G4VAQ8_SCHMA Loading...

DUF4801 domain-containing protein

AlphaFold DB , UniProt , Accession G4VAQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 424 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	26.4	Very low	27.7	Very low	237 Å²	237	136.1 Å²	136.1	100%	1.167	74%	0.744	S	S	*	*				0	114.6	0	-72.7	174.1	169.9	0	0	107.4	E3	M1-E3 PolarHBondContact O-N 3.4Å
2	A	26.5	Very low	27.9	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	75%	0.754	S	S	*	*			trans	-81.5	98.9	178.4	0	0	0	0	0	107.8	R4	A2-R4 PolarHBondContact O-N 3.19Å
3	E	25.5	Very low	28.8	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	72%	0.718	S	S	*	*			trans	-53	116.2	171.6	-78	175.8	157.9	0	0	108.6	M1 W5	M1-E3 PolarHBondContact O-N 3.4Å; E3-W5 PolarHBondContact O-N 2.76Å; E3-W5 VanDerWaalsContact O-N 3.14Å
4	R	22.6	Very low	29.5	Very low	241 Å²	241	128.9 Å²	128.9	91%	0.909	71%	0.708	S	S	*	*			trans	-76.9	95.4	173.8	-74.5	-179.4	173.3	178.3	-1.8	106.7	A2 S6	A2-R4 PolarHBondContact O-N 3.19Å; R4-S6 PolarHBondContact O-N 3.34Å
5	W	28.8	Very low	29.9	Very low	176 Å²	176	126.5 Å²	126.5	67%	0.667	70%	0.704	S	S	*	*			trans	-66.2	102.3	173.8	-62.9	75	0	0	0	108.3	E3 V7 Y416	E3-W5 PolarHBondContact O-N 2.76Å; E3-W5 VanDerWaalsContact O-N 3.14Å; W5-V7 PolarHBondContact O-N 3.5Å; W5-Y416 HydrophobicContact CZ3-CE1 4.24Å
6	S	24.6	Very low	31	Very low	105 Å²	105	120 Å²	120	73%	0.734	67%	0.666	S	S	*	*			trans	-59.5	129.9	173.9	48	0	0	0	0	109.4	R4 G8	R4-S6 PolarHBondContact O-N 3.34Å; S6-G8 VanDerWaalsContact C-N 3.26Å; S6-G8 PolarHBondContact O-N 3.12Å
7	V	29.3	Very low	31.5	Very low	122 Å²	122	119.2 Å²	119.2	74%	0.739	67%	0.671	S	S	*	*			trans	-63.7	91.3	170.7	-180	0	0	0	0	106.8	W5	W5-V7 PolarHBondContact O-N 3.5Å
8	G	25.7	Very low	32.6	Very low	39 Å²	39	120.8 Å²	120.8	40%	0.402	68%	0.677	S	S	.	*			trans	-56.4	137	171.3	0	0	0	0	0	109.3	S6 T10	S6-G8 VanDerWaalsContact C-N 3.26Å; S6-G8 PolarHBondContact O-N 3.12Å; G8-T10 PolarHBondContact O-N 3.31Å
9	P	28.6	Very low	33.9	Very low	112 Å²	112	115.3 Å²	115.3	73%	0.727	65%	0.645	S	S	*	*			trans	-59.5	136.8	-177.6	26	-33.2	0	0	0	109.1	V11	P9-V11 HydrophobicContact CB-CG2 4.01Å; P9-V11 PolarHBondContact O-N 3.25Å
10	T	35.9	Very low	35.3	Very low	108 Å²	108	111.2 Å²	111.2	66%	0.663	62%	0.624	S	S	*	*	S	Bend	trans	-67.7	45.3	-173.2	45.7	0	0	0	0	113.7	G8 F13	G8-T10 PolarHBondContact O-N 3.31Å; T10-F13 HydrophobicContact CG2-CE2 3.92Å; T10-F13 VanDerWaalsContact O-CD2 3.29Å; T10-F13 WeakPolarHBondContact O-CD2 3.01Å
11	V	30.3	Very low	36.7	Very low	109 Å²	109	110.6 Å²	110.6	66%	0.661	63%	0.627	S	S	*	*			trans	-110.6	-0.9	-163.6	-171.5	0	0	0	0	113.8	P9	P9-V11 HydrophobicContact CB-CG2 4.01Å; P9-V11 PolarHBondContact O-N 3.25Å
12	H	30.8	Very low	38.7	Very low	187 Å²	187	101.9 Å²	101.9	87%	0.866	59%	0.588	S	S	*	*			trans	-105.2	36.6	171	-64.8	-50.1	0	0	0	113.7	G14	H12-G14 PolarHBondContact O-N 3Å
13	F	38.8	Very low	40.7	Very low	65 Å²	65	97.3 Å²	97.3	29%	0.285	55%	0.549	S	S	.	.			trans	-92.9	86.5	172.3	-77.7	-46.5	0	0	0	108.2	T10 H16 L31 Y42	T10-F13 HydrophobicContact CG2-CE2 3.92Å; T10-F13 VanDerWaalsContact O-CD2 3.29Å; T10-F13 WeakPolarHBondContact O-CD2 3.01Å; F13-H16 WeakPolarHBondContact CA-CD2 3.04Å; F13-H16 HydrophobicContact CB-CB 3.9Å; F13-H16 WeakPolarHBondContact CB-CD2 3.28Å; F13-H16 VanDerWaalsContact CB-CG 3.48Å; F13-H16 AromaticContact CD1-CD2 3.88Å; F13-H16 AromaticContact CD1-CE1 3.21Å; F13-H16 WeakPolarHBondContact CD1-CE1 3.35Å; F13-H16 AromaticContact CD1-ND1 3.86Å; F13-H16 AromaticContact CD1-NE2 3.23Å; F13-H16 WeakPolarHBondContact CD1-NE2 3.32Å; F13-H16 AromaticContact CE1-CE1 3.92Å; F13-H16 AromaticContact CG-CD2 3.9Å; F13-H16 AromaticContact CG-CE1 3.81Å; F13-H16 AromaticContact CG-NE2 3.76Å; F13-H16 PolarHBondContact O-CD2 2.97Å; F13-L31 HydrophobicContact CE1-CD1 4.33Å; F13-L31 HydrophobicContact CZ-CD1 3.9Å; F13-Y42 HydrophobicContact CE1-CE1 4.36Å
14	G	39.1	Very low	42.8	Very low	56 Å²	56	93.5 Å²	93.5	58%	0.577	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	131.2	175.1	0	0	0	0	0	114	H12 H16	H12-G14 PolarHBondContact O-N 3Å; G14-H16 PolarHBondContact O-CD2 3.48Å; G14-H16 PolarHBondContact O-N 2.82Å
15	S	35.3	Very low	45.3	Very low	93 Å²	93	86.3 Å²	86.3	65%	0.65	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.7	31.3	-176.6	64	0	0	0	0	116.1	S17	S15-S17 PolarHBondContact O-N 3.28Å
16	H	47.1	Very low	47.6	Very low	22 Å²	22	79.2 Å²	79.2	10%	0.102	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-74.1	-2.1	167.7	-73.6	-115	0	0	0	112.4	F13 G14 L18 L19 S72	F13-H16 WeakPolarHBondContact CA-CD2 3.04Å; F13-H16 HydrophobicContact CB-CB 3.9Å; F13-H16 WeakPolarHBondContact CB-CD2 3.28Å; F13-H16 VanDerWaalsContact CB-CG 3.48Å; F13-H16 AromaticContact CD1-CD2 3.88Å; F13-H16 AromaticContact CD1-CE1 3.21Å; F13-H16 WeakPolarHBondContact CD1-CE1 3.35Å; F13-H16 AromaticContact CD1-ND1 3.86Å; F13-H16 AromaticContact CD1-NE2 3.23Å; F13-H16 WeakPolarHBondContact CD1-NE2 3.32Å; F13-H16 AromaticContact CE1-CE1 3.92Å; F13-H16 AromaticContact CG-CD2 3.9Å; F13-H16 AromaticContact CG-CE1 3.81Å; F13-H16 AromaticContact CG-NE2 3.76Å; F13-H16 PolarHBondContact O-CD2 2.97Å; G14-H16 PolarHBondContact O-CD2 3.48Å; G14-H16 PolarHBondContact O-N 2.82Å; H16-L18 PolarHBondContact O-N 3.16Å; H16-L19 PolarHBondContact O-N 3.3Å; H16-S72 WeakPolarHBondContact CE1-CB 3.14Å; H16-S72 VanDerWaalsContact ND1-CB 3.27Å; H16-S72 WeakPolarHBondContact ND1-CB 3.5Å; H16-S72 PolarHBondContact ND1-OG 3.47Å
17	S	40.9	Very low	50.2	Low	107 Å²	107	74.6 Å²	74.6	75%	0.748	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-67.9	2.2	-177.4	49	0	0	0	0	114.9	S15	S15-S17 PolarHBondContact O-N 3.28Å
18	L	50.8	Low	52.6	Low	147 Å²	147	75.8 Å²	75.8	77%	0.77	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-119.6	3.3	-177.3	-61.7	177.1	0	0	0	114.4	H16	H16-L18 PolarHBondContact O-N 3.16Å
19	L	56.4	Low	55.2	Low	16 Å²	16	76.4 Å²	76.4	8%	0.084	44%	0.437	C	S	.	.	S	Bend	trans	-76	136.8	175.2	-84.5	-174.8	0	0	0	111.4	H16 D23 L24 H71 S72 L73	H16-L19 PolarHBondContact O-N 3.3Å; L19-D23 HydrophobicContact CB-CB 4.38Å; L19-D23 HydrophobicContact CD1-CB 4.27Å; L19-D23 HydrophobicContact CD2-CB 3.81Å; L19-D23 HydrophobicContact CG-CB 4.41Å; L19-L24 HydrophobicContact CB-CD1 4.23Å; L19-L24 HydrophobicContact CB-CD2 3.8Å; L19-L24 HydrophobicContact CB-CG 3.58Å; L19-L24 HydrophobicContact CD1-CD2 3.6Å; L19-L24 HydrophobicContact CD1-CG 4.06Å; L19-L24 HydrophobicContact CG-CD2 4.31Å; L19-H71 WeakPolarHBondContact CD2-CE1 3.41Å; L19-H71 WeakPolarHBondContact CD2-NE2 3.3Å; L19-S72 WeakPolarHBondContact CD1-OG 3.35Å; L19-L73 HydrophobicContact CD2-CB 4.49Å
