA 3.41Å; G63-G327 WeakPolarHBondContact CA-O 3.31Å; D67-G327 WeakPolarHBondContact OD2-CA 3.08Å; D67-G327 PolarHBondContact OD2-N 3.24Å; R325-G327 PolarHBondContact O-N 3.06Å; G327-S331 WeakPolarHBondContact O-CB 3.44Å; G327-S331 PolarHBondContact O-N 2.96Å; G327-S331 VanDerWaalsContact O-N 3.09Å; G327-S331 PolarHBondContact O-OG 2.91Å
328	A	71.3	Confident	75.2	Confident	12 Å²	12	48.8 Å²	48.8	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-40.9	-174.1	0	0	0	0	0	113	F12 R325 H326 A332	F12-A328 HydrophobicContact CE1-CB 4.29Å; R325-A328 HydrophobicContact CB-CB 4.34Å; R325-A328 HydrophobicContact CG-CB 4.5Å; R325-A328 PolarHBondContact O-N 2.86Å; H326-A328 VanDerWaalsContact C-N 3.29Å; H326-A328 PolarHBondContact O-N 3.33Å; H326-A328 VanDerWaalsContact O-N 3.13Å; A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 3.06Å; A328-A332 VanDerWaalsContact O-N 3.1Å
329	I	75.8	Confident	75.5	Confident	55 Å²	55	47.4 Å²	47.4	28%	0.282	27%	0.267	S	S	.	.	H	α-helix	trans	-67.1	-44.7	179.7	-62.9	174.6	0	0	0	110.4	F321 S331 A332 A333	F321-I329 HydrophobicContact CB-CD1 4.36Å; F321-I329 HydrophobicContact CB-CG1 3.98Å; F321-I329 HydrophobicContact CD1-CG1 4.06Å; F321-I329 HydrophobicContact CG-CG1 3.98Å; I329-S331 PolarHBondContact O-N 2.84Å; I329-A332 PolarHBondContact O-N 3.15Å; I329-A333 WeakPolarHBondContact O-CB 3.42Å; I329-A333 PolarHBondContact O-N 2.82Å
330	N	78.7	Confident	76.4	Confident	74 Å²	74	45.3 Å²	45.3	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-43.6	179.9	-73.8	-21.1	0	0	0	111.9	D67 A332 A333 I334	D67-N330 PolarHBondContact OD1-ND2 2.71Å; N330-A332 PolarHBondContact O-N 3.36Å; N330-A333 PolarHBondContact O-N 3.49Å; N330-I334 WeakPolarHBondContact O-CG1 3.38Å; N330-I334 PolarHBondContact O-N 3.49Å; N330-I334 VanDerWaalsContact O-N 3.15Å
331	S	78.8	Confident	77.4	Confident	35 Å²	35	42.9 Å²	42.9	25%	0.245	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-44	175.3	-58.7	0	0	0	0	112.1	G63 G327 I329 I334 V335	G63-S331 VanDerWaalsContact CA-OG 3.24Å; G63-S331 WeakPolarHBondContact CA-OG 3.35Å; G63-S331 PolarHBondContact N-OG 3.04Å; G327-S331 WeakPolarHBondContact O-CB 3.44Å; G327-S331 PolarHBondContact O-N 2.96Å; G327-S331 VanDerWaalsContact O-N 3.09Å; G327-S331 PolarHBondContact O-OG 2.91Å; I329-S331 PolarHBondContact O-N 2.84Å; S331-I334 PolarHBondContact O-N 3.1Å; S331-V335 WeakPolarHBondContact O-CG2 3.38Å; S331-V335 PolarHBondContact O-N 3.46Å
332	A	80.8	Confident	78.8	Confident	14 Å²	14	44.3 Å²	44.3	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-42.2	177.4	0	0	0	0	0	112	F321 A328 I329 N330 I334 V335 L336	F321-A332 HydrophobicContact CE1-CB 3.55Å; F321-A332 HydrophobicContact CZ-CB 4.21Å; A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 3.06Å; A328-A332 VanDerWaalsContact O-N 3.1Å; I329-A332 PolarHBondContact O-N 3.15Å; N330-A332 PolarHBondContact O-N 3.36Å; A332-I334 VanDerWaalsContact C-N 3.32Å; A332-I334 PolarHBondContact O-N 3.01Å; A332-V335 PolarHBondContact O-N 2.97Å; A332-L336 HydrophobicContact CB-CD1 4.48Å; A332-L336 WeakPolarHBondContact O-CB 3.24Å; A332-L336 WeakPolarHBondContact O-CD1 3.43Å; A332-L336 WeakPolarHBondContact O-CG 3.38Å; A332-L336 PolarHBondContact O-N 2.93Å
333	A	84.3	Confident	80.5	Confident	31 Å²	31	42.6 Å²	42.6	26%	0.256	24%	0.235	S	C	.	.	H	α-helix	trans	-58.9	-41.8	177.7	0	0	0	0	0	112.2	I312 I329 N330 L336 Y337	I312-A333 HydrophobicContact CD1-CB 4.36Å; I329-A333 WeakPolarHBondContact O-CB 3.42Å; I329-A333 PolarHBondContact O-N 2.82Å; N330-A333 PolarHBondContact O-N 3.49Å; A333-L336 PolarHBondContact O-N 3.37Å; A333-Y337 VanDerWaalsContact O-CB 3.29Å; A333-Y337 WeakPolarHBondContact O-CB 3.36Å; A333-Y337 PolarHBondContact O-N 3.42Å
334	I	85.6	Confident	82.3	Confident	56 Å²	56	41.4 Å²	41.4	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-47	176.8	-67.7	165.1	0	0	0	111.2	L66 N330 S331 A332 L336 Y337 A338 L403	L66-I334 HydrophobicContact CD1-CD1 3.35Å; N330-I334 WeakPolarHBondContact O-CG1 3.38Å; N330-I334 PolarHBondContact O-N 3.49Å; N330-I334 VanDerWaalsContact O-N 3.15Å; S331-I334 PolarHBondContact O-N 3.1Å; A332-I334 VanDerWaalsContact C-N 3.32Å; A332-I334 PolarHBondContact O-N 3.01Å; I334-L336 PolarHBondContact O-N 3.29Å; I334-Y337 PolarHBondContact O-N 3.06Å; I334-A338 PolarHBondContact O-N 3.21Å; I334-L403 HydrophobicContact CD1-CD2 3.89Å
335	V	85	Confident	84.2	Confident	87 Å²	87	38.8 Å²	38.8	53%	0.527	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-45	178.7	173.4	0	0	0	0	110.8	S331 A332 Y337 A338 L339	S331-V335 WeakPolarHBondContact O-CG2 3.38Å; S331-V335 PolarHBondContact O-N 3.46Å; A332-V335 PolarHBondContact O-N 2.97Å; V335-Y337 PolarHBondContact O-N 3.2Å; V335-A338 PolarHBondContact O-N 3.27Å; V335-L339 HydrophobicContact CG1-CD1 4.04Å; V335-L339 HydrophobicContact CG1-CG 4.45Å; V335-L339 WeakPolarHBondContact O-CG 3.13Å; V335-L339 PolarHBondContact O-N 3.04Å
336	L	89.6	Confident	85.9	Confident	27 Å²	27	37.9 Å²	37.9	14%	0.141	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-38.4	178.5	-68.2	157.3	0	0	0	112.3	L308 I312 M315 A332 A333 I334 A338 L339 T340	L308-L336 HydrophobicContact CD1-CB 3.47Å; L308-L336 VanDerWaalsContact CD1-CB 3.47Å; I312-L336 HydrophobicContact CG1-CD1 3.89Å; M315-L336 HydrophobicContact CE-CD1 3.07Å; M315-L336 HydrophobicContact CE-CD2 3.66Å; M315-L336 HydrophobicContact CE-CG 3.95Å; M315-L336 HydrophobicContact SD-CD1 4.33Å; M315-L336 HydrophobicContact SD-CD2 4.25Å; A332-L336 HydrophobicContact CB-CD1 4.48Å; A332-L336 WeakPolarHBondContact O-CB 3.24Å; A332-L336 WeakPolarHBondContact O-CD1 3.43Å; A332-L336 WeakPolarHBondContact O-CG 3.38Å; A332-L336 PolarHBondContact O-N 2.93Å; A333-L336 PolarHBondContact O-N 3.37Å; I334-L336 PolarHBondContact O-N 3.29Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 2.91Å; L336-L339 PolarHBondContact O-N 3.03Å; L336-T340 WeakPolarHBondContact O-CB 3.4Å; L336-T340 VanDerWaalsContact O-CG2 3.28Å; L336-T340 WeakPolarHBondContact O-CG2 3.49Å; L336-T340 PolarHBondContact O-N 3.38Å; L336-T340 PolarHBondContact O-OG1 3.13Å
337	Y	92.3	Very high	87.8	Confident	44 Å²	44	37.3 Å²	37.3	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-45.1	174.6	178.5	-92.3	0	0	0	110.6	Q304 F305 L308 A333 I334 V335 T340 S341 F371 S372	Q304-Y337 PolarHBondContact NE2-O 3.27Å; F305-Y337 HydrophobicContact CE1-CD2 4.36Å; F305-Y337 HydrophobicContact CE1-CE2 4Å; F305-Y337 HydrophobicContact CZ-CE2 4.18Å; L308-Y337 HydrophobicContact CD2-CD2 3.88Å; A333-Y337 VanDerWaalsContact O-CB 3.29Å; A333-Y337 WeakPolarHBondContact O-CB 3.36Å; A333-Y337 PolarHBondContact O-N 3.42Å; I334-Y337 PolarHBondContact O-N 3.06Å; V335-Y337 PolarHBondContact O-N 3.2Å; Y337-T340 PolarHBondContact O-OG1 2.92Å; Y337-S341 PolarHBondContact O-N 3.4Å; Y337-F371 HydrophobicContact CE2-CD1 4.19Å; Y337-F371 HydrophobicContact CE2-CE1 4.21Å; Y337-S372 PolarHBondContact OH-OG 2.94Å
338	A	90.8	Very high	89.3	Confident	15 Å²	15	37 Å²	37	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-43.9	176	0	0	0	0	0	112.1	I334 V335 L336 S341 V410 L414	I334-A338 PolarHBondContact O-N 3.21Å; V335-A338 PolarHBondContact O-N 3.27Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 2.91Å; A338-S341 VanDerWaalsContact O-CB 3.3Å; A338-S341 WeakPolarHBondContact O-CB 3.42Å; A338-S341 PolarHBondContact O-N 2.91Å; A338-S341 PolarHBondContact O-OG 2.93Å; A338-V410 HydrophobicContact CB-CG1 4.11Å; A338-L414 WeakPolarHBondContact O-CD2 3.28Å
339	L	90	Very high	90.5	Very high	98 Å²	98	36.5 Å²	36.5	51%	0.513	20%	0.204	S	C	.	.	H	α-helix	trans	-67.8	-39.9	179.5	-68.9	175.2	0	0	0	113.3	V335 L336 S341 C342 L414	V335-L339 HydrophobicContact CG1-CD1 4.04Å; V335-L339 HydrophobicContact CG1-CG 4.45Å; V335-L339 WeakPolarHBondContact O-CG 3.13Å; V335-L339 PolarHBondContact O-N 3.04Å; L336-L339 PolarHBondContact O-N 3.03Å; L339-S341 PolarHBondContact O-N 2.8Å; L339-C342 PolarHBondContact O-SG 3.34Å; L339-L414 HydrophobicContact CD2-CD2 4.48Å
340	T	94.8	Very high	91.5	Very high	17 Å²	17	34.4 Å²	34.4	10%	0.104	20%	0.195	C	C	.	.	H	α-helix	trans	-74.4	-12	-179.8	53.7	0	0	0	0	113.2	L336 Y337 C342 V343	L336-T340 WeakPolarHBondContact O-CB 3.4Å; L336-T340 VanDerWaalsContact O-CG2 3.28Å; L336-T340 WeakPolarHBondContact O-CG2 3.49Å; L336-T340 PolarHBondContact O-N 3.38Å; L336-T340 PolarHBondContact O-OG1 3.13Å; Y337-T340 PolarHBondContact O-OG1 2.92Å; T340-C342 PolarHBondContact O-N 3.29Å; T340-C342 VanDerWaalsContact O-N 3.16Å; T340-V343 VanDerWaalsContact O-CB 3.28Å; T340-V343 WeakPolarHBondContact O-CB 3.43Å; T340-V343 PolarHBondContact O-N 3.01Å
341	S	95.2	Very high	92.3	Very high	2 Å²	2	31 Å²	31	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-27.8	177.2	72.8	0	0	0	0	113.7	Y337 A338 L339 V343 S344 G345 G411 L414 T415	Y337-S341 PolarHBondContact O-N 3.4Å; A338-S341 VanDerWaalsContact O-CB 3.3Å; A338-S341 WeakPolarHBondContact O-CB 3.42Å; A338-S341 PolarHBondContact O-N 2.91Å; A338-S341 PolarHBondContact O-OG 2.93Å; L339-S341 PolarHBondContact O-N 2.8Å; S341-V343 VanDerWaalsContact C-N 3.28Å; S341-V343 PolarHBondContact O-N 3.13Å; S341-S344 VanDerWaalsContact O-CB 3.29Å; S341-S344 WeakPolarHBondContact O-CB 3.48Å; S341-S344 PolarHBondContact O-N 3.26Å; S341-G345 PolarHBondContact O-N 2.96Å; S341-G411 PolarHBondContact OG-O 2.97Å; S341-G411 VanDerWaalsContact OG-O 3.09Å; S341-L414 WeakPolarHBondContact OG-CB 3.26Å; S341-T415 WeakPolarHBondContact CB-OG1 3.28Å
342	C	96.6	Very high	93.2	Very high	49 Å²	49	30.3 Å²	30.3	33%	0.331	17%	0.169	S	C	.	.	H	α-helix	trans	-63.9	-32.1	174.1	70.1	0	0	0	0	112.9	L339 T340 S344 Y346 L414 G418	L339-C342 PolarHBondContact O-SG 3.34Å; T340-C342 PolarHBondContact O-N 3.29Å; T340-C342 VanDerWaalsContact O-N 3.16Å; C342-S344 VanDerWaalsContact C-N 3.34Å; C342-Y346 WeakPolarHBondContact O-CB 3.19Å; C342-Y346 PolarHBondContact O-N 3.49Å; C342-L414 WeakPolarHBondContact CA-O 3.39Å; C342-L414 HydrophobicContact CB-CB 4.43Å; C342-G418 WeakPolarHBondContact O-CA 3.06Å
343	V	97.5	Very high	93.9	Very high	42 Å²	42	31.6 Å²	31.6	26%	0.255	18%	0.175	S	C	.	.	H	α-helix	trans	-65	-42.2	175.5	-178.6	0	0	0	0	110	A303 T307 T340 S341 Y346 V347	A303-V343 HydrophobicContact CB-CG1 4.39Å; T307-V343 HydrophobicContact CG2-CG1 4.06Å; T307-V343 HydrophobicContact CG2-CG2 4.44Å; T340-V343 VanDerWaalsContact O-CB 3.28Å; T340-V343 WeakPolarHBondContact O-CB 3.43Å; T340-V343 PolarHBondContact O-N 3.01Å; S341-V343 VanDerWaalsContact C-N 3.28Å; S341-V343 PolarHBondContact O-N 3.13Å; V343-Y346 PolarHBondContact O-N 3.44Å; V343-V347 HydrophobicContact CG1-CG2 4.19Å; V343-V347 WeakPolarHBondContact O-CG2 3.33Å; V343-V347 PolarHBondContact O-N 3.28Å
344	S	97.3	Very high	94.4	Very high	1 Å²	1	32 Å²	32	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-52	177.9	-166.9	0	0	0	0	111.9	G300 V301 Q304 S341 C342 Y346 S348 T367	G300-S344 VanDerWaalsContact C-OG 3.28Å; G300-S344 WeakPolarHBondContact CA-O 3.4Å; G300-S344 WeakPolarHBondContact O-CA 3.48Å; G300-S344 PolarHBondContact O-OG 3.01Å; V301-S344 PolarHBondContact N-OG 3.42Å; Q304-S344 VanDerWaalsContact OE1-CB 3.3Å; S341-S344 VanDerWaalsContact O-CB 3.29Å; S341-S344 WeakPolarHBondContact O-CB 3.48Å; S341-S344 PolarHBondContact O-N 3.26Å; C342-S344 VanDerWaalsContact C-N 3.34Å; S344-Y346 PolarHBondContact O-N 3.17Å; S344-S348 WeakPolarHBondContact O-CB 3.29Å; S344-S348 PolarHBondContact O-N 3.09Å; S344-T367 WeakPolarHBondContact OG-CG2 3.49Å
345	G	97.3	Very high	94.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-45.5	177.7	0	0	0	0	0	112.4	S341 C349 T415 G419	S341-G345 PolarHBondContact O-N 2.96Å; G345-C349 WeakPolarHBondContact O-CB 3.28Å; G345-C349 PolarHBondContact O-N 3.3Å; G345-T415 WeakPolarHBondContact CA-O 3.48Å; G345-G419 WeakPolarHBondContact O-CA 3.29Å
346	Y	97.9	Very high	95.1	Very high	93 Å²	93	30.3 Å²	30.3	37%	0.365	16%	0.16	S	C	.	.	H	α-helix	trans	-60.1	-53.2	-179.9	176.5	-95.4	0	0	0	112.4	C342 V343 S344 S350 G418 V421 G422	C342-Y346 WeakPolarHBondContact O-CB 3.19Å; C342-Y346 PolarHBondContact O-N 3.49Å; V343-Y346 PolarHBondContact O-N 3.44Å; S344-Y346 PolarHBondContact O-N 3.17Å; Y346-S350 WeakPolarHBondContact O-CB 3.48Å; Y346-S350 PolarHBondContact O-N 3.39Å; Y346-G418 WeakPolarHBondContact CA-O 3.47Å; Y346-G418 VanDerWaalsContact N-C 3.35Å; Y346-G418 PolarHBondContact N-O 3.49Å; Y346-V421 HydrophobicContact CD2-CB 4.46Å; Y346-V421 HydrophobicContact CD2-CG1 4.04Å; Y346-V421 HydrophobicContact CE2-CG1 4.16Å; Y346-G422 VanDerWaalsContact CD2-CA 3.44Å
347	V	97.8	Very high	95.2	Very high	26 Å²	26	29.5 Å²	29.5	16%	0.158	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-45.7	-177.6	173	0	0	0	0	110.6	A303 V343 F351 W578	A303-V347 HydrophobicContact CB-CB 4.27Å; A303-V347 HydrophobicContact CB-CG1 4.15Å; A303-V347 HydrophobicContact CB-CG2 3.96Å; V343-V347 HydrophobicContact CG1-CG2 4.19Å; V343-V347 WeakPolarHBondContact O-CG2 3.33Å; V343-V347 PolarHBondContact O-N 3.28Å; V347-F351 WeakPolarHBondContact O-CB 3.41Å; V347-F351 PolarHBondContact O-N 2.87Å; V347-F351 VanDerWaalsContact O-N 3.11Å; V347-W578 HydrophobicContact CG1-CZ2 4.06Å
348	S	97.8	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-54.1	-179.7	179.9	0	0	0	0	112	C296 S344 Y352 N363 T367	C296-S348 WeakPolarHBondContact CB-O 3.37Å; C296-S348 WeakPolarHBondContact O-CA 3.36Å; C296-S348 WeakPolarHBondContact O-CB 3.39Å; C296-S348 PolarHBondContact O-OG 3.27Å; S344-S348 WeakPolarHBondContact O-CB 3.29Å; S344-S348 PolarHBondContact O-N 3.09Å; S348-Y352 WeakPolarHBondContact O-CB 3.39Å; S348-Y352 PolarHBondContact O-N 3.07Å; S348-N363 PolarHBondContact OG-ND2 2.92Å; S348-T367 WeakPolarHBondContact CB-OG1 3.48Å; S348-T367 PolarHBondContact OG-OG1 3.33Å
349	C	97	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.8	-38.2	-178.5	-91.2	0	0	0	0	113.5	G345 F351 Y352 T353 I364 G419	G345-C349 WeakPolarHBondContact O-CB 3.28Å; G345-C349 PolarHBondContact O-N 3.3Å; C349-F351 VanDerWaalsContact C-N 3.34Å; C349-F351 PolarHBondContact O-N 3.45Å; C349-Y352 PolarHBondContact O-N 2.97Å; C349-T353 WeakPolarHBondContact O-CB 3.46Å; C349-T353 PolarHBondContact O-N 3.41Å; C349-T353 PolarHBondContact O-OG1 3.12Å; C349-T353 VanDerWaalsContact O-OG1 3.12Å; C349-I364 VanDerWaalsContact SG-CD1 3.52Å; C349-I364 WeakPolarHBondContact SG-CG1 3.05Å; C349-G419 VanDerWaalsContact CB-O 3.24Å; C349-G419 WeakPolarHBondContact CB-O 3.4Å
350	S	96.5	Very high	95.5	Very high	12 Å²	12	41.5 Å²	41.5	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-48	177.6	-179.4	0	0	0	0	110.9	Y346 Q354 G422	Y346-S350 WeakPolarHBondContact O-CB 3.48Å; Y346-S350 PolarHBondContact O-N 3.39Å; S350-Q354 VanDerWaalsContact O-CG 3.31Å; S350-Q354 WeakPolarHBondContact O-CG 3.31Å; S350-Q354 PolarHBondContact O-N 2.93Å; S350-Q354 VanDerWaalsContact O-N 3.1Å; S350-Q354 PolarHBondContact OG-NE2 3.41Å; S350-G422 WeakPolarHBondContact CA-O 3.31Å
351	F	96.3	Very high	95.5	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-70.6	-37.5	178.9	-158.8	-112.5	0	0	0	112.4	L299 V347 C349 T353 Q354 I355 F429 W520 F577 W578 L581	L299-F351 HydrophobicContact CD1-CD1 3.75Å; L299-F351 HydrophobicContact CD1-CE1 3.92Å; V347-F351 WeakPolarHBondContact O-CB 3.41Å; V347-F351 PolarHBondContact O-N 2.87Å; V347-F351 VanDerWaalsContact O-N 3.11Å; C349-F351 VanDerWaalsContact C-N 3.34Å; C349-F351 PolarHBondContact O-N 3.45Å; F351-T353 VanDerWaalsContact C-N 3.34Å; F351-T353 PolarHBondContact O-N 3.42Å; F351-Q354 WeakPolarHBondContact O-CB 3.35Å; F351-Q354 PolarHBondContact O-N 3.35Å; F351-I355 HydrophobicContact CE1-CG2 4.15Å; F351-I355 HydrophobicContact CZ-CG2 4.27Å; F351-I355 WeakPolarHBondContact O-CG1 2.97Å; F351-I355 PolarHBondContact O-N 3.4Å; F351-I355 VanDerWaalsContact O-N 3.12Å; F351-F429 HydrophobicContact CE2-CD2 4.32Å; F351-F429 HydrophobicContact CE2-CE2 4.06Å; F351-F429 HydrophobicContact CZ-CE2 4.16Å; F351-W520 AromaticContact CE1-CZ3 3.93Å; F351-W520 HydrophobicContact CE1-CZ3 3.93Å; F351-W520 HydrophobicContact CZ-CH2 4.49Å; F351-W520 AromaticContact CZ-CZ3 3.78Å; F351-W520 HydrophobicContact CZ-CZ3 3.78Å; F351-F577 AromaticContact CE1-CE1 3.7Å; F351-F577 HydrophobicContact CE1-CE1 3.7Å; F351-F577 AromaticContact CE1-CZ 3.59Å; F351-F577 HydrophobicContact CE1-CZ 3.59Å; F351-F577 HydrophobicContact CE2-CE1 4.39Å; F351-F577 AromaticContact CZ-CE1 3.6Å; F351-F577 HydrophobicContact CZ-CE1 3.6Å; F351-F577 AromaticContact CZ-CZ 3.57Å; F351-F577 HydrophobicContact CZ-CZ 3.57Å; F351-W578 AromaticContact CD2-CH2 3.66Å; F351-W578 HydrophobicContact CD2-CH2 3.66Å; F351-W578 HydrophobicContact CD2-CZ3 4.29Å; F351-W578 AromaticContact CE2-CH2 3.97Å; F351-W578 HydrophobicContact CE2-CH2 3.97Å; F351-W578 HydrophobicContact CE2-CZ3 4.17Å; F351-W578 HydrophobicContact CG-CH2 4.24Å; F351-L581 HydrophobicContact CE2-CD2 4.02Å; F351-L581 HydrophobicContact CZ-CD2 4.17Å
352	Y	96.8	Very high	95.6	Very high	22 Å²	22	52.1 Å²	52.1	9%	0.086	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-41.8	177	-174.6	-107	0	0	0	112.2	K292 C296 S348 C349 I355 G357 R359 W360 N363	K292-Y352 HydrophobicContact CB-CD2 4.31Å; K292-Y352 HydrophobicContact CB-CE2 4.04Å; C296-Y352 HydrophobicContact CB-CD2 4.33Å; C296-Y352 WeakPolarHBondContact SG-CA 3.42Å; C296-Y352 PolarHBondContact SG-N 3.42Å; C296-Y352 VanDerWaalsContact SG-N 3.43Å; S348-Y352 WeakPolarHBondContact O-CB 3.39Å; S348-Y352 PolarHBondContact O-N 3.07Å; C349-Y352 PolarHBondContact O-N 2.97Å; Y352-I355 WeakPolarHBondContact O-CG1 3.44Å; Y352-I355 PolarHBondContact O-N 3.49Å; Y352-G357 VanDerWaalsContact CZ-CA 3.45Å; Y352-G357 VanDerWaalsContact O-CA 3.29Å; Y352-G357 WeakPolarHBondContact O-CA 3.38Å; Y352-G357 PolarHBondContact O-N 3.23Å; Y352-R359 PolarHBondContact OH-N 3.22Å; Y352-W360 HydrophobicContact CD1-CB 4.35Å; Y352-W360 HydrophobicContact CE1-CB 4.43Å; Y352-N363 HydrophobicContact CD1-CB 4.09Å; Y352-N363 HydrophobicContact CD2-CB 4.39Å; Y352-N363 HydrophobicContact CE1-CB 4.16Å; Y352-N363 HydrophobicContact CE2-CB 4.47Å; Y352-N363 HydrophobicContact CG-CB 4.21Å
353	T	95.2	Very high	95.6	Very high	41 Å²	41	49.8 Å²	49.8	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-67.1	-41.2	175	-62.4	0	0	0	0	111.5	C349 F351 I355 N356 A426	C349-T353 WeakPolarHBondContact O-CB 3.46Å; C349-T353 PolarHBondContact O-N 3.41Å; C349-T353 PolarHBondContact O-OG1 3.12Å; C349-T353 VanDerWaalsContact O-OG1 3.12Å; F351-T353 VanDerWaalsContact C-N 3.34Å; F351-T353 PolarHBondContact O-N 3.42Å; T353-I355 VanDerWaalsContact C-N 3.29Å; T353-I355 PolarHBondContact O-N 3.34Å; T353-N356 PolarHBondContact O-N 3.44Å; T353-N356 VanDerWaalsContact O-N 3.15Å; T353-A426 HydrophobicContact CG2-CB 3.67Å
354	Q	94.3	Very high	95.5	Very high	40 Å²	40	48 Å²	48	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-56.3	-39.9	175.9	-77.3	171.3	39.7	0	0	112.8	S350 F351 N356 G427 F429	S350-Q354 VanDerWaalsContact O-CG 3.31Å; S350-Q354 WeakPolarHBondContact O-CG 3.31Å; S350-Q354 PolarHBondContact O-N 2.93Å; S350-Q354 VanDerWaalsContact O-N 3.1Å; S350-Q354 PolarHBondContact OG-NE2 3.41Å; F351-Q354 WeakPolarHBondContact O-CB 3.35Å; F351-Q354 PolarHBondContact O-N 3.35Å; Q354-N356 VanDerWaalsContact C-N 3.25Å; Q354-N356 PolarHBondContact O-N 2.83Å; Q354-G427 VanDerWaalsContact CG-O 3.24Å; Q354-G427 WeakPolarHBondContact CG-O 3.44Å; Q354-F429 HydrophobicContact CB-CB 4.11Å; Q354-F429 HydrophobicContact CB-CD2 4.42Å; Q354-F429 VanDerWaalsContact O-CB 3.25Å; Q354-F429 WeakPolarHBondContact O-CB 3.22Å
355	I	94.2	Very high	95.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	25.1	-179.1	66.7	178.1	0	0	0	114	F288 K292 F351 Y352 T353 F429 W520	F288-I355 HydrophobicContact CD1-CB 3.76Å; F288-I355 HydrophobicContact CD1-CG2 3.79Å; F288-I355 HydrophobicContact CE1-CB 3.9Å; F288-I355 HydrophobicContact CE1-CG2 3.78Å; F288-I355 HydrophobicContact CG-CB 4.16Å; F288-I355 HydrophobicContact CZ-CB 4.39Å; K292-I355 HydrophobicContact CB-CD1 3.69Å; K292-I355 HydrophobicContact CB-CG1 4.38Å; K292-I355 HydrophobicContact CD-CD1 4.13Å; K292-I355 HydrophobicContact CD-CG1 4.13Å; K292-I355 HydrophobicContact CG-CD1 3.9Å; K292-I355 HydrophobicContact CG-CG1 4.45Å; K292-I355 PolarHBondContact NZ-O 3.47Å; F351-I355 HydrophobicContact CE1-CG2 4.15Å; F351-I355 HydrophobicContact CZ-CG2 4.27Å; F351-I355 WeakPolarHBondContact O-CG1 2.97Å; F351-I355 PolarHBondContact O-N 3.4Å; F351-I355 VanDerWaalsContact O-N 3.12Å; Y352-I355 WeakPolarHBondContact O-CG1 3.44Å; Y352-I355 PolarHBondContact O-N 3.49Å; T353-I355 VanDerWaalsContact C-N 3.29Å; T353-I355 PolarHBondContact O-N 3.34Å; I355-F429 HydrophobicContact CG2-CD2 4.29Å; I355-W520 HydrophobicContact CG2-CH2 4.29Å; I355-W520 HydrophobicContact CG2-CZ3 4.29Å
356	N	92.6	Very high	95.5	Very high	106 Å²	106	53.6 Å²	53.6	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	40.8	-179.9	-64.9	-28.6	0	0	0	114	F288 T353 Q354	F288-N356 HydrophobicContact CE2-CB 4.43Å; T353-N356 PolarHBondContact O-N 3.44Å; T353-N356 VanDerWaalsContact O-N 3.15Å; Q354-N356 VanDerWaalsContact C-N 3.25Å; Q354-N356 PolarHBondContact O-N 2.83Å
357	G	92.3	Very high	95.5	Very high	10 Å²	10	49.3 Å²	49.3	10%	0.103	23%	0.232	C	C	.	.			trans	-80.9	127.1	172.3	0	0	0	0	0	112.5	Y352	Y352-G357 VanDerWaalsContact CZ-CA 3.45Å; Y352-G357 VanDerWaalsContact O-CA 3.29Å; Y352-G357 WeakPolarHBondContact O-CA 3.38Å; Y352-G357 PolarHBondContact O-N 3.23Å
358	Q	90.8	Very high	95.3	Very high	158 Å²	158	48.5 Å²	48.5	74%	0.738	23%	0.227	S	C	*	.			trans	-96.8	-39.6	-175.9	-60.6	-63.4	-21	0	0	113.1	W360	Q358-W360 VanDerWaalsContact C-N 3.31Å; Q358-W360 PolarHBondContact O-N 2.74Å
359	R	94.4	Very high	95.2	Very high	185 Å²	185	50.5 Å²	50.5	70%	0.698	24%	0.241	S	C	*	.			trans	-88.9	60.4	-173	-62.9	-175.8	-174.2	174.5	1.8	112.1	Y352 V361 W362 N363	Y352-R359 PolarHBondContact OH-N 3.22Å; R359-V361 VanDerWaalsContact C-N 3.28Å; R359-V361 PolarHBondContact O-N 2.89Å; R359-W362 HydrophobicContact CB-CB 4.47Å; R359-W362 PolarHBondContact O-N 2.9Å; R359-N363 PolarHBondContact O-N 3.38Å
360	W	93.8	Very high	95.1	Very high	66 Å²	66	52.2 Å²	52.2	25%	0.25	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-30	-173.5	72.3	-84.9	0	0	0	114	Y352 Q358 N363 I364 I420 K423	Y352-W360 HydrophobicContact CD1-CB 4.35Å; Y352-W360 HydrophobicContact CE1-CB 4.43Å; Q358-W360 VanDerWaalsContact C-N 3.31Å; Q358-W360 PolarHBondContact O-N 2.74Å; W360-N363 WeakPolarHBondContact O-CB 3.26Å; W360-N363 PolarHBondContact O-N 2.66Å; W360-I364 HydrophobicContact CE3-CG1 4.39Å; W360-I364 PolarHBondContact O-N 2.87Å; W360-I420 HydrophobicContact CH2-CG1 4.05Å; W360-I420 HydrophobicContact CZ3-CG1 4.11Å; W360-K423 HydrophobicContact CD2-CD 4Å; W360-K423 HydrophobicContact CG-CD 3.95Å; W360-K423 VanDerWaalsContact NE1-NZ 3.16Å
361	V	94.9	Very high	95.1	Very high	74 Å²	74	52.5 Å²	52.5	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-63.4	-48.9	177.3	179.8	0	0	0	0	110.9	R359 N363 I364 I365	R359-V361 VanDerWaalsContact C-N 3.28Å; R359-V361 PolarHBondContact O-N 2.89Å; V361-N363 PolarHBondContact O-N 3.45Å; V361-I364 PolarHBondContact O-N 3.39Å; V361-I364 VanDerWaalsContact O-N 3.13Å; V361-I365 HydrophobicContact CG1-CD1 4.22Å; V361-I365 WeakPolarHBondContact O-CG1 3.36Å; V361-I365 PolarHBondContact O-N 2.94Å
362	W	95.9	Very high	94.9	Very high	169 Å²	169	52.5 Å²	52.5	64%	0.64	25%	0.25	S	S	*	.	H	α-helix	trans	-62.6	-33.8	175.5	-76	110.9	0	0	0	112.2	R359 I365 L366	R359-W362 HydrophobicContact CB-CB 4.47Å; R359-W362 PolarHBondContact O-N 2.9Å; W362-I365 HydrophobicContact CE3-CD1 3.99Å; W362-I365 HydrophobicContact CZ3-CD1 4.15Å; W362-I365 PolarHBondContact O-N 2.85Å; W362-L366 WeakPolarHBondContact O-CB 3.28Å; W362-L366 PolarHBondContact O-N 2.91Å
363	N	96.9	Very high	94.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-41.1	173.9	-173.8	68.5	0	0	0	112.5	S293 S348 Y352 R359 W360 V361 L366 T367	S293-N363 VanDerWaalsContact CA-OD1 3.22Å; S293-N363 WeakPolarHBondContact CA-OD1 3.45Å; S293-N363 PolarHBondContact O-OD1 3.46Å; S293-N363 VanDerWaalsContact OG-CA 3.3Å; S293-N363 WeakPolarHBondContact OG-CA 3.33Å; S293-N363 WeakPolarHBondContact OG-CB 3.15Å; S293-N363 PolarHBondContact OG-OD1 3.47Å; S348-N363 PolarHBondContact OG-ND2 2.92Å; Y352-N363 HydrophobicContact CD1-CB 4.09Å; Y352-N363 HydrophobicContact CD2-CB 4.39Å; Y352-N363 HydrophobicContact CE1-CB 4.16Å; Y352-N363 HydrophobicContact CE2-CB 4.47Å; Y352-N363 HydrophobicContact CG-CB 4.21Å; R359-N363 PolarHBondContact O-N 3.38Å; W360-N363 WeakPolarHBondContact O-CB 3.26Å; W360-N363 PolarHBondContact O-N 2.66Å; V361-N363 PolarHBondContact O-N 3.45Å; N363-L366 PolarHBondContact O-N 2.93Å; N363-T367 WeakPolarHBondContact O-CB 3.48Å; N363-T367 PolarHBondContact O-N 2.83Å; N363-T367 PolarHBondContact O-OG1 2.95Å
364	I	96.6	Very high	94.8	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-42.2	176	-75.3	-68.1	0	0	0	112.1	C349 W360 V361 L366 T367 S368 T415 V416	C349-I364 VanDerWaalsContact SG-CD1 3.52Å; C349-I364 WeakPolarHBondContact SG-CG1 3.05Å; W360-I364 HydrophobicContact CE3-CG1 4.39Å; W360-I364 PolarHBondContact O-N 2.87Å; V361-I364 PolarHBondContact O-N 3.39Å; V361-I364 VanDerWaalsContact O-N 3.13Å; I364-L366 VanDerWaalsContact C-N 3.3Å; I364-L366 PolarHBondContact O-N 3.22Å; I364-T367 PolarHBondContact O-N 2.95Å; I364-S368 PolarHBondContact O-N 3.2Å; I364-T415 HydrophobicContact CD1-CG2 4.35Å; I364-T415 HydrophobicContact CG2-CG2 4.43Å; I364-V416 HydrophobicContact CG2-CG2 3.81Å
365	I	96.6	Very high	94.7	Very high	67 Å²	67	55 Å²	55	34%	0.344	28%	0.275	S	S	.	.	H	α-helix	trans	-57.3	-48.7	175.3	-65.9	169	0	0	0	109.5	V361 W362 T367 S368 S369	V361-I365 HydrophobicContact CG1-CD1 4.22Å; V361-I365 WeakPolarHBondContact O-CG1 3.36Å; V361-I365 PolarHBondContact O-N 2.94Å; W362-I365 HydrophobicContact CE3-CD1 3.99Å; W362-I365 HydrophobicContact CZ3-CD1 4.15Å; W362-I365 PolarHBondContact O-N 2.85Å; I365-T367 PolarHBondContact O-N 3.45Å; I365-S368 PolarHBondContact O-N 3.09Å; I365-S369 WeakPolarHBondContact O-CB 3.44Å; I365-S369 PolarHBondContact O-N 3.06Å; I365-S369 PolarHBondContact O-OG 2.93Å; I365-S369 VanDerWaalsContact O-OG 3.09Å
366	L	97	Very high	94.6	Very high	52 Å²	52	57.5 Å²	57.5	27%	0.272	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-43.5	176.4	-177.9	62.8	0	0	0	112.2	L294 A297 W362 N363 I364 S368 S369 L370	L294-L366 HydrophobicContact CB-CD2 4.22Å; L294-L366 HydrophobicContact CD1-CD2 4.25Å; A297-L366 HydrophobicContact CB-CB 4.49Å; A297-L366 HydrophobicContact CB-CD2 4.07Å; A297-L366 HydrophobicContact CB-CG 3.91Å; W362-L366 WeakPolarHBondContact O-CB 3.28Å; W362-L366 PolarHBondContact O-N 2.91Å; N363-L366 PolarHBondContact O-N 2.93Å; I364-L366 VanDerWaalsContact C-N 3.3Å; I364-L366 PolarHBondContact O-N 3.22Å; L366-S368 VanDerWaalsContact C-N 3.33Å; L366-S368 PolarHBondContact O-N 3.21Å; L366-S369 PolarHBondContact O-N 3.27Å; L366-S369 PolarHBondContact O-OG 2.97Å; L366-L370 VanDerWaalsContact O-CB 3.26Å; L366-L370 WeakPolarHBondContact O-CB 3.41Å; L366-L370 PolarHBondContact O-N 3.01Å
367	T	97.1	Very high	94.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-43.1	178.6	-57.2	0	0	0	0	111.2	A297 V301 S344 S348 N363 I364 I365	A297-T367 WeakPolarHBondContact CA-OG1 3.31Å; V301-T367 HydrophobicContact CG2-CG2 4.03Å; V301-T367 WeakPolarHBondContact CG2-O 3.31Å; S344-T367 WeakPolarHBondContact OG-CG2 3.49Å; S348-T367 WeakPolarHBondContact CB-OG1 3.48Å; S348-T367 PolarHBondContact OG-OG1 3.33Å; N363-T367 WeakPolarHBondContact O-CB 3.48Å; N363-T367 PolarHBondContact O-N 2.83Å; N363-T367 PolarHBondContact O-OG1 2.95Å; I364-T367 PolarHBondContact O-N 2.95Å; I365-T367 PolarHBondContact O-N 3.45Å
368	S	95	Very high	94.6	Very high	10 Å²	10	59.7 Å²	59.7	7%	0.07	29%	0.289	C	S	.	.	H	α-helix	trans	-72.1	-37.1	178.4	-171.1	0	0	0	0	112.5	I364 I365 L366 S372 W407 F412	I364-S368 PolarHBondContact O-N 3.2Å; I365-S368 PolarHBondContact O-N 3.09Å; L366-S368 VanDerWaalsContact C-N 3.33Å; L366-S368 PolarHBondContact O-N 3.21Å; S368-S372 WeakPolarHBondContact O-CB 3.36Å; S368-S372 PolarHBondContact O-OG 3.2Å; S368-S372 VanDerWaalsContact O-OG 3.12Å; S368-W407 WeakPolarHBondContact OG-CZ2 3.29Å; S368-F412 WeakPolarHBondContact OG-CD2 3.36Å
369	S	94.5	Very high	94.6	Very high	42 Å²	42	54.1 Å²	54.1	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-81.6	-21	-178.2	66.7	0	0	0	0	114.3	I365 L366 F371 S372 A373	I365-S369 WeakPolarHBondContact O-CB 3.44Å; I365-S369 PolarHBondContact O-N 3.06Å; I365-S369 PolarHBondContact O-OG 2.93Å; I365-S369 VanDerWaalsContact O-OG 3.09Å; L366-S369 PolarHBondContact O-N 3.27Å; L366-S369 PolarHBondContact O-OG 2.97Å; S369-F371 VanDerWaalsContact C-N 3.28Å; S369-F371 PolarHBondContact O-N 3.11Å; S369-S372 PolarHBondContact O-N 3.45Å; S369-A373 VanDerWaalsContact O-CB 3.26Å; S369-A373 WeakPolarHBondContact O-CB 3.44Å; S369-A373 PolarHBondContact O-N 3.44Å
370	L	96.1	Very high	94.4	Very high	35 Å²	35	47.8 Å²	47.8	18%	0.183	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-38.6	-170.2	-177.7	65	0	0	0	113.4	L294 A297 I298 V301 L366 P374 L570	L294-L370 HydrophobicContact CD1-CD1 4.14Å; A297-L370 HydrophobicContact CB-CD2 4.18Å; I298-L370 HydrophobicContact CB-CD2 4.38Å; I298-L370 HydrophobicContact CG1-CD2 3.76Å; V301-L370 HydrophobicContact CB-CD2 4.38Å; V301-L370 HydrophobicContact CG2-CB 4.27Å; V301-L370 HydrophobicContact CG2-CD2 4.14Å; L366-L370 VanDerWaalsContact O-CB 3.26Å; L366-L370 WeakPolarHBondContact O-CB 3.41Å; L366-L370 PolarHBondContact O-N 3.01Å; L370-P374 WeakPolarHBondContact O-CD 3.49Å; L370-P374 WeakPolarHBondContact O-CG 3.37Å; L370-L570 HydrophobicContact CD2-CD2 3.91Å; L370-L570 HydrophobicContact CG-CD2 4.48Å
371	F	95.6	Very high	94.4	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-102.4	-40.1	173.3	175.7	-102	0	0	0	112.5	V301 F305 Y337 S369 A373 P374 L375 L563 L566 V567	V301-F371 HydrophobicContact CG1-CB 4.06Å; F305-F371 HydrophobicContact CE1-CE1 4.26Å; F305-F371 HydrophobicContact CE1-CZ 4.29Å; F305-F371 HydrophobicContact CE2-CB 4.18Å; F305-F371 HydrophobicContact CE2-CD1 4.34Å; F305-F371 AromaticContact CE2-CD2 3.84Å; F305-F371 HydrophobicContact CE2-CD2 3.84Å; F305-F371 HydrophobicContact CE2-CE2 4.31Å; F305-F371 AromaticContact CE2-CG 3.85Å; F305-F371 HydrophobicContact CE2-CG 3.85Å; F305-F371 HydrophobicContact CZ-CB 4.25Å; F305-F371 AromaticContact CZ-CD1 3.58Å; F305-F371 HydrophobicContact CZ-CD1 3.58Å; F305-F371 AromaticContact CZ-CD2 3.59Å; F305-F371 HydrophobicContact CZ-CD2 3.59Å; F305-F371 AromaticContact CZ-CE1 3.65Å; F305-F371 HydrophobicContact CZ-CE1 3.65Å; F305-F371 AromaticContact CZ-CE2 3.7Å; F305-F371 HydrophobicContact CZ-CE2 3.7Å; F305-F371 AromaticContact CZ-CG 3.51Å; F305-F371 HydrophobicContact CZ-CG 3.51Å; F305-F371 AromaticContact CZ-CZ 3.72Å; F305-F371 HydrophobicContact CZ-CZ 3.72Å; Y337-F371 HydrophobicContact CE2-CD1 4.19Å; Y337-F371 HydrophobicContact CE2-CE1 4.21Å; S369-F371 VanDerWaalsContact C-N 3.28Å; S369-F371 PolarHBondContact O-N 3.11Å; F371-A373 PolarHBondContact O-N 3.32Å; F371-P374 WeakPolarHBondContact O-CD 3.44Å; F371-L375 HydrophobicContact CD1-CB 4.46Å; F371-L375 HydrophobicContact CD1-CD2 4.47Å; F371-L375 HydrophobicContact CE1-CB 4.17Å; F371-L375 HydrophobicContact CE1-CD1 4.5Å; F371-L375 HydrophobicContact CE1-CD2 3.83Å; F371-L375 HydrophobicContact CE1-CG 4.39Å; F371-L375 HydrophobicContact CZ-CB 4.38Å; F371-L375 HydrophobicContact CZ-CD1 4.33Å; F371-L375 HydrophobicContact CZ-CD2 4.46Å; F371-L375 WeakPolarHBondContact O-CB 3.46Å; F371-L375 PolarHBondContact O-N 3.34Å; F371-L563 HydrophobicContact CE2-CD2 4.48Å; F371-L566 HydrophobicContact CD2-CD2 4.11Å; F371-V567 HydrophobicContact CD2-CG2 4.24Å; F371-V567 HydrophobicContact CE2-CG2 3.52Å; F371-V567 HydrophobicContact CZ-CG2 4.05Å
372	S	92.8	Very high	94.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-36.1	-174.1	-56.9	0	0	0	0	112.8	Y337 S368 S369 L375 F376 W407	Y337-S372 PolarHBondContact OH-OG 2.94Å; S368-S372 WeakPolarHBondContact O-CB 3.36Å; S368-S372 PolarHBondContact O-OG 3.2Å; S368-S372 VanDerWaalsContact O-OG 3.12Å; S369-S372 PolarHBondContact O-N 3.45Å; S372-L375 PolarHBondContact O-N 2.96Å; S372-F376 WeakPolarHBondContact O-CD2 3.45Å; S372-F376 PolarHBondContact O-N 3.45Å; S372-W407 PolarHBondContact OG-NE1 2.93Å
373	A	93.3	Very high	94.1	Very high	56 Å²	56	37.5 Å²	37.5	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-67.4	-49.2	178	0	0	0	0	0	112.5	S369 F371 L375 F376 F377	S369-A373 VanDerWaalsContact O-CB 3.26Å; S369-A373 WeakPolarHBondContact O-CB 3.44Å; S369-A373 PolarHBondContact O-N 3.44Å; F371-A373 PolarHBondContact O-N 3.32Å; A373-L375 VanDerWaalsContact C-N 3.3Å; A373-L375 PolarHBondContact O-N 2.88Å; A373-F376 PolarHBondContact O-N 3.45Å; A373-F377 WeakPolarHBondContact O-CB 3.39Å; A373-F377 PolarHBondContact O-N 2.92Å
374	P	95.8	Very high	93.9	Very high	48 Å²	48	41.1 Å²	41.1	31%	0.312	23%	0.233	S	C	.	.	H	α-helix	trans	-56.5	-41.2	169.6	-27.7	34.7	0	0	0	113.6	L370 F371 F377 T378 L563 L566	L370-P374 WeakPolarHBondContact O-CD 3.49Å; L370-P374 WeakPolarHBondContact O-CG 3.37Å; F371-P374 WeakPolarHBondContact O-CD 3.44Å; P374-F377 PolarHBondContact O-N 3.43Å; P374-T378 WeakPolarHBondContact O-CB 3.26Å; P374-T378 PolarHBondContact O-N 2.99Å; P374-T378 PolarHBondContact O-OG1 3.2Å; P374-T378 VanDerWaalsContact O-OG1 3.09Å; P374-L563 HydrophobicContact CB-CD2 4.19Å; P374-L566 HydrophobicContact CB-CD2 4Å; P374-L566 HydrophobicContact CG-CD2 4.12Å
375	L	93.2	Very high	93.9	Very high	52 Å²	52	42.4 Å²	42.4	27%	0.272	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-54.2	177.3	175.3	69.1	0	0	0	111.5	F371 S372 A373 F377 T378 W379 L563	F371-L375 HydrophobicContact CD1-CB 4.46Å; F371-L375 HydrophobicContact CD1-CD2 4.47Å; F371-L375 HydrophobicContact CE1-CB 4.17Å; F371-L375 HydrophobicContact CE1-CD1 4.5Å; F371-L375 HydrophobicContact CE1-CD2 3.83Å; F371-L375 HydrophobicContact CE1-CG 4.39Å; F371-L375 HydrophobicContact CZ-CB 4.38Å; F371-L375 HydrophobicContact CZ-CD1 4.33Å; F371-L375 HydrophobicContact CZ-CD2 4.46Å; F371-L375 WeakPolarHBondContact O-CB 3.46Å; F371-L375 PolarHBondContact O-N 3.34Å; S372-L375 PolarHBondContact O-N 2.96Å; A373-L375 VanDerWaalsContact C-N 3.3Å; A373-L375 PolarHBondContact O-N 2.88Å; L375-F377 VanDerWaalsContact C-N 3.3Å; L375-F377 PolarHBondContact O-N 2.93Å; L375-T378 PolarHBondContact O-N 3.35Å; L375-W379 WeakPolarHBondContact O-CB 3.16Å; L375-W379 PolarHBondContact O-N 3.37Å; L375-L563 HydrophobicContact CB-CD2 4.48Å; L375-L563 HydrophobicContact CD1-CD1 3.68Å
376	F	90.8	Very high	93.7	Very high	52 Å²	52	39.4 Å²	39.4	23%	0.228	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-35	-179.6	-78.2	-62.9	0	0	0	112.2	S372 A373 S380 L404 W407	S372-F376 WeakPolarHBondContact O-CD2 3.45Å; S372-F376 PolarHBondContact O-N 3.45Å; A373-F376 PolarHBondContact O-N 3.45Å; F376-S380 VanDerWaalsContact O-CB 3.29Å; F376-S380 WeakPolarHBondContact O-CB 3.36Å; F376-S380 PolarHBondContact O-N 3.11Å; F376-S380 PolarHBondContact O-OG 3Å; F376-L404 HydrophobicContact CE1-CB 4.45Å; F376-W407 HydrophobicContact CE2-CD2 4.02Å; F376-W407 HydrophobicContact CE2-CE3 4.15Å; F376-W407 HydrophobicContact CE2-CG 4.2Å; F376-W407 HydrophobicContact CZ-CB 4.29Å; F376-W407 HydrophobicContact CZ-CG 4.38Å
377	F	92.6	Very high	93.4	Very high	146 Å²	146	44.3 Å²	44.3	64%	0.64	24%	0.241	S	C	*	.	H	α-helix	trans	-64.7	-54.9	175.5	178	-99.2	0	0	0	111.6	A373 P374 L375 W379 S380 V381	A373-F377 WeakPolarHBondContact O-CB 3.39Å; A373-F377 PolarHBondContact O-N 2.92Å; P374-F377 PolarHBondContact O-N 3.43Å; L375-F377 VanDerWaalsContact C-N 3.3Å; L375-F377 PolarHBondContact O-N 2.93Å; F377-W379 VanDerWaalsContact C-N 3.32Å; F377-W379 PolarHBondContact O-N 3.47Å; F377-S380 PolarHBondContact O-N 2.65Å; F377-S380 VanDerWaalsContact O-N 3.14Å; F377-V381 HydrophobicContact CE1-CG2 4.27Å; F377-V381 HydrophobicContact CE2-CG2 4.5Å; F377-V381 HydrophobicContact CZ-CG2 4.17Å; F377-V381 WeakPolarHBondContact O-CG2 3.4Å; F377-V381 PolarHBondContact O-N 3.44Å; F377-V381 VanDerWaalsContact O-N 3.07Å
378	T	93.9	Very high	93.2	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.098	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-46.6	177.9	-62.8	0	0	0	0	111	P374 L375 S380 V381 V382 G559 L563	P374-T378 WeakPolarHBondContact O-CB 3.26Å; P374-T378 PolarHBondContact O-N 2.99Å; P374-T378 PolarHBondContact O-OG1 3.2Å; P374-T378 VanDerWaalsContact O-OG1 3.09Å; L375-T378 PolarHBondContact O-N 3.35Å; T378-S380 VanDerWaalsContact C-N 3.31Å; T378-S380 PolarHBondContact O-N 3.28Å; T378-V381 PolarHBondContact O-N 3.26Å; T378-V382 HydrophobicContact CG2-CG2 4.3Å; T378-V382 WeakPolarHBondContact O-CG2 3.46Å; T378-V382 PolarHBondContact O-N 3.17Å; T378-G559 WeakPolarHBondContact CG2-O 3.45Å; T378-L563 HydrophobicContact CG2-CD1 3.75Å; T378-L563 HydrophobicContact CG2-CG 4.12Å
379	W	90.4	Very high	92.9	Very high	40 Å²	40	55 Å²	55	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-42.8	176.6	173	80.1	0	0	0	111.8	L375 F377 V381 V382 N383 L395 V400	L375-W379 WeakPolarHBondContact O-CB 3.16Å; L375-W379 PolarHBondContact O-N 3.37Å; F377-W379 VanDerWaalsContact C-N 3.32Å; F377-W379 PolarHBondContact O-N 3.47Å; W379-V381 VanDerWaalsContact C-N 3.33Å; W379-V381 PolarHBondContact O-N 3.04Å; W379-V382 PolarHBondContact O-N 3.25Å; W379-N383 HydrophobicContact CD2-CB 4.41Å; W379-N383 HydrophobicContact CH2-CB 4.24Å; W379-N383 HydrophobicContact CZ2-CB 3.76Å; W379-N383 VanDerWaalsContact CZ2-CG 3.5Å; W379-N383 WeakPolarHBondContact O-CB 3.34Å; W379-N383 PolarHBondContact O-N 3.38Å; W379-L395 HydrophobicContact CZ2-CB 4.37Å; W379-L395 HydrophobicContact CZ2-CD1 4.32Å; W379-V400 HydrophobicContact CH2-CB 3.9Å; W379-V400 HydrophobicContact CH2-CG1 3.28Å; W379-V400 HydrophobicContact CH2-CG2 3.28Å; W379-V400 HydrophobicContact CZ2-CB 4.26Å; W379-V400 HydrophobicContact CZ2-CG1 4.03Å; W379-V400 HydrophobicContact CZ2-CG2 3.31Å; W379-V400 HydrophobicContact CZ3-CG1 3.7Å; W379-V400 HydrophobicContact CZ3-CG2 4.45Å
380	S	90.7	Very high	92.7	Very high	53 Å²	53	55.5 Å²	55.5	37%	0.371	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-40.2	178.7	-61	0	0	0	0	111.9	F376 F377 T378 S384	F376-S380 VanDerWaalsContact O-CB 3.29Å; F376-S380 WeakPolarHBondContact O-CB 3.36Å; F376-S380 PolarHBondContact O-N 3.11Å; F376-S380 PolarHBondContact O-OG 3Å; F377-S380 PolarHBondContact O-N 2.65Å; F377-S380 VanDerWaalsContact O-N 3.14Å; T378-S380 VanDerWaalsContact C-N 3.31Å; T378-S380 PolarHBondContact O-N 3.28Å; S380-S384 WeakPolarHBondContact O-CB 3.44Å; S380-S384 PolarHBondContact O-N 2.92Å; S380-S384 PolarHBondContact O-OG 2.69Å
381	V	93.1	Very high	92.5	Very high	72 Å²	72	54 Å²	54	44%	0.436	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-52.9	176.1	174.6	0	0	0	0	110.4	F377 T378 W379 N383 S384 V385	F377-V381 HydrophobicContact CE1-CG2 4.27Å; F377-V381 HydrophobicContact CE2-CG2 4.5Å; F377-V381 HydrophobicContact CZ-CG2 4.17Å; F377-V381 WeakPolarHBondContact O-CG2 3.4Å; F377-V381 PolarHBondContact O-N 3.44Å; F377-V381 VanDerWaalsContact O-N 3.07Å; T378-V381 PolarHBondContact O-N 3.26Å; W379-V381 VanDerWaalsContact C-N 3.33Å; W379-V381 PolarHBondContact O-N 3.04Å; V381-N383 PolarHBondContact O-N 3.5Å; V381-S384 WeakPolarHBondContact O-CB 3.33Å; V381-S384 PolarHBondContact O-N 2.77Å; V381-V385 PolarHBondContact O-N 2.92Å; V381-V385 VanDerWaalsContact O-N 3.14Å
382	V	93.5	Very high	92.3	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-48.9	-179.6	172.1	0	0	0	0	110.8	T378 W379 S384 V385 H386 E556 Y560	T378-V382 HydrophobicContact CG2-CG2 4.3Å; T378-V382 WeakPolarHBondContact O-CG2 3.46Å; T378-V382 PolarHBondContact O-N 3.17Å; W379-V382 PolarHBondContact O-N 3.25Å; V382-S384 VanDerWaalsContact C-N 3.29Å; V382-S384 PolarHBondContact O-N 2.96Å; V382-V385 WeakPolarHBondContact O-CB 3.12Å; V382-V385 PolarHBondContact O-N 3.34Å; V382-H386 WeakPolarHBondContact CG1-NE2 3.26Å; V382-H386 PolarHBondContact O-CD2 2.96Å; V382-H386 PolarHBondContact O-N 3.41Å; V382-E556 HydrophobicContact CG1-CB 4.11Å; V382-E556 HydrophobicContact CG1-CG 4.16Å; V382-Y560 HydrophobicContact CG1-CE2 4.26Å
383	N	91.6	Very high	92	Very high	18 Å²	18	54.6 Å²	54.6	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-35.8	178.3	-174	73.1	0	0	0	112.1	W379 V381 V385 H386 W387 L395	W379-N383 HydrophobicContact CD2-CB 4.41Å; W379-N383 HydrophobicContact CH2-CB 4.24Å; W379-N383 HydrophobicContact CZ2-CB 3.76Å; W379-N383 VanDerWaalsContact CZ2-CG 3.5Å; W379-N383 WeakPolarHBondContact O-CB 3.34Å; W379-N383 PolarHBondContact O-N 3.38Å; V381-N383 PolarHBondContact O-N 3.5Å; N383-V385 VanDerWaalsContact C-N 3.33Å; N383-V385 PolarHBondContact O-N 2.93Å; N383-H386 PolarHBondContact O-N 3.35Å; N383-W387 VanDerWaalsContact ND2-CD1 3.27Å; N383-W387 WeakPolarHBondContact O-CB 3.28Å; N383-W387 VanDerWaalsContact O-CD1 3.28Å; N383-W387 PolarHBondContact O-N 2.84Å; N383-L395 PolarHBondContact OD1-N 3.17Å
384	S	92.7	Very high	91.8	Very high	75 Å²	75	52.4 Å²	52.4	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-37.4	174.6	-60.4	0	0	0	0	112.2	S380 V381 V382 W387 W388	S380-S384 WeakPolarHBondContact O-CB 3.44Å; S380-S384 PolarHBondContact O-N 2.92Å; S380-S384 PolarHBondContact O-OG 2.69Å; V381-S384 WeakPolarHBondContact O-CB 3.33Å; V381-S384 PolarHBondContact O-N 2.77Å; V382-S384 VanDerWaalsContact C-N 3.29Å; V382-S384 PolarHBondContact O-N 2.96Å; S384-W387 PolarHBondContact O-N 2.85Å; S384-W388 WeakPolarHBondContact O-CB 3.41Å; S384-W388 PolarHBondContact O-N 3.49Å
385	V	94.8	Very high	91.3	Very high	32 Å²	32	50.8 Å²	50.8	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-44.7	174.6	177.4	0	0	0	0	110.8	V381 V382 N383 W387 W388 S389 V552	V381-V385 PolarHBondContact O-N 2.92Å; V381-V385 VanDerWaalsContact O-N 3.14Å; V382-V385 WeakPolarHBondContact O-CB 3.12Å; V382-V385 PolarHBondContact O-N 3.34Å; N383-V385 VanDerWaalsContact C-N 3.33Å; N383-V385 PolarHBondContact O-N 2.93Å; V385-W387 PolarHBondContact O-N 2.86Å; V385-W388 PolarHBondContact O-N 3.28Å; V385-S389 PolarHBondContact O-N 3.44Å; V385-S389 PolarHBondContact O-OG 3.27Å; V385-V552 HydrophobicContact CG1-CG2 4.24Å
386	H	92.5	Very high	90.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-40.3	175.6	-69.2	-72.5	0	0	0	112.9	V382 N383 W388 S389 G390 S391 A394 V552 E556	V382-H386 WeakPolarHBondContact CG1-NE2 3.26Å; V382-H386 PolarHBondContact O-CD2 2.96Å; V382-H386 PolarHBondContact O-N 3.41Å; N383-H386 PolarHBondContact O-N 3.35Å; H386-W388 VanDerWaalsContact C-N 3.31Å; H386-S389 PolarHBondContact O-N 3.01Å; H386-S389 PolarHBondContact O-OG 3.33Å; H386-G390 PolarHBondContact O-N 3.45Å; H386-S391 PolarHBondContact ND1-OG 2.95Å; H386-S391 PolarHBondContact O-N 3.13Å; H386-A394 HydrophobicContact CB-CB 3.81Å; H386-V552 VanDerWaalsContact CE1-CG1 3.49Å; H386-V552 WeakPolarHBondContact CE1-CG1 3.36Å; H386-V552 WeakPolarHBondContact ND1-CG1 3.45Å; H386-E556 IonicContact CE1-OE2 2.65Å; H386-E556 PolarHBondContact CE1-OE2 3.4Å; H386-E556 IonicContact NE2-OE2 3.25Å; H386-E556 PolarHBondContact NE2-OE2 2.87Å; H386-E556 VanDerWaalsContact NE2-OE2 3.15Å
387	W	91.3	Very high	90.4	Very high	155 Å²	155	51.2 Å²	51.2	59%	0.587	28%	0.281	S	S	*	.	H	α-helix	trans	-63.5	-39.3	175.4	-93.7	96.9	0	0	0	111.8	N383 S384 V385 G390 A394 L395	N383-W387 VanDerWaalsContact ND2-CD1 3.27Å; N383-W387 WeakPolarHBondContact O-CB 3.28Å; N383-W387 VanDerWaalsContact O-CD1 3.28Å; N383-W387 PolarHBondContact O-N 2.84Å; S384-W387 PolarHBondContact O-N 2.85Å; V385-W387 PolarHBondContact O-N 2.86Å; W387-G390 PolarHBondContact O-N 3.08Å; W387-A394 HydrophobicContact CD2-CB 4.28Å; W387-A394 HydrophobicContact CG-CB 4.04Å; W387-L395 PolarHBondContact NE1-O 2.86Å
388	W	92.5	Very high	90	Very high	200 Å²	200	49.6 Å²	49.6	76%	0.758	28%	0.283	S	S	*	.	H	α-helix	trans	-66.9	-36.9	177.5	178.6	64.5	0	0	0	112.6	S384 V385 H386 L551	S384-W388 WeakPolarHBondContact O-CB 3.41Å; S384-W388 PolarHBondContact O-N 3.49Å; V385-W388 PolarHBondContact O-N 3.28Å; H386-W388 VanDerWaalsContact C-N 3.31Å; W388-L551 HydrophobicContact CZ3-CD1 4.14Å
389	S	90	Very high	89.5	Confident	35 Å²	35	49.7 Å²	49.7	25%	0.245	28%	0.283	C	S	.	.	H	α-helix	trans	-84.1	-9.8	177.2	65.9	0	0	0	0	114.5	Y42 V385 H386 S391 V552	Y42-S389 WeakPolarHBondContact CE1-O 3.4Å; V385-S389 PolarHBondContact O-N 3.44Å; V385-S389 PolarHBondContact O-OG 3.27Å; H386-S389 PolarHBondContact O-N 3.01Å; H386-S389 PolarHBondContact O-OG 3.33Å; S389-S391 VanDerWaalsContact C-N 3.31Å; S389-V552 WeakPolarHBondContact OG-CG2 3.26Å
390	G	90.1	Very high	89.3	Confident	53 Å²	53	49.1 Å²	49.1	55%	0.546	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	22.2	-174.9	0	0	0	0	0	113.8	H386 W387	H386-G390 PolarHBondContact O-N 3.45Å; W387-G390 PolarHBondContact O-N 3.08Å
391	S	92.4	Very high	89.1	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.035	30%	0.298	C	S	.	.			trans	-69.5	145.4	-179.1	176.5	0	0	0	0	112.4	T41 H386 S389 Q393 A394	T41-S391 CarbonylContact O-C 3.56Å; T41-S391 WeakPolarHBondContact O-CA 3.44Å; T41-S391 WeakPolarHBondContact O-CB 3.05Å; T41-S391 PolarHBondContact O-OG 3.35Å; H386-S391 PolarHBondContact ND1-OG 2.95Å; H386-S391 PolarHBondContact O-N 3.13Å; S389-S391 VanDerWaalsContact C-N 3.31Å; S391-Q393 PolarHBondContact O-N 3.43Å; S391-Q393 PolarHBondContact OG-N 3.33Å; S391-A394 WeakPolarHBondContact O-CB 3.43Å; S391-A394 PolarHBondContact O-N 2.89Å
392	T	89.8	Confident	88.7	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.3	175.6	48.7	0	0	0	0	113.7	T41 H43 G68 R70 A394	T41-T392 VanDerWaalsContact CB-OG1 3.31Å; T41-T392 WeakPolarHBondContact CB-OG1 3.19Å; T41-T392 PolarHBondContact O-N 3.3Å; T41-T392 PolarHBondContact O-OG1 2.9Å; T41-T392 VanDerWaalsContact O-OG1 3.12Å; T41-T392 PolarHBondContact OG1-OG1 3.1Å; H43-T392 HydrophobicContact CB-CG2 4.02Å; G68-T392 WeakPolarHBondContact O-CB 3.34Å; G68-T392 PolarHBondContact O-OG1 2.85Å; R70-T392 HydrophobicContact CB-CG2 4.17Å; R70-T392 HydrophobicContact CG-CG2 3.68Å; R70-T392 VanDerWaalsContact CZ-O 3.31Å; R70-T392 PolarHBondContact NH2-O 3.18Å; T392-A394 PolarHBondContact O-N 3.49Å
393	Q	86.9	Confident	88.3	Confident	22 Å²	22	55 Å²	55	10%	0.103	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.1	169.7	-67.2	-55.9	-28.8	0	0	112.9	Q39 T41 D67 S391 L395	Q39-Q393 WeakPolarHBondContact O-CG 3.44Å; T41-Q393 PolarHBondContact OG1-NE2 3.38Å; D67-Q393 PolarHBondContact O-NE2 3.13Å; S391-Q393 PolarHBondContact O-N 3.43Å; S391-Q393 PolarHBondContact OG-N 3.33Å; Q393-L395 PolarHBondContact O-N 3.49Å; Q393-L395 VanDerWaalsContact O-N 3.09Å
394	A	89.9	Confident	88.1	Confident	11 Å²	11	57.8 Å²	57.8	9%	0.091	32%	0.322	C	S	.	.	S	Bend	trans	-61.3	115.7	171.8	0	0	0	0	0	109.8	R70 H386 W387 S391 T392	R70-A394 PolarHBondContact NH2-O 2.86Å; H386-A394 HydrophobicContact CB-CB 3.81Å; W387-A394 HydrophobicContact CD2-CB 4.28Å; W387-A394 HydrophobicContact CG-CB 4.04Å; S391-A394 WeakPolarHBondContact O-CB 3.43Å; S391-A394 PolarHBondContact O-N 2.89Å; T392-A394 PolarHBondContact O-N 3.49Å