20	P	62.2	Low	57.8	Low	34 Å²	34	71.1 Å²	71.1	22%	0.221	40%	0.403	C	S	.	.			trans	-52.9	150.1	164.8	-23	32.3	0	0	0	111.5	T22 D23 L24 D174	P20-T22 PolarHBondContact O-N 3.33Å; P20-D23 PolarHBondContact O-N 2.73Å; P20-D23 VanDerWaalsContact O-N 3.13Å; P20-L24 PolarHBondContact O-N 3.03Å; P20-L24 VanDerWaalsContact O-N 3.09Å; P20-D174 HydrophobicContact CG-CB 4.01Å; P20-D174 WeakPolarHBondContact CG-OD2 3.32Å
21	S	65.6	Low	60	Low	99 Å²	99	67 Å²	67	69%	0.692	38%	0.377	S	S	*	.	H	α-helix	trans	-57.1	-33.9	-178.4	55.4	0	0	0	0	113	Q25	S21-Q25 WeakPolarHBondContact O-CB 3.06Å; S21-Q25 PolarHBondContact O-N 2.94Å
22	T	68.4	Low	62.6	Low	54 Å²	54	67.2 Å²	67.2	33%	0.331	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-49.1	176	46.6	0	0	0	0	111.9	P20 Q25 I26	P20-T22 PolarHBondContact O-N 3.33Å; T22-Q25 PolarHBondContact O-N 3.31Å; T22-I26 PolarHBondContact O-N 3.03Å; T22-I26 VanDerWaalsContact O-N 3.15Å
23	D	68.2	Low	65	Low	1 Å²	1	59.7 Å²	59.7	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-40.8	-180	-68.6	-3	0	0	0	111.6	L19 P20 I26 L27 S173	L19-D23 HydrophobicContact CB-CB 4.38Å; L19-D23 HydrophobicContact CD1-CB 4.27Å; L19-D23 HydrophobicContact CD2-CB 3.81Å; L19-D23 HydrophobicContact CG-CB 4.41Å; P20-D23 PolarHBondContact O-N 2.73Å; P20-D23 VanDerWaalsContact O-N 3.13Å; D23-I26 PolarHBondContact O-N 3.32Å; D23-L27 WeakPolarHBondContact O-CB 3.2Å; D23-L27 PolarHBondContact O-N 3.37Å; D23-S173 VanDerWaalsContact CG-OG 3.26Å; D23-S173 WeakPolarHBondContact OD1-CB 3.43Å; D23-S173 PolarHBondContact OD1-OG 2.69Å; D23-S173 PolarHBondContact OD2-OG 3.39Å
24	L	69.1	Low	66.7	Low	70 Å²	70	67.6 Å²	67.6	37%	0.366	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-42.4	175	-76.1	173.4	0	0	0	112.1	L19 P20 L27 R28	L19-L24 HydrophobicContact CB-CD1 4.23Å; L19-L24 HydrophobicContact CB-CD2 3.8Å; L19-L24 HydrophobicContact CB-CG 3.58Å; L19-L24 HydrophobicContact CD1-CD2 3.6Å; L19-L24 HydrophobicContact CD1-CG 4.06Å; L19-L24 HydrophobicContact CG-CD2 4.31Å; P20-L24 PolarHBondContact O-N 3.03Å; P20-L24 VanDerWaalsContact O-N 3.09Å; L24-L27 PolarHBondContact O-N 2.93Å; L24-R28 VanDerWaalsContact O-CB 3.3Å; L24-R28 WeakPolarHBondContact O-CB 3.48Å; L24-R28 PolarHBondContact O-N 3.42Å
25	Q	75.3	Confident	68.4	Low	90 Å²	90	71.1 Å²	71.1	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-44.4	-179	-174.8	58	37.3	0	0	111	S21 T22 R28 D29	S21-Q25 WeakPolarHBondContact O-CB 3.06Å; S21-Q25 PolarHBondContact O-N 2.94Å; T22-Q25 PolarHBondContact O-N 3.31Å; Q25-R28 WeakPolarHBondContact O-CB 3.37Å; Q25-R28 PolarHBondContact O-N 2.99Å; Q25-D29 PolarHBondContact NE2-OD1 2.97Å; Q25-D29 PolarHBondContact O-N 3.43Å
26	I	78	Confident	70.7	Confident	27 Å²	27	67.4 Å²	67.4	14%	0.138	35%	0.346	C	S	.	.	H	α-helix	trans	-68.1	-43	179.1	-70.7	170.2	0	0	0	111	T22 D23 R28 D29 L30 L142	T22-I26 PolarHBondContact O-N 3.03Å; T22-I26 VanDerWaalsContact O-N 3.15Å; D23-I26 PolarHBondContact O-N 3.32Å; I26-R28 VanDerWaalsContact C-N 3.26Å; I26-R28 PolarHBondContact O-N 3.13Å; I26-D29 PolarHBondContact O-N 3.34Å; I26-L30 HydrophobicContact CG2-CD1 3.99Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 WeakPolarHBondContact O-CB 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 3.33Å; I26-L142 HydrophobicContact CB-CD2 4.18Å; I26-L142 HydrophobicContact CD1-CB 3.65Å; I26-L142 HydrophobicContact CD1-CD1 3.48Å; I26-L142 VanDerWaalsContact CD1-CD1 3.48Å; I26-L142 HydrophobicContact CD1-CD2 3.59Å; I26-L142 HydrophobicContact CD1-CG 3.7Å; I26-L142 HydrophobicContact CG1-CD2 4.48Å; I26-L142 HydrophobicContact CG2-CD2 4.13Å
27	L	79.2	Confident	72.3	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-58.1	-42.5	175.3	-166.7	114.2	0	0	0	111.4	D23 L24 L30 L31 Y42 S72 A76	D23-L27 WeakPolarHBondContact O-CB 3.2Å; D23-L27 PolarHBondContact O-N 3.37Å; L24-L27 PolarHBondContact O-N 2.93Å; L27-L30 PolarHBondContact O-N 3.18Å; L27-L31 HydrophobicContact CD2-CD1 3.73Å; L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CB 3.48Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.21Å; L27-L31 PolarHBondContact O-N 3.46Å; L27-Y42 HydrophobicContact CD1-CE2 3.91Å; L27-S72 WeakPolarHBondContact CD1-O 3.33Å; L27-A76 HydrophobicContact CD1-CB 3.86Å
28	R	78.4	Confident	74.3	Confident	147 Å²	147	65.3 Å²	65.3	56%	0.555	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-47.4	175.8	-176.6	-178.4	-178.6	178.5	2.7	111.4	L24 Q25 I26 L30 L31 Q32	L24-R28 VanDerWaalsContact O-CB 3.3Å; L24-R28 WeakPolarHBondContact O-CB 3.48Å; L24-R28 PolarHBondContact O-N 3.42Å; Q25-R28 WeakPolarHBondContact O-CB 3.37Å; Q25-R28 PolarHBondContact O-N 2.99Å; I26-R28 VanDerWaalsContact C-N 3.26Å; I26-R28 PolarHBondContact O-N 3.13Å; R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 2.79Å; R28-L31 PolarHBondContact O-N 3.24Å; R28-Q32 VanDerWaalsContact O-CG 3.31Å; R28-Q32 WeakPolarHBondContact O-CG 3.24Å; R28-Q32 PolarHBondContact O-N 3.46Å
29	D	81.3	Confident	75.9	Confident	52 Å²	52	63.6 Å²	63.6	28%	0.278	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-41.6	179.5	-69.6	-10.4	0	0	0	111.8	Q25 I26 Q32 C33	Q25-D29 PolarHBondContact NE2-OD1 2.97Å; Q25-D29 PolarHBondContact O-N 3.43Å; I26-D29 PolarHBondContact O-N 3.34Å; D29-Q32 PolarHBondContact O-N 2.87Å; D29-C33 PolarHBondContact O-N 3.49Å
30	L	83.6	Confident	77	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-41.9	176.6	-66.9	176.7	0	0	0	111.9	I26 L27 R28 Q32 C33 F38 H135 L139	I26-L30 HydrophobicContact CG2-CD1 3.99Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 WeakPolarHBondContact O-CB 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 3.33Å; L27-L30 PolarHBondContact O-N 3.18Å; R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 2.79Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-C33 WeakPolarHBondContact O-CB 3.4Å; L30-C33 PolarHBondContact O-N 2.81Å; L30-F38 HydrophobicContact CB-CD1 3.95Å; L30-F38 HydrophobicContact CB-CE1 3.53Å; L30-F38 HydrophobicContact CB-CZ 3.93Å; L30-F38 HydrophobicContact CD1-CZ 4.12Å; L30-F38 WeakPolarHBondContact O-CD1 3.33Å; L30-H135 HydrophobicContact CD2-CB 3.49Å; L30-H135 VanDerWaalsContact CD2-CB 3.49Å; L30-H135 VanDerWaalsContact CD2-CD2 3.46Å; L30-H135 WeakPolarHBondContact CD2-CD2 3.46Å; L30-L139 HydrophobicContact CD1-CD1 4.5Å
31	L	82	Confident	77.9	Confident	21 Å²	21	63.7 Å²	63.7	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-71	-25.5	178.6	-72.6	172.8	0	0	0	113.4	F13 L27 R28 C33 F38 R39 Y42	F13-L31 HydrophobicContact CE1-CD1 4.33Å; F13-L31 HydrophobicContact CZ-CD1 3.9Å; L27-L31 HydrophobicContact CD2-CD1 3.73Å; L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CB 3.48Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.21Å; L27-L31 PolarHBondContact O-N 3.46Å; R28-L31 PolarHBondContact O-N 3.24Å; L31-C33 VanDerWaalsContact C-N 3.32Å; L31-F38 HydrophobicContact CD2-CD1 4.18Å; L31-F38 HydrophobicContact CD2-CE1 3.82Å; L31-F38 HydrophobicContact CG-CE1 4.12Å; L31-R39 HydrophobicContact CD2-CB 4.34Å; L31-R39 HydrophobicContact CD2-CG 4.23Å; L31-Y42 HydrophobicContact CD1-CE1 4.47Å; L31-Y42 HydrophobicContact CD2-CD1 3.76Å; L31-Y42 HydrophobicContact CD2-CE1 4.41Å; L31-Y42 HydrophobicContact CD2-CG 3.93Å