395	L	85.4	Confident	87.9	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.073	31%	0.307	C	S	.	.			trans	-75.4	132.6	179.5	-67.4	-179.1	0	0	0	109.8	V65 L66 W379 N383 W387 Q393 T399 V400 L403	V65-L395 HydrophobicContact CG1-CD2 4.27Å; L66-L395 HydrophobicContact CD2-CD1 3.99Å; L66-L395 HydrophobicContact CD2-CD2 4.09Å; W379-L395 HydrophobicContact CZ2-CB 4.37Å; W379-L395 HydrophobicContact CZ2-CD1 4.32Å; N383-L395 PolarHBondContact OD1-N 3.17Å; W387-L395 PolarHBondContact NE1-O 2.86Å; Q393-L395 PolarHBondContact O-N 3.49Å; Q393-L395 VanDerWaalsContact O-N 3.09Å; L395-T399 HydrophobicContact CD2-CG2 4.41Å; L395-V400 HydrophobicContact CB-CG2 4.11Å; L395-L403 HydrophobicContact CD1-CD1 4.32Å
396	P	84	Confident	87.5	Confident	46 Å²	46	55.3 Å²	55.3	30%	0.299	31%	0.311	S	S	.	.			trans	-61.7	146.5	173	-20.4	31.9	0	0	0	110.8	T398 T399 V400	P396-T398 PolarHBondContact O-N 2.76Å; P396-T399 WeakPolarHBondContact O-CB 3.44Å; P396-T399 PolarHBondContact O-N 3.02Å; P396-V400 WeakPolarHBondContact O-CG2 3.35Å; P396-V400 PolarHBondContact O-N 3.05Å
397	A	81	Confident	87.4	Confident	67 Å²	67	58.2 Å²	58.2	55%	0.554	32%	0.322	S	S	*	.	H	α-helix	trans	-52.3	-34	179.6	0	0	0	0	0	113.1	V400 L401	A397-V400 WeakPolarHBondContact O-CB 3.44Å; A397-V400 PolarHBondContact O-N 3.43Å; A397-L401 WeakPolarHBondContact O-CG 3.2Å; A397-L401 PolarHBondContact O-N 3.18Å
398	T	84.1	Confident	87.4	Confident	112 Å²	112	53.8 Å²	53.8	69%	0.687	31%	0.312	S	S	*	.	H	α-helix	trans	-60.2	-45.4	175.7	-46.5	0	0	0	0	112.5	P396 V400 L401 L402	P396-T398 PolarHBondContact O-N 2.76Å; T398-V400 VanDerWaalsContact C-N 3.31Å; T398-V400 PolarHBondContact O-N 3.35Å; T398-L401 PolarHBondContact O-N 3.21Å; T398-L402 WeakPolarHBondContact O-CB 3.38Å; T398-L402 PolarHBondContact O-N 2.82Å
399	T	83.6	Confident	87.4	Confident	17 Å²	17	50.5 Å²	50.5	10%	0.104	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-38.4	178.4	-51.5	0	0	0	0	110.7	L62 V65 L395 P396 L402 L403	L62-T399 HydrophobicContact CD1-CG2 3.79Å; V65-T399 HydrophobicContact CG1-CG2 4.13Å; L395-T399 HydrophobicContact CD2-CG2 4.41Å; P396-T399 WeakPolarHBondContact O-CB 3.44Å; P396-T399 PolarHBondContact O-N 3.02Å; T399-L402 WeakPolarHBondContact O-CB 3.21Å; T399-L402 PolarHBondContact O-N 3.15Å; T399-L403 WeakPolarHBondContact O-CG 3.49Å; T399-L403 PolarHBondContact O-N 3.44Å
400	V	84.6	Confident	87.4	Confident	29 Å²	29	51.8 Å²	51.8	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-49	176.3	-178.7	0	0	0	0	111.2	W379 L395 P396 A397 T398 L402 L403 L404	W379-V400 HydrophobicContact CH2-CB 3.9Å; W379-V400 HydrophobicContact CH2-CG1 3.28Å; W379-V400 HydrophobicContact CH2-CG2 3.28Å; W379-V400 HydrophobicContact CZ2-CB 4.26Å; W379-V400 HydrophobicContact CZ2-CG1 4.03Å; W379-V400 HydrophobicContact CZ2-CG2 3.31Å; W379-V400 HydrophobicContact CZ3-CG1 3.7Å; W379-V400 HydrophobicContact CZ3-CG2 4.45Å; L395-V400 HydrophobicContact CB-CG2 4.11Å; P396-V400 WeakPolarHBondContact O-CG2 3.35Å; P396-V400 PolarHBondContact O-N 3.05Å; A397-V400 WeakPolarHBondContact O-CB 3.44Å; A397-V400 PolarHBondContact O-N 3.43Å; T398-V400 VanDerWaalsContact C-N 3.31Å; T398-V400 PolarHBondContact O-N 3.35Å; V400-L402 VanDerWaalsContact C-N 3.26Å; V400-L402 PolarHBondContact O-N 3.3Å; V400-L403 PolarHBondContact O-N 2.85Å; V400-L404 WeakPolarHBondContact O-CB 3.38Å; V400-L404 PolarHBondContact O-N 3.47Å
401	L	86.5	Confident	87.5	Confident	124 Å²	124	49.5 Å²	49.5	65%	0.649	29%	0.291	S	S	*	.	H	α-helix	trans	-61.7	-35.9	176.4	-71.1	172.7	0	0	0	111.7	A397 T398 G405	A397-L401 WeakPolarHBondContact O-CG 3.2Å; A397-L401 PolarHBondContact O-N 3.18Å; T398-L401 PolarHBondContact O-N 3.21Å; L401-G405 WeakPolarHBondContact O-CA 3.35Å; L401-G405 PolarHBondContact O-N 2.91Å
402	L	86.3	Confident	87.6	Confident	90 Å²	90	52.4 Å²	52.4	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-49.2	174.6	-174.1	160.4	0	0	0	111.5	L62 T398 T399 V400 G405 A406	L62-L402 HydrophobicContact CD1-CD2 4.19Å; L62-L402 HydrophobicContact CD2-CD2 4.03Å; T398-L402 WeakPolarHBondContact O-CB 3.38Å; T398-L402 PolarHBondContact O-N 2.82Å; T399-L402 WeakPolarHBondContact O-CB 3.21Å; T399-L402 PolarHBondContact O-N 3.15Å; V400-L402 VanDerWaalsContact C-N 3.26Å; V400-L402 PolarHBondContact O-N 3.3Å; L402-G405 PolarHBondContact O-N 3.42Å; L402-A406 WeakPolarHBondContact O-CB 3.27Å; L402-A406 PolarHBondContact O-N 2.92Å
403	L	85.3	Confident	87.9	Confident	37 Å²	37	54.1 Å²	54.1	19%	0.194	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-43.2	179.8	-67.4	177.5	0	0	0	112	L66 I334 L395 T399 V400 G405 A406 W407	L66-L403 HydrophobicContact CD2-CD1 4.09Å; I334-L403 HydrophobicContact CD1-CD2 3.89Å; L395-L403 HydrophobicContact CD1-CD1 4.32Å; T399-L403 WeakPolarHBondContact O-CG 3.49Å; T399-L403 PolarHBondContact O-N 3.44Å; V400-L403 PolarHBondContact O-N 2.85Å; L403-G405 VanDerWaalsContact C-N 3.34Å; L403-A406 PolarHBondContact O-N 3.43Å; L403-W407 PolarHBondContact O-N 3.34Å
404	L	86.7	Confident	88.3	Confident	77 Å²	77	55.2 Å²	55.2	40%	0.403	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-43.3	175.1	-171.5	150.6	0	0	0	110.5	F376 V400 A406 W407 V408	F376-L404 HydrophobicContact CE1-CB 4.45Å; V400-L404 WeakPolarHBondContact O-CB 3.38Å; V400-L404 PolarHBondContact O-N 3.47Å; L404-A406 PolarHBondContact O-N 3.12Å; L404-W407 PolarHBondContact O-N 2.96Å; L404-V408 HydrophobicContact CD2-CG2 3.85Å; L404-V408 WeakPolarHBondContact O-CG2 3.4Å; L404-V408 PolarHBondContact O-N 3.41Å
405	G	88.8	Confident	88.7	Confident	20 Å²	20	54.9 Å²	54.9	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-43.9	174	0	0	0	0	0	112.4	L401 L402 L403 W407 V408 L409	L401-G405 WeakPolarHBondContact O-CA 3.35Å; L401-G405 PolarHBondContact O-N 2.91Å; L402-G405 PolarHBondContact O-N 3.42Å; L403-G405 VanDerWaalsContact C-N 3.34Å; G405-W407 VanDerWaalsContact C-N 3.31Å; G405-W407 PolarHBondContact O-N 3.22Å; G405-V408 PolarHBondContact O-N 3.1Å; G405-L409 WeakPolarHBondContact O-CB 3.46Å; G405-L409 VanDerWaalsContact O-CG 3.24Å; G405-L409 WeakPolarHBondContact O-CG 3.41Å; G405-L409 PolarHBondContact O-N 3.34Å
406	A	86.7	Confident	89.2	Confident	34 Å²	34	56 Å²	56	28%	0.281	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-39.6	175.5	0	0	0	0	0	111.8	L402 L403 L404 V410 G411	L402-A406 WeakPolarHBondContact O-CB 3.27Å; L402-A406 PolarHBondContact O-N 2.92Å; L403-A406 PolarHBondContact O-N 3.43Å; L404-A406 PolarHBondContact O-N 3.12Å; A406-V410 WeakPolarHBondContact O-CA 3.48Å; A406-V410 VanDerWaalsContact O-CB 3.25Å; A406-V410 WeakPolarHBondContact O-CB 3.05Å; A406-V410 PolarHBondContact O-N 2.85Å; A406-G411 PolarHBondContact O-N 3.47Å; A406-G411 VanDerWaalsContact O-N 3.13Å
407	W	89.5	Confident	89.9	Confident	66 Å²	66	58.6 Å²	58.6	25%	0.25	34%	0.335	C	S	.	.	I	π-helix	trans	-66.4	-47.6	174.2	179.7	81.3	0	0	0	112.3	S368 S372 F376 L403 L404 G405 G411 F412	S368-W407 WeakPolarHBondContact OG-CZ2 3.29Å; S372-W407 PolarHBondContact OG-NE1 2.93Å; F376-W407 HydrophobicContact CE2-CD2 4.02Å; F376-W407 HydrophobicContact CE2-CE3 4.15Å; F376-W407 HydrophobicContact CE2-CG 4.2Å; F376-W407 HydrophobicContact CZ-CB 4.29Å; F376-W407 HydrophobicContact CZ-CG 4.38Å; L403-W407 PolarHBondContact O-N 3.34Å; L404-W407 PolarHBondContact O-N 2.96Å; G405-W407 VanDerWaalsContact C-N 3.31Å; G405-W407 PolarHBondContact O-N 3.22Å; W407-G411 CarbonylContact O-C 3.52Å; W407-G411 WeakPolarHBondContact O-CA 3.36Å; W407-G411 PolarHBondContact O-N 3Å; W407-G411 VanDerWaalsContact O-N 3.16Å; W407-F412 PolarHBondContact O-N 3.23Å
408	V	91.2	Very high	90.6	Very high	62 Å²	62	55.7 Å²	55.7	38%	0.376	31%	0.312	S	S	.	.	I	π-helix	trans	-70.3	-38.4	-178.5	175.2	0	0	0	0	112.8	L404 G405 P413	L404-V408 HydrophobicContact CD2-CG2 3.85Å; L404-V408 WeakPolarHBondContact O-CG2 3.4Å; L404-V408 PolarHBondContact O-N 3.41Å; G405-V408 PolarHBondContact O-N 3.1Å; V408-P413 WeakPolarHBondContact O-CD 3.28Å; V408-P413 WeakPolarHBondContact O-CG 3.23Å
409	L	91.8	Very high	91.2	Very high	131 Å²	131	50.4 Å²	50.4	69%	0.686	28%	0.279	S	S	*	.	I	π-helix	trans	-93	-24.5	-172.3	-60.6	176.2	0	0	0	113.4	G405 P413	G405-L409 WeakPolarHBondContact O-CB 3.46Å; G405-L409 VanDerWaalsContact O-CG 3.24Å; G405-L409 WeakPolarHBondContact O-CG 3.41Å; G405-L409 PolarHBondContact O-N 3.34Å; L409-P413 WeakPolarHBondContact O-CG 3.35Å
410	V	91.4	Very high	91.9	Very high	62 Å²	62	52.9 Å²	52.9	38%	0.376	29%	0.291	S	S	.	.	I	π-helix	trans	-116.9	-61.4	-179.3	-171.8	0	0	0	0	110.3	A338 A406 F412 P413 L414	A338-V410 HydrophobicContact CB-CG1 4.11Å; A406-V410 WeakPolarHBondContact O-CA 3.48Å; A406-V410 VanDerWaalsContact O-CB 3.25Å; A406-V410 WeakPolarHBondContact O-CB 3.05Å; A406-V410 PolarHBondContact O-N 2.85Å; V410-F412 PolarHBondContact O-N 3.21Å; V410-P413 WeakPolarHBondContact O-CD 3.34Å; V410-L414 HydrophobicContact CG1-CD1 3.95Å; V410-L414 WeakPolarHBondContact O-CB 3.35Å; V410-L414 WeakPolarHBondContact O-CD1 3.36Å; V410-L414 PolarHBondContact O-N 3.12Å
411	G	92	Very high	92.4	Very high	4 Å²	4	54.2 Å²	54.2	4%	0.041	30%	0.299	C	S	.	.	I	π-helix	trans	-59.8	-50.9	-173.2	0	0	0	0	0	114.3	S341 A406 W407 L414 T415	S341-G411 PolarHBondContact OG-O 2.97Å; S341-G411 VanDerWaalsContact OG-O 3.09Å; A406-G411 PolarHBondContact O-N 3.47Å; A406-G411 VanDerWaalsContact O-N 3.13Å; W407-G411 CarbonylContact O-C 3.52Å; W407-G411 WeakPolarHBondContact O-CA 3.36Å; W407-G411 PolarHBondContact O-N 3Å; W407-G411 VanDerWaalsContact O-N 3.16Å; G411-L414 PolarHBondContact O-N 2.76Å; G411-T415 PolarHBondContact O-N 3.08Å; G411-T415 PolarHBondContact O-OG1 3.36Å
412	F	94.7	Very high	92.8	Very high	67 Å²	67	48.3 Å²	48.3	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-48.7	-178.9	177.1	-93.9	0	0	0	112.2	S368 W407 V410 L414 T415 V416	S368-F412 WeakPolarHBondContact OG-CD2 3.36Å; W407-F412 PolarHBondContact O-N 3.23Å; V410-F412 PolarHBondContact O-N 3.21Å; F412-L414 PolarHBondContact O-N 3.37Å; F412-T415 WeakPolarHBondContact O-CB 3.41Å; F412-T415 PolarHBondContact O-N 2.95Å; F412-T415 VanDerWaalsContact O-N 3.12Å; F412-V416 HydrophobicContact CD1-CG2 4.22Å; F412-V416 HydrophobicContact CE1-CG2 3.81Å; F412-V416 HydrophobicContact CE2-CG2 4.41Å; F412-V416 HydrophobicContact CZ-CG2 3.91Å; F412-V416 WeakPolarHBondContact O-CG2 3.37Å; F412-V416 PolarHBondContact O-N 3.01Å
413	P	96.2	Very high	93.2	Very high	45 Å²	45	47.6 Å²	47.6	29%	0.292	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-41.3	174.9	-29.4	38.1	0	0	0	113.5	V408 L409 V410 T415 V416 I417	V408-P413 WeakPolarHBondContact O-CD 3.28Å; V408-P413 WeakPolarHBondContact O-CG 3.23Å; L409-P413 WeakPolarHBondContact O-CG 3.35Å; V410-P413 WeakPolarHBondContact O-CD 3.34Å; P413-T415 VanDerWaalsContact C-N 3.3Å; P413-T415 PolarHBondContact O-N 3.37Å; P413-V416 PolarHBondContact O-N 2.75Å; P413-I417 VanDerWaalsContact O-CG1 3.27Å; P413-I417 WeakPolarHBondContact O-CG1 3.26Å; P413-I417 PolarHBondContact O-N 3.19Å
414	L	95.7	Very high	93.7	Very high	44 Å²	44	51.6 Å²	51.6	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-37.7	175.9	-94.1	74.1	0	0	0	111.7	A338 L339 S341 C342 V410 G411 F412 I417 G418	A338-L414 WeakPolarHBondContact O-CD2 3.28Å; L339-L414 HydrophobicContact CD2-CD2 4.48Å; S341-L414 WeakPolarHBondContact OG-CB 3.26Å; C342-L414 WeakPolarHBondContact CA-O 3.39Å; C342-L414 HydrophobicContact CB-CB 4.43Å; V410-L414 HydrophobicContact CG1-CD1 3.95Å; V410-L414 WeakPolarHBondContact O-CB 3.35Å; V410-L414 WeakPolarHBondContact O-CD1 3.36Å; V410-L414 PolarHBondContact O-N 3.12Å; G411-L414 PolarHBondContact O-N 2.76Å; F412-L414 PolarHBondContact O-N 3.37Å; L414-I417 PolarHBondContact O-N 2.92Å; L414-G418 PolarHBondContact O-N 3.43Å
415	T	96.6	Very high	94	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-43.9	173.2	-54.2	0	0	0	0	111.1	S341 G345 I364 G411 F412 P413 G418 G419	S341-T415 WeakPolarHBondContact CB-OG1 3.28Å; G345-T415 WeakPolarHBondContact CA-O 3.48Å; I364-T415 HydrophobicContact CD1-CG2 4.35Å; I364-T415 HydrophobicContact CG2-CG2 4.43Å; G411-T415 PolarHBondContact O-N 3.08Å; G411-T415 PolarHBondContact O-OG1 3.36Å; F412-T415 WeakPolarHBondContact O-CB 3.41Å; F412-T415 PolarHBondContact O-N 2.95Å; F412-T415 VanDerWaalsContact O-N 3.12Å; P413-T415 VanDerWaalsContact C-N 3.3Å; P413-T415 PolarHBondContact O-N 3.37Å; T415-G418 PolarHBondContact O-N 3.21Å; T415-G419 PolarHBondContact O-N 3.49Å
416	V	97.4	Very high	94	Very high	38 Å²	38	57 Å²	57	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-46.4	176.4	174.6	0	0	0	0	111.2	I364 F412 P413 G418 G419 I420	I364-V416 HydrophobicContact CG2-CG2 3.81Å; F412-V416 HydrophobicContact CD1-CG2 4.22Å; F412-V416 HydrophobicContact CE1-CG2 3.81Å; F412-V416 HydrophobicContact CE2-CG2 4.41Å; F412-V416 HydrophobicContact CZ-CG2 3.91Å; F412-V416 WeakPolarHBondContact O-CG2 3.37Å; F412-V416 PolarHBondContact O-N 3.01Å; P413-V416 PolarHBondContact O-N 2.75Å; V416-G418 PolarHBondContact O-N 2.92Å; V416-G419 CarbonylContact O-C 2.97Å; V416-G419 WeakPolarHBondContact O-CA 3.26Å; V416-G419 PolarHBondContact O-N 2.98Å; V416-G419 VanDerWaalsContact O-N 3.07Å; V416-I420 HydrophobicContact CG1-CD1 3.95Å; V416-I420 HydrophobicContact CG1-CG1 4.44Å; V416-I420 WeakPolarHBondContact O-CG1 3.14Å; V416-I420 PolarHBondContact O-N 2.73Å
417	I	97.2	Very high	94	Very high	100 Å²	100	57.7 Å²	57.7	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-58.8	-48.7	177.1	-68.9	164.9	0	0	0	110.1	P413 L414 G419 I420 V421	P413-I417 VanDerWaalsContact O-CG1 3.27Å; P413-I417 WeakPolarHBondContact O-CG1 3.26Å; P413-I417 PolarHBondContact O-N 3.19Å; L414-I417 PolarHBondContact O-N 2.92Å; I417-G419 PolarHBondContact O-N 2.93Å; I417-I420 PolarHBondContact O-N 3.35Å; I417-V421 WeakPolarHBondContact O-CG2 3.23Å; I417-V421 PolarHBondContact O-N 2.95Å
418	G	96.8	Very high	94	Very high	6 Å²	6	59.4 Å²	59.4	6%	0.062	33%	0.33	C	S	.	.	H	α-helix	trans	-54.9	-43.7	173.4	0	0	0	0	0	111.7	C342 Y346 L414 T415 V416 V421 G422	C342-G418 WeakPolarHBondContact O-CA 3.06Å; Y346-G418 WeakPolarHBondContact CA-O 3.47Å; Y346-G418 VanDerWaalsContact N-C 3.35Å; Y346-G418 PolarHBondContact N-O 3.49Å; L414-G418 PolarHBondContact O-N 3.43Å; T415-G418 PolarHBondContact O-N 3.21Å; V416-G418 PolarHBondContact O-N 2.92Å; G418-V421 PolarHBondContact O-N 3.36Å; G418-G422 PolarHBondContact O-N 3.44Å
419	G	96.8	Very high	93.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-46.8	175.8	0	0	0	0	0	114.5	G345 C349 T415 V416 I417 G422 K423	G345-G419 WeakPolarHBondContact O-CA 3.29Å; C349-G419 VanDerWaalsContact CB-O 3.24Å; C349-G419 WeakPolarHBondContact CB-O 3.4Å; T415-G419 PolarHBondContact O-N 3.49Å; V416-G419 CarbonylContact O-C 2.97Å; V416-G419 WeakPolarHBondContact O-CA 3.26Å; V416-G419 PolarHBondContact O-N 2.98Å; V416-G419 VanDerWaalsContact O-N 3.07Å; I417-G419 PolarHBondContact O-N 2.93Å; G419-G422 PolarHBondContact O-N 3.13Å; G419-K423 WeakPolarHBondContact O-CB 3.42Å; G419-K423 PolarHBondContact O-N 3.33Å
420	I	96.9	Very high	93.5	Very high	70 Å²	70	57.2 Å²	57.2	36%	0.359	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-46	177.8	-66.2	165.5	0	0	0	110.3	W360 V416 I417 G422 K423 N424	W360-I420 HydrophobicContact CH2-CG1 4.05Å; W360-I420 HydrophobicContact CZ3-CG1 4.11Å; V416-I420 HydrophobicContact CG1-CD1 3.95Å; V416-I420 HydrophobicContact CG1-CG1 4.44Å; V416-I420 WeakPolarHBondContact O-CG1 3.14Å; V416-I420 PolarHBondContact O-N 2.73Å; I417-I420 PolarHBondContact O-N 3.35Å; I420-G422 VanDerWaalsContact C-N 3.34Å; I420-G422 PolarHBondContact O-N 2.9Å; I420-K423 PolarHBondContact O-N 2.74Å; I420-N424 WeakPolarHBondContact O-CB 3.3Å; I420-N424 VanDerWaalsContact O-CG 3.28Å; I420-N424 PolarHBondContact O-N 3.09Å
421	V	97.1	Very high	93.2	Very high	56 Å²	56	56.4 Å²	56.4	34%	0.339	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-43.7	176.6	175.5	0	0	0	0	110.8	Y346 I417 G418 N424 R425	Y346-V421 HydrophobicContact CD2-CB 4.46Å; Y346-V421 HydrophobicContact CD2-CG1 4.04Å; Y346-V421 HydrophobicContact CE2-CG1 4.16Å; I417-V421 WeakPolarHBondContact O-CG2 3.23Å; I417-V421 PolarHBondContact O-N 2.95Å; G418-V421 PolarHBondContact O-N 3.36Å; V421-N424 PolarHBondContact O-N 3.02Å; V421-R425 WeakPolarHBondContact O-CB 3.39Å; V421-R425 WeakPolarHBondContact O-CG 3.29Å; V421-R425 PolarHBondContact O-N 3.33Å
422	G	94.9	Very high	92.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-45.7	178.4	0	0	0	0	0	112.4	Y346 S350 G418 G419 I420 A426	Y346-G422 VanDerWaalsContact CD2-CA 3.44Å; S350-G422 WeakPolarHBondContact CA-O 3.31Å; G418-G422 PolarHBondContact O-N 3.44Å; G419-G422 PolarHBondContact O-N 3.13Å; I420-G422 VanDerWaalsContact C-N 3.34Å; I420-G422 PolarHBondContact O-N 2.9Å; G422-A426 WeakPolarHBondContact O-CB 3.44Å; G422-A426 PolarHBondContact O-N 3.46Å
423	K	94.2	Very high	92	Very high	76 Å²	76	56 Å²	56	33%	0.33	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-47.6	176	176.7	-174.8	171	-173	0	112.1	W360 G419 I420 R425 A426	W360-K423 HydrophobicContact CD2-CD 4Å; W360-K423 HydrophobicContact CG-CD 3.95Å; W360-K423 VanDerWaalsContact NE1-NZ 3.16Å; G419-K423 WeakPolarHBondContact O-CB 3.42Å; G419-K423 PolarHBondContact O-N 3.33Å; I420-K423 PolarHBondContact O-N 2.74Å; K423-R425 VanDerWaalsContact C-N 3.31Å; K423-R425 PolarHBondContact O-N 2.98Å; K423-A426 WeakPolarHBondContact O-CB 3.46Å; K423-A426 PolarHBondContact O-N 3.31Å
424	N	94.3	Very high	91.3	Very high	121 Å²	121	64.6 Å²	64.6	65%	0.647	34%	0.342	S	S	*	.	H	α-helix	trans	-72.8	-25.1	-174.5	-69.7	-10.6	0	0	0	113	I420 V421	I420-N424 WeakPolarHBondContact O-CB 3.3Å; I420-N424 VanDerWaalsContact O-CG 3.28Å; I420-N424 PolarHBondContact O-N 3.09Å; V421-N424 PolarHBondContact O-N 3.02Å
425	R	93.2	Very high	90.7	Very high	185 Å²	185	65.3 Å²	65.3	70%	0.698	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.7	175.9	-67.3	-172.9	176	-171.4	-0.3	113.6	V421 K423 G427	V421-R425 WeakPolarHBondContact O-CB 3.39Å; V421-R425 WeakPolarHBondContact O-CG 3.29Å; V421-R425 PolarHBondContact O-N 3.33Å; K423-R425 VanDerWaalsContact C-N 3.31Å; K423-R425 PolarHBondContact O-N 2.98Å; R425-G427 PolarHBondContact O-N 2.87Å
426	A	89.9	Confident	90.1	Very high	24 Å²	24	73.1 Å²	73.1	20%	0.198	38%	0.377	C	S	.	.			trans	-66.4	118.5	-179.6	0	0	0	0	0	110.2	T353 G422 K423	T353-A426 HydrophobicContact CG2-CB 3.67Å; G422-A426 WeakPolarHBondContact O-CB 3.44Å; G422-A426 PolarHBondContact O-N 3.46Å; K423-A426 WeakPolarHBondContact O-CB 3.46Å; K423-A426 PolarHBondContact O-N 3.31Å
427	G	87.2	Confident	89.4	Confident	49 Å²	49	78.8 Å²	78.8	51%	0.505	41%	0.406	S	S	.	.			trans	-75.8	-178.3	165.7	0	0	0	0	0	112	Q354 R425	Q354-G427 VanDerWaalsContact CG-O 3.24Å; Q354-G427 WeakPolarHBondContact CG-O 3.44Å; R425-G427 PolarHBondContact O-N 2.87Å
428	S	88.1	Confident	88.7	Confident	102 Å²	102	80.9 Å²	80.9	71%	0.713	42%	0.417	S	S	*	.			trans	-68.9	148.9	167.9	58.6	0	0	0	0	110.8	Q430	S428-Q430 PolarHBondContact O-N 3.41Å; S428-Q430 VanDerWaalsContact O-N 3.12Å
429	F	89.2	Confident	88.2	Confident	24 Å²	24	83.7 Å²	83.7	11%	0.105	43%	0.434	C	S	.	.			trans	-65	115.2	170.2	-175.6	-96.3	0	0	0	109.8	F286 F288 F351 Q354 I355 A431 W520 L581	F286-F429 HydrophobicContact CB-CE1 4.48Å; F286-F429 AromaticContact CD1-CE1 3.82Å; F286-F429 HydrophobicContact CD1-CE1 3.82Å; F286-F429 HydrophobicContact CD1-CZ 4.14Å; F286-F429 HydrophobicContact CG-CE1 4.49Å; F288-F429 HydrophobicContact CE1-CB 4.43Å; F288-F429 AromaticContact CE1-CD1 3.99Å; F288-F429 HydrophobicContact CE1-CD1 3.99Å; F288-F429 HydrophobicContact CE1-CE1 4.42Å; F288-F429 HydrophobicContact CE1-CG 4.14Å; F288-F429 HydrophobicContact CZ-CB 4.41Å; F288-F429 HydrophobicContact CZ-CD1 4.45Å; F351-F429 HydrophobicContact CE2-CD2 4.32Å; F351-F429 HydrophobicContact CE2-CE2 4.06Å; F351-F429 HydrophobicContact CZ-CE2 4.16Å; Q354-F429 HydrophobicContact CB-CB 4.11Å; Q354-F429 HydrophobicContact CB-CD2 4.42Å; Q354-F429 VanDerWaalsContact O-CB 3.25Å; Q354-F429 WeakPolarHBondContact O-CB 3.22Å; I355-F429 HydrophobicContact CG2-CD2 4.29Å; F429-A431 HydrophobicContact CD1-CB 3.93Å; F429-A431 HydrophobicContact CE1-CB 3.93Å; F429-A431 PolarHBondContact O-N 2.7Å; F429-W520 HydrophobicContact CE1-CH2 4.48Å; F429-W520 AromaticContact CE2-CH2 3.99Å; F429-W520 HydrophobicContact CE2-CH2 3.99Å; F429-W520 AromaticContact CZ-CH2 3.76Å; F429-W520 HydrophobicContact CZ-CH2 3.76Å; F429-W520 HydrophobicContact CZ-CZ2 4.34Å; F429-L581 HydrophobicContact CE2-CD1 4.28Å; F429-L581 HydrophobicContact CZ-CD1 4.02Å
430	Q	84.7	Confident	87.6	Confident	123 Å²	123	88.5 Å²	88.5	58%	0.575	45%	0.452	S	S	*	.			trans	-77.7	87.4	177.2	-64.7	-177.4	-11.7	0	0	110.1	S428 R585	S428-Q430 PolarHBondContact O-N 3.41Å; S428-Q430 VanDerWaalsContact O-N 3.12Å; Q430-R585 PolarHBondContact O-NE 2.89Å
431	A	83.5	Confident	87.1	Confident	45 Å²	45	93.5 Å²	93.5	37%	0.372	47%	0.474	S	S	.	.			trans	-85.2	123.6	168.8	0	0	0	0	0	109.6	F286 F429 C433	F286-A431 HydrophobicContact CB-CB 3.98Å; F286-A431 HydrophobicContact CD1-CB 4.33Å; F286-A431 HydrophobicContact CD2-CB 4.33Å; F286-A431 HydrophobicContact CG-CB 3.94Å; F429-A431 HydrophobicContact CD1-CB 3.93Å; F429-A431 HydrophobicContact CE1-CB 3.93Å; F429-A431 PolarHBondContact O-N 2.7Å; A431-C433 VanDerWaalsContact C-N 3.27Å; A431-C433 PolarHBondContact O-N 2.84Å
432	P	81.4	Confident	86.7	Confident	45 Å²	45	92.7 Å²	92.7	29%	0.292	47%	0.467	S	S	.	.	S	Bend	trans	-58.4	-34.5	172.7	-24.5	32.3	0	0	0	114	F286 R585 R589	F286-P432 HydrophobicContact CE2-CB 4.36Å; F286-P432 HydrophobicContact CE2-CG 4.11Å; F286-P432 HydrophobicContact CZ-CG 3.79Å; P432-R585 HydrophobicContact CG-CG 4.41Å; P432-R589 HydrophobicContact CB-CG 4.04Å; P432-R589 HydrophobicContact CG-CG 3.89Å
433	C	80.3	Confident	86.3	Confident	19 Å²	19	94.8 Å²	94.8	13%	0.128	48%	0.481	C	S	.	.	S	Bend	trans	-123.4	143.7	-177.2	-54.3	0	0	0	0	111	H282 F286 A431	H282-C433 WeakPolarHBondContact O-CB 3.2Å; F286-C433 HydrophobicContact CD2-CB 4.43Å; A431-C433 VanDerWaalsContact C-N 3.27Å; A431-C433 PolarHBondContact O-N 2.84Å
434	R	81.1	Confident	85.8	Confident	225 Å²	225	97.3 Å²	97.3	85%	0.849	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-73.8	139.4	175.1	-174.9	176.1	177.6	175.8	0.5	110.8
435	T	85.1	Confident	85.4	Confident	59 Å²	59	93.4 Å²	93.4	36%	0.362	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-85.3	140.6	177.8	48	0	0	0	0	112.7	T283 F286	T283-T435 WeakPolarHBondContact O-CA 3.29Å; F286-T435 HydrophobicContact CB-CG2 4.08Å
436	R	83	Confident	85.1	Confident	169 Å²	169	87 Å²	87	64%	0.638	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-78.4	153.5	171.8	-79.1	177.9	-179.2	-174	3.5	110.9	T283 R287	T283-R436 HydrophobicContact CG2-CG 4.09Å; T283-R436 PolarHBondContact O-N 3.5Å; R287-R436 PolarHBondContact NH2-O 3.4Å
437	N	82.4	Confident	85.1	Confident	156 Å²	156	94.6 Å²	94.6	83%	0.834	49%	0.489	S	S	*	.	S	Bend	trans	-66.9	-45.4	-179.3	-70.8	-15.4	0	0	0	111.9	R287	R287-N437 PolarHBondContact NH1-O 2.96Å
438	I	83.6	Confident	85	Confident	145 Å²	145	97.9 Å²	97.9	74%	0.744	49%	0.487	S	S	*	.	S	Bend	trans	-91.3	127.3	-177.8	-61.9	164.1	0	0	0	109.2	R287	R287-I438 PolarHBondContact NH2-O 3.46Å
439	P	84.9	Confident	84.8	Confident	65 Å²	65	95.6 Å²	95.6	42%	0.422	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-70.9	137	177.3	27.8	-32.1	0	0	0	111.3	R287 Y517	R287-P439 VanDerWaalsContact NH2-CA 3.34Å; P439-Y517 WeakPolarHBondContact CB-OH 3.38Å