32	Q	84	Confident	78.7	Confident	114 Å²	114	59 Å²	59	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-79.9	-12.5	176.7	-75.1	-177.7	3.3	0	0	113.7	R28 D29 L30 R34	R28-Q32 VanDerWaalsContact O-CG 3.31Å; R28-Q32 WeakPolarHBondContact O-CG 3.24Å; R28-Q32 PolarHBondContact O-N 3.46Å; D29-Q32 PolarHBondContact O-N 2.87Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; Q32-R34 PolarHBondContact O-N 3.46Å
33	C	80.8	Confident	79.4	Confident	28 Å²	28	59.8 Å²	59.8	19%	0.189	27%	0.266	C	S	.	.			trans	-60.1	125	178.9	-175.3	0	0	0	0	111.8	D29 L30 L31 C36 H135	D29-C33 PolarHBondContact O-N 3.49Å; L30-C33 WeakPolarHBondContact O-CB 3.4Å; L30-C33 PolarHBondContact O-N 2.81Å; L31-C33 VanDerWaalsContact C-N 3.32Å; C33-C36 VanDerWaalsContact SG-SG 3.61Å; C33-H135 WeakPolarHBondContact CB-CE1 3.35Å; C33-H135 WeakPolarHBondContact CB-NE2 3.35Å; C33-H135 VanDerWaalsContact SG-CE1 3.51Å; C33-H135 PolarHBondContact SG-NE2 3.06Å
34	R	74.6	Confident	79.9	Confident	232 Å²	232	63 Å²	63	88%	0.875	28%	0.281	S	S	*	.	S	Bend	trans	-96.1	-10.6	178.1	-62.8	-175.6	178.8	177.4	-0.3	113.5	Q32	Q32-R34 PolarHBondContact O-N 3.46Å
35	D	75.2	Confident	80.4	Confident	130 Å²	130	60.6 Å²	60.6	70%	0.695	27%	0.268	S	S	*	.	S	Bend	trans	-89.9	-6.9	-173.1	-62.2	-42.4	0	0	0	113.5
36	C	82.5	Confident	80.5	Confident	14 Å²	14	57.1 Å²	57.1	10%	0.095	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-142.4	173.5	176.6	68.2	0	0	0	0	113.7	C33 F38 Y129 C132 H135	C33-C36 VanDerWaalsContact SG-SG 3.61Å; C36-F38 VanDerWaalsContact C-N 3.32Å; C36-F38 PolarHBondContact O-N 3.37Å; C36-Y129 VanDerWaalsContact CA-O 3.26Å; C36-Y129 WeakPolarHBondContact CA-O 3.48Å; C36-Y129 WeakPolarHBondContact CB-O 3.42Å; C36-C132 VanDerWaalsContact CB-SG 3.5Å; C36-C132 VanDerWaalsContact SG-SG 3.67Å; C36-H135 PolarHBondContact SG-CE1 3.01Å
37	W	80.6	Confident	80.2	Confident	85 Å²	85	57.6 Å²	57.6	32%	0.322	26%	0.263	S	S	.	.	S	Bend	trans	-91.7	14.9	-178.2	-61.3	88	0	0	0	113.6	R39 R40 I41 W130	W37-R39 VanDerWaalsContact C-N 3.3Å; W37-R39 PolarHBondContact O-N 2.85Å; W37-R40 HydrophobicContact CE3-CB 4.34Å; W37-R40 WeakPolarHBondContact O-CB 3.33Å; W37-R40 PolarHBondContact O-N 3.21Å; W37-I41 PolarHBondContact O-N 2.88Å; W37-I41 VanDerWaalsContact O-N 3.13Å; W37-W130 CarbonylContact C-O 3.54Å; W37-W130 VanDerWaalsContact C-O 3.25Å; W37-W130 VanDerWaalsContact CA-O 3.31Å; W37-W130 WeakPolarHBondContact CA-O 3.44Å; W37-W130 HydrophobicContact CB-CE3 3.99Å; W37-W130 HydrophobicContact CG-CE3 4.37Å; W37-W130 PolarHBondContact N-O 3.23Å
38	F	84.8	Confident	79.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-50.3	-49	-179	174.1	-95.7	0	0	0	112	L30 L31 C36 R40 I41 Y42 A76 A79 V80 W130 V131 H135	L30-F38 HydrophobicContact CB-CD1 3.95Å; L30-F38 HydrophobicContact CB-CE1 3.53Å; L30-F38 HydrophobicContact CB-CZ 3.93Å; L30-F38 HydrophobicContact CD1-CZ 4.12Å; L30-F38 WeakPolarHBondContact O-CD1 3.33Å; L31-F38 HydrophobicContact CD2-CD1 4.18Å; L31-F38 HydrophobicContact CD2-CE1 3.82Å; L31-F38 HydrophobicContact CG-CE1 4.12Å; C36-F38 VanDerWaalsContact C-N 3.32Å; C36-F38 PolarHBondContact O-N 3.37Å; F38-R40 PolarHBondContact O-N 3.48Å; F38-I41 PolarHBondContact O-N 3.12Å; F38-I41 VanDerWaalsContact O-N 3.14Å; F38-Y42 HydrophobicContact CE1-CD2 4.39Å; F38-Y42 HydrophobicContact CE1-CG 4.49Å; F38-Y42 HydrophobicContact CZ-CD2 4.05Å; F38-Y42 WeakPolarHBondContact O-CB 3.49Å; F38-Y42 PolarHBondContact O-N 3.18Å; F38-A76 HydrophobicContact CZ-CB 4.1Å; F38-A79 HydrophobicContact CD2-CB 4.2Å; F38-A79 HydrophobicContact CE2-CB 3.72Å; F38-A79 HydrophobicContact CZ-CB 4.4Å; F38-V80 HydrophobicContact CD2-CG2 4.23Å; F38-V80 HydrophobicContact CE2-CG2 3.82Å; F38-W130 PolarHBondContact N-O 3.5Å; F38-W130 VanDerWaalsContact N-O 3.11Å; F38-V131 HydrophobicContact CB-CG2 4.15Å; F38-V131 HydrophobicContact CD2-CG1 4.45Å; F38-V131 HydrophobicContact CD2-CG2 4.07Å; F38-H135 AromaticContact CG-ND1 3.87Å
39	R	82.7	Confident	79.5	Confident	111 Å²	111	54.4 Å²	54.4	42%	0.419	26%	0.257	S	S	.	.	H	α-helix	trans	-55	-39.2	178.8	-178	173.6	-179.2	-170.7	-0.7	112.5	L31 W37 H43	L31-R39 HydrophobicContact CD2-CB 4.34Å; L31-R39 HydrophobicContact CD2-CG 4.23Å; W37-R39 VanDerWaalsContact C-N 3.3Å; W37-R39 PolarHBondContact O-N 2.85Å; R39-H43 PolarHBondContact O-CD2 2.81Å; R39-H43 PolarHBondContact O-N 2.84Å
40	R	79.9	Confident	78.9	Confident	49 Å²	49	57.8 Å²	57.8	19%	0.185	27%	0.274	C	S	.	.	H	α-helix	trans	-69.8	-44.4	179.3	-167.6	173.8	-176.7	165	4.8	111.3	W37 F38 Q44 I412 D413	W37-R40 HydrophobicContact CE3-CB 4.34Å; W37-R40 WeakPolarHBondContact O-CB 3.33Å; W37-R40 PolarHBondContact O-N 3.21Å; F38-R40 PolarHBondContact O-N 3.48Å; R40-Q44 VanDerWaalsContact O-CB 3.28Å; R40-Q44 WeakPolarHBondContact O-CB 3.46Å; R40-Q44 PolarHBondContact O-N 2.87Å; R40-I412 PolarHBondContact NH2-O 3.33Å; R40-D413 IonicContact CZ-OD1 3.65Å; R40-D413 VanDerWaalsContact CZ-OD1 3.28Å; R40-D413 IonicContact NH1-OD1 2.92Å; R40-D413 PolarHBondContact NH1-OD1 2.78Å; R40-D413 IonicContact NH2-OD1 3.39Å; R40-D413 PolarHBondContact NH2-OD1 2.96Å
41	I	81.3	Confident	78.1	Confident	4 Å²	4	66 Å²	66	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-45.5	176.9	-59.4	173.8	0	0	0	110.3	W37 F38 Q44 L45 A79 L86 W130 V131	W37-I41 PolarHBondContact O-N 2.88Å; W37-I41 VanDerWaalsContact O-N 3.13Å; F38-I41 PolarHBondContact O-N 3.12Å; F38-I41 VanDerWaalsContact O-N 3.14Å; I41-Q44 PolarHBondContact O-N 2.98Å; I41-L45 HydrophobicContact CG2-CD1 4.44Å; I41-L45 WeakPolarHBondContact O-CG 3.39Å; I41-L45 PolarHBondContact O-N 3.32Å; I41-A79 HydrophobicContact CB-CB 4.4Å; I41-A79 HydrophobicContact CG2-CB 3.84Å; I41-L86 HydrophobicContact CD1-CD1 4.24Å; I41-W130 HydrophobicContact CD1-CB 4.27Å; I41-W130 HydrophobicContact CD1-CE3 4.17Å; I41-W130 HydrophobicContact CG1-CE3 4.44Å; I41-V131 HydrophobicContact CD1-CG2 3.98Å
42	Y	82.9	Confident	77.1	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-49.7	179.5	-175.3	-90.2	0	0	0	112.1	F13 L27 L31 F38 Q44 L45 A46 S72 R75 A76 A79	F13-Y42 HydrophobicContact CE1-CE1 4.36Å; L27-Y42 HydrophobicContact CD1-CE2 3.91Å; L31-Y42 HydrophobicContact CD1-CE1 4.47Å; L31-Y42 HydrophobicContact CD2-CD1 3.76Å; L31-Y42 HydrophobicContact CD2-CE1 4.41Å; L31-Y42 HydrophobicContact CD2-CG 3.93Å; F38-Y42 HydrophobicContact CE1-CD2 4.39Å; F38-Y42 HydrophobicContact CE1-CG 4.49Å; F38-Y42 HydrophobicContact CZ-CD2 4.05Å; F38-Y42 WeakPolarHBondContact O-CB 3.49Å; F38-Y42 PolarHBondContact O-N 3.18Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Y42-Q44 PolarHBondContact O-N 3.12Å; Y42-L45 PolarHBondContact O-N 3.47Å; Y42-A46 PolarHBondContact O-N 3.22Å; Y42-S72 WeakPolarHBondContact CE2-O 3.36Å; Y42-S72 WeakPolarHBondContact OH-CB 3.37Å; Y42-S72 PolarHBondContact OH-O 3.19Å; Y42-R75 HydrophobicContact CD2-CB 4.39Å; Y42-R75 HydrophobicContact CD2-CG 3.98Å; Y42-R75 HydrophobicContact CE2-CB 3.81Å; Y42-R75 HydrophobicContact CE2-CG 3.79Å; Y42-R75 WeakPolarHBondContact O-CD 3.42Å; Y42-R75 PolarHBondContact OH-NH1 2.71Å; Y42-R75 VanDerWaalsContact OH-NH1 3.12Å; Y42-A76 HydrophobicContact CD2-CB 4.36Å; Y42-A76 HydrophobicContact CE2-CB 4.09Å; Y42-A79 HydrophobicContact CD2-CB 4.47Å
43	H	82.2	Confident	75.9	Confident	69 Å²	69	63.7 Å²	63.7	32%	0.319	30%	0.3	S	S	.	.	H	α-helix	trans	-69.2	-30.9	177.8	-71	-55	0	0	0	112.9	R39 A46 A47	R39-H43 PolarHBondContact O-CD2 2.81Å; R39-H43 PolarHBondContact O-N 2.84Å; H43-A46 PolarHBondContact O-N 3.15Å; H43-A47 WeakPolarHBondContact O-CB 3.47Å; H43-A47 PolarHBondContact O-N 3.14Å
44	Q	80.4	Confident	74.7	Confident	69 Å²	69	65.3 Å²	65.3	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-41.6	173.2	-175.2	179.7	4.7	0	0	111.4	R40 I41 Y42 A47 N48	R40-Q44 VanDerWaalsContact O-CB 3.28Å; R40-Q44 WeakPolarHBondContact O-CB 3.46Å; R40-Q44 PolarHBondContact O-N 2.87Å; I41-Q44 PolarHBondContact O-N 2.98Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Y42-Q44 PolarHBondContact O-N 3.12Å; Q44-A47 PolarHBondContact O-N 3.25Å; Q44-N48 WeakPolarHBondContact O-CB 3.23Å; Q44-N48 PolarHBondContact O-N 3.24Å; Q44-N48 PolarHBondContact O-ND2 3.44Å; Q44-N48 PolarHBondContact O-OD1 2.89Å
45	L	78.4	Confident	73.6	Confident	20 Å²	20	57.1 Å²	57.1	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-46.8	173.2	-68.9	175.6	0	0	0	110.9	I41 Y42 A47 N48 E49 R75 Q78 A79	I41-L45 HydrophobicContact CG2-CD1 4.44Å; I41-L45 WeakPolarHBondContact O-CG 3.39Å; I41-L45 PolarHBondContact O-N 3.32Å; Y42-L45 PolarHBondContact O-N 3.47Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.88Å; L45-N48 PolarHBondContact O-N 3.34Å; L45-N48 VanDerWaalsContact O-N 3.13Å; L45-E49 VanDerWaalsContact O-CG 3.32Å; L45-E49 WeakPolarHBondContact O-CG 3.45Å; L45-E49 PolarHBondContact O-N 3.41Å; L45-R75 HydrophobicContact CB-CG 3.75Å; L45-R75 HydrophobicContact CD1-CG 4.2Å; L45-Q78 HydrophobicContact CD1-CB 3.91Å; L45-A79 HydrophobicContact CD1-CB 3.97Å
46	A	76.6	Confident	72.4	Confident	16 Å²	16	53.3 Å²	53.3	13%	0.132	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-42.3	177	0	0	0	0	0	112.4	Y42 H43 E49 L50	Y42-A46 PolarHBondContact O-N 3.22Å; H43-A46 PolarHBondContact O-N 3.15Å; A46-E49 PolarHBondContact O-N 2.94Å; A46-L50 WeakPolarHBondContact O-CG 3.27Å; A46-L50 PolarHBondContact O-N 3.49Å
47	A	73.7	Confident	70.7	Confident	37 Å²	37	56.9 Å²	56.9	31%	0.306	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-39.2	177	0	0	0	0	0	112.2	H43 Q44 L45 E49 L50 R51	H43-A47 WeakPolarHBondContact O-CB 3.47Å; H43-A47 PolarHBondContact O-N 3.14Å; Q44-A47 PolarHBondContact O-N 3.25Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.88Å; A47-E49 VanDerWaalsContact C-N 3.35Å; A47-L50 PolarHBondContact O-N 3.22Å; A47-R51 WeakPolarHBondContact O-CB 3.37Å; A47-R51 PolarHBondContact O-N 3.05Å
48	N	72.4	Confident	69.1	Low	77 Å²	77	60 Å²	60	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-39.5	176.2	-72.2	-14.1	0	0	0	111.8	Q44 L45 R51 S52	Q44-N48 WeakPolarHBondContact O-CB 3.23Å; Q44-N48 PolarHBondContact O-N 3.24Å; Q44-N48 PolarHBondContact O-ND2 3.44Å; Q44-N48 PolarHBondContact O-OD1 2.89Å; L45-N48 PolarHBondContact O-N 3.34Å; L45-N48 VanDerWaalsContact O-N 3.13Å; N48-R51 PolarHBondContact O-N 3.04Å; N48-S52 PolarHBondContact O-N 3.34Å; N48-S52 PolarHBondContact O-OG 2.99Å
49	E	69.4	Low	66.9	Low	12 Å²	12	63.1 Å²	63.1	6%	0.056	35%	0.349	C	S	.	.	H	α-helix	trans	-64.9	-43.3	175.5	-69.2	166.3	-140.1	0	0	112.2	L45 A46 A47 R51 S52 N53 F70 R75	L45-E49 VanDerWaalsContact O-CG 3.32Å; L45-E49 WeakPolarHBondContact O-CG 3.45Å; L45-E49 PolarHBondContact O-N 3.41Å; A46-E49 PolarHBondContact O-N 2.94Å; A47-E49 VanDerWaalsContact C-N 3.35Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.41Å; E49-S52 WeakPolarHBondContact CA-OG 3.45Å; E49-S52 PolarHBondContact O-N 3.02Å; E49-S52 PolarHBondContact O-OG 3.3Å; E49-N53 VanDerWaalsContact O-CG 3.26Å; E49-N53 PolarHBondContact O-N 2.77Å; E49-N53 VanDerWaalsContact O-N 3.12Å; E49-N53 PolarHBondContact O-ND2 2.89Å; E49-F70 VanDerWaalsContact CD-CD2 3.5Å; E49-F70 HydrophobicContact CG-CD2 3.69Å; E49-F70 HydrophobicContact CG-CE2 4.32Å; E49-F70 PolarHBondContact OE2-N 3.1Å; E49-R75 WeakPolarHBondContact OE1-CG 3.33Å; E49-R75 IonicContact OE1-CZ 2.96Å; E49-R75 IonicContact OE1-NE 2.78Å; E49-R75 PolarHBondContact OE1-NE 3.05Å; E49-R75 IonicContact OE1-NH2 2.89Å; E49-R75 IonicContact OE2-CZ 3.73Å; E49-R75 IonicContact OE2-NE 3.62Å; E49-R75 PolarHBondContact OE2-NE 3.04Å; E49-R75 IonicContact OE2-NH2 3.08Å; E49-R75 PolarHBondContact OE2-NH2 3.1Å
50	L	68.2	Low	65.1	Low	122 Å²	122	64 Å²	64	64%	0.639	37%	0.369	S	S	*	.	H	α-helix	trans	-64	-39.2	174.5	-69.7	172.6	0	0	0	111.1	A46 A47 N53 S54	A46-L50 WeakPolarHBondContact O-CG 3.27Å; A46-L50 PolarHBondContact O-N 3.49Å; A47-L50 PolarHBondContact O-N 3.22Å; L50-N53 PolarHBondContact O-N 2.89Å; L50-S54 PolarHBondContact O-N 3.06Å
51	R	67.1	Low	63.3	Low	175 Å²	175	72.7 Å²	72.7	66%	0.66	40%	0.402	S	S	*	.	H	α-helix	trans	-67.5	-42.1	178.3	-168.1	175.6	-179.2	177.6	-0.3	112.2	A47 N48 E49 N53 S54 A55	A47-R51 WeakPolarHBondContact O-CB 3.37Å; A47-R51 PolarHBondContact O-N 3.05Å; N48-R51 PolarHBondContact O-N 3.04Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.41Å; R51-N53 VanDerWaalsContact C-N 3.26Å; R51-N53 PolarHBondContact O-N 3.05Å; R51-S54 WeakPolarHBondContact CA-OG 3.29Å; R51-S54 PolarHBondContact O-N 3.46Å; R51-S54 PolarHBondContact O-OG 2.96Å; R51-A55 PolarHBondContact O-N 2.87Å
52	S	62.4	Low	61.4	Low	49 Å²	49	79.5 Å²	79.5	34%	0.343	43%	0.432	S	S	.	.	H	α-helix	trans	-61.5	-38.2	175.4	54.1	0	0	0	0	111.2	N48 E49 A55 V56	N48-S52 PolarHBondContact O-N 3.34Å; N48-S52 PolarHBondContact O-OG 2.99Å; E49-S52 WeakPolarHBondContact CA-OG 3.45Å; E49-S52 PolarHBondContact O-N 3.02Å; E49-S52 PolarHBondContact O-OG 3.3Å; S52-A55 PolarHBondContact O-N 3.01Å; S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.33Å