440	R	85.3	Confident	84.8	Confident	100 Å²	100	99.2 Å²	99.2	38%	0.377	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-64.3	144.3	168.4	-175.1	178.8	169.2	117.7	-6.2	111.1	I280 D284 E515	I280-R440 VanDerWaalsContact CD1-NH2 3.31Å; D284-R440 WeakPolarHBondContact OD2-CB 3.45Å; D284-R440 PolarHBondContact OD2-N 2.92Å; R440-E515 IonicContact CZ-OE2 3.68Å; R440-E515 IonicContact NE-OE2 3.65Å; R440-E515 IonicContact NH2-OE2 2.9Å; R440-E515 PolarHBondContact NH2-OE2 3.28Å
441	Q	86.3	Confident	85	Confident	175 Å²	175	95.8 Å²	95.8	82%	0.818	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-70.7	130.9	172.6	-173.6	173.4	4.4	0	0	110.2
442	I	87.3	Confident	85.4	Confident	39 Å²	39	100.1 Å²	100.1	20%	0.2	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-82.6	127.8	179.3	-57.1	171.1	0	0	0	108.3	D516 Y517 R518	I442-D516 HydrophobicContact CG2-CB 4.03Å; I442-Y517 HydrophobicContact CD1-CD1 4.5Å; I442-Y517 HydrophobicContact CD1-CE1 4.04Å; I442-Y517 HydrophobicContact CG1-CD1 4.29Å; I442-Y517 HydrophobicContact CG1-CE1 3.8Å; I442-R518 HydrophobicContact CD1-CG 4.03Å; I442-R518 VanDerWaalsContact CD1-NE 3.27Å
443	P	86.7	Confident	85.8	Confident	44 Å²	44	99.6 Å²	99.6	29%	0.286	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-65	150.3	178.3	24.1	-30.5	0	0	0	111.4	Q445 E515	P443-Q445 PolarHBondContact O-N 3.49Å; P443-Q445 PolarHBondContact O-NE2 3.36Å; P443-E515 HydrophobicContact CG-CB 3.84Å
444	P	85.5	Confident	86.3	Confident	130 Å²	130	99.5 Å²	99.5	84%	0.844	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-59.6	122	179	25.4	-33.3	0	0	0	110.2
445	Q	84.6	Confident	86.8	Confident	38 Å²	38	91.2 Å²	91.2	18%	0.178	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-91.3	141.1	-178.3	-62.9	-59.3	-55.7	0	0	110.9	P443 K449 G514	P443-Q445 PolarHBondContact O-N 3.49Å; P443-Q445 PolarHBondContact O-NE2 3.36Å; Q445-K449 HydrophobicContact CB-CB 4.18Å; Q445-G514 PolarHBondContact NE2-O 2.89Å
446	P	88.1	Confident	87.3	Confident	52 Å²	52	90.5 Å²	90.5	34%	0.338	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-57	156.7	168.2	-25.2	34.4	0	0	0	112.6	Y448 K449	P446-Y448 HydrophobicContact CB-CD1 3.76Å; P446-Y448 HydrophobicContact CB-CE1 3.27Å; P446-Y448 HydrophobicContact CB-CE2 4.27Å; P446-Y448 HydrophobicContact CB-CG 4.43Å; P446-Y448 HydrophobicContact CG-CE1 4.01Å; P446-Y448 PolarHBondContact O-N 2.94Å; P446-Y448 VanDerWaalsContact O-N 3.12Å; P446-K449 PolarHBondContact O-N 3.32Å
447	W	88.4	Confident	87.7	Confident	182 Å²	182	86 Å²	86	69%	0.689	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-56.9	-35.7	-173.3	69.1	-94.5	0	0	0	113.8	K449 H450 V453	W447-K449 PolarHBondContact O-N 3.28Å; W447-H450 WeakPolarHBondContact CA-CD2 3.31Å; W447-H450 WeakPolarHBondContact O-CB 3.24Å; W447-H450 PolarHBondContact O-CD2 3Å; W447-H450 PolarHBondContact O-N 3.35Å; W447-H450 VanDerWaalsContact O-N 3.15Å; W447-V453 HydrophobicContact CE3-CG2 4.15Å; W447-V453 HydrophobicContact CZ3-CG2 4.16Å
448	Y	85.4	Confident	88.1	Confident	119 Å²	119	78.6 Å²	78.6	47%	0.467	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-71.8	-11.9	-177.9	58.7	-99.1	0	0	0	113.8	P446 V453	P446-Y448 HydrophobicContact CB-CD1 3.76Å; P446-Y448 HydrophobicContact CB-CE1 3.27Å; P446-Y448 HydrophobicContact CB-CE2 4.27Å; P446-Y448 HydrophobicContact CB-CG 4.43Å; P446-Y448 HydrophobicContact CG-CE1 4.01Å; P446-Y448 PolarHBondContact O-N 2.94Å; P446-Y448 VanDerWaalsContact O-N 3.12Å; Y448-V453 VanDerWaalsContact O-CG1 3.31Å; Y448-V453 WeakPolarHBondContact O-CG1 3.44Å
449	K	84.4	Confident	88.5	Confident	53 Å²	53	71.7 Å²	71.7	23%	0.23	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-96.9	2.8	173.7	-63.1	-171.8	-179.1	-175.9	0	113.1	Q445 P446 W447 R522	Q445-K449 HydrophobicContact CB-CB 4.18Å; P446-K449 PolarHBondContact O-N 3.32Å; W447-K449 PolarHBondContact O-N 3.28Å; K449-R522 PolarHBondContact O-NH1 2.86Å
450	H	88.6	Confident	88.9	Confident	100 Å²	100	73.7 Å²	73.7	46%	0.463	36%	0.364	S	S	.	.	S	Bend	trans	-67.1	155.7	174.4	-74.6	-51.4	0	0	0	112	W447 I452 V453 H454	W447-H450 WeakPolarHBondContact CA-CD2 3.31Å; W447-H450 WeakPolarHBondContact O-CB 3.24Å; W447-H450 PolarHBondContact O-CD2 3Å; W447-H450 PolarHBondContact O-N 3.35Å; W447-H450 VanDerWaalsContact O-N 3.15Å; H450-I452 VanDerWaalsContact C-N 3.29Å; H450-I452 PolarHBondContact O-N 3.02Å; H450-V453 PolarHBondContact O-N 2.79Å; H450-V453 VanDerWaalsContact O-N 3.14Å; H450-H454 PolarHBondContact O-N 3.29Å
451	T	88.6	Confident	89.1	Confident	51 Å²	51	72 Å²	72	31%	0.313	36%	0.363	S	S	.	.	H	α-helix	trans	-55.3	-40.6	-176.5	-49.7	0	0	0	0	113	V453 H454 M455	T451-V453 PolarHBondContact O-N 3.46Å; T451-H454 PolarHBondContact O-N 2.76Å; T451-M455 HydrophobicContact CG2-CE 4Å; T451-M455 HydrophobicContact CG2-CG 4.43Å; T451-M455 HydrophobicContact CG2-SD 4.14Å; T451-M455 WeakPolarHBondContact O-CB 3.3Å; T451-M455 VanDerWaalsContact O-CG 3.24Å; T451-M455 WeakPolarHBondContact O-CG 3.4Å; T451-M455 PolarHBondContact O-N 3.12Å
452	I	92	Very high	89.3	Confident	136 Å²	136	63.7 Å²	63.7	70%	0.697	32%	0.324	S	S	*	.	H	α-helix	trans	-64.5	-41.5	-178.7	-59.2	173.3	0	0	0	110.9	H450 M455 A456	H450-I452 VanDerWaalsContact C-N 3.29Å; H450-I452 PolarHBondContact O-N 3.02Å; I452-M455 WeakPolarHBondContact O-CB 3.32Å; I452-M455 PolarHBondContact O-N 3.27Å; I452-A456 WeakPolarHBondContact O-CB 3.42Å; I452-A456 PolarHBondContact O-N 3.29Å
453	V	91.4	Very high	89.6	Confident	35 Å²	35	63.2 Å²	63.2	21%	0.212	32%	0.32	C	S	.	.	H	α-helix	trans	-69.3	-40.6	177.9	-177	0	0	0	0	110.4	W447 Y448 H450 T451 M455 A456 I457	W447-V453 HydrophobicContact CE3-CG2 4.15Å; W447-V453 HydrophobicContact CZ3-CG2 4.16Å; Y448-V453 VanDerWaalsContact O-CG1 3.31Å; Y448-V453 WeakPolarHBondContact O-CG1 3.44Å; H450-V453 PolarHBondContact O-N 2.79Å; H450-V453 VanDerWaalsContact O-N 3.14Å; T451-V453 PolarHBondContact O-N 3.46Å; V453-M455 VanDerWaalsContact C-N 3.33Å; V453-M455 PolarHBondContact O-N 3.32Å; V453-A456 PolarHBondContact O-N 3.02Å; V453-I457 HydrophobicContact CG1-CD1 3.87Å; V453-I457 HydrophobicContact CG1-CG1 4.4Å; V453-I457 WeakPolarHBondContact O-CG1 3.42Å; V453-I457 PolarHBondContact O-N 2.8Å
454	H	88.7	Confident	89.7	Confident	16 Å²	16	63.5 Å²	63.5	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-40.4	171.9	-81.1	-165.9	0	0	0	112.7	H450 T451 G458 R522	H450-H454 PolarHBondContact O-N 3.29Å; T451-H454 PolarHBondContact O-N 2.76Å; H454-G458 WeakPolarHBondContact O-CA 3.47Å; H454-G458 PolarHBondContact O-N 3.1Å; H454-R522 PolarHBondContact ND1-NH1 2.72Å
455	M	93.6	Very high	89.8	Confident	52 Å²	52	58.2 Å²	58.2	26%	0.256	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-42.3	174	-72.4	164.2	157.1	0	0	111.2	T451 I452 V453 G459 L525 S529	T451-M455 HydrophobicContact CG2-CE 4Å; T451-M455 HydrophobicContact CG2-CG 4.43Å; T451-M455 HydrophobicContact CG2-SD 4.14Å; T451-M455 WeakPolarHBondContact O-CB 3.3Å; T451-M455 VanDerWaalsContact O-CG 3.24Å; T451-M455 WeakPolarHBondContact O-CG 3.4Å; T451-M455 PolarHBondContact O-N 3.12Å; I452-M455 WeakPolarHBondContact O-CB 3.32Å; I452-M455 PolarHBondContact O-N 3.27Å; V453-M455 VanDerWaalsContact C-N 3.33Å; V453-M455 PolarHBondContact O-N 3.32Å; M455-G459 PolarHBondContact O-N 3.5Å; M455-L525 HydrophobicContact CE-CB 3.5Å; M455-L525 VanDerWaalsContact CE-CB 3.5Å; M455-L525 HydrophobicContact CE-CD1 3.52Å; M455-L525 HydrophobicContact CE-CD2 3.78Å; M455-L525 HydrophobicContact CE-CG 3.75Å; M455-L525 HydrophobicContact CG-CB 4.19Å; M455-L525 WeakPolarHBondContact CG-O 3.16Å; M455-S529 WeakPolarHBondContact O-CB 3.37Å; M455-S529 PolarHBondContact O-OG 3.38Å
456	A	94.1	Very high	89.9	Confident	43 Å²	43	56.8 Å²	56.8	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-49.9	179.6	0	0	0	0	0	111.2	I452 V453 F460 F533	I452-A456 WeakPolarHBondContact O-CB 3.42Å; I452-A456 PolarHBondContact O-N 3.29Å; V453-A456 PolarHBondContact O-N 3.02Å; A456-F460 WeakPolarHBondContact O-CB 3.48Å; A456-F460 PolarHBondContact O-N 3.29Å; A456-F533 WeakPolarHBondContact O-CZ 3.32Å
457	I	91.2	Very high	89.8	Confident	75 Å²	75	56.2 Å²	56.2	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-47.5	178.1	-63.1	169.5	0	0	0	110.6	V453 G459 L461 L507	V453-I457 HydrophobicContact CG1-CD1 3.87Å; V453-I457 HydrophobicContact CG1-CG1 4.4Å; V453-I457 WeakPolarHBondContact O-CG1 3.42Å; V453-I457 PolarHBondContact O-N 2.8Å; I457-G459 VanDerWaalsContact C-N 3.26Å; I457-G459 PolarHBondContact O-N 3.22Å; I457-L461 HydrophobicContact CG2-CD1 4.07Å; I457-L461 PolarHBondContact O-N 3.45Å; I457-L507 HydrophobicContact CG2-CD2 4.28Å
458	G	90.9	Very high	89.6	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-30.9	-177.5	0	0	0	0	0	113.7	H454 P462 S526	H454-G458 WeakPolarHBondContact O-CA 3.47Å; H454-G458 PolarHBondContact O-N 3.1Å; G458-P462 WeakPolarHBondContact O-CD 3.4Å; G458-P462 WeakPolarHBondContact O-CG 3.26Å; G458-S526 CarbonylContact C-O 3.59Å; G458-S526 VanDerWaalsContact CA-O 3.28Å; G458-S526 WeakPolarHBondContact CA-O 3.36Å
459	G	93.3	Very high	89.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-90.6	-39	-179.7	0	0	0	0	0	114	M455 I457 P462 F463 S526 S529 T530	M455-G459 PolarHBondContact O-N 3.5Å; I457-G459 VanDerWaalsContact C-N 3.26Å; I457-G459 PolarHBondContact O-N 3.22Å; G459-P462 WeakPolarHBondContact O-CD 3.49Å; G459-F463 VanDerWaalsContact O-CB 3.3Å; G459-F463 WeakPolarHBondContact O-CB 3.4Å; G459-F463 PolarHBondContact O-N 3.49Å; G459-S526 PolarHBondContact N-O 3.29Å; G459-S529 WeakPolarHBondContact CA-OG 3.47Å; G459-S529 PolarHBondContact N-OG 2.98Å; G459-T530 WeakPolarHBondContact CA-OG1 3.3Å; G459-T530 PolarHBondContact O-OG1 2.99Å
460	F	93.3	Very high	89.5	Confident	107 Å²	107	42.5 Å²	42.5	47%	0.469	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-41.7	-176.8	177.7	-102.6	0	0	0	112.3	A456 F463 S464 F533	A456-F460 WeakPolarHBondContact O-CB 3.48Å; A456-F460 PolarHBondContact O-N 3.29Å; F460-F463 PolarHBondContact O-N 2.88Å; F460-S464 WeakPolarHBondContact O-CB 3.31Å; F460-S464 PolarHBondContact O-N 3Å; F460-S464 PolarHBondContact O-OG 2.99Å; F460-F533 HydrophobicContact CB-CE1 3.93Å; F460-F533 HydrophobicContact CB-CE2 4.3Å; F460-F533 HydrophobicContact CB-CZ 3.77Å; F460-F533 HydrophobicContact CD2-CD1 4.34Å; F460-F533 AromaticContact CD2-CE1 3.96Å; F460-F533 HydrophobicContact CD2-CE1 3.96Å; F460-F533 HydrophobicContact CG-CE1 4.45Å
461	L	88.6	Confident	89.4	Confident	66 Å²	66	41.4 Å²	41.4	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-65.7	-51.4	-176.4	-67	173.8	0	0	0	112.6	I457 F463 S464 A465 I503	I457-L461 HydrophobicContact CG2-CD1 4.07Å; I457-L461 PolarHBondContact O-N 3.45Å; L461-F463 VanDerWaalsContact C-N 3.3Å; L461-F463 PolarHBondContact O-N 3.29Å; L461-S464 PolarHBondContact O-N 3.05Å; L461-S464 PolarHBondContact O-OG 3.31Å; L461-A465 PolarHBondContact O-N 3.37Å; L461-A465 VanDerWaalsContact O-N 3.14Å; L461-I503 HydrophobicContact CB-CD1 4.31Å; L461-I503 HydrophobicContact CB-CG1 4.24Å; L461-I503 HydrophobicContact CD1-CD1 3.53Å; L461-I503 HydrophobicContact CD1-CG1 4.27Å
462	P	91.6	Very high	88.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-38.1	172.8	-18.1	27.7	0	0	0	113	G458 G459 A465 I466 L496 V499 T527 T530	G458-P462 WeakPolarHBondContact O-CD 3.4Å; G458-P462 WeakPolarHBondContact O-CG 3.26Å; G459-P462 WeakPolarHBondContact O-CD 3.49Å; P462-A465 PolarHBondContact O-N 3.48Å; P462-I466 PolarHBondContact O-N 3.08Å; P462-L496 HydrophobicContact CB-CD1 3.99Å; P462-V499 HydrophobicContact CB-CG1 4.27Å; P462-V499 HydrophobicContact CG-CG1 4.31Å; P462-T527 HydrophobicContact CB-CG2 4.42Å; P462-T527 HydrophobicContact CG-CG2 3.82Å; P462-T530 HydrophobicContact CB-CG2 4.3Å
463	F	93.5	Very high	88.5	Confident	29 Å²	29	36.4 Å²	36.4	13%	0.127	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-47.5	174.8	167.3	-102.1	0	0	0	111.9	G459 F460 L461 A465 I466 S467 L470 T530 F533 I534 Y537	G459-F463 VanDerWaalsContact O-CB 3.3Å; G459-F463 WeakPolarHBondContact O-CB 3.4Å; G459-F463 PolarHBondContact O-N 3.49Å; F460-F463 PolarHBondContact O-N 2.88Å; L461-F463 VanDerWaalsContact C-N 3.3Å; L461-F463 PolarHBondContact O-N 3.29Å; F463-A465 VanDerWaalsContact C-N 3.26Å; F463-A465 PolarHBondContact O-N 2.81Å; F463-I466 CarbonylContact O-C 3.51Å; F463-I466 WeakPolarHBondContact O-CG1 3.41Å; F463-I466 PolarHBondContact O-N 3.01Å; F463-I466 VanDerWaalsContact O-N 3.09Å; F463-S467 PolarHBondContact O-N 3.19Å; F463-L470 HydrophobicContact CD2-CD2 4.26Å; F463-L470 HydrophobicContact CE2-CD2 3.79Å; F463-T530 HydrophobicContact CB-CG2 4.19Å; F463-F533 HydrophobicContact CB-CB 3.84Å; F463-F533 HydrophobicContact CB-CG 4.35Å; F463-F533 HydrophobicContact CD1-CB 4.14Å; F463-F533 HydrophobicContact CD1-CD1 4.42Å; F463-F533 HydrophobicContact CD2-CB 3.84Å; F463-F533 HydrophobicContact CE2-CB 4.46Å; F463-F533 HydrophobicContact CG-CB 3.65Å; F463-F533 HydrophobicContact CG-CG 4.39Å; F463-I534 HydrophobicContact CD2-CG1 4.31Å; F463-Y537 HydrophobicContact CE2-CD2 4.26Å; F463-Y537 HydrophobicContact CE2-CG 4.02Å; F463-Y537 AromaticContact CZ-CD2 3.87Å; F463-Y537 HydrophobicContact CZ-CD2 3.87Å; F463-Y537 HydrophobicContact CZ-CG 4.07Å
464	S	88.9	Confident	88.2	Confident	49 Å²	49	35.1 Å²	35.1	34%	0.343	19%	0.187	S	C	.	.	H	α-helix	trans	-60.1	-39.4	-179	71.7	0	0	0	0	111.6	F460 L461 I466 S467	F460-S464 WeakPolarHBondContact O-CB 3.31Å; F460-S464 PolarHBondContact O-N 3Å; F460-S464 PolarHBondContact O-OG 2.99Å; L461-S464 PolarHBondContact O-N 3.05Å; L461-S464 PolarHBondContact O-OG 3.31Å; S464-I466 PolarHBondContact O-N 3.22Å; S464-S467 PolarHBondContact O-N 2.98Å; S464-S467 PolarHBondContact O-OG 3.49Å
465	A	86.1	Confident	87.9	Confident	20 Å²	20	35.2 Å²	35.2	17%	0.165	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-26.5	177.9	0	0	0	0	0	113.6	V238 L461 P462 F463 V499	V238-A465 HydrophobicContact CG1-CB 3.9Å; V238-A465 HydrophobicContact CG2-CB 4.41Å; L461-A465 PolarHBondContact O-N 3.37Å; L461-A465 VanDerWaalsContact O-N 3.14Å; P462-A465 PolarHBondContact O-N 3.48Å; F463-A465 VanDerWaalsContact C-N 3.26Å; F463-A465 PolarHBondContact O-N 2.81Å; A465-V499 HydrophobicContact CB-CG1 4.46Å; A465-V499 HydrophobicContact CB-CG2 4.37Å
466	I	87.8	Confident	87.2	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-110.4	2.3	179.3	66.3	165.4	0	0	0	113.7	P462 F463 S464 V468 E469 L470 V492 L496 I534	P462-I466 PolarHBondContact O-N 3.08Å; F463-I466 CarbonylContact O-C 3.51Å; F463-I466 WeakPolarHBondContact O-CG1 3.41Å; F463-I466 PolarHBondContact O-N 3.01Å; F463-I466 VanDerWaalsContact O-N 3.09Å; S464-I466 PolarHBondContact O-N 3.22Å; I466-V468 VanDerWaalsContact C-N 3.33Å; I466-V468 PolarHBondContact O-N 3.01Å; I466-E469 PolarHBondContact O-N 3.23Å; I466-E469 VanDerWaalsContact O-N 3.1Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 PolarHBondContact O-N 3.48Å; I466-V492 HydrophobicContact CG2-CG1 4.09Å; I466-L496 HydrophobicContact CD1-CD1 4.03Å; I466-L496 HydrophobicContact CD1-CD2 4.2Å; I466-L496 HydrophobicContact CG1-CD1 4.46Å; I466-L496 HydrophobicContact CG2-CB 3.99Å; I466-L496 HydrophobicContact CG2-CD1 3.88Å; I466-L496 HydrophobicContact CG2-CG 4.35Å; I466-I534 HydrophobicContact CD1-CD1 4.49Å
467	S	86.6	Confident	86.6	Confident	39 Å²	39	35.5 Å²	35.5	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-59.4	-38.9	-169	58.8	0	0	0	0	114	F463 S464 Y471	F463-S467 PolarHBondContact O-N 3.19Å; S464-S467 PolarHBondContact O-N 2.98Å; S464-S467 PolarHBondContact O-OG 3.49Å; S467-Y471 PolarHBondContact O-N 3.28Å
468	V	82.4	Confident	86.3	Confident	52 Å²	52	32.6 Å²	32.6	32%	0.315	18%	0.175	S	C	.	.	H	α-helix	trans	-66.7	-44.5	175.8	175.6	0	0	0	0	110.9	I466 L470 Y471 Y472	I466-V468 VanDerWaalsContact C-N 3.33Å; I466-V468 PolarHBondContact O-N 3.01Å; V468-L470 VanDerWaalsContact C-N 3.34Å; V468-Y471 WeakPolarHBondContact O-CB 3.34Å; V468-Y471 PolarHBondContact O-N 3.1Å; V468-Y472 HydrophobicContact CG1-CD2 4.36Å; V468-Y472 HydrophobicContact CG1-CE2 3.85Å; V468-Y472 VanDerWaalsContact O-CD2 3.23Å; V468-Y472 WeakPolarHBondContact O-CD2 3.22Å
469	E	82.9	Confident	85.6	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-69.3	-36.4	179.6	-58.9	-58.6	137.2	0	0	111.8	I231 I466 Y471 Y472 I473 V492	I231-E469 WeakPolarHBondContact CG1-OE1 3.26Å; I231-E469 WeakPolarHBondContact CG2-OE1 3.44Å; I466-E469 PolarHBondContact O-N 3.23Å; I466-E469 VanDerWaalsContact O-N 3.1Å; E469-Y471 VanDerWaalsContact C-N 3.25Å; E469-Y471 PolarHBondContact O-N 3.2Å; E469-Y472 PolarHBondContact O-N 2.88Å; E469-Y472 VanDerWaalsContact O-N 3.1Å; E469-I473 WeakPolarHBondContact O-CG1 3.43Å; E469-I473 PolarHBondContact O-N 2.93Å; E469-V492 HydrophobicContact CB-CG1 3.88Å; E469-V492 HydrophobicContact CB-CG2 4.28Å; E469-V492 HydrophobicContact CG-CB 4.4Å; E469-V492 HydrophobicContact CG-CG1 3.9Å; E469-V492 HydrophobicContact CG-CG2 3.57Å
470	L	85.9	Confident	84.4	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-36.6	176.4	-167.9	66.9	0	0	0	111.2	F463 I466 V468 I473 F474 I534 Y537	F463-L470 HydrophobicContact CD2-CD2 4.26Å; F463-L470 HydrophobicContact CE2-CD2 3.79Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 PolarHBondContact O-N 3.48Å; V468-L470 VanDerWaalsContact C-N 3.34Å; L470-I473 PolarHBondContact O-N 3.3Å; L470-F474 HydrophobicContact CD1-CD2 3.86Å; L470-F474 HydrophobicContact CD1-CE2 3.6Å; L470-F474 HydrophobicContact CD2-CE2 4.44Å; L470-F474 HydrophobicContact CG-CD2 3.88Å; L470-F474 HydrophobicContact CG-CE2 3.85Å; L470-F474 WeakPolarHBondContact O-CB 3.4Å; L470-F474 VanDerWaalsContact O-CD2 3.23Å; L470-F474 WeakPolarHBondContact O-CD2 3.34Å; L470-F474 PolarHBondContact O-N 3.13Å; L470-I534 HydrophobicContact CD1-CG2 4.46Å; L470-I534 HydrophobicContact CD2-CB 4.5Å; L470-I534 HydrophobicContact CD2-CG1 4.02Å; L470-I534 HydrophobicContact CD2-CG2 4.33Å; L470-Y537 HydrophobicContact CD2-CD1 3.54Å; L470-Y537 HydrophobicContact CD2-CE1 4.02Å; L470-Y537 HydrophobicContact CD2-CG 4.03Å; L470-Y537 HydrophobicContact CG-CD1 4.02Å; L470-Y537 HydrophobicContact CG-CE1 4.05Å
471	Y	85.3	Confident	83	Confident	77 Å²	77	33.1 Å²	33.1	30%	0.302	18%	0.184	S	C	.	.	H	α-helix	trans	-57.6	-48.9	172.1	173.5	-99	0	0	0	111.6	S467 V468 E469 F474 A475 Y537 Y541 R545	S467-Y471 PolarHBondContact O-N 3.28Å; V468-Y471 WeakPolarHBondContact O-CB 3.34Å; V468-Y471 PolarHBondContact O-N 3.1Å; E469-Y471 VanDerWaalsContact C-N 3.25Å; E469-Y471 PolarHBondContact O-N 3.2Å; Y471-F474 PolarHBondContact O-N 3.35Å; Y471-A475 WeakPolarHBondContact O-CB 3.33Å; Y471-A475 PolarHBondContact O-N 3.2Å; Y471-Y537 WeakPolarHBondContact CA-OH 3.24Å; Y471-Y537 VanDerWaalsContact CB-OH 3.29Å; Y471-Y537 WeakPolarHBondContact CB-OH 3.4Å; Y471-Y541 HydrophobicContact CD2-CD2 4.17Å; Y471-Y541 AromaticContact CD2-CE2 3.82Å; Y471-Y541 HydrophobicContact CD2-CE2 3.82Å; Y471-Y541 AromaticContact CE2-CE2 3.91Å; Y471-Y541 HydrophobicContact CE2-CE2 3.91Å; Y471-R545 HydrophobicContact CE2-CG 4.44Å
472	Y	79.4	Confident	81.9	Confident	35 Å²	35	35.8 Å²	35.8	14%	0.137	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-36.4	-179.7	-66.1	-62	0	0	0	112.4	L224 I231 V468 E469 A475 T476	L224-Y472 HydrophobicContact CD2-CD1 3.47Å; L224-Y472 VanDerWaalsContact CD2-CD1 3.47Å; L224-Y472 HydrophobicContact CD2-CE1 4Å; L224-Y472 HydrophobicContact CD2-CG 4.47Å; I231-Y472 HydrophobicContact CD1-CD2 4.03Å; I231-Y472 HydrophobicContact CD1-CE2 3.93Å; I231-Y472 HydrophobicContact CG1-CD2 4.19Å; I231-Y472 HydrophobicContact CG1-CE2 3.8Å; V468-Y472 HydrophobicContact CG1-CD2 4.36Å; V468-Y472 HydrophobicContact CG1-CE2 3.85Å; V468-Y472 VanDerWaalsContact O-CD2 3.23Å; V468-Y472 WeakPolarHBondContact O-CD2 3.22Å; E469-Y472 PolarHBondContact O-N 2.88Å; E469-Y472 VanDerWaalsContact O-N 3.1Å; Y472-A475 PolarHBondContact O-N 3.36Å; Y472-T476 WeakPolarHBondContact O-CG2 3.35Å; Y472-T476 PolarHBondContact O-N 3.22Å; Y472-T476 PolarHBondContact O-OG1 3.48Å
473	I	82.8	Confident	80.7	Confident	47 Å²	47	37.5 Å²	37.5	24%	0.241	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-45.7	172.4	-67.4	167.6	0	0	0	110	E469 L470 A475 T476 V477 L489	E469-I473 WeakPolarHBondContact O-CG1 3.43Å; E469-I473 PolarHBondContact O-N 2.93Å; L470-I473 PolarHBondContact O-N 3.3Å; I473-A475 PolarHBondContact O-N 3.01Å; I473-T476 PolarHBondContact O-N 2.9Å; I473-T476 PolarHBondContact O-OG1 3.49Å; I473-V477 HydrophobicContact CG2-CG2 3.98Å; I473-V477 WeakPolarHBondContact O-CB 3.32Å; I473-V477 VanDerWaalsContact O-CG2 3.26Å; I473-V477 WeakPolarHBondContact O-CG2 3.31Å; I473-V477 PolarHBondContact O-N 3.37Å; I473-L489 HydrophobicContact CD1-CD1 4.16Å
474	F	86.3	Confident	79.5	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-41.5	177.7	-90.7	-116.6	0	0	0	112.1	L470 Y471 T476 W478 I534 Y537 S538 Y541 F557	L470-F474 HydrophobicContact CD1-CD2 3.86Å; L470-F474 HydrophobicContact CD1-CE2 3.6Å; L470-F474 HydrophobicContact CD2-CE2 4.44Å; L470-F474 HydrophobicContact CG-CD2 3.88Å; L470-F474 HydrophobicContact CG-CE2 3.85Å; L470-F474 WeakPolarHBondContact O-CB 3.4Å; L470-F474 VanDerWaalsContact O-CD2 3.23Å; L470-F474 WeakPolarHBondContact O-CD2 3.34Å; L470-F474 PolarHBondContact O-N 3.13Å; Y471-F474 PolarHBondContact O-N 3.35Å; F474-T476 PolarHBondContact O-N 3.43Å; F474-W478 AromaticContact CD1-CD1 3.65Å; F474-W478 AromaticContact CD1-NE1 3.8Å; F474-W478 AromaticContact CE1-NE1 3.83Å; F474-W478 VanDerWaalsContact O-CB 3.28Å; F474-W478 WeakPolarHBondContact O-CB 3.31Å; F474-W478 PolarHBondContact O-N 3.26Å; F474-I534 HydrophobicContact CE2-CG2 4.44Å; F474-I534 HydrophobicContact CZ-CG2 4.39Å; F474-Y537 HydrophobicContact CG-CE1 4.41Å; F474-S538 VanDerWaalsContact CE1-CB 3.46Å; F474-Y541 HydrophobicContact CB-CD1 4.45Å; F474-Y541 HydrophobicContact CB-CD2 4.03Å; F474-Y541 HydrophobicContact CB-CE1 4.27Å; F474-Y541 HydrophobicContact CB-CE2 3.81Å; F474-Y541 HydrophobicContact CB-CG 4.35Å; F474-Y541 HydrophobicContact CD1-CD1 4.02Å; F474-Y541 HydrophobicContact CD1-CD2 4.45Å; F474-Y541 HydrophobicContact CD1-CE1 4.5Å; F474-Y541 HydrophobicContact CD1-CG 4Å; F474-F557 HydrophobicContact CD1-CE2 4.24Å; F474-F557 HydrophobicContact CD1-CZ 4.12Å; F474-F557 HydrophobicContact CE1-CE2 4.35Å; F474-F557 AromaticContact CE1-CZ 3.96Å; F474-F557 HydrophobicContact CE1-CZ 3.96Å
475	A	81.6	Confident	78.8	Confident	19 Å²	19	39.6 Å²	39.6	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-29.9	177.4	0	0	0	0	0	113	Y471 Y472 I473 G479 Y541	Y471-A475 WeakPolarHBondContact O-CB 3.33Å; Y471-A475 PolarHBondContact O-N 3.2Å; Y472-A475 PolarHBondContact O-N 3.36Å; I473-A475 PolarHBondContact O-N 3.01Å; A475-G479 WeakPolarHBondContact O-CA 3.35Å; A475-G479 PolarHBondContact O-N 3.48Å; A475-G479 VanDerWaalsContact O-N 3.1Å; A475-Y541 VanDerWaalsContact CA-OH 3.28Å; A475-Y541 WeakPolarHBondContact CA-OH 3.49Å; A475-Y541 PolarHBondContact N-OH 3.21Å
476	T	79.1	Confident	78.6	Confident	16 Å²	16	40.8 Å²	40.8	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-89.1	-44.7	178.6	48.7	0	0	0	0	112.8	L224 Y472 I473 F474 E481 Y483	L224-T476 HydrophobicContact CD1-CG2 3.95Å; Y472-T476 WeakPolarHBondContact O-CG2 3.35Å; Y472-T476 PolarHBondContact O-N 3.22Å; Y472-T476 PolarHBondContact O-OG1 3.48Å; I473-T476 PolarHBondContact O-N 2.9Å; I473-T476 PolarHBondContact O-OG1 3.49Å; F474-T476 PolarHBondContact O-N 3.43Å; T476-E481 CarbonylContact C-O 3.59Å; T476-E481 VanDerWaalsContact CA-O 3.31Å; T476-E481 WeakPolarHBondContact CA-O 3.42Å; T476-E481 VanDerWaalsContact CB-O 3.27Å; T476-E481 WeakPolarHBondContact CB-O 3.43Å; T476-E481 VanDerWaalsContact O-O 3.06Å; T476-Y483 HydrophobicContact CG2-CD2 3.95Å; T476-Y483 HydrophobicContact CG2-CG 4.45Å