53	N	57.6	Low	59.2	Low	38 Å²	38	85.5 Å²	85.5	20%	0.203	47%	0.474	C	S	.	.	H	α-helix	trans	-69.7	-37.6	176.6	-68.3	-8.7	0	0	0	112.5	E49 L50 R51 V56 A57 S67	E49-N53 VanDerWaalsContact O-CG 3.26Å; E49-N53 PolarHBondContact O-N 2.77Å; E49-N53 VanDerWaalsContact O-N 3.12Å; E49-N53 PolarHBondContact O-ND2 2.89Å; L50-N53 PolarHBondContact O-N 2.89Å; R51-N53 VanDerWaalsContact C-N 3.26Å; R51-N53 PolarHBondContact O-N 3.05Å; N53-V56 PolarHBondContact O-N 3.35Å; N53-A57 PolarHBondContact O-N 3.08Å; N53-S67 VanDerWaalsContact CG-O 3.31Å; N53-S67 PolarHBondContact ND2-O 3.17Å; N53-S67 PolarHBondContact OD1-O 3.09Å; N53-S67 PolarHBondContact OD1-OG 3.27Å
54	S	56.1	Low	57.4	Low	61 Å²	61	88.2 Å²	88.2	43%	0.427	49%	0.485	S	S	.	.	H	α-helix	trans	-68.4	-35.5	175.8	72.4	0	0	0	0	113.2	L50 R51 V56 A57	L50-S54 PolarHBondContact O-N 3.06Å; R51-S54 WeakPolarHBondContact CA-OG 3.29Å; R51-S54 PolarHBondContact O-N 3.46Å; R51-S54 PolarHBondContact O-OG 2.96Å; S54-V56 VanDerWaalsContact C-N 3.29Å; S54-V56 PolarHBondContact O-N 3.27Å; S54-A57 PolarHBondContact O-N 3.45Å
55	A	51.7	Low	55.4	Low	61 Å²	61	91 Å²	91	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-67	-32.1	178.7	0	0	0	0	0	112	R51 S52 A57 L58	R51-A55 PolarHBondContact O-N 2.87Å; S52-A55 PolarHBondContact O-N 3.01Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-L58 PolarHBondContact O-N 2.95Å
56	V	49.9	Very low	53.6	Low	49 Å²	49	94.3 Å²	94.3	30%	0.297	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-35.6	175.6	175	0	0	0	0	111.2	S52 N53 S54 L58 S59 F64	S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.33Å; N53-V56 PolarHBondContact O-N 3.35Å; S54-V56 VanDerWaalsContact C-N 3.29Å; S54-V56 PolarHBondContact O-N 3.27Å; V56-L58 PolarHBondContact O-N 2.94Å; V56-S59 PolarHBondContact O-N 2.86Å; V56-F64 HydrophobicContact CG1-CB 4.3Å; V56-F64 WeakPolarHBondContact CG1-O 3.19Å; V56-F64 HydrophobicContact CG2-CB 4.39Å
57	A	47.4	Very low	52.2	Low	89 Å²	89	96.3 Å²	96.3	74%	0.736	54%	0.543	S	S	*	.	H	α-helix	trans	-66.6	-22.2	179.7	0	0	0	0	0	114	N53 S54 A55	N53-A57 PolarHBondContact O-N 3.08Å; S54-A57 PolarHBondContact O-N 3.45Å; A55-A57 VanDerWaalsContact C-N 3.34Å
58	L	46.6	Very low	51.1	Low	151 Å²	151	100.5 Å²	100.5	79%	0.791	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-2.8	-176	-75.5	163.5	0	0	0	114.6	A55 V56 P60	A55-L58 PolarHBondContact O-N 2.95Å; V56-L58 PolarHBondContact O-N 2.94Å; L58-P60 WeakPolarHBondContact O-CD 3.38Å
59	S	37.6	Very low	50.2	Low	65 Å²	65	99.5 Å²	99.5	46%	0.455	56%	0.562	S	S	.	*			trans	-111.4	98.3	179.9	-166.2	0	0	0	0	111.2	V56 R61	V56-S59 PolarHBondContact O-N 2.86Å; S59-R61 PolarHBondContact O-N 3.28Å
60	P	45.5	Very low	49.4	Very low	129 Å²	129	103.6 Å²	103.6	84%	0.838	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	18.4	-170.4	31	-34.4	0	0	0	114.5	L58	L58-P60 WeakPolarHBondContact O-CD 3.38Å
61	R	41.6	Very low	49.3	Very low	233 Å²	233	101.6 Å²	101.6	88%	0.879	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.9	6.2	-171.1	-84.4	-166.9	177	-171	0.2	118.4	S59	S59-R61 PolarHBondContact O-N 3.28Å
62	K	40.8	Very low	49.4	Very low	147 Å²	147	93.6 Å²	93.6	64%	0.639	54%	0.538	S	S	*	.			trans	-137.7	121.9	167	-73.3	-176.2	179.9	178.1	0	107.9	F64	K62-F64 HydrophobicContact CB-CD2 3.39Å; K62-F64 HydrophobicContact CB-CE2 3.16Å; K62-F64 HydrophobicContact CB-CG 4.27Å; K62-F64 HydrophobicContact CB-CZ 3.86Å; K62-F64 HydrophobicContact CD-CE2 3.47Å; K62-F64 VanDerWaalsContact CD-CE2 3.47Å; K62-F64 HydrophobicContact CD-CZ 3.55Å; K62-F64 HydrophobicContact CG-CE2 3.89Å; K62-F64 HydrophobicContact CG-CZ 4.31Å; K62-F64 PolarHBondContact O-N 3.19Å
63	S	37.9	Very low	49.8	Very low	127 Å²	127	91.4 Å²	91.4	89%	0.888	52%	0.522	S	S	*	.			trans	-60.7	67.8	167.7	54	0	0	0	0	109.4	T65	S63-T65 PolarHBondContact O-N 2.97Å
64	F	44.2	Very low	50.5	Low	125 Å²	125	91.1 Å²	91.1	55%	0.548	52%	0.522	S	S	.	.			trans	-81.8	108.2	165.1	-69.5	-64.4	0	0	0	104.7	V56 K62 P66	V56-F64 HydrophobicContact CG1-CB 4.3Å; V56-F64 WeakPolarHBondContact CG1-O 3.19Å; V56-F64 HydrophobicContact CG2-CB 4.39Å; K62-F64 HydrophobicContact CB-CD2 3.39Å; K62-F64 HydrophobicContact CB-CE2 3.16Å; K62-F64 HydrophobicContact CB-CG 4.27Å; K62-F64 HydrophobicContact CB-CZ 3.86Å; K62-F64 HydrophobicContact CD-CE2 3.47Å; K62-F64 VanDerWaalsContact CD-CE2 3.47Å; K62-F64 HydrophobicContact CD-CZ 3.55Å; K62-F64 HydrophobicContact CG-CE2 3.89Å; K62-F64 HydrophobicContact CG-CZ 4.31Å; K62-F64 PolarHBondContact O-N 3.19Å; F64-P66 VanDerWaalsContact O-N 3.14Å
65	T	39.2	Very low	51.5	Low	128 Å²	128	89.1 Å²	89.1	79%	0.785	51%	0.505	S	S	*	.			trans	-45.2	121.6	167.1	36.8	0	0	0	0	107.6	S63 S67	S63-T65 PolarHBondContact O-N 2.97Å; T65-S67 PolarHBondContact O-N 2.91Å; T65-S67 VanDerWaalsContact O-N 3.09Å
66	P	40.5	Very low	52.8	Low	90 Å²	90	86.2 Å²	86.2	58%	0.584	48%	0.481	S	S	*	.			trans	-55.3	124.2	177.2	21.2	-30.6	0	0	0	107.4	F64 V68	F64-P66 VanDerWaalsContact O-N 3.14Å; P66-V68 PolarHBondContact O-N 2.69Å
67	S	46.5	Very low	54.1	Low	58 Å²	58	85.4 Å²	85.4	41%	0.406	48%	0.475	S	S	.	.			trans	-61.7	111	177.3	60.1	0	0	0	0	107.2	N53 T65 P69	N53-S67 VanDerWaalsContact CG-O 3.31Å; N53-S67 PolarHBondContact ND2-O 3.17Å; N53-S67 PolarHBondContact OD1-O 3.09Å; N53-S67 PolarHBondContact OD1-OG 3.27Å; T65-S67 PolarHBondContact O-N 2.91Å; T65-S67 VanDerWaalsContact O-N 3.09Å; S67-P69 VanDerWaalsContact O-N 3.17Å
68	V	50.6	Low	55.6	Low	124 Å²	124	84.5 Å²	84.5	75%	0.752	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-52.6	127.3	177.3	179.9	0	0	0	0	106.9	P66 F70	P66-V68 PolarHBondContact O-N 2.69Å; V68-F70 PolarHBondContact O-N 2.97Å
69	P	53	Low	57.2	Low	57 Å²	57	77.3 Å²	77.3	37%	0.37	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-52.2	135.8	179.7	21.7	-32.5	0	0	0	108.8	S67 H71	S67-P69 VanDerWaalsContact O-N 3.17Å; P69-H71 PolarHBondContact O-N 2.96Å
70	F	53.1	Low	59.3	Low	98 Å²	98	74.4 Å²	74.4	43%	0.43	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60	137.9	-176.5	-75.1	-71.1	0	0	0	109	E49 V68 S72 T74 R75	E49-F70 VanDerWaalsContact CD-CD2 3.5Å; E49-F70 HydrophobicContact CG-CD2 3.69Å; E49-F70 HydrophobicContact CG-CE2 4.32Å; E49-F70 PolarHBondContact OE2-N 3.1Å; V68-F70 PolarHBondContact O-N 2.97Å; F70-S72 PolarHBondContact O-N 2.88Å; F70-T74 HydrophobicContact CD1-CG2 4.02Å; F70-R75 PolarHBondContact O-NH2 3.45Å
71	H	65.2	Low	61.1	Low	79 Å²	79	73.3 Å²	73.3	37%	0.366	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-50.6	135.1	169.5	-172.5	-100.7	0	0	0	108.5	L19 P69 L73 T74 R75 F175	L19-H71 WeakPolarHBondContact CD2-CE1 3.41Å; L19-H71 WeakPolarHBondContact CD2-NE2 3.3Å; P69-H71 PolarHBondContact O-N 2.96Å; H71-L73 PolarHBondContact O-N 2.97Å; H71-L73 VanDerWaalsContact O-N 3.09Å; H71-T74 WeakPolarHBondContact O-CA 3.5Å; H71-T74 VanDerWaalsContact O-CB 3.26Å; H71-T74 WeakPolarHBondContact O-CB 3.42Å; H71-T74 PolarHBondContact O-N 2.93Å; H71-R75 PolarHBondContact O-N 2.87Å; H71-F175 HydrophobicContact CB-CE2 4.42Å; H71-F175 AromaticContact CE1-CD2 3.85Å; H71-F175 AromaticContact ND1-CD2 3.62Å; H71-F175 AromaticContact ND1-CE2 3.57Å
72	S	70.4	Confident	62.9	Low	7 Å²	7	67.3 Å²	67.3	5%	0.049	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-29.8	-168.1	54.9	0	0	0	0	113.2	H16 L19 L27 Y42 F70 A76	H16-S72 WeakPolarHBondContact CE1-CB 3.14Å; H16-S72 VanDerWaalsContact ND1-CB 3.27Å; H16-S72 WeakPolarHBondContact ND1-CB 3.5Å; H16-S72 PolarHBondContact ND1-OG 3.47Å; L19-S72 WeakPolarHBondContact CD1-OG 3.35Å; L27-S72 WeakPolarHBondContact CD1-O 3.33Å; Y42-S72 WeakPolarHBondContact CE2-O 3.36Å; Y42-S72 WeakPolarHBondContact OH-CB 3.37Å; Y42-S72 PolarHBondContact OH-O 3.19Å; F70-S72 PolarHBondContact O-N 2.88Å; S72-A76 PolarHBondContact O-N 3.27Å; S72-A76 VanDerWaalsContact O-N 3.12Å
73	L	71.1	Confident	64.8	Low	3 Å²	3	60.3 Å²	60.3	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-70.2	-43	170.6	-171.3	63.2	0	0	0	112.3	L19 H71 R75 A76 I77 L142 L143 S173 F175	L19-L73 HydrophobicContact CD2-CB 4.49Å; H71-L73 PolarHBondContact O-N 2.97Å; H71-L73 VanDerWaalsContact O-N 3.09Å; L73-R75 VanDerWaalsContact C-N 3.25Å; L73-R75 PolarHBondContact O-N 2.94Å; L73-A76 CarbonylContact O-C 3.56Å; L73-A76 WeakPolarHBondContact O-CA 3.41Å; L73-A76 WeakPolarHBondContact O-CB 3.19Å; L73-A76 PolarHBondContact O-N 3.25Å; L73-I77 HydrophobicContact CG-CD1 4.41Å; L73-I77 VanDerWaalsContact O-CG1 3.32Å; L73-I77 WeakPolarHBondContact O-CG1 3.42Å; L73-I77 PolarHBondContact O-N 3.08Å; L73-L142 HydrophobicContact CD1-CD2 4.12Å; L73-L143 HydrophobicContact CD2-CD2 4.2Å; L73-S173 WeakPolarHBondContact CD2-OG 3.44Å; L73-F175 HydrophobicContact CB-CD2 4.18Å; L73-F175 HydrophobicContact CB-CE2 4.37Å; L73-F175 HydrophobicContact CD2-CB 3.57Å; L73-F175 HydrophobicContact CD2-CD1 4.39Å; L73-F175 HydrophobicContact CD2-CD2 3.73Å; L73-F175 HydrophobicContact CD2-CG 3.64Å; L73-F175 HydrophobicContact CG-CD2 4.3Å; L73-F175 HydrophobicContact CG-CG 4.48Å
74	T	72.4	Confident	66.8	Low	32 Å²	32	57.2 Å²	57.2	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-55.7	-43.5	173.2	-48	0	0	0	0	111.2	F70 H71 A76 I77 Q78 F175	F70-T74 HydrophobicContact CD1-CG2 4.02Å; H71-T74 WeakPolarHBondContact O-CA 3.5Å; H71-T74 VanDerWaalsContact O-CB 3.26Å; H71-T74 WeakPolarHBondContact O-CB 3.42Å; H71-T74 PolarHBondContact O-N 2.93Å; T74-A76 VanDerWaalsContact C-N 3.29Å; T74-A76 PolarHBondContact O-N 3.35Å; T74-I77 PolarHBondContact O-N 3.46Å; T74-Q78 WeakPolarHBondContact O-CG 3.49Å; T74-Q78 PolarHBondContact O-N 2.95Å; T74-F175 WeakPolarHBondContact OG1-CE2 3.46Å; T74-F175 WeakPolarHBondContact OG1-CZ 3.18Å
75	R	77.4	Confident	68.3	Low	19 Å²	19	55.2 Å²	55.2	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-38.3	175	-168.1	-172.9	-57.8	131.5	0	111.8	Y42 L45 E49 F70 H71 L73 A79	Y42-R75 HydrophobicContact CD2-CB 4.39Å; Y42-R75 HydrophobicContact CD2-CG 3.98Å; Y42-R75 HydrophobicContact CE2-CB 3.81Å; Y42-R75 HydrophobicContact CE2-CG 3.79Å; Y42-R75 WeakPolarHBondContact O-CD 3.42Å; Y42-R75 PolarHBondContact OH-NH1 2.71Å; Y42-R75 VanDerWaalsContact OH-NH1 3.12Å; L45-R75 HydrophobicContact CB-CG 3.75Å; L45-R75 HydrophobicContact CD1-CG 4.2Å; E49-R75 WeakPolarHBondContact OE1-CG 3.33Å; E49-R75 IonicContact OE1-CZ 2.96Å; E49-R75 IonicContact OE1-NE 2.78Å; E49-R75 PolarHBondContact OE1-NE 3.05Å; E49-R75 IonicContact OE1-NH2 2.89Å; E49-R75 IonicContact OE2-CZ 3.73Å; E49-R75 IonicContact OE2-NE 3.62Å; E49-R75 PolarHBondContact OE2-NE 3.04Å; E49-R75 IonicContact OE2-NH2 3.08Å; E49-R75 PolarHBondContact OE2-NH2 3.1Å; F70-R75 PolarHBondContact O-NH2 3.45Å; H71-R75 PolarHBondContact O-N 2.87Å; L73-R75 VanDerWaalsContact C-N 3.25Å; L73-R75 PolarHBondContact O-N 2.94Å; R75-A79 VanDerWaalsContact O-CB 3.24Å; R75-A79 WeakPolarHBondContact O-CB 3.36Å; R75-A79 PolarHBondContact O-N 3.5Å
76	A	77.3	Confident	70.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-43.6	174.9	0	0	0	0	0	111.9	L27 F38 Y42 S72 L73 T74 A79 V80 L139	L27-A76 HydrophobicContact CD1-CB 3.86Å; F38-A76 HydrophobicContact CZ-CB 4.1Å; Y42-A76 HydrophobicContact CD2-CB 4.36Å; Y42-A76 HydrophobicContact CE2-CB 4.09Å; S72-A76 PolarHBondContact O-N 3.27Å; S72-A76 VanDerWaalsContact O-N 3.12Å; L73-A76 CarbonylContact O-C 3.56Å; L73-A76 WeakPolarHBondContact O-CA 3.41Å; L73-A76 WeakPolarHBondContact O-CB 3.19Å; L73-A76 PolarHBondContact O-N 3.25Å; T74-A76 VanDerWaalsContact C-N 3.29Å; T74-A76 PolarHBondContact O-N 3.35Å; A76-A79 PolarHBondContact O-N 3.22Å; A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 3Å; A76-L139 HydrophobicContact CB-CD1 4.26Å
77	I	77.1	Confident	71.7	Confident	33 Å²	33	48.6 Å²	48.6	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-52.3	174.8	-61.5	169.3	0	0	0	109.7	L73 T74 A79 V80 L81 L139 L143 F175	L73-I77 HydrophobicContact CG-CD1 4.41Å; L73-I77 VanDerWaalsContact O-CG1 3.32Å; L73-I77 WeakPolarHBondContact O-CG1 3.42Å; L73-I77 PolarHBondContact O-N 3.08Å; T74-I77 PolarHBondContact O-N 3.46Å; I77-A79 VanDerWaalsContact C-N 3.33Å; I77-A79 PolarHBondContact O-N 3.38Å; I77-V80 PolarHBondContact O-N 3.47Å; I77-L81 HydrophobicContact CG2-CD1 4.03Å; I77-L81 HydrophobicContact CG2-CG 4.46Å; I77-L81 WeakPolarHBondContact O-CG 3.43Å; I77-L81 PolarHBondContact O-N 2.92Å; I77-L139 HydrophobicContact CG1-CD1 3.92Å; I77-L139 HydrophobicContact CG1-CD2 4Å; I77-L139 HydrophobicContact CG1-CG 4.36Å; I77-L143 HydrophobicContact CD1-CD1 3.89Å; I77-L143 HydrophobicContact CG1-CD1 4.13Å; I77-F175 HydrophobicContact CD1-CD1 4.3Å; I77-F175 HydrophobicContact CD1-CE1 3.76Å; I77-F175 HydrophobicContact CD1-CZ 4.11Å
78	Q	79.6	Confident	72.8	Confident	70 Å²	70	54.9 Å²	54.9	33%	0.327	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-41	177.4	-74.7	-176.8	-7.5	0	0	112.4	L45 T74 V80 L81 R82	L45-Q78 HydrophobicContact CD1-CB 3.91Å; T74-Q78 WeakPolarHBondContact O-CG 3.49Å; T74-Q78 PolarHBondContact O-N 2.95Å; Q78-V80 VanDerWaalsContact C-N 3.35Å; Q78-V80 PolarHBondContact O-N 3.19Å; Q78-L81 PolarHBondContact O-N 3.38Å; Q78-R82 VanDerWaalsContact O-CB 3.24Å; Q78-R82 WeakPolarHBondContact O-CB 3.43Å; Q78-R82 PolarHBondContact O-N 3.14Å
79	A	81.1	Confident	73.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-40.6	177.1	0	0	0	0	0	111.9	F38 I41 Y42 L45 R75 A76 I77 G83	F38-A79 HydrophobicContact CD2-CB 4.2Å; F38-A79 HydrophobicContact CE2-CB 3.72Å; F38-A79 HydrophobicContact CZ-CB 4.4Å; I41-A79 HydrophobicContact CB-CB 4.4Å; I41-A79 HydrophobicContact CG2-CB 3.84Å; Y42-A79 HydrophobicContact CD2-CB 4.47Å; L45-A79 HydrophobicContact CD1-CB 3.97Å; R75-A79 VanDerWaalsContact O-CB 3.24Å; R75-A79 WeakPolarHBondContact O-CB 3.36Å; R75-A79 PolarHBondContact O-N 3.5Å; A76-A79 PolarHBondContact O-N 3.22Å; I77-A79 VanDerWaalsContact C-N 3.33Å; I77-A79 PolarHBondContact O-N 3.38Å; A79-G83 PolarHBondContact O-N 3.38Å