477	V	82.1	Confident	78.4	Confident	84 Å²	84	42.3 Å²	42.3	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-65.4	-41.7	178.8	172	0	0	0	0	111.7	I473	I473-V477 HydrophobicContact CG2-CG2 3.98Å; I473-V477 WeakPolarHBondContact O-CB 3.32Å; I473-V477 VanDerWaalsContact O-CG2 3.26Å; I473-V477 WeakPolarHBondContact O-CG2 3.31Å; I473-V477 PolarHBondContact O-N 3.37Å
478	W	85.1	Confident	78.1	Confident	14 Å²	14	42 Å²	42	5%	0.053	22%	0.224	C	C	.	.	S	Bend	trans	-98.9	-11.1	-178.4	-58.6	112.3	0	0	0	113.4	P38 F474 M548 E556 F557 Y560 S561	P38-W478 WeakPolarHBondContact CG-O 3.23Å; F474-W478 AromaticContact CD1-CD1 3.65Å; F474-W478 AromaticContact CD1-NE1 3.8Å; F474-W478 AromaticContact CE1-NE1 3.83Å; F474-W478 VanDerWaalsContact O-CB 3.28Å; F474-W478 WeakPolarHBondContact O-CB 3.31Å; F474-W478 PolarHBondContact O-N 3.26Å; W478-M548 HydrophobicContact CB-CE 3.8Å; W478-M548 WeakPolarHBondContact O-CE 3.42Å; W478-E556 WeakPolarHBondContact CH2-O 3.21Å; W478-E556 HydrophobicContact CZ3-CG 4.42Å; W478-F557 HydrophobicContact CB-CD2 4.34Å; W478-F557 HydrophobicContact CB-CE2 4.31Å; W478-F557 AromaticContact CD1-CD2 3.98Å; W478-F557 AromaticContact CD1-CE2 3.5Å; W478-F557 AromaticContact CD2-CD2 3.48Å; W478-F557 HydrophobicContact CD2-CD2 3.48Å; W478-F557 VanDerWaalsContact CD2-CD2 3.48Å; W478-F557 AromaticContact CD2-CE2 3.86Å; W478-F557 HydrophobicContact CD2-CE2 3.86Å; W478-F557 AromaticContact CE2-CD2 3.63Å; W478-F557 AromaticContact CE2-CE2 3.82Å; W478-F557 AromaticContact CE3-CD2 3.88Å; W478-F557 HydrophobicContact CE3-CD2 3.88Å; W478-F557 AromaticContact CG-CD2 3.7Å; W478-F557 HydrophobicContact CG-CD2 3.7Å; W478-F557 AromaticContact CG-CE2 3.64Å; W478-F557 HydrophobicContact CG-CE2 3.64Å; W478-F557 VanDerWaalsContact CH2-CA 3.42Å; W478-F557 HydrophobicContact CH2-CB 4.44Å; W478-F557 HydrophobicContact CH2-CD2 4.42Å; W478-F557 WeakPolarHBondContact CH2-O 3.45Å; W478-F557 HydrophobicContact CZ2-CD2 4.12Å; W478-F557 WeakPolarHBondContact CZ2-O 3.49Å; W478-F557 HydrophobicContact CZ3-CB 4.36Å; W478-F557 HydrophobicContact CZ3-CD2 4.34Å; W478-F557 AromaticContact NE1-CD2 3.92Å; W478-F557 AromaticContact NE1-CE2 3.58Å; W478-Y560 HydrophobicContact CH2-CD2 4.36Å; W478-S561 WeakPolarHBondContact CZ2-OG 3.37Å
479	G	75.6	Confident	78.2	Confident	24 Å²	24	41.7 Å²	41.7	25%	0.247	22%	0.221	C	C	.	.	S	Bend	trans	-90.5	-158.3	172.3	0	0	0	0	0	112	A475	A475-G479 WeakPolarHBondContact O-CA 3.35Å; A475-G479 PolarHBondContact O-N 3.48Å; A475-G479 VanDerWaalsContact O-N 3.1Å
480	R	66.7	Low	78.5	Confident	52 Å²	52	44.3 Å²	44.3	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-110.9	7.7	-177.4	-57.8	-144	-180	125.9	5.1	113.9	P34 Y35 P38 Y111 F220	P34-R480 PolarHBondContact O-NH2 3.06Å; Y35-R480 VanDerWaalsContact O-CZ 3.26Å; Y35-R480 PolarHBondContact O-NH1 2.96Å; Y35-R480 PolarHBondContact O-NH2 2.98Å; P38-R480 HydrophobicContact CB-CG 3.96Å; P38-R480 HydrophobicContact CG-CG 3.91Å; Y111-R480 VanDerWaalsContact CZ-CZ 3.43Å; F220-R480 HydrophobicContact CD2-CB 3.78Å; F220-R480 HydrophobicContact CE2-CB 4.03Å; F220-R480 HydrophobicContact CE2-CG 4.41Å; F220-R480 HydrophobicContact CG-CB 4.45Å
481	E	64.6	Low	78.6	Confident	43 Å²	43	47 Å²	47	20%	0.201	25%	0.253	C	S	.	.			trans	-108.5	136.1	-179.2	-69.6	-168.6	-164.2	0	0	111.6	K222 L224 T476	K222-E481 WeakPolarHBondContact CA-OE1 3.34Å; L224-E481 HydrophobicContact CD1-CB 4.18Å; L224-E481 WeakPolarHBondContact CD1-OE2 3.41Å; T476-E481 CarbonylContact C-O 3.59Å; T476-E481 VanDerWaalsContact CA-O 3.31Å; T476-E481 WeakPolarHBondContact CA-O 3.42Å; T476-E481 VanDerWaalsContact CB-O 3.27Å; T476-E481 WeakPolarHBondContact CB-O 3.43Å; T476-E481 VanDerWaalsContact O-O 3.06Å
482	H	65.4	Low	78.8	Confident	121 Å²	121	43.9 Å²	43.9	56%	0.56	24%	0.243	S	C	*	.			trans	-81.7	128.9	175.1	-62.7	83.1	0	0	0	110	V323 T484	V323-H482 HydrophobicContact CG1-CB 3.59Å; H482-T484 PolarHBondContact O-N 3.37Å; H482-T484 VanDerWaalsContact O-N 3.16Å
483	Y	66.6	Low	79.4	Confident	37 Å²	37	43.4 Å²	43.4	15%	0.145	24%	0.241	C	C	.	.			trans	-70.2	110.5	173.1	-166.6	-87	0	0	0	110.2	T476 L485 Y486 I488 L489	T476-Y483 HydrophobicContact CG2-CD2 3.95Å; T476-Y483 HydrophobicContact CG2-CG 4.45Å; Y483-L485 HydrophobicContact CD1-CB 4.44Å; Y483-L485 HydrophobicContact CE1-CB 3.73Å; Y483-L485 VanDerWaalsContact CE1-O 3.31Å; Y483-L485 WeakPolarHBondContact CE1-O 3.33Å; Y483-Y486 VanDerWaalsContact O-CE1 3.28Å; Y483-Y486 WeakPolarHBondContact O-CE1 3.36Å; Y483-I488 WeakPolarHBondContact OH-CG2 3.4Å; Y483-L489 HydrophobicContact CE1-CB 4.02Å
484	T	68.1	Low	79.9	Confident	67 Å²	67	43.3 Å²	43.3	41%	0.411	25%	0.248	S	C	.	.			trans	-103	-4.6	-175.4	52.1	0	0	0	0	114.1	H482 Y486	H482-T484 PolarHBondContact O-N 3.37Å; H482-T484 VanDerWaalsContact O-N 3.16Å; T484-Y486 VanDerWaalsContact C-N 3.26Å; T484-Y486 PolarHBondContact O-N 2.83Å
485	L	75.3	Confident	80	Confident	55 Å²	55	43.9 Å²	43.9	29%	0.288	25%	0.251	S	S	.	.			trans	-86.6	55.8	-177.1	-61.5	172.6	0	0	0	112.3	I226 Y483 G487 I488 L489	I226-L485 HydrophobicContact CD1-CD1 4.46Å; I226-L485 HydrophobicContact CG2-CD1 3.94Å; Y483-L485 HydrophobicContact CD1-CB 4.44Å; Y483-L485 HydrophobicContact CE1-CB 3.73Å; Y483-L485 VanDerWaalsContact CE1-O 3.31Å; Y483-L485 WeakPolarHBondContact CE1-O 3.33Å; L485-G487 PolarHBondContact O-N 3.04Å; L485-I488 HydrophobicContact CB-CB 4.36Å; L485-I488 HydrophobicContact CB-CD1 4.19Å; L485-I488 HydrophobicContact CD1-CD1 4.03Å; L485-I488 PolarHBondContact O-N 3.48Å; L485-L489 PolarHBondContact O-N 2.95Å
486	Y	81.9	Confident	80.6	Confident	45 Å²	45	43.2 Å²	43.2	18%	0.176	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-29.3	-174.4	-56.6	-56.1	0	0	0	114.4	A316 V323 Y483 T484 L489 L490	A316-Y486 HydrophobicContact CB-CD1 3.65Å; A316-Y486 HydrophobicContact CB-CD2 3.91Å; A316-Y486 HydrophobicContact CB-CE1 3.89Å; A316-Y486 HydrophobicContact CB-CE2 4.12Å; A316-Y486 HydrophobicContact CB-CG 3.67Å; V323-Y486 VanDerWaalsContact CG2-OH 3.29Å; V323-Y486 WeakPolarHBondContact CG2-OH 3.29Å; Y483-Y486 VanDerWaalsContact O-CE1 3.28Å; Y483-Y486 WeakPolarHBondContact O-CE1 3.36Å; T484-Y486 VanDerWaalsContact C-N 3.26Å; T484-Y486 PolarHBondContact O-N 2.83Å; Y486-L489 PolarHBondContact O-N 3.48Å; Y486-L490 PolarHBondContact O-N 3.31Å
487	G	82.1	Confident	81.3	Confident	40 Å²	40	44 Å²	44	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-64.2	-43.2	175.7	0	0	0	0	0	113.2	L485 L490 C491	L485-G487 PolarHBondContact O-N 3.04Å; G487-L490 PolarHBondContact O-N 3.11Å; G487-C491 PolarHBondContact O-N 3.05Å; G487-C491 PolarHBondContact O-SG 3.15Å; G487-C491 VanDerWaalsContact O-SG 3.4Å
488	I	81.3	Confident	81.9	Confident	31 Å²	31	42.7 Å²	42.7	16%	0.159	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-43.8	175.9	-68.9	173.7	0	0	0	109.5	I231 Y483 L485 L490 C491 V492	I231-I488 HydrophobicContact CG2-CD1 4.07Å; I231-I488 HydrophobicContact CG2-CG2 3.49Å; I231-I488 VanDerWaalsContact CG2-CG2 3.49Å; Y483-I488 WeakPolarHBondContact OH-CG2 3.4Å; L485-I488 HydrophobicContact CB-CB 4.36Å; L485-I488 HydrophobicContact CB-CD1 4.19Å; L485-I488 HydrophobicContact CD1-CD1 4.03Å; L485-I488 PolarHBondContact O-N 3.48Å; I488-L490 VanDerWaalsContact C-N 3.27Å; I488-L490 PolarHBondContact O-N 2.6Å; I488-C491 WeakPolarHBondContact O-CB 3.39Å; I488-C491 PolarHBondContact O-N 3.23Å; I488-V492 HydrophobicContact CG2-CG2 4.08Å; I488-V492 VanDerWaalsContact O-CG2 3.31Å; I488-V492 WeakPolarHBondContact O-CG2 3.3Å; I488-V492 PolarHBondContact O-N 2.98Å
489	L	83.8	Confident	82.2	Confident	46 Å²	46	42.7 Å²	42.7	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-56.1	-41	177.8	-173.6	64.6	0	0	0	112.3	I313 I473 Y483 L485 Y486 F493	I313-L489 HydrophobicContact CD1-CG 4.38Å; I313-L489 HydrophobicContact CG1-CD2 4.2Å; I313-L489 HydrophobicContact CG1-CG 4.48Å; I473-L489 HydrophobicContact CD1-CD1 4.16Å; Y483-L489 HydrophobicContact CE1-CB 4.02Å; L485-L489 PolarHBondContact O-N 2.95Å; Y486-L489 PolarHBondContact O-N 3.48Å; L489-F493 VanDerWaalsContact O-CB 3.26Å; L489-F493 WeakPolarHBondContact O-CB 3.35Å; L489-F493 PolarHBondContact O-N 2.89Å
490	L	89.6	Confident	83.1	Confident	65 Å²	65	41.5 Å²	41.5	34%	0.34	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-45.8	174.7	-179.8	65.7	0	0	0	111.9	I313 L317 Y486 G487 I488 F493 A494	I313-L490 HydrophobicContact CG2-CB 3.72Å; I313-L490 HydrophobicContact CG2-CD1 3.76Å; I313-L490 HydrophobicContact CG2-CG 4.28Å; L317-L490 HydrophobicContact CD1-CB 4.15Å; L317-L490 HydrophobicContact CD1-CD2 3.56Å; L317-L490 HydrophobicContact CD1-CG 4.33Å; Y486-L490 PolarHBondContact O-N 3.31Å; G487-L490 PolarHBondContact O-N 3.11Å; I488-L490 VanDerWaalsContact C-N 3.27Å; I488-L490 PolarHBondContact O-N 2.6Å; L490-F493 PolarHBondContact O-N 3.06Å; L490-A494 WeakPolarHBondContact O-CB 3.45Å; L490-A494 PolarHBondContact O-N 3.02Å
491	C	88.6	Confident	84.5	Confident	60 Å²	60	40.2 Å²	40.2	41%	0.405	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-45.1	179.3	-65.6	0	0	0	0	111.5	L235 G487 I488 F493 A494 I495	L235-C491 HydrophobicContact CD1-CB 3.68Å; G487-C491 PolarHBondContact O-N 3.05Å; G487-C491 PolarHBondContact O-SG 3.15Å; G487-C491 VanDerWaalsContact O-SG 3.4Å; I488-C491 WeakPolarHBondContact O-CB 3.39Å; I488-C491 PolarHBondContact O-N 3.23Å; C491-F493 VanDerWaalsContact C-N 3.35Å; C491-F493 PolarHBondContact O-N 3.15Å; C491-A494 PolarHBondContact O-N 2.89Å; C491-I495 WeakPolarHBondContact O-CB 3.36Å; C491-I495 VanDerWaalsContact O-CG1 3.28Å; C491-I495 WeakPolarHBondContact O-CG1 3.36Å; C491-I495 PolarHBondContact O-N 3.14Å
492	V	88.3	Confident	85.8	Confident	13 Å²	13	39.2 Å²	39.2	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-43.1	177.2	175.7	0	0	0	0	110.9	L235 I466 E469 I488 I495 L496	L235-V492 HydrophobicContact CD1-CG2 4.07Å; I466-V492 HydrophobicContact CG2-CG1 4.09Å; E469-V492 HydrophobicContact CB-CG1 3.88Å; E469-V492 HydrophobicContact CB-CG2 4.28Å; E469-V492 HydrophobicContact CG-CB 4.4Å; E469-V492 HydrophobicContact CG-CG1 3.9Å; E469-V492 HydrophobicContact CG-CG2 3.57Å; I488-V492 HydrophobicContact CG2-CG2 4.08Å; I488-V492 VanDerWaalsContact O-CG2 3.31Å; I488-V492 WeakPolarHBondContact O-CG2 3.3Å; I488-V492 PolarHBondContact O-N 2.98Å; V492-I495 PolarHBondContact O-N 3.11Å; V492-L496 WeakPolarHBondContact O-CB 3.46Å; V492-L496 PolarHBondContact O-N 3.44Å
493	F	92.4	Very high	87.1	Confident	24 Å²	24	34.4 Å²	34.4	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-46.7	175.4	-177.9	-112.6	0	0	0	111.9	L306 A309 I313 L489 L490 C491 I495 L496 L497 M571	L306-F493 HydrophobicContact CD1-CZ 3.9Å; A309-F493 HydrophobicContact CB-CE2 3.91Å; A309-F493 HydrophobicContact CB-CZ 3.8Å; I313-F493 HydrophobicContact CD1-CB 4.03Å; I313-F493 HydrophobicContact CD1-CD1 4Å; I313-F493 HydrophobicContact CD1-CD2 4.42Å; I313-F493 HydrophobicContact CD1-CG 3.91Å; L489-F493 VanDerWaalsContact O-CB 3.26Å; L489-F493 WeakPolarHBondContact O-CB 3.35Å; L489-F493 PolarHBondContact O-N 2.89Å; L490-F493 PolarHBondContact O-N 3.06Å; C491-F493 VanDerWaalsContact C-N 3.35Å; C491-F493 PolarHBondContact O-N 3.15Å; F493-I495 PolarHBondContact O-N 2.99Å; F493-L496 PolarHBondContact O-N 3.33Å; F493-L497 HydrophobicContact CD1-CD1 4.14Å; F493-L497 HydrophobicContact CE1-CD1 3.75Å; F493-L497 HydrophobicContact CZ-CD1 3.96Å; F493-L497 WeakPolarHBondContact O-CG 3.25Å; F493-L497 PolarHBondContact O-N 2.85Å; F493-L497 VanDerWaalsContact O-N 3.13Å; F493-M571 HydrophobicContact CE2-CE 3.93Å; F493-M571 HydrophobicContact CE2-SD 3.81Å; F493-M571 HydrophobicContact CZ-SD 4.23Å
494	A	92.9	Very high	88.4	Confident	46 Å²	46	32.6 Å²	32.6	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-39.8	177.8	0	0	0	0	0	112.7	L490 C491 L497 S498	L490-A494 WeakPolarHBondContact O-CB 3.45Å; L490-A494 PolarHBondContact O-N 3.02Å; C491-A494 PolarHBondContact O-N 2.89Å; A494-L497 PolarHBondContact O-N 2.99Å; A494-S498 WeakPolarHBondContact O-CB 3.32Å; A494-S498 PolarHBondContact O-N 2.98Å; A494-S498 PolarHBondContact O-OG 2.97Å
495	I	90	Very high	89.7	Confident	19 Å²	19	30.4 Å²	30.4	10%	0.097	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-45.9	176.1	-73.1	168.1	0	0	0	110.7	L235 V238 V239 C491 V492 F493 L497 S498 V499	L235-I495 HydrophobicContact CD1-CD1 3.65Å; L235-I495 HydrophobicContact CD2-CD1 4.03Å; L235-I495 HydrophobicContact CG-CD1 3.46Å; L235-I495 VanDerWaalsContact CG-CD1 3.46Å; V238-I495 HydrophobicContact CB-CG2 4.45Å; V238-I495 HydrophobicContact CG1-CG2 3.4Å; V238-I495 VanDerWaalsContact CG1-CG2 3.4Å; V239-I495 HydrophobicContact CG2-CD1 3.69Å; V239-I495 HydrophobicContact CG2-CG1 4.1Å; C491-I495 WeakPolarHBondContact O-CB 3.36Å; C491-I495 VanDerWaalsContact O-CG1 3.28Å; C491-I495 WeakPolarHBondContact O-CG1 3.36Å; C491-I495 PolarHBondContact O-N 3.14Å; V492-I495 PolarHBondContact O-N 3.11Å; F493-I495 PolarHBondContact O-N 2.99Å; I495-L497 VanDerWaalsContact C-N 3.31Å; I495-L497 PolarHBondContact O-N 3.47Å; I495-S498 PolarHBondContact O-N 3.44Å; I495-S498 VanDerWaalsContact O-N 3.12Å; I495-V499 HydrophobicContact CG2-CG2 3.97Å; I495-V499 WeakPolarHBondContact O-CB 3.34Å; I495-V499 VanDerWaalsContact O-CG2 3.3Å; I495-V499 WeakPolarHBondContact O-CG2 3.37Å; I495-V499 PolarHBondContact O-N 3.49Å
496	L	92.6	Very high	90.5	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-56.3	-46.3	178.1	177.5	62	0	0	0	111.7	P462 I466 V492 F493 S498 G500 F568 L572	P462-L496 HydrophobicContact CB-CD1 3.99Å; I466-L496 HydrophobicContact CD1-CD1 4.03Å; I466-L496 HydrophobicContact CD1-CD2 4.2Å; I466-L496 HydrophobicContact CG1-CD1 4.46Å; I466-L496 HydrophobicContact CG2-CB 3.99Å; I466-L496 HydrophobicContact CG2-CD1 3.88Å; I466-L496 HydrophobicContact CG2-CG 4.35Å; V492-L496 WeakPolarHBondContact O-CB 3.46Å; V492-L496 PolarHBondContact O-N 3.44Å; F493-L496 PolarHBondContact O-N 3.33Å; L496-S498 VanDerWaalsContact C-N 3.34Å; L496-G500 PolarHBondContact O-N 2.78Å; L496-F568 HydrophobicContact CD2-CD1 4.07Å; L496-F568 HydrophobicContact CD2-CE1 3.61Å; L496-L572 HydrophobicContact CD1-CD1 4.19Å; L496-L572 HydrophobicContact CD1-CD2 4.3Å; L496-L572 HydrophobicContact CD2-CD1 4.4Å; L496-L572 HydrophobicContact CD2-CD2 4.08Å; L496-L572 HydrophobicContact CG-CD1 4.46Å; L496-L572 HydrophobicContact CG-CD2 3.85Å
497	L	95.2	Very high	90.9	Very high	33 Å²	33	27.2 Å²	27.2	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-41.9	177	-63	177.6	0	0	0	111.8	L306 F493 A494 I495 A501 L572 V575	L306-L497 HydrophobicContact CD1-CD1 3.76Å; L306-L497 HydrophobicContact CD1-CD2 3.6Å; L306-L497 HydrophobicContact CD1-CG 4.35Å; F493-L497 HydrophobicContact CD1-CD1 4.14Å; F493-L497 HydrophobicContact CE1-CD1 3.75Å; F493-L497 HydrophobicContact CZ-CD1 3.96Å; F493-L497 WeakPolarHBondContact O-CG 3.25Å; F493-L497 PolarHBondContact O-N 2.85Å; F493-L497 VanDerWaalsContact O-N 3.13Å; A494-L497 PolarHBondContact O-N 2.99Å; I495-L497 VanDerWaalsContact C-N 3.31Å; I495-L497 PolarHBondContact O-N 3.47Å; L497-A501 WeakPolarHBondContact O-CB 3.28Å; L497-A501 PolarHBondContact O-N 3.15Å; L497-L572 HydrophobicContact CD2-CD2 4.3Å; L497-V575 HydrophobicContact CD2-CG1 4.37Å; L497-V575 HydrophobicContact CD2-CG2 3.65Å
498	S	93.3	Very high	91.5	Very high	55 Å²	55	25.5 Å²	25.5	39%	0.385	16%	0.157	S	C	.	.	H	α-helix	trans	-69.3	-45.9	-178.2	-56.7	0	0	0	0	112.3	A494 I495 L496 G500 A501 C502	A494-S498 WeakPolarHBondContact O-CB 3.32Å; A494-S498 PolarHBondContact O-N 2.98Å; A494-S498 PolarHBondContact O-OG 2.97Å; I495-S498 PolarHBondContact O-N 3.44Å; I495-S498 VanDerWaalsContact O-N 3.12Å; L496-S498 VanDerWaalsContact C-N 3.34Å; S498-G500 VanDerWaalsContact C-N 3.35Å; S498-A501 PolarHBondContact O-N 3.17Å; S498-C502 WeakPolarHBondContact O-CB 3.29Å; S498-C502 PolarHBondContact O-N 3.33Å; S498-C502 PolarHBondContact O-SG 2.96Å
499	V	92.6	Very high	92	Very high	14 Å²	14	24.7 Å²	24.7	9%	0.085	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-47	174.1	173.4	0	0	0	0	109.8	V238 L242 P462 A465 I495 A501 C502 I503	V238-V499 HydrophobicContact CG1-CG2 4.28Å; L242-V499 HydrophobicContact CD1-CG2 3.98Å; L242-V499 HydrophobicContact CD2-CG2 4.3Å; P462-V499 HydrophobicContact CB-CG1 4.27Å; P462-V499 HydrophobicContact CG-CG1 4.31Å; A465-V499 HydrophobicContact CB-CG1 4.46Å; A465-V499 HydrophobicContact CB-CG2 4.37Å; I495-V499 HydrophobicContact CG2-CG2 3.97Å; I495-V499 WeakPolarHBondContact O-CB 3.34Å; I495-V499 VanDerWaalsContact O-CG2 3.3Å; I495-V499 WeakPolarHBondContact O-CG2 3.37Å; I495-V499 PolarHBondContact O-N 3.49Å; V499-A501 PolarHBondContact O-N 3.45Å; V499-C502 PolarHBondContact O-N 3.09Å; V499-I503 HydrophobicContact CG1-CG1 4.27Å; V499-I503 WeakPolarHBondContact O-CB 3.35Å; V499-I503 WeakPolarHBondContact O-CG1 3.41Å; V499-I503 PolarHBondContact O-N 3.01Å
500	G	94.2	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-47.1	177.6	0	0	0	0	0	113	L496 S498 S504 T527	L496-G500 PolarHBondContact O-N 2.78Å; S498-G500 VanDerWaalsContact C-N 3.35Å; G500-S504 WeakPolarHBondContact O-CB 3.31Å; G500-S504 PolarHBondContact O-N 3.34Å; G500-T527 PolarHBondContact O-OG1 3.36Å
501	A	95.1	Very high	92.3	Very high	25 Å²	25	25.3 Å²	25.3	21%	0.207	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-46.8	176.5	0	0	0	0	0	112.3	L497 S498 V499 S504 V505 V575 A579	L497-A501 WeakPolarHBondContact O-CB 3.28Å; L497-A501 PolarHBondContact O-N 3.15Å; S498-A501 PolarHBondContact O-N 3.17Å; V499-A501 PolarHBondContact O-N 3.45Å; A501-S504 PolarHBondContact O-N 3.4Å; A501-V505 WeakPolarHBondContact O-CG2 3.38Å; A501-V505 PolarHBondContact O-N 2.97Å; A501-V575 HydrophobicContact CB-CG1 4.36Å; A501-A579 HydrophobicContact CB-CB 3.81Å
502	C	92.6	Very high	92.3	Very high	22 Å²	22	22.4 Å²	22.4	15%	0.149	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-46.2	-178.9	-67.9	0	0	0	0	112.3	L242 S498 V499 S504 V505 A506	L242-C502 HydrophobicContact CD1-CB 4.03Å; S498-C502 WeakPolarHBondContact O-CB 3.29Å; S498-C502 PolarHBondContact O-N 3.33Å; S498-C502 PolarHBondContact O-SG 2.96Å; V499-C502 PolarHBondContact O-N 3.09Å; C502-S504 VanDerWaalsContact C-N 3.34Å; C502-S504 PolarHBondContact O-N 3.18Å; C502-V505 PolarHBondContact O-N 3.43Å; C502-A506 WeakPolarHBondContact O-CB 3.43Å; C502-A506 PolarHBondContact O-N 2.96Å
503	I	92.8	Very high	92.3	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.097	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-40.8	177.4	-66.1	-57.5	0	0	0	110.9	L461 V499 V505 A506 L507	L461-I503 HydrophobicContact CB-CD1 4.31Å; L461-I503 HydrophobicContact CB-CG1 4.24Å; L461-I503 HydrophobicContact CD1-CD1 3.53Å; L461-I503 HydrophobicContact CD1-CG1 4.27Å; V499-I503 HydrophobicContact CG1-CG1 4.27Å; V499-I503 WeakPolarHBondContact O-CB 3.35Å; V499-I503 WeakPolarHBondContact O-CG1 3.41Å; V499-I503 PolarHBondContact O-N 3.01Å; I503-V505 PolarHBondContact O-N 3.41Å; I503-A506 PolarHBondContact O-N 3.14Å; I503-L507 HydrophobicContact CG2-CD1 3.79Å; I503-L507 HydrophobicContact CG2-CG 4.24Å; I503-L507 WeakPolarHBondContact O-CB 3.44Å; I503-L507 WeakPolarHBondContact O-CG 3.42Å; I503-L507 PolarHBondContact O-N 3.35Å
504	S	94.8	Very high	92	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.3	-169.2	0	0	0	0	112.1	G500 A501 C502 T508 S576 S580	G500-S504 WeakPolarHBondContact O-CB 3.31Å; G500-S504 PolarHBondContact O-N 3.34Å; A501-S504 PolarHBondContact O-N 3.4Å; C502-S504 VanDerWaalsContact C-N 3.34Å; C502-S504 PolarHBondContact O-N 3.18Å; S504-T508 WeakPolarHBondContact O-CB 3.36Å; S504-T508 PolarHBondContact O-N 3.39Å; S504-T508 PolarHBondContact O-OG1 3.26Å; S504-S576 WeakPolarHBondContact OG-CA 3.01Å; S504-S576 VanDerWaalsContact OG-CB 3.3Å; S504-S576 WeakPolarHBondContact OG-CB 3.5Å; S504-S576 PolarHBondContact OG-O 3.23Å; S504-S580 PolarHBondContact OG-OG 3.27Å
505	V	94.2	Very high	91.8	Very high	21 Å²	21	21.8 Å²	21.8	13%	0.127	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-47.9	177.3	172.2	0	0	0	0	110.9	L249 A501 C502 I503 L507 T508 Y509 A579 F583	L249-V505 HydrophobicContact CD2-CB 4.44Å; L249-V505 HydrophobicContact CD2-CG1 3.91Å; A501-V505 WeakPolarHBondContact O-CG2 3.38Å; A501-V505 PolarHBondContact O-N 2.97Å; C502-V505 PolarHBondContact O-N 3.43Å; I503-V505 PolarHBondContact O-N 3.41Å; V505-L507 PolarHBondContact O-N 3.16Å; V505-T508 PolarHBondContact O-N 3.3Å; V505-Y509 WeakPolarHBondContact O-CB 3.46Å; V505-Y509 PolarHBondContact O-N 2.98Å; V505-A579 HydrophobicContact CG2-CB 4.13Å; V505-F583 HydrophobicContact CG1-CB 3.96Å; V505-F583 HydrophobicContact CG1-CD1 3.97Å; V505-F583 HydrophobicContact CG1-CD2 3.59Å; V505-F583 HydrophobicContact CG1-CE1 4.38Å; V505-F583 HydrophobicContact CG1-CE2 4.05Å; V505-F583 HydrophobicContact CG1-CG 3.55Å; V505-F583 HydrophobicContact CG1-CZ 4.42Å; V505-F583 HydrophobicContact CG2-CB 3.99Å; V505-F583 HydrophobicContact CG2-CG 4.47Å
506	A	91.7	Very high	91.8	Very high	15 Å²	15	20.9 Å²	20.9	12%	0.124	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-47.7	179.5	0	0	0	0	0	112.3	L249 C502 I503 T508 Y509 F510	L249-A506 HydrophobicContact CD1-CB 4.1Å; C502-A506 WeakPolarHBondContact O-CB 3.43Å; C502-A506 PolarHBondContact O-N 2.96Å; I503-A506 PolarHBondContact O-N 3.14Å; A506-T508 VanDerWaalsContact C-N 3.34Å; A506-T508 PolarHBondContact O-N 3.26Å; A506-Y509 PolarHBondContact O-N 3.42Å; A506-F510 WeakPolarHBondContact O-CD2 3.39Å; A506-F510 PolarHBondContact O-N 3.39Å
507	L	92.1	Very high	91.7	Very high	18 Å²	18	22.2 Å²	22.2	9%	0.094	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-34.4	178.2	-69	177.2	0	0	0	112.5	I457 I503 V505 L511	I457-L507 HydrophobicContact CG2-CD2 4.28Å; I503-L507 HydrophobicContact CG2-CD1 3.79Å; I503-L507 HydrophobicContact CG2-CG 4.24Å; I503-L507 WeakPolarHBondContact O-CB 3.44Å; I503-L507 WeakPolarHBondContact O-CG 3.42Å; I503-L507 PolarHBondContact O-N 3.35Å; V505-L507 PolarHBondContact O-N 3.16Å; L507-L511 VanDerWaalsContact O-CB 3.3Å; L507-L511 WeakPolarHBondContact O-CB 3.36Å; L507-L511 PolarHBondContact O-N 2.87Å
508	T	93.7	Very high	91.6	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-42.4	174.4	-60	0	0	0	0	110.7	S504 V505 A506 L511 L512 W519 S580 I584	S504-T508 WeakPolarHBondContact O-CB 3.36Å; S504-T508 PolarHBondContact O-N 3.39Å; S504-T508 PolarHBondContact O-OG1 3.26Å; V505-T508 PolarHBondContact O-N 3.3Å; A506-T508 VanDerWaalsContact C-N 3.34Å; A506-T508 PolarHBondContact O-N 3.26Å; T508-L511 WeakPolarHBondContact O-CB 3.49Å; T508-L511 PolarHBondContact O-N 2.73Å; T508-L512 HydrophobicContact CG2-CD1 4.11Å; T508-L512 VanDerWaalsContact O-CG 3.26Å; T508-L512 WeakPolarHBondContact O-CG 3.3Å; T508-L512 PolarHBondContact O-N 3.43Å; T508-W519 HydrophobicContact CG2-CB 4.15Å; T508-S580 WeakPolarHBondContact OG1-CB 3.33Å; T508-S580 PolarHBondContact OG1-OG 3.01Å; T508-I584 HydrophobicContact CG2-CD1 3.68Å; T508-I584 HydrophobicContact CG2-CG1 4.04Å