80	V	82.1	Confident	73.8	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-50.5	175.3	170.9	0	0	0	0	110.7	F38 A76 I77 Q78 R82 G83 F84 V131 H135 L139	F38-V80 HydrophobicContact CD2-CG2 4.23Å; F38-V80 HydrophobicContact CE2-CG2 3.82Å; A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 3Å; I77-V80 PolarHBondContact O-N 3.47Å; Q78-V80 VanDerWaalsContact C-N 3.35Å; Q78-V80 PolarHBondContact O-N 3.19Å; V80-R82 PolarHBondContact O-N 2.89Å; V80-G83 CarbonylContact O-C 3.56Å; V80-G83 PolarHBondContact O-N 2.89Å; V80-F84 HydrophobicContact CG1-CD2 3.89Å; V80-F84 HydrophobicContact CG1-CE1 4.35Å; V80-F84 HydrophobicContact CG1-CE2 3.61Å; V80-F84 HydrophobicContact CG1-CG 4.39Å; V80-F84 HydrophobicContact CG1-CZ 3.89Å; V80-F84 WeakPolarHBondContact O-CB 3.46Å; V80-F84 WeakPolarHBondContact O-CG 3.3Å; V80-F84 PolarHBondContact O-N 3.4Å; V80-V131 HydrophobicContact CG1-CG1 4.38Å; V80-V131 HydrophobicContact CG2-CG1 4.26Å; V80-H135 HydrophobicContact CG2-CB 4.49Å; V80-L139 HydrophobicContact CG2-CD1 4.25Å
81	L	81.9	Confident	73.6	Confident	106 Å²	106	58 Å²	58	56%	0.555	28%	0.276	S	S	*	.	H	α-helix	trans	-60.6	-48	-179.1	-68.6	175.5	0	0	0	111.7	I77 Q78 G83 F84 N85	I77-L81 HydrophobicContact CG2-CD1 4.03Å; I77-L81 HydrophobicContact CG2-CG 4.46Å; I77-L81 WeakPolarHBondContact O-CG 3.43Å; I77-L81 PolarHBondContact O-N 2.92Å; Q78-L81 PolarHBondContact O-N 3.38Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 3.49Å; L81-F84 PolarHBondContact O-N 3.28Å; L81-N85 PolarHBondContact O-N 2.93Å
82	R	80.1	Confident	72.9	Confident	106 Å²	106	56.5 Å²	56.5	40%	0.4	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-42.6	175.7	-171.5	174.2	-177.1	179.5	2.5	111.3	Q78 V80 N85 L86	Q78-R82 VanDerWaalsContact O-CB 3.24Å; Q78-R82 WeakPolarHBondContact O-CB 3.43Å; Q78-R82 PolarHBondContact O-N 3.14Å; V80-R82 PolarHBondContact O-N 2.89Å; R82-N85 PolarHBondContact O-N 2.99Å; R82-L86 HydrophobicContact CG-CD1 4.43Å; R82-L86 VanDerWaalsContact O-CG 3.3Å; R82-L86 WeakPolarHBondContact O-CG 3.26Å; R82-L86 PolarHBondContact O-N 3.36Å
83	G	80	Confident	71.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-37.9	176.5	0	0	0	0	0	113.8	A79 V80 L81 L86 N87	A79-G83 PolarHBondContact O-N 3.38Å; V80-G83 CarbonylContact O-C 3.56Å; V80-G83 PolarHBondContact O-N 2.89Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 3.49Å; G83-L86 PolarHBondContact O-N 3.47Å; G83-N87 WeakPolarHBondContact O-CB 3.31Å; G83-N87 PolarHBondContact O-N 3Å
84	F	80	Confident	70.2	Confident	63 Å²	63	68.1 Å²	68.1	28%	0.276	33%	0.327	S	S	.	.	H	α-helix	trans	-69	-38.7	174.1	-74.6	-9.1	0	0	0	112.4	V80 L81 L86 N87 R88 V131	V80-F84 HydrophobicContact CG1-CD2 3.89Å; V80-F84 HydrophobicContact CG1-CE1 4.35Å; V80-F84 HydrophobicContact CG1-CE2 3.61Å; V80-F84 HydrophobicContact CG1-CG 4.39Å; V80-F84 HydrophobicContact CG1-CZ 3.89Å; V80-F84 WeakPolarHBondContact O-CB 3.46Å; V80-F84 WeakPolarHBondContact O-CG 3.3Å; V80-F84 PolarHBondContact O-N 3.4Å; L81-F84 PolarHBondContact O-N 3.28Å; F84-L86 VanDerWaalsContact C-N 3.34Å; F84-N87 WeakPolarHBondContact O-CB 3.39Å; F84-N87 PolarHBondContact O-N 3.44Å; F84-R88 WeakPolarHBondContact O-CG 3.18Å; F84-R88 PolarHBondContact O-N 3.28Å; F84-V131 HydrophobicContact CD1-CB 4.14Å; F84-V131 HydrophobicContact CD1-CG1 4.14Å; F84-V131 HydrophobicContact CE1-CB 4.19Å; F84-V131 HydrophobicContact CE1-CG1 3.77Å
85	N	76.1	Confident	68.6	Low	82 Å²	82	72.9 Å²	72.9	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-42.2	172.2	-160.3	-11.5	0	0	0	111.1	L81 R82 N87 R88 R89	L81-N85 PolarHBondContact O-N 2.93Å; R82-N85 PolarHBondContact O-N 2.99Å; N85-N87 PolarHBondContact O-N 2.99Å; N85-R88 WeakPolarHBondContact O-CB 3.44Å; N85-R88 PolarHBondContact O-N 3.02Å; N85-R89 PolarHBondContact O-N 3.11Å
86	L	76.5	Confident	66.7	Low	49 Å²	49	74.7 Å²	74.7	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-35.9	174	-69.1	173.2	0	0	0	113.1	I41 R82 G83 F84 R88 R89 C90 W130	I41-L86 HydrophobicContact CD1-CD1 4.24Å; R82-L86 HydrophobicContact CG-CD1 4.43Å; R82-L86 VanDerWaalsContact O-CG 3.3Å; R82-L86 WeakPolarHBondContact O-CG 3.26Å; R82-L86 PolarHBondContact O-N 3.36Å; G83-L86 PolarHBondContact O-N 3.47Å; F84-L86 VanDerWaalsContact C-N 3.34Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.81Å; L86-R89 PolarHBondContact O-N 3.01Å; L86-C90 PolarHBondContact O-N 3.48Å; L86-W130 HydrophobicContact CB-CB 4.05Å; L86-W130 HydrophobicContact CB-CD2 4.01Å; L86-W130 HydrophobicContact CB-CG 3.63Å; L86-W130 HydrophobicContact CD1-CD2 3.89Å; L86-W130 HydrophobicContact CD1-CE3 3.86Å; L86-W130 HydrophobicContact CD1-CG 4.26Å; L86-W130 HydrophobicContact CD1-CZ3 4.28Å
87	N	75.1	Confident	64.8	Low	31 Å²	31	81.6 Å²	81.6	17%	0.166	40%	0.396	C	S	.	.	H	α-helix	trans	-61.2	-39.6	173.5	-76.9	-21.5	0	0	0	112.2	G83 F84 N85 R89 C90 Y129 W130 V131	G83-N87 WeakPolarHBondContact O-CB 3.31Å; G83-N87 PolarHBondContact O-N 3Å; F84-N87 WeakPolarHBondContact O-CB 3.39Å; F84-N87 PolarHBondContact O-N 3.44Å; N85-N87 PolarHBondContact O-N 2.99Å; N87-R89 PolarHBondContact O-N 2.99Å; N87-C90 PolarHBondContact O-N 3.37Å; N87-Y129 WeakPolarHBondContact OD1-CA 3.38Å; N87-W130 WeakPolarHBondContact OD1-CA 3.38Å; N87-W130 WeakPolarHBondContact OD1-CB 3.46Å; N87-W130 PolarHBondContact OD1-N 3.2Å; N87-V131 PolarHBondContact ND2-O 3.3Å
88	R	69.4	Low	62.9	Low	190 Å²	190	83 Å²	83	72%	0.717	41%	0.412	S	S	*	.	H	α-helix	trans	-61.7	-34.9	176.5	-70.4	178.9	-179.2	-173.2	1.1	111.6	F84 N85 L86	F84-R88 WeakPolarHBondContact O-CG 3.18Å; F84-R88 PolarHBondContact O-N 3.28Å; N85-R88 WeakPolarHBondContact O-CB 3.44Å; N85-R88 PolarHBondContact O-N 3.02Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.81Å
89	R	65.3	Low	60.8	Low	180 Å²	180	82.6 Å²	82.6	68%	0.679	42%	0.415	S	S	*	.	H	α-helix	trans	-82.7	-13.5	178.5	-61.3	-179.6	-172.9	-164.2	-2.8	113.8	N85 L86 N87 P91	N85-R89 PolarHBondContact O-N 3.11Å; L86-R89 PolarHBondContact O-N 3.01Å; N87-R89 PolarHBondContact O-N 2.99Å; R89-P91 WeakPolarHBondContact O-CD 3.13Å
90	C	58.1	Low	58.8	Low	53 Å²	53	88 Å²	88	36%	0.358	44%	0.444	S	S	.	.	S	Bend	trans	-84	119.1	-173.5	-118	0	0	0	0	111.5	L86 N87 S92 W130	L86-C90 PolarHBondContact O-N 3.48Å; N87-C90 PolarHBondContact O-N 3.37Å; C90-S92 PolarHBondContact O-N 3.45Å; C90-W130 PolarHBondContact SG-NE1 2.98Å
91	P	50.4	Low	56.7	Low	111 Å²	111	92.4 Å²	92.4	72%	0.721	47%	0.467	S	S	*	.			trans	-63	130	175.3	24.3	-31.5	0	0	0	109.5	R89 K93	R89-P91 WeakPolarHBondContact O-CD 3.13Å; P91-K93 PolarHBondContact O-N 3.3Å