509	Y	90.8	Very high	91.6	Very high	14 Å²	14	24.2 Å²	24.2	6%	0.055	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-49.7	174.8	167.7	-97	0	0	0	111.4	V252 L253 D256 V505 A506 L511 L512 S513 F583	V252-Y509 HydrophobicContact CG1-CE1 4.19Å; L253-Y509 HydrophobicContact CD2-CD2 3.71Å; L253-Y509 HydrophobicContact CD2-CE2 3.83Å; L253-Y509 HydrophobicContact CD2-CG 4.34Å; D256-Y509 PolarHBondContact OD2-OH 3.48Å; V505-Y509 WeakPolarHBondContact O-CB 3.46Å; V505-Y509 PolarHBondContact O-N 2.98Å; A506-Y509 PolarHBondContact O-N 3.42Å; Y509-L511 PolarHBondContact O-N 2.95Å; Y509-L512 PolarHBondContact O-N 3Å; Y509-L512 VanDerWaalsContact O-N 3.08Å; Y509-S513 PolarHBondContact O-N 2.91Å; Y509-S513 PolarHBondContact O-OG 2.99Å; Y509-F583 HydrophobicContact CD2-CE1 4.5Å; Y509-F583 AromaticContact CD2-CZ 3.97Å; Y509-F583 HydrophobicContact CD2-CZ 3.97Å; Y509-F583 HydrophobicContact CG-CZ 4.29Å
510	F	88.8	Confident	91.8	Very high	117 Å²	117	23.8 Å²	23.8	51%	0.513	12%	0.119	S	C	.	.	H	α-helix	trans	-60.2	-33.7	177.3	-70.8	-48.3	0	0	0	113.7	A506 G514	A506-F510 WeakPolarHBondContact O-CD2 3.39Å; A506-F510 PolarHBondContact O-N 3.39Å; F510-G514 PolarHBondContact O-N 3.36Å
511	L	91	Very high	91.9	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-48.9	173.7	178.8	73.4	0	0	0	111.5	L507 T508 Y509 G514 D516 W519 R522	L507-L511 VanDerWaalsContact O-CB 3.3Å; L507-L511 WeakPolarHBondContact O-CB 3.36Å; L507-L511 PolarHBondContact O-N 2.87Å; T508-L511 WeakPolarHBondContact O-CB 3.49Å; T508-L511 PolarHBondContact O-N 2.73Å; Y509-L511 PolarHBondContact O-N 2.95Å; L511-G514 WeakPolarHBondContact O-CA 3.31Å; L511-G514 PolarHBondContact O-N 2.88Å; L511-G514 VanDerWaalsContact O-N 3.09Å; L511-D516 HydrophobicContact CD1-CB 3.64Å; L511-D516 HydrophobicContact CG-CB 4.1Å; L511-D516 WeakPolarHBondContact CG-O 3.22Å; L511-D516 PolarHBondContact O-N 3.41Å; L511-W519 HydrophobicContact CD2-CB 3.79Å; L511-R522 VanDerWaalsContact CD1-NH1 3.32Å; L511-R522 HydrophobicContact CD2-CB 4.11Å; L511-R522 HydrophobicContact CD2-CG 4.37Å
512	L	90.1	Very high	91.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.8	-38	-179.5	-66.2	170.9	0	0	0	111.8	W278 I281 V285 T508 Y509 G514 E515 I584 I587	W278-L512 WeakPolarHBondContact CA-O 3.38Å; W278-L512 HydrophobicContact CB-CB 3.68Å; I281-L512 HydrophobicContact CD1-CB 4.19Å; I281-L512 HydrophobicContact CD1-CD2 3.54Å; I281-L512 HydrophobicContact CD1-CG 4.48Å; V285-L512 HydrophobicContact CG1-CD2 4.45Å; V285-L512 HydrophobicContact CG2-CD2 4.16Å; T508-L512 HydrophobicContact CG2-CD1 4.11Å; T508-L512 VanDerWaalsContact O-CG 3.26Å; T508-L512 WeakPolarHBondContact O-CG 3.3Å; T508-L512 PolarHBondContact O-N 3.43Å; Y509-L512 PolarHBondContact O-N 3Å; Y509-L512 VanDerWaalsContact O-N 3.08Å; L512-G514 PolarHBondContact O-N 2.95Å; L512-E515 PolarHBondContact O-N 3.29Å; L512-I584 HydrophobicContact CD1-CD1 4.11Å; L512-I584 HydrophobicContact CD1-CG1 3.85Å; L512-I587 HydrophobicContact CD1-CD1 4.12Å
513	S	86.9	Confident	91.9	Very high	37 Å²	37	25.1 Å²	25.1	26%	0.259	12%	0.116	S	C	.	.	H	α-helix	trans	-65	-17.1	172.4	-58.1	0	0	0	0	112.8	Y509 E515	Y509-S513 PolarHBondContact O-N 2.91Å; Y509-S513 PolarHBondContact O-OG 2.99Å; S513-E515 VanDerWaalsContact C-N 3.33Å
514	G	86.7	Confident	92.1	Very high	6 Å²	6	24.6 Å²	24.6	6%	0.062	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	11.2	168.8	0	0	0	0	0	114.5	Q445 F510 L511 L512 D516	Q445-G514 PolarHBondContact NE2-O 2.89Å; F510-G514 PolarHBondContact O-N 3.36Å; L511-G514 WeakPolarHBondContact O-CA 3.31Å; L511-G514 PolarHBondContact O-N 2.88Å; L511-G514 VanDerWaalsContact O-N 3.09Å; L512-G514 PolarHBondContact O-N 2.95Å; G514-D516 PolarHBondContact O-N 3.44Å
515	E	88.7	Confident	92.2	Very high	27 Å²	27	27.6 Å²	27.6	13%	0.126	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	19	-175.6	-59.8	-179.1	-147.9	0	0	114.7	I280 I281 R440 P443 L512 S513	I280-E515 HydrophobicContact CG2-CG 4.02Å; I281-E515 HydrophobicContact CG2-CB 4.12Å; R440-E515 IonicContact CZ-OE2 3.68Å; R440-E515 IonicContact NE-OE2 3.65Å; R440-E515 IonicContact NH2-OE2 2.9Å; R440-E515 PolarHBondContact NH2-OE2 3.28Å; P443-E515 HydrophobicContact CG-CB 3.84Å; L512-E515 PolarHBondContact O-N 3.29Å; S513-E515 VanDerWaalsContact C-N 3.33Å
516	D	90.1	Very high	92.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.125	C	C	.	.			trans	-96.5	106.6	174.1	-169.1	-17.7	0	0	0	110.2	I442 L511 G514 R518 R522	I442-D516 HydrophobicContact CG2-CB 4.03Å; L511-D516 HydrophobicContact CD1-CB 3.64Å; L511-D516 HydrophobicContact CG-CB 4.1Å; L511-D516 WeakPolarHBondContact CG-O 3.22Å; L511-D516 PolarHBondContact O-N 3.41Å; G514-D516 PolarHBondContact O-N 3.44Å; D516-R518 VanDerWaalsContact C-N 3.26Å; D516-R518 PolarHBondContact O-N 2.86Å; D516-R518 WeakPolarHBondContact OD1-CB 3.26Å; D516-R518 WeakPolarHBondContact OD1-CG 3.41Å; D516-R518 IonicContact OD1-CZ 3.39Å; D516-R518 PolarHBondContact OD1-N 3.31Å; D516-R518 IonicContact OD1-NE 3.55Å; D516-R518 PolarHBondContact OD1-NE 2.94Å; D516-R518 IonicContact OD1-NH2 3.66Å; D516-R518 IonicContact OD2-CZ 3.49Å; D516-R518 IonicContact OD2-NE 3.61Å; D516-R518 PolarHBondContact OD2-NE 2.91Å; D516-R518 IonicContact OD2-NH2 3.41Å; D516-R518 PolarHBondContact OD2-NH2 3.37Å; D516-R522 IonicContact OD2-CZ 2.79Å; D516-R522 IonicContact OD2-NE 3.76Å; D516-R522 IonicContact OD2-NH2 3.21Å; D516-R522 PolarHBondContact OD2-NH2 2.82Å
517	Y	91.3	Very high	92.3	Very high	34 Å²	34	26.1 Å²	26.1	13%	0.133	12%	0.119	C	C	.	.			trans	-80.3	1.9	179.9	61.3	-96.4	0	0	0	114.1	D284 P439 I442 W519	D284-Y517 HydrophobicContact CB-CD1 3.83Å; D284-Y517 HydrophobicContact CB-CD2 4.27Å; D284-Y517 HydrophobicContact CB-CE1 4.13Å; D284-Y517 HydrophobicContact CB-CG 3.91Å; P439-Y517 WeakPolarHBondContact CB-OH 3.38Å; I442-Y517 HydrophobicContact CD1-CD1 4.5Å; I442-Y517 HydrophobicContact CD1-CE1 4.04Å; I442-Y517 HydrophobicContact CG1-CD1 4.29Å; I442-Y517 HydrophobicContact CG1-CE1 3.8Å; Y517-W519 PolarHBondContact O-N 2.81Å
518	R	92.3	Very high	92.5	Very high	129 Å²	129	25.3 Å²	25.3	49%	0.487	12%	0.116	S	C	.	.			trans	-82	48	-175.7	-60	175.4	-66	-175.3	-4.1	113.1	I442 D516 R522	I442-R518 HydrophobicContact CD1-CG 4.03Å; I442-R518 VanDerWaalsContact CD1-NE 3.27Å; D516-R518 VanDerWaalsContact C-N 3.26Å; D516-R518 PolarHBondContact O-N 2.86Å; D516-R518 WeakPolarHBondContact OD1-CB 3.26Å; D516-R518 WeakPolarHBondContact OD1-CG 3.41Å; D516-R518 IonicContact OD1-CZ 3.39Å; D516-R518 PolarHBondContact OD1-N 3.31Å; D516-R518 IonicContact OD1-NE 3.55Å; D516-R518 PolarHBondContact OD1-NE 2.94Å; D516-R518 IonicContact OD1-NH2 3.66Å; D516-R518 IonicContact OD2-CZ 3.49Å; D516-R518 IonicContact OD2-NE 3.61Å; D516-R518 PolarHBondContact OD2-NE 2.91Å; D516-R518 IonicContact OD2-NH2 3.41Å; D516-R518 PolarHBondContact OD2-NH2 3.37Å; R518-R522 WeakPolarHBondContact O-CD 3.11Å; R518-R522 WeakPolarHBondContact O-CG 3.21Å
519	W	94.1	Very high	92.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-75.5	-25.6	-174.9	68.7	-92.9	0	0	0	114	V285 T508 L511 Y517 W521 R522 S523 F577 L581 I584	V285-W519 PolarHBondContact O-NE1 3.27Å; T508-W519 HydrophobicContact CG2-CB 4.15Å; L511-W519 HydrophobicContact CD2-CB 3.79Å; Y517-W519 PolarHBondContact O-N 2.81Å; W519-W521 PolarHBondContact O-N 3.41Å; W519-R522 PolarHBondContact O-N 3.36Å; W519-S523 WeakPolarHBondContact O-CB 3.45Å; W519-S523 PolarHBondContact O-N 2.65Å; W519-S523 PolarHBondContact O-OG 2.99Å; W519-F577 HydrophobicContact CH2-CE2 4.02Å; W519-F577 HydrophobicContact CH2-CZ 4.21Å; W519-F577 HydrophobicContact CZ3-CD2 4.1Å; W519-F577 AromaticContact CZ3-CE2 3.71Å; W519-F577 HydrophobicContact CZ3-CE2 3.71Å; W519-F577 HydrophobicContact CZ3-CZ 4.28Å; W519-L581 HydrophobicContact CH2-CB 3.93Å; W519-L581 HydrophobicContact CH2-CD1 3.68Å; W519-L581 HydrophobicContact CH2-CG 4.36Å; W519-L581 HydrophobicContact CZ2-CD1 4.19Å; W519-L581 HydrophobicContact CZ3-CB 4.18Å; W519-I584 HydrophobicContact CB-CD1 4.15Å; W519-I584 HydrophobicContact CD2-CD1 3.1Å; W519-I584 HydrophobicContact CE3-CD1 3.49Å; W519-I584 VanDerWaalsContact CE3-CD1 3.49Å; W519-I584 HydrophobicContact CG-CD1 3.39Å; W519-I584 HydrophobicContact CH2-CD1 4.19Å; W519-I584 HydrophobicContact CZ2-CD1 3.86Å; W519-I584 HydrophobicContact CZ3-CD1 4.02Å
520	W	95.4	Very high	92.9	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-52.4	-57.6	-174.5	-64.5	83.1	0	0	0	113.3	V285 R287 F288 P289 L295 F351 I355 F429 S523 F577	V285-W520 PolarHBondContact O-NE1 3.01Å; R287-W520 PolarHBondContact O-NE1 2.93Å; F288-W520 HydrophobicContact CD1-CH2 4.14Å; F288-W520 HydrophobicContact CD1-CZ2 4.26Å; P289-W520 HydrophobicContact CB-CB 3.74Å; P289-W520 HydrophobicContact CB-CD2 4.4Å; P289-W520 HydrophobicContact CB-CG 3.91Å; P289-W520 HydrophobicContact CG-CB 3.83Å; P289-W520 HydrophobicContact CG-CD2 3.78Å; P289-W520 HydrophobicContact CG-CE3 3.8Å; P289-W520 HydrophobicContact CG-CG 3.8Å; L295-W520 HydrophobicContact CD2-CE3 3.94Å; F351-W520 AromaticContact CE1-CZ3 3.93Å; F351-W520 HydrophobicContact CE1-CZ3 3.93Å; F351-W520 HydrophobicContact CZ-CH2 4.49Å; F351-W520 AromaticContact CZ-CZ3 3.78Å; F351-W520 HydrophobicContact CZ-CZ3 3.78Å; I355-W520 HydrophobicContact CG2-CH2 4.29Å; I355-W520 HydrophobicContact CG2-CZ3 4.29Å; F429-W520 HydrophobicContact CE1-CH2 4.48Å; F429-W520 AromaticContact CE2-CH2 3.99Å; F429-W520 HydrophobicContact CE2-CH2 3.99Å; F429-W520 AromaticContact CZ-CH2 3.76Å; F429-W520 HydrophobicContact CZ-CH2 3.76Å; F429-W520 HydrophobicContact CZ-CZ2 4.34Å; W520-S523 PolarHBondContact O-OG 2.79Å; W520-F577 HydrophobicContact CD2-CE2 4.43Å; W520-F577 AromaticContact CE3-CE2 3.65Å; W520-F577 HydrophobicContact CE3-CE2 3.65Å; W520-F577 AromaticContact CE3-CZ 3.67Å; W520-F577 HydrophobicContact CE3-CZ 3.67Å; W520-F577 HydrophobicContact CZ3-CE2 4.29Å; W520-F577 AromaticContact CZ3-CZ 3.83Å; W520-F577 HydrophobicContact CZ3-CZ 3.83Å
521	W	95.8	Very high	93.2	Very high	51 Å²	51	19.7 Å²	19.7	19%	0.193	9%	0.093	C	C	.	.	H	α-helix	trans	-77.3	-34.8	177.5	-76	107.5	0	0	0	112.4	P290 F291 L294 L295 I298 W519 S523 V524 L525	P290-W521 PolarHBondContact O-NE1 2.94Å; F291-W521 HydrophobicContact CB-CZ2 3.89Å; L294-W521 HydrophobicContact CB-CH2 3.97Å; L294-W521 HydrophobicContact CB-CZ2 4.48Å; L294-W521 HydrophobicContact CD2-CH2 3.83Å; L294-W521 HydrophobicContact CD2-CZ3 4.45Å; L294-W521 HydrophobicContact CG-CH2 3.8Å; L295-W521 HydrophobicContact CB-CH2 3.83Å; L295-W521 HydrophobicContact CB-CZ2 3.73Å; L295-W521 HydrophobicContact CD1-CD2 4.44Å; L295-W521 HydrophobicContact CD1-CE3 4.27Å; L295-W521 HydrophobicContact CD1-CH2 4.29Å; L295-W521 HydrophobicContact CD1-CZ2 4.45Å; L295-W521 HydrophobicContact CD1-CZ3 4.2Å; I298-W521 HydrophobicContact CD1-CH2 4.2Å; I298-W521 HydrophobicContact CD1-CZ3 3.79Å; W519-W521 PolarHBondContact O-N 3.41Å; W521-S523 VanDerWaalsContact C-N 3.29Å; W521-S523 PolarHBondContact O-N 2.83Å; W521-V524 PolarHBondContact O-N 3.24Å; W521-L525 HydrophobicContact CB-CD1 4.46Å; W521-L525 WeakPolarHBondContact O-CB 3.33Å; W521-L525 VanDerWaalsContact O-CG 3.24Å; W521-L525 WeakPolarHBondContact O-CG 3.46Å; W521-L525 PolarHBondContact O-N 3.37Å
522	R	93.9	Very high	93.5	Very high	24 Å²	24	24.7 Å²	24.7	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-34.8	180	-75.1	-177.3	176.6	-125.7	20.7	112.3	K449 H454 L511 D516 R518 W519 S526	K449-R522 PolarHBondContact O-NH1 2.86Å; H454-R522 PolarHBondContact ND1-NH1 2.72Å; L511-R522 VanDerWaalsContact CD1-NH1 3.32Å; L511-R522 HydrophobicContact CD2-CB 4.11Å; L511-R522 HydrophobicContact CD2-CG 4.37Å; D516-R522 IonicContact OD2-CZ 2.79Å; D516-R522 IonicContact OD2-NE 3.76Å; D516-R522 IonicContact OD2-NH2 3.21Å; D516-R522 PolarHBondContact OD2-NH2 2.82Å; R518-R522 WeakPolarHBondContact O-CD 3.11Å; R518-R522 WeakPolarHBondContact O-CG 3.21Å; W519-R522 PolarHBondContact O-N 3.36Å; R522-S526 VanDerWaalsContact O-CB 3.32Å; R522-S526 WeakPolarHBondContact O-CB 3.45Å; R522-S526 PolarHBondContact O-N 3.33Å
523	S	95.6	Very high	93.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-70.3	-40.7	176.4	57.2	0	0	0	0	112.3	W519 W520 W521 L525 S526 S576 S580	W519-S523 WeakPolarHBondContact O-CB 3.45Å; W519-S523 PolarHBondContact O-N 2.65Å; W519-S523 PolarHBondContact O-OG 2.99Å; W520-S523 PolarHBondContact O-OG 2.79Å; W521-S523 VanDerWaalsContact C-N 3.29Å; W521-S523 PolarHBondContact O-N 2.83Å; S523-L525 VanDerWaalsContact C-N 3.35Å; S523-S526 PolarHBondContact O-OG 3.1Å; S523-S576 VanDerWaalsContact O-CB 3.22Å; S523-S576 WeakPolarHBondContact O-CB 3.45Å; S523-S576 PolarHBondContact O-OG 3.33Å; S523-S580 WeakPolarHBondContact CB-OG 3.2Å
524	V	96.6	Very high	94.2	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-44.7	174	175	0	0	0	0	111	L295 I298 W521 S526 G528 G573 F577	L295-V524 HydrophobicContact CD1-CG2 3.62Å; I298-V524 HydrophobicContact CG2-CG1 3.96Å; W521-V524 PolarHBondContact O-N 3.24Å; V524-S526 VanDerWaalsContact C-N 3.34Å; V524-S526 PolarHBondContact O-N 2.64Å; V524-G528 WeakPolarHBondContact O-CA 3.4Å; V524-G528 PolarHBondContact O-N 3.18Å; V524-G528 VanDerWaalsContact O-N 3.13Å; V524-G573 VanDerWaalsContact O-CA 3.31Å; V524-G573 WeakPolarHBondContact O-CA 3.3Å; V524-F577 HydrophobicContact CG2-CB 3.85Å; V524-F577 HydrophobicContact CG2-CD2 3.96Å; V524-F577 HydrophobicContact CG2-CG 4.21Å
525	L	95.5	Very high	94.7	Very high	64 Å²	64	27.9 Å²	27.9	34%	0.335	13%	0.127	S	C	.	.	H	α-helix	trans	-77.8	-17.2	-174.5	-65.3	169.7	0	0	0	113.7	M455 W521 S523 S529	M455-L525 HydrophobicContact CE-CB 3.5Å; M455-L525 VanDerWaalsContact CE-CB 3.5Å; M455-L525 HydrophobicContact CE-CD1 3.52Å; M455-L525 HydrophobicContact CE-CD2 3.78Å; M455-L525 HydrophobicContact CE-CG 3.75Å; M455-L525 HydrophobicContact CG-CB 4.19Å; M455-L525 WeakPolarHBondContact CG-O 3.16Å; W521-L525 HydrophobicContact CB-CD1 4.46Å; W521-L525 WeakPolarHBondContact O-CB 3.33Å; W521-L525 VanDerWaalsContact O-CG 3.24Å; W521-L525 WeakPolarHBondContact O-CG 3.46Å; W521-L525 PolarHBondContact O-N 3.37Å; S523-L525 VanDerWaalsContact C-N 3.35Å; L525-S529 WeakPolarHBondContact O-CB 3.42Å; L525-S529 PolarHBondContact O-N 2.91Å
526	S	93.4	Very high	95	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.028	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-64.7	-177.8	61.7	0	0	0	0	111.7	G458 G459 R522 S523 V524 S529	G458-S526 CarbonylContact C-O 3.59Å; G458-S526 VanDerWaalsContact CA-O 3.28Å; G458-S526 WeakPolarHBondContact CA-O 3.36Å; G459-S526 PolarHBondContact N-O 3.29Å; R522-S526 VanDerWaalsContact O-CB 3.32Å; R522-S526 WeakPolarHBondContact O-CB 3.45Å; R522-S526 PolarHBondContact O-N 3.33Å; S523-S526 PolarHBondContact O-OG 3.1Å; V524-S526 VanDerWaalsContact C-N 3.34Å; V524-S526 PolarHBondContact O-N 2.64Å; S526-S529 PolarHBondContact O-OG 3.29Å
527	T	94.8	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-85.4	-24.4	178.1	-43.5	0	0	0	0	111.3	P462 G500 S529 T530 L572 S576	P462-T527 HydrophobicContact CB-CG2 4.42Å; P462-T527 HydrophobicContact CG-CG2 3.82Å; G500-T527 PolarHBondContact O-OG1 3.36Å; T527-S529 PolarHBondContact O-N 3.23Å; T527-T530 VanDerWaalsContact O-CB 3.26Å; T527-T530 WeakPolarHBondContact O-CB 3.19Å; T527-T530 PolarHBondContact O-N 3.09Å; T527-T530 PolarHBondContact O-OG1 3.36Å; T527-T530 VanDerWaalsContact O-OG1 3.06Å; T527-L572 HydrophobicContact CG2-CB 3.95Å; T527-L572 HydrophobicContact CG2-CD1 4.49Å; T527-S576 WeakPolarHBondContact OG1-CB 3.4Å
528	G	96.1	Very high	95.4	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-31.3	173.7	0	0	0	0	0	112.6	V524 T530 G531 T569	V524-G528 WeakPolarHBondContact O-CA 3.4Å; V524-G528 PolarHBondContact O-N 3.18Å; V524-G528 VanDerWaalsContact O-N 3.13Å; G528-T530 PolarHBondContact O-N 3.12Å; G528-T530 VanDerWaalsContact O-N 3.1Å; G528-G531 PolarHBondContact O-N 3.3Å; G528-T569 WeakPolarHBondContact O-CA 3.36Å; G528-T569 WeakPolarHBondContact O-CG2 3.23Å; G528-T569 PolarHBondContact O-OG1 3.24Å
529	S	96.8	Very high	95.6	Very high	15 Å²	15	27.8 Å²	27.8	11%	0.105	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.4	176.3	66.5	0	0	0	0	114.1	M455 G459 L525 S526 T527 G531 L532 F533	M455-S529 WeakPolarHBondContact O-CB 3.37Å; M455-S529 PolarHBondContact O-OG 3.38Å; G459-S529 WeakPolarHBondContact CA-OG 3.47Å; G459-S529 PolarHBondContact N-OG 2.98Å; L525-S529 WeakPolarHBondContact O-CB 3.42Å; L525-S529 PolarHBondContact O-N 2.91Å; S526-S529 PolarHBondContact O-OG 3.29Å; T527-S529 PolarHBondContact O-N 3.23Å; S529-G531 PolarHBondContact O-N 2.87Å; S529-G531 VanDerWaalsContact O-N 3.15Å; S529-L532 VanDerWaalsContact O-CB 3.31Å; S529-L532 WeakPolarHBondContact O-CB 3.48Å; S529-L532 PolarHBondContact O-N 3.35Å; S529-F533 WeakPolarHBondContact O-CD2 3.01Å; S529-F533 PolarHBondContact O-N 3.5Å
530	T	96.4	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-53.4	-32.8	171.4	-64.2	0	0	0	0	111.7	G459 P462 F463 T527 G528 L532 F533 I534 L572	G459-T530 WeakPolarHBondContact CA-OG1 3.3Å; G459-T530 PolarHBondContact O-OG1 2.99Å; P462-T530 HydrophobicContact CB-CG2 4.3Å; F463-T530 HydrophobicContact CB-CG2 4.19Å; T527-T530 VanDerWaalsContact O-CB 3.26Å; T527-T530 WeakPolarHBondContact O-CB 3.19Å; T527-T530 PolarHBondContact O-N 3.09Å; T527-T530 PolarHBondContact O-OG1 3.36Å; T527-T530 VanDerWaalsContact O-OG1 3.06Å; G528-T530 PolarHBondContact O-N 3.12Å; G528-T530 VanDerWaalsContact O-N 3.1Å; T530-L532 VanDerWaalsContact C-N 3.29Å; T530-L532 PolarHBondContact O-N 3.47Å; T530-F533 PolarHBondContact O-N 2.94Å; T530-F533 VanDerWaalsContact O-N 3.15Å; T530-I534 HydrophobicContact CG2-CD1 4.13Å; T530-I534 HydrophobicContact CG2-CG1 4.44Å; T530-I534 WeakPolarHBondContact O-CG1 3.29Å; T530-I534 PolarHBondContact O-N 3.44Å; T530-L572 HydrophobicContact CG2-CD1 3.7Å
531	G	96.4	Very high	95.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-36.9	174.2	0	0	0	0	0	113.5	G528 S529 I534 F535 A565	G528-G531 PolarHBondContact O-N 3.3Å; S529-G531 PolarHBondContact O-N 2.87Å; S529-G531 VanDerWaalsContact O-N 3.15Å; G531-I534 PolarHBondContact O-N 3.27Å; G531-F535 PolarHBondContact O-N 3.48Å; G531-A565 WeakPolarHBondContact CA-O 3.16Å; G531-A565 WeakPolarHBondContact O-CB 3.45Å
532	L	96.1	Very high	95.3	Very high	112 Å²	112	32 Å²	32	59%	0.586	16%	0.162	S	C	*	.	H	α-helix	trans	-64.3	-42.2	174.8	-180	64.7	0	0	0	111.3	S529 T530 I534 F535 V536	S529-L532 VanDerWaalsContact O-CB 3.31Å; S529-L532 WeakPolarHBondContact O-CB 3.48Å; S529-L532 PolarHBondContact O-N 3.35Å; T530-L532 VanDerWaalsContact C-N 3.29Å; T530-L532 PolarHBondContact O-N 3.47Å; L532-I534 VanDerWaalsContact C-N 3.33Å; L532-I534 PolarHBondContact O-N 2.88Å; L532-F535 PolarHBondContact O-N 3.42Å; L532-V536 WeakPolarHBondContact O-CG2 3.34Å; L532-V536 PolarHBondContact O-N 2.88Å
533	F	96.3	Very high	95.2	Very high	50 Å²	50	40.8 Å²	40.8	22%	0.219	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-38.6	176.1	-73	-86.2	0	0	0	112	A456 F460 F463 S529 T530 F535 V536 Y537	A456-F533 WeakPolarHBondContact O-CZ 3.32Å; F460-F533 HydrophobicContact CB-CE1 3.93Å; F460-F533 HydrophobicContact CB-CE2 4.3Å; F460-F533 HydrophobicContact CB-CZ 3.77Å; F460-F533 HydrophobicContact CD2-CD1 4.34Å; F460-F533 AromaticContact CD2-CE1 3.96Å; F460-F533 HydrophobicContact CD2-CE1 3.96Å; F460-F533 HydrophobicContact CG-CE1 4.45Å; F463-F533 HydrophobicContact CB-CB 3.84Å; F463-F533 HydrophobicContact CB-CG 4.35Å; F463-F533 HydrophobicContact CD1-CB 4.14Å; F463-F533 HydrophobicContact CD1-CD1 4.42Å; F463-F533 HydrophobicContact CD2-CB 3.84Å; F463-F533 HydrophobicContact CE2-CB 4.46Å; F463-F533 HydrophobicContact CG-CB 3.65Å; F463-F533 HydrophobicContact CG-CG 4.39Å; S529-F533 WeakPolarHBondContact O-CD2 3.01Å; S529-F533 PolarHBondContact O-N 3.5Å; T530-F533 PolarHBondContact O-N 2.94Å; T530-F533 VanDerWaalsContact O-N 3.15Å; F533-F535 VanDerWaalsContact C-N 3.32Å; F533-F535 PolarHBondContact O-N 2.79Å; F533-V536 PolarHBondContact O-N 3.34Å; F533-Y537 WeakPolarHBondContact O-CB 3.27Å; F533-Y537 PolarHBondContact O-N 2.89Å
534	I	95.9	Very high	95	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-41.5	173.6	-67.7	169.3	0	0	0	110.8	F463 I466 L470 F474 T530 G531 L532 Y537 S538 F568	F463-I534 HydrophobicContact CD2-CG1 4.31Å; I466-I534 HydrophobicContact CD1-CD1 4.49Å; L470-I534 HydrophobicContact CD1-CG2 4.46Å; L470-I534 HydrophobicContact CD2-CB 4.5Å; L470-I534 HydrophobicContact CD2-CG1 4.02Å; L470-I534 HydrophobicContact CD2-CG2 4.33Å; F474-I534 HydrophobicContact CE2-CG2 4.44Å; F474-I534 HydrophobicContact CZ-CG2 4.39Å; T530-I534 HydrophobicContact CG2-CD1 4.13Å; T530-I534 HydrophobicContact CG2-CG1 4.44Å; T530-I534 WeakPolarHBondContact O-CG1 3.29Å; T530-I534 PolarHBondContact O-N 3.44Å; G531-I534 PolarHBondContact O-N 3.27Å; L532-I534 VanDerWaalsContact C-N 3.33Å; L532-I534 PolarHBondContact O-N 2.88Å; I534-Y537 WeakPolarHBondContact O-CB 3.38Å; I534-Y537 PolarHBondContact O-N 3.49Å; I534-S538 PolarHBondContact O-N 3.38Å; I534-F568 HydrophobicContact CD1-CB 3.86Å; I534-F568 HydrophobicContact CD1-CD1 3.73Å; I534-F568 HydrophobicContact CD1-CD2 3.8Å; I534-F568 HydrophobicContact CD1-CE1 4.19Å; I534-F568 HydrophobicContact CD1-CE2 4.27Å; I534-F568 HydrophobicContact CD1-CG 3.51Å; I534-F568 HydrophobicContact CD1-CZ 4.44Å
535	F	96.4	Very high	94.6	Very high	58 Å²	58	52 Å²	52	25%	0.254	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-39.3	176.7	-173	-106.3	0	0	0	112.9	G531 L532 F533 Y537 S538 V539 F558 L562 A565	G531-F535 PolarHBondContact O-N 3.48Å; L532-F535 PolarHBondContact O-N 3.42Å; F533-F535 VanDerWaalsContact C-N 3.32Å; F533-F535 PolarHBondContact O-N 2.79Å; F535-Y537 VanDerWaalsContact C-N 3.27Å; F535-Y537 PolarHBondContact O-N 2.95Å; F535-S538 PolarHBondContact O-N 3.41Å; F535-S538 PolarHBondContact O-OG 2.95Å; F535-V539 PolarHBondContact O-N 3.47Å; F535-F558 HydrophobicContact CE2-CD1 4.48Å; F535-L562 HydrophobicContact CD2-CB 4.21Å; F535-L562 HydrophobicContact CD2-CD1 4.14Å; F535-L562 HydrophobicContact CE2-CB 3.83Å; F535-L562 HydrophobicContact CE2-CD1 4.03Å; F535-L562 HydrophobicContact CZ-CD1 4.34Å; F535-A565 HydrophobicContact CB-CB 3.91Å
536	V	96	Very high	94.2	Very high	89 Å²	89	49.9 Å²	49.9	54%	0.539	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-39.6	172.7	172.2	0	0	0	0	110.5	L532 F533 S538 V539 F540	L532-V536 WeakPolarHBondContact O-CG2 3.34Å; L532-V536 PolarHBondContact O-N 2.88Å; F533-V536 PolarHBondContact O-N 3.34Å; V536-S538 VanDerWaalsContact C-N 3.34Å; V536-S538 PolarHBondContact O-N 3.49Å; V536-V539 WeakPolarHBondContact O-CB 3.33Å; V536-V539 PolarHBondContact O-N 3.28Å; V536-F540 PolarHBondContact O-N 2.86Å; V536-F540 VanDerWaalsContact O-N 3.11Å
537	Y	94.9	Very high	93.9	Very high	31 Å²	31	53.4 Å²	53.4	12%	0.122	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-37.8	173.9	-179.5	-96.7	0	0	0	112.3	F463 L470 Y471 F474 F533 I534 F535 V539 F540 Y541	F463-Y537 HydrophobicContact CE2-CD2 4.26Å; F463-Y537 HydrophobicContact CE2-CG 4.02Å; F463-Y537 AromaticContact CZ-CD2 3.87Å; F463-Y537 HydrophobicContact CZ-CD2 3.87Å; F463-Y537 HydrophobicContact CZ-CG 4.07Å; L470-Y537 HydrophobicContact CD2-CD1 3.54Å; L470-Y537 HydrophobicContact CD2-CE1 4.02Å; L470-Y537 HydrophobicContact CD2-CG 4.03Å; L470-Y537 HydrophobicContact CG-CD1 4.02Å; L470-Y537 HydrophobicContact CG-CE1 4.05Å; Y471-Y537 WeakPolarHBondContact CA-OH 3.24Å; Y471-Y537 VanDerWaalsContact CB-OH 3.29Å; Y471-Y537 WeakPolarHBondContact CB-OH 3.4Å; F474-Y537 HydrophobicContact CG-CE1 4.41Å; F533-Y537 WeakPolarHBondContact O-CB 3.27Å; F533-Y537 PolarHBondContact O-N 2.89Å; I534-Y537 WeakPolarHBondContact O-CB 3.38Å; I534-Y537 PolarHBondContact O-N 3.49Å; F535-Y537 VanDerWaalsContact C-N 3.27Å; F535-Y537 PolarHBondContact O-N 2.95Å; Y537-V539 VanDerWaalsContact C-N 3.28Å; Y537-V539 PolarHBondContact O-N 2.99Å; Y537-F540 HydrophobicContact CD2-CD1 4.24Å; Y537-F540 HydrophobicContact CE2-CD1 4.07Å; Y537-F540 HydrophobicContact CE2-CE1 4.47Å; Y537-F540 WeakPolarHBondContact O-CB 3.48Å; Y537-F540 PolarHBondContact O-N 3.3Å; Y537-F540 VanDerWaalsContact O-N 3.14Å; Y537-Y541 HydrophobicContact CE1-CD2 4.28Å; Y537-Y541 WeakPolarHBondContact O-CB 3.31Å; Y537-Y541 PolarHBondContact O-N 3.37Å
538	S	95.2	Very high	93.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-37.1	175.7	71	0	0	0	0	111.8	F474 I534 F535 V536 Y541 Y542 F557	F474-S538 VanDerWaalsContact CE1-CB 3.46Å; I534-S538 PolarHBondContact O-N 3.38Å; F535-S538 PolarHBondContact O-N 3.41Å; F535-S538 PolarHBondContact O-OG 2.95Å; V536-S538 VanDerWaalsContact C-N 3.34Å; V536-S538 PolarHBondContact O-N 3.49Å; S538-Y541 PolarHBondContact O-N 3.34Å; S538-Y542 WeakPolarHBondContact O-CB 3.49Å; S538-Y542 PolarHBondContact O-N 3.49Å; S538-F557 WeakPolarHBondContact O-CE1 3.09Å; S538-F557 WeakPolarHBondContact O-CZ 3.49Å
539	V	95.2	Very high	93.4	Very high	67 Å²	67	57.5 Å²	57.5	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-45.1	172.8	178.8	0	0	0	0	111.4	F535 V536 Y537 Y542 R543 F558	F535-V539 PolarHBondContact O-N 3.47Å; V536-V539 WeakPolarHBondContact O-CB 3.33Å; V536-V539 PolarHBondContact O-N 3.28Å; Y537-V539 VanDerWaalsContact C-N 3.28Å; Y537-V539 PolarHBondContact O-N 2.99Å; V539-Y542 PolarHBondContact O-N 3.23Å; V539-R543 PolarHBondContact O-N 3.07Å; V539-R543 VanDerWaalsContact O-N 3.15Å; V539-F558 HydrophobicContact CB-CE1 4.44Å; V539-F558 HydrophobicContact CG2-CE1 3.82Å
540	F	94.4	Very high	93.2	Very high	93 Å²	93	58.7 Å²	58.7	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-44.8	175.3	169.2	-92.4	0	0	0	111.9	V536 Y537 R543 N544 R545	V536-F540 PolarHBondContact O-N 2.86Å; V536-F540 VanDerWaalsContact O-N 3.11Å; Y537-F540 HydrophobicContact CD2-CD1 4.24Å; Y537-F540 HydrophobicContact CE2-CD1 4.07Å; Y537-F540 HydrophobicContact CE2-CE1 4.47Å; Y537-F540 WeakPolarHBondContact O-CB 3.48Å; Y537-F540 PolarHBondContact O-N 3.3Å; Y537-F540 VanDerWaalsContact O-N 3.14Å; F540-R543 PolarHBondContact O-N 2.91Å; F540-N544 HydrophobicContact CD2-CB 4.49Å; F540-N544 WeakPolarHBondContact CD2-ND2 3.44Å; F540-N544 HydrophobicContact CE2-CB 4.16Å; F540-N544 WeakPolarHBondContact CE2-ND2 3.32Å; F540-N544 HydrophobicContact CZ-CB 4.33Å; F540-N544 WeakPolarHBondContact O-CB 3.45Å; F540-N544 PolarHBondContact O-N 2.95Å; F540-R545 HydrophobicContact CE1-CG 4.28Å
541	Y	92.7	Very high	92.9	Very high	16 Å²	16	64.5 Å²	64.5	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-48.6	179.4	-175.5	-85.9	0	0	0	110.8	Y471 F474 A475 Y537 S538 R543 R545 S546 F557	Y471-Y541 HydrophobicContact CD2-CD2 4.17Å; Y471-Y541 AromaticContact CD2-CE2 3.82Å; Y471-Y541 HydrophobicContact CD2-CE2 3.82Å; Y471-Y541 AromaticContact CE2-CE2 3.91Å; Y471-Y541 HydrophobicContact CE2-CE2 3.91Å; F474-Y541 HydrophobicContact CB-CD1 4.45Å; F474-Y541 HydrophobicContact CB-CD2 4.03Å; F474-Y541 HydrophobicContact CB-CE1 4.27Å; F474-Y541 HydrophobicContact CB-CE2 3.81Å; F474-Y541 HydrophobicContact CB-CG 4.35Å; F474-Y541 HydrophobicContact CD1-CD1 4.02Å; F474-Y541 HydrophobicContact CD1-CD2 4.45Å; F474-Y541 HydrophobicContact CD1-CE1 4.5Å; F474-Y541 HydrophobicContact CD1-CG 4Å; A475-Y541 VanDerWaalsContact CA-OH 3.28Å; A475-Y541 WeakPolarHBondContact CA-OH 3.49Å; A475-Y541 PolarHBondContact N-OH 3.21Å; Y537-Y541 HydrophobicContact CE1-CD2 4.28Å; Y537-Y541 WeakPolarHBondContact O-CB 3.31Å; Y537-Y541 PolarHBondContact O-N 3.37Å; S538-Y541 PolarHBondContact O-N 3.34Å; Y541-R543 PolarHBondContact O-N 3.02Å; Y541-R545 HydrophobicContact CD2-CB 3.99Å; Y541-R545 HydrophobicContact CE2-CB 4.14Å; Y541-R545 HydrophobicContact CG-CB 4.33Å; Y541-R545 CarbonylContact O-C 3.57Å; Y541-R545 WeakPolarHBondContact O-CA 3.4Å; Y541-R545 WeakPolarHBondContact O-CB 3.24Å; Y541-R545 PolarHBondContact O-N 3.04Å; Y541-S546 PolarHBondContact O-N 3.35Å; Y541-F557 HydrophobicContact CD1-CE2 4.13Å; Y541-F557 HydrophobicContact CD1-CZ 4.05Å
542	Y	92.9	Very high	92.7	Very high	37 Å²	37	64.8 Å²	64.8	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-56.1	-49	178.7	-171.8	-94.2	0	0	0	111.7	S538 V539 S546 M548 S554 F557 F558	S538-Y542 WeakPolarHBondContact O-CB 3.49Å; S538-Y542 PolarHBondContact O-N 3.49Å; V539-Y542 PolarHBondContact O-N 3.23Å; Y542-S546 WeakPolarHBondContact CA-OG 3.12Å; Y542-S546 PolarHBondContact O-OG 3.47Å; Y542-M548 HydrophobicContact CD2-CB 4.48Å; Y542-M548 HydrophobicContact CE2-CB 3.88Å; Y542-M548 PolarHBondContact OH-O 3.31Å; Y542-S554 PolarHBondContact OH-OG 2.87Å; Y542-F557 HydrophobicContact CD2-CB 4.4Å; Y542-F557 AromaticContact CD2-CD1 3.58Å; Y542-F557 HydrophobicContact CD2-CD1 3.58Å; Y542-F557 HydrophobicContact CD2-CD2 4.44Å; Y542-F557 AromaticContact CD2-CE1 3.92Å; Y542-F557 HydrophobicContact CD2-CE1 3.92Å; Y542-F557 AromaticContact CD2-CG 3.88Å; Y542-F557 HydrophobicContact CD2-CG 3.88Å; Y542-F557 HydrophobicContact CD2-CZ 4.46Å; Y542-F557 HydrophobicContact CE2-CB 4.5Å; Y542-F557 HydrophobicContact CE2-CD1 4.4Å; Y542-F557 HydrophobicContact CE2-CG 4.44Å; Y542-F557 HydrophobicContact CG-CD1 4.21Å; Y542-F557 HydrophobicContact CG-CE1 4.21Å; Y542-F558 AromaticContact CD1-CE2 3.87Å; Y542-F558 HydrophobicContact CD1-CE2 3.87Å; Y542-F558 AromaticContact CD1-CZ 3.78Å; Y542-F558 HydrophobicContact CD1-CZ 3.78Å; Y542-F558 HydrophobicContact CD2-CE2 4.11Å; Y542-F558 HydrophobicContact CD2-CZ 4.22Å; Y542-F558 HydrophobicContact CE1-CE2 4.13Å; Y542-F558 HydrophobicContact CE1-CZ 4.49Å; Y542-F558 HydrophobicContact CE2-CE2 4.36Å; Y542-F558 AromaticContact CG-CE2 3.88Å; Y542-F558 HydrophobicContact CG-CE2 3.88Å; Y542-F558 AromaticContact CG-CZ 3.64Å; Y542-F558 HydrophobicContact CG-CZ 3.64Å
543	R	92.5	Very high	92.6	Very high	208 Å²	208	59.5 Å²	59.5	79%	0.785	30%	0.303	S	S	*	.	H	α-helix	trans	-75.5	-39.1	-174.3	-175.5	176.9	176.7	149.3	1.4	114.5	V539 F540 Y541	V539-R543 PolarHBondContact O-N 3.07Å; V539-R543 VanDerWaalsContact O-N 3.15Å; F540-R543 PolarHBondContact O-N 2.91Å; Y541-R543 PolarHBondContact O-N 3.02Å
544	N	90.6	Very high	92.5	Very high	93 Å²	93	58.4 Å²	58.4	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-112.3	-13.6	-165.9	-61.2	-42.2	0	0	0	114	F540	F540-N544 HydrophobicContact CD2-CB 4.49Å; F540-N544 WeakPolarHBondContact CD2-ND2 3.44Å; F540-N544 HydrophobicContact CE2-CB 4.16Å; F540-N544 WeakPolarHBondContact CE2-ND2 3.32Å; F540-N544 HydrophobicContact CZ-CB 4.33Å; F540-N544 WeakPolarHBondContact O-CB 3.45Å; F540-N544 PolarHBondContact O-N 2.95Å
545	R	87.6	Confident	92.4	Very high	150 Å²	150	59.8 Å²	59.8	57%	0.566	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	-34.7	-174.4	-65.7	-61.9	-172.9	134.6	-3.1	113.1	Y471 F540 Y541	Y471-R545 HydrophobicContact CE2-CG 4.44Å; F540-R545 HydrophobicContact CE1-CG 4.28Å; Y541-R545 HydrophobicContact CD2-CB 3.99Å; Y541-R545 HydrophobicContact CE2-CB 4.14Å; Y541-R545 HydrophobicContact CG-CB 4.33Å; Y541-R545 CarbonylContact O-C 3.57Å; Y541-R545 WeakPolarHBondContact O-CA 3.4Å; Y541-R545 WeakPolarHBondContact O-CB 3.24Å; Y541-R545 PolarHBondContact O-N 3.04Å
546	S	87.1	Confident	92.3	Very high	20 Å²	20	57.6 Å²	57.6	14%	0.14	30%	0.302	C	S	.	.			trans	-81.8	142.6	176.1	91	0	0	0	0	110.5	Y541 Y542 M548	Y541-S546 PolarHBondContact O-N 3.35Å; Y542-S546 WeakPolarHBondContact CA-OG 3.12Å; Y542-S546 PolarHBondContact O-OG 3.47Å; S546-M548 PolarHBondContact OG-N 2.83Å
547	S	87	Confident	92.2	Very high	78 Å²	78	53.4 Å²	53.4	55%	0.545	28%	0.277	S	S	.	.			trans	-89.1	12.6	166.2	40.2	0	0	0	0	112	H36	H36-S547 WeakPolarHBondContact ND1-CB 3.13Å; H36-S547 PolarHBondContact ND1-OG 2.91Å
548	M	90.9	Very high	92.2	Very high	22 Å²	22	54.8 Å²	54.8	11%	0.108	28%	0.283	C	S	.	.			trans	-73	140.9	-175.7	-66.5	164.9	-167.3	0	0	111.1	H36 N37 W478 Y542 S546 Q553 F557	H36-M548 WeakPolarHBondContact O-CG 3.28Å; N37-M548 WeakPolarHBondContact OD1-CA 3.49Å; W478-M548 HydrophobicContact CB-CE 3.8Å; W478-M548 WeakPolarHBondContact O-CE 3.42Å; Y542-M548 HydrophobicContact CD2-CB 4.48Å; Y542-M548 HydrophobicContact CE2-CB 3.88Å; Y542-M548 PolarHBondContact OH-O 3.31Å; S546-M548 PolarHBondContact OG-N 2.83Å; M548-Q553 HydrophobicContact CB-CG 3.78Å; M548-Q553 HydrophobicContact CG-CG 3.9Å; M548-Q553 HydrophobicContact SD-CG 4.26Å; M548-Q553 PolarHBondContact SD-NE2 2.84Å; M548-F557 HydrophobicContact SD-CD2 4.2Å
549	S	90.6	Very high	92.3	Very high	66 Å²	66	55.3 Å²	55.3	46%	0.462	29%	0.289	S	S	.	.			trans	-145.9	179.1	179.6	70.5	0	0	0	0	110.6	N37 Q553	N37-S549 PolarHBondContact ND2-O 3.2Å; N37-S549 PolarHBondContact OD1-N 2.76Å; N37-S549 PolarHBondContact OD1-O 2.88Å; S549-Q553 WeakPolarHBondContact O-CB 3.49Å
550	G	91	Very high	92.2	Very high	40 Å²	40	55.5 Å²	55.5	41%	0.412	28%	0.283	S	S	.	.	S	Bend	trans	81.1	158	176.1	0	0	0	0	0	114.6	S554	G550-S554 WeakPolarHBondContact O-CB 3.45Å; G550-S554 PolarHBondContact O-N 3.03Å; G550-S554 VanDerWaalsContact O-N 3.11Å; G550-S554 PolarHBondContact O-OG 3.44Å
551	L	91.9	Very high	92.3	Very high	122 Å²	122	51.2 Å²	51.2	64%	0.639	27%	0.265	S	S	*	.	H	α-helix	trans	-70.5	-39.6	-174.1	-69.9	177.5	0	0	0	112.7	W388 S555	W388-L551 HydrophobicContact CZ3-CD1 4.14Å; L551-S555 VanDerWaalsContact O-CB 3.28Å; L551-S555 WeakPolarHBondContact O-CB 3.35Å; L551-S555 PolarHBondContact O-N 3.32Å; L551-S555 PolarHBondContact O-OG 3.37Å
552	V	92.5	Very high	92.4	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-60.8	-178.7	179.9	0	0	0	0	109.5	E40 V385 H386 S389 S554 S555 E556	E40-V552 HydrophobicContact CB-CG1 4.3Å; E40-V552 HydrophobicContact CG-CB 4.32Å; E40-V552 HydrophobicContact CG-CG1 4.31Å; V385-V552 HydrophobicContact CG1-CG2 4.24Å; H386-V552 VanDerWaalsContact CE1-CG1 3.49Å; H386-V552 WeakPolarHBondContact CE1-CG1 3.36Å; H386-V552 WeakPolarHBondContact ND1-CG1 3.45Å; S389-V552 WeakPolarHBondContact OG-CG2 3.26Å; V552-S554 PolarHBondContact O-N 2.93Å; V552-S555 PolarHBondContact O-N 2.73Å; V552-S555 PolarHBondContact O-OG 2.98Å; V552-E556 PolarHBondContact O-N 3.3Å
553	Q	92.6	Very high	92.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-41	179.9	-172.5	66.3	38.4	0	0	112.6	N37 M548 S549 F557	N37-Q553 HydrophobicContact CB-CB 3.93Å; N37-Q553 HydrophobicContact CB-CG 3.9Å; M548-Q553 HydrophobicContact CB-CG 3.78Å; M548-Q553 HydrophobicContact CG-CG 3.9Å; M548-Q553 HydrophobicContact SD-CG 4.26Å; M548-Q553 PolarHBondContact SD-NE2 2.84Å; S549-Q553 WeakPolarHBondContact O-CB 3.49Å; Q553-F557 WeakPolarHBondContact O-CB 3.37Å; Q553-F557 PolarHBondContact O-N 3.17Å
554	S	93.9	Very high	92.7	Very high	28 Å²	28	46.2 Å²	46.2	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-49	176.7	-64.3	0	0	0	0	111.9	Y542 G550 V552 E556 F557 F558	Y542-S554 PolarHBondContact OH-OG 2.87Å; G550-S554 WeakPolarHBondContact O-CB 3.45Å; G550-S554 PolarHBondContact O-N 3.03Å; G550-S554 VanDerWaalsContact O-N 3.11Å; G550-S554 PolarHBondContact O-OG 3.44Å; V552-S554 PolarHBondContact O-N 2.93Å; S554-E556 VanDerWaalsContact C-N 3.31Å; S554-E556 PolarHBondContact O-N 3.48Å; S554-F557 PolarHBondContact O-N 3.02Å; S554-F558 VanDerWaalsContact O-CD2 3.26Å; S554-F558 WeakPolarHBondContact O-CD2 3.5Å; S554-F558 PolarHBondContact O-N 3.39Å
555	S	94.9	Very high	93	Very high	30 Å²	30	42 Å²	42	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-40.8	-175.1	71.6	0	0	0	0	111.5	L551 V552 G559	L551-S555 VanDerWaalsContact O-CB 3.28Å; L551-S555 WeakPolarHBondContact O-CB 3.35Å; L551-S555 PolarHBondContact O-N 3.32Å; L551-S555 PolarHBondContact O-OG 3.37Å; V552-S555 PolarHBondContact O-N 2.73Å; V552-S555 PolarHBondContact O-OG 2.98Å; S555-G559 WeakPolarHBondContact O-CA 3.31Å; S555-G559 PolarHBondContact O-N 2.88Å
556	E	92.9	Very high	93.5	Very high	13 Å²	13	37 Å²	37	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-69.6	-48.1	178.1	-171.1	168.8	172	0	0	111.9	Q39 V382 H386 W478 V552 S554 F558 G559 Y560	Q39-E556 VanDerWaalsContact CB-CD 3.4Å; Q39-E556 HydrophobicContact CB-CG 4.49Å; Q39-E556 WeakPolarHBondContact CB-OE2 3.37Å; Q39-E556 HydrophobicContact CG-CG 4.47Å; Q39-E556 WeakPolarHBondContact CG-OE1 3.45Å; V382-E556 HydrophobicContact CG1-CB 4.11Å; V382-E556 HydrophobicContact CG1-CG 4.16Å; H386-E556 IonicContact CE1-OE2 2.65Å; H386-E556 PolarHBondContact CE1-OE2 3.4Å; H386-E556 IonicContact NE2-OE2 3.25Å; H386-E556 PolarHBondContact NE2-OE2 2.87Å; H386-E556 VanDerWaalsContact NE2-OE2 3.15Å; W478-E556 WeakPolarHBondContact CH2-O 3.21Å; W478-E556 HydrophobicContact CZ3-CG 4.42Å; V552-E556 PolarHBondContact O-N 3.3Å; S554-E556 VanDerWaalsContact C-N 3.31Å; S554-E556 PolarHBondContact O-N 3.48Å; E556-F558 PolarHBondContact O-N 3.01Å; E556-G559 PolarHBondContact O-N 2.9Å; E556-Y560 HydrophobicContact CG-CD2 3.6Å; E556-Y560 HydrophobicContact CG-CE2 3.58Å; E556-Y560 WeakPolarHBondContact O-CD2 3.39Å; E556-Y560 PolarHBondContact O-N 2.89Å
557	F	94.8	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.2	-54.8	178.4	179.8	-89.7	0	0	0	111.5	F474 W478 S538 Y541 Y542 M548 Q553 S554 S561	F474-F557 HydrophobicContact CD1-CE2 4.24Å; F474-F557 HydrophobicContact CD1-CZ 4.12Å; F474-F557 HydrophobicContact CE1-CE2 4.35Å; F474-F557 AromaticContact CE1-CZ 3.96Å; F474-F557 HydrophobicContact CE1-CZ 3.96Å; W478-F557 HydrophobicContact CB-CD2 4.34Å; W478-F557 HydrophobicContact CB-CE2 4.31Å; W478-F557 AromaticContact CD1-CD2 3.98Å; W478-F557 AromaticContact CD1-CE2 3.5Å; W478-F557 AromaticContact CD2-CD2 3.48Å; W478-F557 HydrophobicContact CD2-CD2 3.48Å; W478-F557 VanDerWaalsContact CD2-CD2 3.48Å; W478-F557 AromaticContact CD2-CE2 3.86Å; W478-F557 HydrophobicContact CD2-CE2 3.86Å; W478-F557 AromaticContact CE2-CD2 3.63Å; W478-F557 AromaticContact CE2-CE2 3.82Å; W478-F557 AromaticContact CE3-CD2 3.88Å; W478-F557 HydrophobicContact CE3-CD2 3.88Å; W478-F557 AromaticContact CG-CD2 3.7Å; W478-F557 HydrophobicContact CG-CD2 3.7Å; W478-F557 AromaticContact CG-CE2 3.64Å; W478-F557 HydrophobicContact CG-CE2 3.64Å; W478-F557 VanDerWaalsContact CH2-CA 3.42Å; W478-F557 HydrophobicContact CH2-CB 4.44Å; W478-F557 HydrophobicContact CH2-CD2 4.42Å; W478-F557 WeakPolarHBondContact CH2-O 3.45Å; W478-F557 HydrophobicContact CZ2-CD2 4.12Å; W478-F557 WeakPolarHBondContact CZ2-O 3.49Å; W478-F557 HydrophobicContact CZ3-CB 4.36Å; W478-F557 HydrophobicContact CZ3-CD2 4.34Å; W478-F557 AromaticContact NE1-CD2 3.92Å; W478-F557 AromaticContact NE1-CE2 3.58Å; S538-F557 WeakPolarHBondContact O-CE1 3.09Å; S538-F557 WeakPolarHBondContact O-CZ 3.49Å; Y541-F557 HydrophobicContact CD1-CE2 4.13Å; Y541-F557 HydrophobicContact CD1-CZ 4.05Å; Y542-F557 HydrophobicContact CD2-CB 4.4Å; Y542-F557 AromaticContact CD2-CD1 3.58Å; Y542-F557 HydrophobicContact CD2-CD1 3.58Å; Y542-F557 HydrophobicContact CD2-CD2 4.44Å; Y542-F557 AromaticContact CD2-CE1 3.92Å; Y542-F557 HydrophobicContact CD2-CE1 3.92Å; Y542-F557 AromaticContact CD2-CG 3.88Å; Y542-F557 HydrophobicContact CD2-CG 3.88Å; Y542-F557 HydrophobicContact CD2-CZ 4.46Å; Y542-F557 HydrophobicContact CE2-CB 4.5Å; Y542-F557 HydrophobicContact CE2-CD1 4.4Å; Y542-F557 HydrophobicContact CE2-CG 4.44Å; Y542-F557 HydrophobicContact CG-CD1 4.21Å; Y542-F557 HydrophobicContact CG-CE1 4.21Å; M548-F557 HydrophobicContact SD-CD2 4.2Å; Q553-F557 WeakPolarHBondContact O-CB 3.37Å; Q553-F557 PolarHBondContact O-N 3.17Å; S554-F557 PolarHBondContact O-N 3.02Å; F557-S561 WeakPolarHBondContact O-CB 3.35Å; F557-S561 PolarHBondContact O-N 2.87Å; F557-S561 PolarHBondContact O-OG 3.45Å
558	F	95.9	Very high	94.4	Very high	60 Å²	60	36 Å²	36	26%	0.263	21%	0.207	S	C	.	.	H	α-helix	trans	-72.4	-35.3	-178.1	-73.6	-64.6	0	0	0	112.6	F535 V539 Y542 S554 E556 L562	F535-F558 HydrophobicContact CE2-CD1 4.48Å; V539-F558 HydrophobicContact CB-CE1 4.44Å; V539-F558 HydrophobicContact CG2-CE1 3.82Å; Y542-F558 AromaticContact CD1-CE2 3.87Å; Y542-F558 HydrophobicContact CD1-CE2 3.87Å; Y542-F558 AromaticContact CD1-CZ 3.78Å; Y542-F558 HydrophobicContact CD1-CZ 3.78Å; Y542-F558 HydrophobicContact CD2-CE2 4.11Å; Y542-F558 HydrophobicContact CD2-CZ 4.22Å; Y542-F558 HydrophobicContact CE1-CE2 4.13Å; Y542-F558 HydrophobicContact CE1-CZ 4.49Å; Y542-F558 HydrophobicContact CE2-CE2 4.36Å; Y542-F558 AromaticContact CG-CE2 3.88Å; Y542-F558 HydrophobicContact CG-CE2 3.88Å; Y542-F558 AromaticContact CG-CZ 3.64Å; Y542-F558 HydrophobicContact CG-CZ 3.64Å; S554-F558 VanDerWaalsContact O-CD2 3.26Å; S554-F558 WeakPolarHBondContact O-CD2 3.5Å; S554-F558 PolarHBondContact O-N 3.39Å; E556-F558 PolarHBondContact O-N 3.01Å; F558-L562 VanDerWaalsContact O-CB 3.31Å; F558-L562 WeakPolarHBondContact O-CB 3.37Å; F558-L562 PolarHBondContact O-N 3.21Å
559	G	95.7	Very high	94.7	Very high	12 Å²	12	37.1 Å²	37.1	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-59.2	176.5	0	0	0	0	0	112	T378 S555 E556 L562 L563	T378-G559 WeakPolarHBondContact CG2-O 3.45Å; S555-G559 WeakPolarHBondContact O-CA 3.31Å; S555-G559 PolarHBondContact O-N 2.88Å; E556-G559 PolarHBondContact O-N 2.9Å; G559-L562 PolarHBondContact O-N 3.38Å; G559-L563 PolarHBondContact O-N 3.48Å
560	Y	94.1	Very high	95	Very high	71 Å²	71	34.3 Å²	34.3	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-76.7	-23.2	-179.6	-56.6	-67.2	0	0	0	113.3	V382 W478 E556 L562 L563 T564	V382-Y560 HydrophobicContact CG1-CE2 4.26Å; W478-Y560 HydrophobicContact CH2-CD2 4.36Å; E556-Y560 HydrophobicContact CG-CD2 3.6Å; E556-Y560 HydrophobicContact CG-CE2 3.58Å; E556-Y560 WeakPolarHBondContact O-CD2 3.39Å; E556-Y560 PolarHBondContact O-N 2.89Å; Y560-L562 VanDerWaalsContact C-N 3.35Å; Y560-L563 HydrophobicContact CD1-CD1 3.78Å; Y560-L563 HydrophobicContact CE1-CD1 4.29Å; Y560-L563 PolarHBondContact O-N 3.47Å; Y560-T564 WeakPolarHBondContact O-CB 3.49Å; Y560-T564 PolarHBondContact O-N 3.29Å; Y560-T564 PolarHBondContact O-OG1 2.82Å
561	S	95.6	Very high	95.3	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-39.4	169	-68.2	0	0	0	0	111.9	W478 F557 T564 A565	W478-S561 WeakPolarHBondContact CZ2-OG 3.37Å; F557-S561 WeakPolarHBondContact O-CB 3.35Å; F557-S561 PolarHBondContact O-N 2.87Å; F557-S561 PolarHBondContact O-OG 3.45Å; S561-T564 PolarHBondContact O-N 3.49Å; S561-A565 WeakPolarHBondContact O-CB 3.16Å; S561-A565 PolarHBondContact O-N 3.07Å
562	L	96.3	Very high	95.6	Very high	91 Å²	91	26.9 Å²	26.9	48%	0.476	15%	0.146	S	C	.	.	H	α-helix	trans	-64.6	-42.7	174.6	-178.7	63.8	0	0	0	111.6	F535 F558 G559 Y560 T564 A565 L566	F535-L562 HydrophobicContact CD2-CB 4.21Å; F535-L562 HydrophobicContact CD2-CD1 4.14Å; F535-L562 HydrophobicContact CE2-CB 3.83Å; F535-L562 HydrophobicContact CE2-CD1 4.03Å; F535-L562 HydrophobicContact CZ-CD1 4.34Å; F558-L562 VanDerWaalsContact O-CB 3.31Å; F558-L562 WeakPolarHBondContact O-CB 3.37Å; F558-L562 PolarHBondContact O-N 3.21Å; G559-L562 PolarHBondContact O-N 3.38Å; Y560-L562 VanDerWaalsContact C-N 3.35Å; L562-T564 VanDerWaalsContact C-N 3.34Å; L562-A565 WeakPolarHBondContact O-CB 3.36Å; L562-A565 PolarHBondContact O-N 3.37Å; L562-L566 PolarHBondContact O-N 2.83Å
563	L	96.3	Very high	95.8	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-40.2	175	-70.2	172.8	0	0	0	111.9	F371 P374 L375 T378 G559 Y560 L566 V567	F371-L563 HydrophobicContact CE2-CD2 4.48Å; P374-L563 HydrophobicContact CB-CD2 4.19Å; L375-L563 HydrophobicContact CB-CD2 4.48Å; L375-L563 HydrophobicContact CD1-CD1 3.68Å; T378-L563 HydrophobicContact CG2-CD1 3.75Å; T378-L563 HydrophobicContact CG2-CG 4.12Å; G559-L563 PolarHBondContact O-N 3.48Å; Y560-L563 HydrophobicContact CD1-CD1 3.78Å; Y560-L563 HydrophobicContact CE1-CD1 4.29Å; Y560-L563 PolarHBondContact O-N 3.47Å; L563-L566 WeakPolarHBondContact O-CB 3.48Å; L563-L566 PolarHBondContact O-N 3.16Å; L563-V567 WeakPolarHBondContact O-CG2 3.46Å; L563-V567 PolarHBondContact O-N 2.92Å
564	T	94.5	Very high	96.1	Very high	55 Å²	55	26.7 Å²	26.7	34%	0.337	15%	0.145	S	C	.	.	H	α-helix	trans	-60.8	-46.9	175	-59.9	0	0	0	0	110.4	Y560 S561 L562 L566 V567 F568	Y560-T564 WeakPolarHBondContact O-CB 3.49Å; Y560-T564 PolarHBondContact O-N 3.29Å; Y560-T564 PolarHBondContact O-OG1 2.82Å; S561-T564 PolarHBondContact O-N 3.49Å; L562-T564 VanDerWaalsContact C-N 3.34Å; T564-L566 VanDerWaalsContact C-N 3.28Å; T564-L566 PolarHBondContact O-N 3.23Å; T564-V567 WeakPolarHBondContact O-CB 3.24Å; T564-V567 PolarHBondContact O-N 3.37Å; T564-V567 VanDerWaalsContact O-N 3.13Å; T564-F568 HydrophobicContact CG2-CD2 3.87Å; T564-F568 HydrophobicContact CG2-CE2 3.79Å; T564-F568 WeakPolarHBondContact O-CD2 3.24Å; T564-F568 PolarHBondContact O-N 2.96Å
565	A	96.8	Very high	96.3	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-57.7	-39.1	173.9	0	0	0	0	0	112.7	G531 F535 S561 L562 F568 T569	G531-A565 WeakPolarHBondContact CA-O 3.16Å; G531-A565 WeakPolarHBondContact O-CB 3.45Å; F535-A565 HydrophobicContact CB-CB 3.91Å; S561-A565 WeakPolarHBondContact O-CB 3.16Å; S561-A565 PolarHBondContact O-N 3.07Å; L562-A565 WeakPolarHBondContact O-CB 3.36Å; L562-A565 PolarHBondContact O-N 3.37Å; A565-F568 PolarHBondContact O-N 2.87Å; A565-T569 WeakPolarHBondContact O-CB 3.21Å; A565-T569 PolarHBondContact O-N 2.71Å; A565-T569 PolarHBondContact O-OG1 2.79Å
566	L	97.5	Very high	96.4	Very high	47 Å²	47	25 Å²	25	25%	0.246	13%	0.133	C	C	.	.	H	α-helix	trans	-64.4	-44	174.1	179.9	62.9	0	0	0	111.9	F371 P374 L562 L563 T564 F568 T569 L570	F371-L566 HydrophobicContact CD2-CD2 4.11Å; P374-L566 HydrophobicContact CB-CD2 4Å; P374-L566 HydrophobicContact CG-CD2 4.12Å; L562-L566 PolarHBondContact O-N 2.83Å; L563-L566 WeakPolarHBondContact O-CB 3.48Å; L563-L566 PolarHBondContact O-N 3.16Å; T564-L566 VanDerWaalsContact C-N 3.28Å; T564-L566 PolarHBondContact O-N 3.23Å; L566-F568 PolarHBondContact O-N 3.01Å; L566-T569 WeakPolarHBondContact O-CB 3.37Å; L566-T569 PolarHBondContact O-N 2.82Å; L566-L570 HydrophobicContact CD1-CD1 4.12Å; L566-L570 HydrophobicContact CD1-CG 4.16Å; L566-L570 HydrophobicContact CG-CD1 4.05Å; L566-L570 HydrophobicContact CG-CG 4.47Å; L566-L570 WeakPolarHBondContact O-CG 3.05Å; L566-L570 PolarHBondContact O-N 2.96Å
567	V	96.8	Very high	96.6	Very high	32 Å²	32	24.4 Å²	24.4	19%	0.194	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-49.3	175.6	171.8	0	0	0	0	110.9	F305 F371 L563 T564 T569 L570 M571	F305-V567 HydrophobicContact CB-CG1 4.17Å; F305-V567 HydrophobicContact CD1-CG1 3.82Å; F305-V567 HydrophobicContact CD1-CG2 4.31Å; F305-V567 HydrophobicContact CD2-CG1 4.15Å; F305-V567 HydrophobicContact CD2-CG2 4.45Å; F305-V567 HydrophobicContact CE1-CG1 4.24Å; F305-V567 HydrophobicContact CE1-CG2 3.88Å; F305-V567 HydrophobicContact CE2-CG2 4.01Å; F305-V567 HydrophobicContact CG-CG1 3.8Å; F305-V567 HydrophobicContact CZ-CG2 3.73Å; F371-V567 HydrophobicContact CD2-CG2 4.24Å; F371-V567 HydrophobicContact CE2-CG2 3.52Å; F371-V567 HydrophobicContact CZ-CG2 4.05Å; L563-V567 WeakPolarHBondContact O-CG2 3.46Å; L563-V567 PolarHBondContact O-N 2.92Å; T564-V567 WeakPolarHBondContact O-CB 3.24Å; T564-V567 PolarHBondContact O-N 3.37Å; T564-V567 VanDerWaalsContact O-N 3.13Å; V567-T569 VanDerWaalsContact C-N 3.32Å; V567-T569 PolarHBondContact O-N 2.86Å; V567-L570 PolarHBondContact O-N 3.48Å; V567-M571 VanDerWaalsContact O-CB 3.26Å; V567-M571 WeakPolarHBondContact O-CB 3.49Å; V567-M571 PolarHBondContact O-N 3.25Å
568	F	96.1	Very high	96.8	Very high	43 Å²	43	28.9 Å²	28.9	19%	0.189	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-40.4	176.6	-85.5	-85.7	0	0	0	112	L496 I534 T564 A565 L566 M571 L572	L496-F568 HydrophobicContact CD2-CD1 4.07Å; L496-F568 HydrophobicContact CD2-CE1 3.61Å; I534-F568 HydrophobicContact CD1-CB 3.86Å; I534-F568 HydrophobicContact CD1-CD1 3.73Å; I534-F568 HydrophobicContact CD1-CD2 3.8Å; I534-F568 HydrophobicContact CD1-CE1 4.19Å; I534-F568 HydrophobicContact CD1-CE2 4.27Å; I534-F568 HydrophobicContact CD1-CG 3.51Å; I534-F568 HydrophobicContact CD1-CZ 4.44Å; T564-F568 HydrophobicContact CG2-CD2 3.87Å; T564-F568 HydrophobicContact CG2-CE2 3.79Å; T564-F568 WeakPolarHBondContact O-CD2 3.24Å; T564-F568 PolarHBondContact O-N 2.96Å; A565-F568 PolarHBondContact O-N 2.87Å; L566-F568 PolarHBondContact O-N 3.01Å; F568-M571 HydrophobicContact CD1-CE 4.03Å; F568-M571 HydrophobicContact CE1-CE 4.19Å; F568-L572 HydrophobicContact CD1-CD1 4.13Å; F568-L572 VanDerWaalsContact O-CB 3.23Å; F568-L572 WeakPolarHBondContact O-CB 3.26Å; F568-L572 VanDerWaalsContact O-CG 3.31Å; F568-L572 WeakPolarHBondContact O-CG 3.39Å; F568-L572 PolarHBondContact O-N 3.26Å
569	T	97.8	Very high	96.8	Very high	46 Å²	46	27 Å²	27	28%	0.282	14%	0.142	S	C	.	.	H	α-helix	trans	-60	-48.3	177.3	-59.1	0	0	0	0	111.7	G528 A565 L566 V567 G573	G528-T569 WeakPolarHBondContact O-CA 3.36Å; G528-T569 WeakPolarHBondContact O-CG2 3.23Å; G528-T569 PolarHBondContact O-OG1 3.24Å; A565-T569 WeakPolarHBondContact O-CB 3.21Å; A565-T569 PolarHBondContact O-N 2.71Å; A565-T569 PolarHBondContact O-OG1 2.79Å; L566-T569 WeakPolarHBondContact O-CB 3.37Å; L566-T569 PolarHBondContact O-N 2.82Å; V567-T569 VanDerWaalsContact C-N 3.32Å; V567-T569 PolarHBondContact O-N 2.86Å; T569-G573 WeakPolarHBondContact O-CA 3.12Å; T569-G573 PolarHBondContact O-N 3.37Å
570	L	98.1	Very high	96.9	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-68.8	-44	-179	-65	173.2	0	0	0	111.6	I298 V301 G302 F305 L370 L566 V567 S574	I298-L570 HydrophobicContact CB-CD2 4.23Å; I298-L570 HydrophobicContact CG1-CD2 3.93Å; I298-L570 HydrophobicContact CG2-CD2 3.88Å; V301-L570 HydrophobicContact CB-CD1 4.4Å; V301-L570 HydrophobicContact CG1-CD1 3.67Å; G302-L570 WeakPolarHBondContact CA-O 3.15Å; F305-L570 HydrophobicContact CE2-CD1 4.26Å; L370-L570 HydrophobicContact CD2-CD2 3.91Å; L370-L570 HydrophobicContact CG-CD2 4.48Å; L566-L570 HydrophobicContact CD1-CD1 4.12Å; L566-L570 HydrophobicContact CD1-CG 4.16Å; L566-L570 HydrophobicContact CG-CD1 4.05Å; L566-L570 HydrophobicContact CG-CG 4.47Å; L566-L570 WeakPolarHBondContact O-CG 3.05Å; L566-L570 PolarHBondContact O-N 2.96Å; V567-L570 PolarHBondContact O-N 3.48Å; L570-S574 WeakPolarHBondContact O-CB 3.41Å; L570-S574 PolarHBondContact O-N 3.21Å; L570-S574 VanDerWaalsContact O-N 3.08Å; L570-S574 PolarHBondContact O-OG 3.14Å
571	M	97.5	Very high	96.9	Very high	7 Å²	7	23 Å²	23	3%	0.034	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-54.8	-179.8	-176.4	-178.9	69	0	0	111.6	F305 L306 F493 V567 F568 S574 V575	F305-M571 HydrophobicContact CB-CB 4.34Å; L306-M571 HydrophobicContact CB-CG 4.21Å; L306-M571 HydrophobicContact CD1-CG 4.07Å; L306-M571 HydrophobicContact CD1-SD 4.22Å; F493-M571 HydrophobicContact CE2-CE 3.93Å; F493-M571 HydrophobicContact CE2-SD 3.81Å; F493-M571 HydrophobicContact CZ-SD 4.23Å; V567-M571 VanDerWaalsContact O-CB 3.26Å; V567-M571 WeakPolarHBondContact O-CB 3.49Å; V567-M571 PolarHBondContact O-N 3.25Å; F568-M571 HydrophobicContact CD1-CE 4.03Å; F568-M571 HydrophobicContact CE1-CE 4.19Å; M571-S574 WeakPolarHBondContact O-CB 3.38Å; M571-S574 PolarHBondContact O-N 2.93Å; M571-V575 VanDerWaalsContact O-CG2 3.31Å; M571-V575 WeakPolarHBondContact O-CG2 3.25Å; M571-V575 PolarHBondContact O-N 3.15Å; M571-V575 VanDerWaalsContact O-N 3.09Å
572	L	97.4	Very high	96.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.1	-35.8	-178.5	-63.5	177.4	0	0	0	112	L496 L497 T527 T530 F568 S574 V575 S576	L496-L572 HydrophobicContact CD1-CD1 4.19Å; L496-L572 HydrophobicContact CD1-CD2 4.3Å; L496-L572 HydrophobicContact CD2-CD1 4.4Å; L496-L572 HydrophobicContact CD2-CD2 4.08Å; L496-L572 HydrophobicContact CG-CD1 4.46Å; L496-L572 HydrophobicContact CG-CD2 3.85Å; L497-L572 HydrophobicContact CD2-CD2 4.3Å; T527-L572 HydrophobicContact CG2-CB 3.95Å; T527-L572 HydrophobicContact CG2-CD1 4.49Å; T530-L572 HydrophobicContact CG2-CD1 3.7Å; F568-L572 HydrophobicContact CD1-CD1 4.13Å; F568-L572 VanDerWaalsContact O-CB 3.23Å; F568-L572 WeakPolarHBondContact O-CB 3.26Å; F568-L572 VanDerWaalsContact O-CG 3.31Å; F568-L572 WeakPolarHBondContact O-CG 3.39Å; F568-L572 PolarHBondContact O-N 3.26Å; L572-S574 PolarHBondContact O-N 3.22Å; L572-V575 PolarHBondContact O-N 3.43Å; L572-S576 VanDerWaalsContact O-CB 3.31Å; L572-S576 WeakPolarHBondContact O-CB 3.43Å; L572-S576 PolarHBondContact O-N 2.85Å; L572-S576 PolarHBondContact O-OG 3.3Å; L572-S576 VanDerWaalsContact O-OG 3.11Å
573	G	97.4	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-29.3	173	0	0	0	0	0	113.3	V524 T569 S576 F577	V524-G573 VanDerWaalsContact O-CA 3.31Å; V524-G573 WeakPolarHBondContact O-CA 3.3Å; T569-G573 WeakPolarHBondContact O-CA 3.12Å; T569-G573 PolarHBondContact O-N 3.37Å; G573-S576 VanDerWaalsContact C-OG 3.29Å; G573-S576 VanDerWaalsContact CA-OG 3.29Å; G573-S576 WeakPolarHBondContact CA-OG 3.41Å; G573-S576 PolarHBondContact O-OG 3.44Å; G573-F577 WeakPolarHBondContact O-CB 3.33Å; G573-F577 PolarHBondContact O-N 3.28Å
574	S	97.9	Very high	96.6	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-75.8	-44.3	174.1	-61.3	0	0	0	0	111.8	I298 L299 G302 L570 M571 L572 S576 F577 W578	I298-S574 PolarHBondContact O-OG 3.27Å; L299-S574 WeakPolarHBondContact CA-OG 3.46Å; G302-S574 WeakPolarHBondContact CA-OG 3.38Å; L570-S574 WeakPolarHBondContact O-CB 3.41Å; L570-S574 PolarHBondContact O-N 3.21Å; L570-S574 VanDerWaalsContact O-N 3.08Å; L570-S574 PolarHBondContact O-OG 3.14Å; M571-S574 WeakPolarHBondContact O-CB 3.38Å; M571-S574 PolarHBondContact O-N 2.93Å; L572-S574 PolarHBondContact O-N 3.22Å; S574-S576 VanDerWaalsContact C-N 3.32Å; S574-S576 PolarHBondContact O-N 3.08Å; S574-F577 PolarHBondContact O-N 3.03Å; S574-W578 PolarHBondContact O-N 3.09Å
575	V	97.9	Very high	96.4	Very high	23 Å²	23	21.7 Å²	21.7	14%	0.139	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-45.2	176.9	173.5	0	0	0	0	110.5	L306 L497 A501 M571 L572 W578 A579	L306-V575 HydrophobicContact CD1-CG2 4.17Å; L306-V575 HydrophobicContact CD2-CG2 4.35Å; L497-V575 HydrophobicContact CD2-CG1 4.37Å; L497-V575 HydrophobicContact CD2-CG2 3.65Å; A501-V575 HydrophobicContact CB-CG1 4.36Å; M571-V575 VanDerWaalsContact O-CG2 3.31Å; M571-V575 WeakPolarHBondContact O-CG2 3.25Å; M571-V575 PolarHBondContact O-N 3.15Å; M571-V575 VanDerWaalsContact O-N 3.09Å; L572-V575 PolarHBondContact O-N 3.43Å; V575-W578 PolarHBondContact O-N 3.22Å; V575-A579 WeakPolarHBondContact O-CB 3.21Å; V575-A579 PolarHBondContact O-N 3.14Å
576	S	97	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-43.1	178.8	66.1	0	0	0	0	112	S504 S523 T527 L572 G573 S574 S580	S504-S576 WeakPolarHBondContact OG-CA 3.01Å; S504-S576 VanDerWaalsContact OG-CB 3.3Å; S504-S576 WeakPolarHBondContact OG-CB 3.5Å; S504-S576 PolarHBondContact OG-O 3.23Å; S523-S576 VanDerWaalsContact O-CB 3.22Å; S523-S576 WeakPolarHBondContact O-CB 3.45Å; S523-S576 PolarHBondContact O-OG 3.33Å; T527-S576 WeakPolarHBondContact OG1-CB 3.4Å; L572-S576 VanDerWaalsContact O-CB 3.31Å; L572-S576 WeakPolarHBondContact O-CB 3.43Å; L572-S576 PolarHBondContact O-N 2.85Å; L572-S576 PolarHBondContact O-OG 3.3Å; L572-S576 VanDerWaalsContact O-OG 3.11Å; G573-S576 VanDerWaalsContact C-OG 3.29Å; G573-S576 VanDerWaalsContact CA-OG 3.29Å; G573-S576 WeakPolarHBondContact CA-OG 3.41Å; G573-S576 PolarHBondContact O-OG 3.44Å; S574-S576 VanDerWaalsContact C-N 3.32Å; S574-S576 PolarHBondContact O-N 3.08Å; S576-S580 WeakPolarHBondContact O-CB 3.23Å; S576-S580 PolarHBondContact O-N 2.73Å; S576-S580 PolarHBondContact O-OG 2.47Å
577	F	98	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-49	176	178.9	-94.1	0	0	0	112.7	L295 L299 F351 W519 W520 V524 G573 S574 A579 S580 L581	L295-F577 HydrophobicContact CD2-CE2 4.23Å; L295-F577 HydrophobicContact CD2-CZ 4.48Å; L299-F577 HydrophobicContact CD1-CD1 3.47Å; L299-F577 VanDerWaalsContact CD1-CD1 3.47Å; L299-F577 HydrophobicContact CD1-CE1 3.42Å; L299-F577 VanDerWaalsContact CD1-CE1 3.42Å; L299-F577 HydrophobicContact CD1-CG 4.14Å; L299-F577 HydrophobicContact CD1-CZ 4.06Å; L299-F577 HydrophobicContact CD2-CB 3.63Å; L299-F577 HydrophobicContact CD2-CD1 3.5Å; L299-F577 HydrophobicContact CD2-CE1 4.34Å; L299-F577 HydrophobicContact CD2-CG 3.63Å; L299-F577 HydrophobicContact CG-CD1 4.13Å; L299-F577 HydrophobicContact CG-CG 4.5Å; F351-F577 AromaticContact CE1-CE1 3.7Å; F351-F577 HydrophobicContact CE1-CE1 3.7Å; F351-F577 AromaticContact CE1-CZ 3.59Å; F351-F577 HydrophobicContact CE1-CZ 3.59Å; F351-F577 HydrophobicContact CE2-CE1 4.39Å; F351-F577 AromaticContact CZ-CE1 3.6Å; F351-F577 HydrophobicContact CZ-CE1 3.6Å; F351-F577 AromaticContact CZ-CZ 3.57Å; F351-F577 HydrophobicContact CZ-CZ 3.57Å; W519-F577 HydrophobicContact CH2-CE2 4.02Å; W519-F577 HydrophobicContact CH2-CZ 4.21Å; W519-F577 HydrophobicContact CZ3-CD2 4.1Å; W519-F577 AromaticContact CZ3-CE2 3.71Å; W519-F577 HydrophobicContact CZ3-CE2 3.71Å; W519-F577 HydrophobicContact CZ3-CZ 4.28Å; W520-F577 HydrophobicContact CD2-CE2 4.43Å; W520-F577 AromaticContact CE3-CE2 3.65Å; W520-F577 HydrophobicContact CE3-CE2 3.65Å; W520-F577 AromaticContact CE3-CZ 3.67Å; W520-F577 HydrophobicContact CE3-CZ 3.67Å; W520-F577 HydrophobicContact CZ3-CE2 4.29Å; W520-F577 AromaticContact CZ3-CZ 3.83Å; W520-F577 HydrophobicContact CZ3-CZ 3.83Å; V524-F577 HydrophobicContact CG2-CB 3.85Å; V524-F577 HydrophobicContact CG2-CD2 3.96Å; V524-F577 HydrophobicContact CG2-CG 4.21Å; G573-F577 WeakPolarHBondContact O-CB 3.33Å; G573-F577 PolarHBondContact O-N 3.28Å; S574-F577 PolarHBondContact O-N 3.03Å; F577-A579 VanDerWaalsContact C-N 3.35Å; F577-A579 PolarHBondContact O-N 3.32Å; F577-S580 PolarHBondContact O-N 3.27Å; F577-L581 HydrophobicContact CE1-CD2 4.13Å; F577-L581 WeakPolarHBondContact O-CB 3.34Å; F577-L581 PolarHBondContact O-N 3.17Å
578	W	97.8	Very high	95	Very high	93 Å²	93	25 Å²	25	35%	0.352	12%	0.124	S	C	.	.	H	α-helix	trans	-65.5	-38.5	-179	-72.7	116.2	0	0	0	112	V347 F351 S574 V575 L581 A582	V347-W578 HydrophobicContact CG1-CZ2 4.06Å; F351-W578 AromaticContact CD2-CH2 3.66Å; F351-W578 HydrophobicContact CD2-CH2 3.66Å; F351-W578 HydrophobicContact CD2-CZ3 4.29Å; F351-W578 AromaticContact CE2-CH2 3.97Å; F351-W578 HydrophobicContact CE2-CH2 3.97Å; F351-W578 HydrophobicContact CE2-CZ3 4.17Å; F351-W578 HydrophobicContact CG-CH2 4.24Å; S574-W578 PolarHBondContact O-N 3.09Å; V575-W578 PolarHBondContact O-N 3.22Å; W578-L581 HydrophobicContact CE3-CD2 3.9Å; W578-L581 HydrophobicContact CZ3-CD2 3.74Å; W578-L581 PolarHBondContact O-N 2.95Å; W578-A582 WeakPolarHBondContact O-CB 3.29Å; W578-A582 PolarHBondContact O-N 3.3Å
579	A	96.8	Very high	94.4	Very high	20 Å²	20	30.2 Å²	30.2	17%	0.165	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-47	173.5	0	0	0	0	0	111.6	A501 V505 V575 F577 A582 F583	A501-A579 HydrophobicContact CB-CB 3.81Å; V505-A579 HydrophobicContact CG2-CB 4.13Å; V575-A579 WeakPolarHBondContact O-CB 3.21Å; V575-A579 PolarHBondContact O-N 3.14Å; F577-A579 VanDerWaalsContact C-N 3.35Å; F577-A579 PolarHBondContact O-N 3.32Å; A579-A582 PolarHBondContact O-N 3Å; A579-F583 WeakPolarHBondContact O-CB 3.45Å; A579-F583 PolarHBondContact O-N 3.21Å
580	S	96.6	Very high	93.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-42.6	176.8	-68.1	0	0	0	0	112.7	S504 T508 S523 S576 F577 F583 I584	S504-S580 PolarHBondContact OG-OG 3.27Å; T508-S580 WeakPolarHBondContact OG1-CB 3.33Å; T508-S580 PolarHBondContact OG1-OG 3.01Å; S523-S580 WeakPolarHBondContact CB-OG 3.2Å; S576-S580 WeakPolarHBondContact O-CB 3.23Å; S576-S580 PolarHBondContact O-N 2.73Å; S576-S580 PolarHBondContact O-OG 2.47Å; F577-S580 PolarHBondContact O-N 3.27Å; S580-F583 PolarHBondContact O-N 3.09Å; S580-I584 WeakPolarHBondContact O-CB 3.08Å; S580-I584 VanDerWaalsContact O-CG1 3.24Å; S580-I584 WeakPolarHBondContact O-CG1 3.46Å; S580-I584 PolarHBondContact O-N 3.47Å
581	L	96	Very high	92.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-41.5	177.2	175.8	64.1	0	0	0	111.5	F351 F429 W519 F577 W578 R585	F351-L581 HydrophobicContact CE2-CD2 4.02Å; F351-L581 HydrophobicContact CZ-CD2 4.17Å; F429-L581 HydrophobicContact CE2-CD1 4.28Å; F429-L581 HydrophobicContact CZ-CD1 4.02Å; W519-L581 HydrophobicContact CH2-CB 3.93Å; W519-L581 HydrophobicContact CH2-CD1 3.68Å; W519-L581 HydrophobicContact CH2-CG 4.36Å; W519-L581 HydrophobicContact CZ2-CD1 4.19Å; W519-L581 HydrophobicContact CZ3-CB 4.18Å; F577-L581 HydrophobicContact CE1-CD2 4.13Å; F577-L581 WeakPolarHBondContact O-CB 3.34Å; F577-L581 PolarHBondContact O-N 3.17Å; W578-L581 HydrophobicContact CE3-CD2 3.9Å; W578-L581 HydrophobicContact CZ3-CD2 3.74Å; W578-L581 PolarHBondContact O-N 2.95Å; L581-R585 HydrophobicContact CD1-CG 4.26Å; L581-R585 WeakPolarHBondContact O-CB 3.31Å; L581-R585 WeakPolarHBondContact O-CG 3.03Å; L581-R585 PolarHBondContact O-N 3.32Å
582	A	94.6	Very high	90.2	Very high	61 Å²	61	40.8 Å²	40.8	50%	0.504	19%	0.192	S	C	.	.	H	α-helix	trans	-62.3	-45.8	176	0	0	0	0	0	111.3	W578 A579 R585 Y586	W578-A582 WeakPolarHBondContact O-CB 3.29Å; W578-A582 PolarHBondContact O-N 3.3Å; A579-A582 PolarHBondContact O-N 3Å; A582-R585 PolarHBondContact O-N 3.18Å; A582-Y586 WeakPolarHBondContact O-CB 3.29Å; A582-Y586 PolarHBondContact O-N 3.02Å
583	F	93.1	Very high	88	Confident	18 Å²	18	45.3 Å²	45.3	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-48.5	175.6	169.9	-108.5	0	0	0	112.6	L253 V505 Y509 A579 S580 R585 Y586 I587	L253-F583 HydrophobicContact CD1-CE2 3.75Å; L253-F583 HydrophobicContact CD1-CZ 4.49Å; L253-F583 HydrophobicContact CD2-CE2 3.78Å; L253-F583 HydrophobicContact CD2-CZ 3.8Å; L253-F583 HydrophobicContact CG-CE2 4.44Å; V505-F583 HydrophobicContact CG1-CB 3.96Å; V505-F583 HydrophobicContact CG1-CD1 3.97Å; V505-F583 HydrophobicContact CG1-CD2 3.59Å; V505-F583 HydrophobicContact CG1-CE1 4.38Å; V505-F583 HydrophobicContact CG1-CE2 4.05Å; V505-F583 HydrophobicContact CG1-CG 3.55Å; V505-F583 HydrophobicContact CG1-CZ 4.42Å; V505-F583 HydrophobicContact CG2-CB 3.99Å; V505-F583 HydrophobicContact CG2-CG 4.47Å; Y509-F583 HydrophobicContact CD2-CE1 4.5Å; Y509-F583 AromaticContact CD2-CZ 3.97Å; Y509-F583 HydrophobicContact CD2-CZ 3.97Å; Y509-F583 HydrophobicContact CG-CZ 4.29Å; A579-F583 WeakPolarHBondContact O-CB 3.45Å; A579-F583 PolarHBondContact O-N 3.21Å; S580-F583 PolarHBondContact O-N 3.09Å; F583-R585 PolarHBondContact O-N 2.9Å; F583-Y586 WeakPolarHBondContact O-CB 3.41Å; F583-Y586 PolarHBondContact O-N 2.76Å; F583-Y586 VanDerWaalsContact O-N 3.09Å; F583-I587 HydrophobicContact CD1-CD1 4.5Å; F583-I587 HydrophobicContact CD2-CG2 3.96Å; F583-I587 HydrophobicContact CE1-CD1 3.87Å; F583-I587 HydrophobicContact CE1-CG2 4.29Å; F583-I587 HydrophobicContact CE2-CG2 3.42Å; F583-I587 VanDerWaalsContact CE2-CG2 3.42Å; F583-I587 HydrophobicContact CZ-CD1 4.04Å; F583-I587 HydrophobicContact CZ-CG2 3.6Å; F583-I587 PolarHBondContact O-N 3.11Å
584	I	92.5	Very high	85.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-46.2	179.2	-72.4	173.4	0	0	0	110.4	V285 F286 T508 L512 W519 S580 Y586 I587 Y588	V285-I584 HydrophobicContact CG1-CG2 3.58Å; F286-I584 HydrophobicContact CE1-CG2 3.68Å; F286-I584 HydrophobicContact CZ-CG2 3.56Å; T508-I584 HydrophobicContact CG2-CD1 3.68Å; T508-I584 HydrophobicContact CG2-CG1 4.04Å; L512-I584 HydrophobicContact CD1-CD1 4.11Å; L512-I584 HydrophobicContact CD1-CG1 3.85Å; W519-I584 HydrophobicContact CB-CD1 4.15Å; W519-I584 HydrophobicContact CD2-CD1 3.1Å; W519-I584 HydrophobicContact CE3-CD1 3.49Å; W519-I584 VanDerWaalsContact CE3-CD1 3.49Å; W519-I584 HydrophobicContact CG-CD1 3.39Å; W519-I584 HydrophobicContact CH2-CD1 4.19Å; W519-I584 HydrophobicContact CZ2-CD1 3.86Å; W519-I584 HydrophobicContact CZ3-CD1 4.02Å; S580-I584 WeakPolarHBondContact O-CB 3.08Å; S580-I584 VanDerWaalsContact O-CG1 3.24Å; S580-I584 WeakPolarHBondContact O-CG1 3.46Å; S580-I584 PolarHBondContact O-N 3.47Å; I584-Y586 PolarHBondContact O-N 3Å; I584-I587 WeakPolarHBondContact O-CG1 3.44Å; I584-I587 PolarHBondContact O-N 2.84Å; I584-Y588 HydrophobicContact CG2-CD2 3.75Å; I584-Y588 HydrophobicContact CG2-CE2 3.96Å; I584-Y588 VanDerWaalsContact O-CD2 3.23Å; I584-Y588 WeakPolarHBondContact O-CD2 3.36Å; I584-Y588 PolarHBondContact O-N 3.42Å; I584-Y588 VanDerWaalsContact O-N 3.12Å
585	R	91.3	Very high	84.4	Confident	50 Å²	50	59.6 Å²	59.6	19%	0.189	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-36.2	175.9	-76.4	177.7	174	162.9	2.5	112.2	F286 Q430 P432 L581 A582 F583 R589	F286-R585 HydrophobicContact CE1-CG 4.4Å; Q430-R585 PolarHBondContact O-NE 2.89Å; P432-R585 HydrophobicContact CG-CG 4.41Å; L581-R585 HydrophobicContact CD1-CG 4.26Å; L581-R585 WeakPolarHBondContact O-CB 3.31Å; L581-R585 WeakPolarHBondContact O-CG 3.03Å; L581-R585 PolarHBondContact O-N 3.32Å; A582-R585 PolarHBondContact O-N 3.18Å; F583-R585 PolarHBondContact O-N 2.9Å; R585-R589 VanDerWaalsContact O-CB 3.26Å; R585-R589 WeakPolarHBondContact O-CB 3.35Å; R585-R589 WeakPolarHBondContact O-CG 3.47Å; R585-R589 PolarHBondContact O-N 3.08Å; R585-R589 VanDerWaalsContact O-N 3.1Å
586	Y	89.1	Confident	83.7	Confident	149 Å²	149	61.5 Å²	61.5	58%	0.584	30%	0.297	S	S	*	.	H	α-helix	trans	-64.4	-54	177.2	176.2	-97.9	0	0	0	111.7	F257 A582 F583 I584 Y588 R589 S590	F257-Y586 HydrophobicContact CE2-CE1 4.48Å; A582-Y586 WeakPolarHBondContact O-CB 3.29Å; A582-Y586 PolarHBondContact O-N 3.02Å; F583-Y586 WeakPolarHBondContact O-CB 3.41Å; F583-Y586 PolarHBondContact O-N 2.76Å; F583-Y586 VanDerWaalsContact O-N 3.09Å; I584-Y586 PolarHBondContact O-N 3Å; Y586-Y588 VanDerWaalsContact C-N 3.34Å; Y586-Y588 PolarHBondContact O-N 3.41Å; Y586-R589 PolarHBondContact O-N 2.98Å; Y586-S590 PolarHBondContact O-N 3.26Å; Y586-S590 PolarHBondContact O-OG 3.12Å
587	I	86.3	Confident	83	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-32.9	-176	68.8	179.7	0	0	0	113.4	F257 W278 L512 F583 I584 S590	F257-I587 HydrophobicContact CZ-CB 4.17Å; F257-I587 HydrophobicContact CZ-CG2 3.97Å; W278-I587 HydrophobicContact CD2-CD1 4.23Å; W278-I587 HydrophobicContact CE3-CB 4.47Å; W278-I587 HydrophobicContact CE3-CD1 3.81Å; W278-I587 HydrophobicContact CE3-CG1 4.16Å; W278-I587 HydrophobicContact CH2-CB 4.09Å; W278-I587 HydrophobicContact CZ3-CB 3.93Å; W278-I587 HydrophobicContact CZ3-CD1 4.14Å; W278-I587 HydrophobicContact CZ3-CG1 3.98Å; L512-I587 HydrophobicContact CD1-CD1 4.12Å; F583-I587 HydrophobicContact CD1-CD1 4.5Å; F583-I587 HydrophobicContact CD2-CG2 3.96Å; F583-I587 HydrophobicContact CE1-CD1 3.87Å; F583-I587 HydrophobicContact CE1-CG2 4.29Å; F583-I587 HydrophobicContact CE2-CG2 3.42Å; F583-I587 VanDerWaalsContact CE2-CG2 3.42Å; F583-I587 HydrophobicContact CZ-CD1 4.04Å; F583-I587 HydrophobicContact CZ-CG2 3.6Å; F583-I587 PolarHBondContact O-N 3.11Å; I584-I587 WeakPolarHBondContact O-CG1 3.44Å; I584-I587 PolarHBondContact O-N 2.84Å; I587-S590 WeakPolarHBondContact CA-OG 3.47Å; I587-S590 PolarHBondContact O-OG 3.46Å
588	Y	86.1	Confident	82.1	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-86.5	-17.9	178.8	-71.4	-78.4	0	0	0	113.6	W278 H282 V285 F286 I584 Y586 L591	W278-Y588 AromaticContact CE3-CE1 3.94Å; W278-Y588 HydrophobicContact CE3-CE1 3.94Å; W278-Y588 HydrophobicContact CE3-CE2 4.37Å; W278-Y588 AromaticContact CE3-CZ 3.83Å; W278-Y588 HydrophobicContact CZ3-CD1 4.41Å; W278-Y588 HydrophobicContact CZ3-CE1 4.21Å; W278-Y588 PolarHBondContact O-OH 3.23Å; H282-Y588 VanDerWaalsContact CA-CE1 3.5Å; H282-Y588 HydrophobicContact CB-CD1 3.74Å; H282-Y588 HydrophobicContact CB-CE1 3.57Å; V285-Y588 HydrophobicContact CB-CE2 4.18Å; V285-Y588 HydrophobicContact CG1-CD2 4.29Å; V285-Y588 HydrophobicContact CG1-CE2 3.73Å; V285-Y588 HydrophobicContact CG2-CE1 4.26Å; V285-Y588 HydrophobicContact CG2-CE2 3.93Å; V285-Y588 WeakPolarHBondContact CG2-OH 3.39Å; F286-Y588 HydrophobicContact CE2-CD2 4.16Å; F286-Y588 HydrophobicContact CE2-CG 4.13Å; F286-Y588 HydrophobicContact CZ-CD2 4.14Å; F286-Y588 HydrophobicContact CZ-CG 4.42Å; I584-Y588 HydrophobicContact CG2-CD2 3.75Å; I584-Y588 HydrophobicContact CG2-CE2 3.96Å; I584-Y588 VanDerWaalsContact O-CD2 3.23Å; I584-Y588 WeakPolarHBondContact O-CD2 3.36Å; I584-Y588 PolarHBondContact O-N 3.42Å; I584-Y588 VanDerWaalsContact O-N 3.12Å; Y586-Y588 VanDerWaalsContact C-N 3.34Å; Y586-Y588 PolarHBondContact O-N 3.41Å; Y588-L591 HydrophobicContact CD1-CD1 3.63Å; Y588-L591 HydrophobicContact CE1-CD1 4.1Å
589	R	84.1	Confident	81.1	Confident	153 Å²	153	67.3 Å²	67.3	58%	0.577	33%	0.331	S	S	*	.	H	α-helix	trans	-75.7	-28.3	168.2	-80.7	177	179.3	-178.9	-0.7	112.5	P432 R585 Y586 L591	P432-R589 HydrophobicContact CB-CG 4.04Å; P432-R589 HydrophobicContact CG-CG 3.89Å; R585-R589 VanDerWaalsContact O-CB 3.26Å; R585-R589 WeakPolarHBondContact O-CB 3.35Å; R585-R589 WeakPolarHBondContact O-CG 3.47Å; R585-R589 PolarHBondContact O-N 3.08Å; R585-R589 VanDerWaalsContact O-N 3.1Å; Y586-R589 PolarHBondContact O-N 2.98Å; R589-L591 VanDerWaalsContact C-N 3.25Å
590	S	76.3	Confident	80.1	Confident	58 Å²	58	70.4 Å²	70.4	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-73.3	-17.5	176	44.8	0	0	0	0	113.6	F257 Y586 I587 K592	F257-S590 WeakPolarHBondContact CE1-OG 3.36Å; Y586-S590 PolarHBondContact O-N 3.26Å; Y586-S590 PolarHBondContact O-OG 3.12Å; I587-S590 WeakPolarHBondContact CA-OG 3.47Å; I587-S590 PolarHBondContact O-OG 3.46Å; S590-K592 PolarHBondContact O-N 2.97Å; S590-K592 VanDerWaalsContact O-N 3.17Å
591	L	70.4	Confident	78.9	Confident	27 Å²	27	75.4 Å²	75.4	14%	0.141	37%	0.366	C	S	.	.	S	Bend	trans	-72.2	103.5	169.1	-77.4	164.1	0	0	0	108.1	W278 K279 Y588 R589 M593	W278-L591 HydrophobicContact CH2-CD1 4.23Å; W278-L591 HydrophobicContact CH2-CG 4.38Å; W278-L591 HydrophobicContact CZ3-CD1 3.65Å; W278-L591 HydrophobicContact CZ3-CG 4.26Å; K279-L591 HydrophobicContact CD-CD2 3.81Å; K279-L591 VanDerWaalsContact CE-CD2 3.49Å; K279-L591 HydrophobicContact CG-CD1 4.3Å; K279-L591 HydrophobicContact CG-CD2 3.79Å; Y588-L591 HydrophobicContact CD1-CD1 3.63Å; Y588-L591 HydrophobicContact CE1-CD1 4.1Å; R589-L591 VanDerWaalsContact C-N 3.25Å; L591-M593 HydrophobicContact CB-CG 4.42Å; L591-M593 PolarHBondContact O-N 3.33Å
592	K	56.7	Low	77.6	Confident	196 Å²	196	81.2 Å²	81.2	85%	0.852	39%	0.394	S	S	*	.			trans	-70.6	79	171.8	-69.8	-179.8	-178.9	175.1	0	109	S590	S590-K592 PolarHBondContact O-N 2.97Å; S590-K592 VanDerWaalsContact O-N 3.17Å
593	M	52.8	Low	76.2	Confident	96 Å²	96	82.8 Å²	82.8	47%	0.473	39%	0.385	S	S	.	.			trans	-123.4	71.4	173.2	-57.1	-159.9	-13.7	0	0	109.2	H282 L591	H282-M593 VanDerWaalsContact NE2-CE 3.29Å; H282-M593 WeakPolarHBondContact NE2-CE 3.49Å; L591-M593 HydrophobicContact CB-CG 4.42Å; L591-M593 PolarHBondContact O-N 3.33Å
594	D	35.3	Very low	74.6	Confident	243 Å²	243	88.7 Å²	88.7	100%	1.299	41%	0.413	S	S	*	.			trans	-98.4	0	162.1	-79.6	-26.2	0	0	0	109.5

Retrieved 594 of 594 residues in 2254.4 ms (Link to these results)

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