92	S	49.4	Very low	54.5	Low	48 Å²	48	89.7 Å²	89.7	34%	0.336	46%	0.459	S	S	.	.			trans	-64.2	99.4	178.8	-55	0	0	0	0	109.4	C90 L94 R127	C90-S92 PolarHBondContact O-N 3.45Å; S92-L94 PolarHBondContact O-N 2.92Å; S92-R127 PolarHBondContact OG-NE 3.27Å; S92-R127 PolarHBondContact OG-NH2 2.96Å
93	K	42.4	Very low	52.4	Low	161 Å²	161	87.5 Å²	87.5	70%	0.7	46%	0.461	S	S	*	.			trans	-71.1	98	167.4	-75.6	-167.9	178.7	-173	0	108.5	P91 H95	P91-K93 PolarHBondContact O-N 3.3Å; K93-H95 PolarHBondContact O-N 3.22Å; K93-H95 VanDerWaalsContact O-N 3.1Å
94	L	43.2	Very low	50.2	Low	92 Å²	92	94.2 Å²	94.2	48%	0.482	49%	0.49	S	S	.	.			trans	-79	89.2	179.5	-145.2	157.1	0	0	0	107.9	S92 A96 I125	S92-L94 PolarHBondContact O-N 2.92Å; L94-A96 VanDerWaalsContact C-N 3.27Å; L94-A96 HydrophobicContact CD2-CB 4.18Å; L94-A96 PolarHBondContact O-N 2.94Å; L94-I125 HydrophobicContact CD1-CD1 4.14Å; L94-I125 HydrophobicContact CD1-CG1 4.46Å; L94-I125 HydrophobicContact CD2-CG1 4.06Å; L94-I125 HydrophobicContact CG-CD1 4.15Å; L94-I125 HydrophobicContact CG-CG1 3.94Å; L94-I125 HydrophobicContact CG-CG2 4.18Å
95	H	37.7	Very low	48.1	Very low	133 Å²	133	94.5 Å²	94.5	62%	0.616	49%	0.494	S	S	*	.			trans	-76.7	84.5	170.3	-118.9	-67.9	0	0	0	108.5	K93 K97	K93-H95 PolarHBondContact O-N 3.22Å; K93-H95 VanDerWaalsContact O-N 3.1Å; H95-K97 VanDerWaalsContact C-N 3.34Å; H95-K97 PolarHBondContact O-N 3.49Å
96	A	38.5	Very low	46.1	Very low	57 Å²	57	96.4 Å²	96.4	47%	0.471	50%	0.5	S	S	.	.			trans	-66.1	93.5	172.7	0	0	0	0	0	109.2	L94 A98 F123	L94-A96 VanDerWaalsContact C-N 3.27Å; L94-A96 HydrophobicContact CD2-CB 4.18Å; L94-A96 PolarHBondContact O-N 2.94Å; A96-A98 PolarHBondContact O-N 3.07Å; A96-F123 HydrophobicContact CB-CD1 4.09Å; A96-F123 HydrophobicContact CB-CE1 4.48Å
97	K	37.1	Very low	44.2	Very low	145 Å²	145	96.2 Å²	96.2	63%	0.63	50%	0.499	S	S	*	.			trans	-81.8	94.8	156	-81.1	-167.1	176.3	-168.9	0	106.5	H95 T99	H95-K97 VanDerWaalsContact C-N 3.34Å; H95-K97 PolarHBondContact O-N 3.49Å; K97-T99 VanDerWaalsContact C-N 3.31Å; K97-T99 PolarHBondContact O-N 3.17Å
98	A	37.6	Very low	42.3	Very low	61 Å²	61	103.4 Å²	103.4	50%	0.504	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	98.1	166.1	0	0	0	0	0	107.4	A96 N100	A96-A98 PolarHBondContact O-N 3.07Å; A98-N100 PolarHBondContact O-N 3.19Å
99	T	36.2	Very low	40.8	Very low	63 Å²	63	98.8 Å²	98.8	39%	0.387	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	98.9	160.8	44	0	0	0	0	105.4	K97 L101	K97-T99 VanDerWaalsContact C-N 3.31Å; K97-T99 PolarHBondContact O-N 3.17Å; T99-L101 PolarHBondContact O-N 3.44Å
100	N	37.8	Very low	39.7	Very low	112 Å²	112	100.5 Å²	100.5	60%	0.599	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	82.1	170.5	-69.2	-15.7	0	0	0	107	A98 A102	A98-N100 PolarHBondContact O-N 3.19Å; N100-A102 PolarHBondContact O-N 3.05Å
101	L	37.3	Very low	38.9	Very low	97 Å²	97	102.6 Å²	102.6	51%	0.508	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	92.3	166.4	-70.8	171.5	0	0	0	106.1	T99 S103 S120	T99-L101 PolarHBondContact O-N 3.44Å; L101-S103 PolarHBondContact O-N 3.44Å; L101-S120 PolarHBondContact N-O 3.12Å; L101-S120 PolarHBondContact O-N 3Å; L101-S120 PolarHBondContact O-OG 3.48Å; L101-S120 VanDerWaalsContact O-OG 3.12Å
102	A	36.3	Very low	38.4	Very low	49 Å²	49	104.3 Å²	104.3	41%	0.405	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	97.7	165	0	0	0	0	0	107.2	N100 T117	N100-A102 PolarHBondContact O-N 3.05Å; A102-T117 HydrophobicContact CB-CG2 4.3Å
103	S	35.6	Very low	37.9	Very low	61 Å²	61	106.1 Å²	106.1	43%	0.427	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.7	115.5	167.8	49.9	0	0	0	0	108	L101 L105 V118	L101-S103 PolarHBondContact O-N 3.44Å; S103-L105 PolarHBondContact O-N 2.69Å; S103-L105 VanDerWaalsContact O-N 3.15Å; S103-V118 PolarHBondContact N-O 2.86Å
104	F	34.5	Very low	37.7	Very low	141 Å²	141	104.9 Å²	104.9	62%	0.618	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.1	104	168.4	-64.9	-84.1	0	0	0	107.8	H106 T117	F104-H106 PolarHBondContact O-N 3.08Å; F104-T117 HydrophobicContact CD1-CG2 3.89Å; F104-T117 HydrophobicContact CE1-CG2 3.7Å; F104-T117 HydrophobicContact CZ-CG2 4.26Å
105	L	34.8	Very low	37.5	Very low	69 Å²	69	103.1 Å²	103.1	36%	0.361	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	101.4	165.3	-97.3	150.3	0	0	0	106.3	S103 L107 V118	S103-L105 PolarHBondContact O-N 2.69Å; S103-L105 VanDerWaalsContact O-N 3.15Å; L105-L107 PolarHBondContact O-N 3.36Å; L105-V118 HydrophobicContact CD1-CG2 4.15Å
106	H	35.6	Very low	37.7	Very low	121 Å²	121	101 Å²	101	56%	0.56	54%	0.536	S	S	*	.			trans	-68.2	80.4	163.3	-94.9	-76.2	0	0	0	108	F104 H108 H115	F104-H106 PolarHBondContact O-N 3.08Å; H106-H108 PolarHBondContact O-N 2.96Å; H106-H108 VanDerWaalsContact O-N 3.14Å; H106-H115 AromaticContact CE1-CE1 3.42Å; H106-H115 PolarHBondContact CE1-CE1 2.9Å; H106-H115 VanDerWaalsContact CE1-CE1 3.42Å; H106-H115 AromaticContact CE1-ND1 3.77Å; H106-H115 AromaticContact ND1-CE1 3.61Å; H106-H115 AromaticContact ND1-ND1 3.73Å
107	L	36.7	Very low	37.7	Very low	45 Å²	45	99.8 Å²	99.8	24%	0.236	52%	0.523	C	S	.	.			trans	-70.9	104	165.7	-94.6	157.8	0	0	0	106.9	L105 I109 I116 I327	L105-L107 PolarHBondContact O-N 3.36Å; L107-I109 HydrophobicContact CB-CD1 4.07Å; L107-I109 HydrophobicContact CB-CG1 4.07Å; L107-I109 HydrophobicContact CD2-CD1 4.39Å; L107-I109 HydrophobicContact CD2-CG1 4.23Å; L107-I109 PolarHBondContact O-N 3Å; L107-I116 HydrophobicContact CD1-CD1 4.36Å; L107-I327 HydrophobicContact CD1-CG2 4.04Å; L107-I327 HydrophobicContact CD2-CG2 3.31Å; L107-I327 HydrophobicContact CG-CG2 4.06Å
108	H	33.7	Very low	37.9	Very low	182 Å²	182	95.6 Å²	95.6	84%	0.843	51%	0.509	S	S	*	.			trans	-68.5	57.1	166.9	-100.9	-80.9	0	0	0	109.4	H106 K110	H106-H108 PolarHBondContact O-N 2.96Å; H106-H108 VanDerWaalsContact O-N 3.14Å; H108-K110 PolarHBondContact O-N 3.39Å
109	I	39	Very low	37.9	Very low	94 Å²	94	96 Å²	96	48%	0.482	51%	0.505	S	S	.	.			trans	-73.4	120.2	166.2	-60	166.2	0	0	0	104.5	L107 T111	L107-I109 HydrophobicContact CB-CD1 4.07Å; L107-I109 HydrophobicContact CB-CG1 4.07Å; L107-I109 HydrophobicContact CD2-CD1 4.39Å; L107-I109 HydrophobicContact CD2-CG1 4.23Å; L107-I109 PolarHBondContact O-N 3Å; I109-T111 WeakPolarHBondContact CG2-OG1 3.19Å; I109-T111 PolarHBondContact O-N 3.21Å
110	K	42.5	Very low	38	Very low	215 Å²	215	94.9 Å²	94.9	94%	0.935	50%	0.5	S	S	*	.	S	Bend	trans	-63.2	16.4	-176.5	-88.9	-178.1	174.2	177.3	0	114.4	H108	H108-K110 PolarHBondContact O-N 3.39Å
111	T	40.2	Very low	38.1	Very low	97 Å²	97	91.1 Å²	91.1	60%	0.595	48%	0.481	S	S	*	.	S	Bend	trans	-118.5	124.5	177	57.1	0	0	0	0	109.1	I109 C113	I109-T111 WeakPolarHBondContact CG2-OG1 3.19Å; I109-T111 PolarHBondContact O-N 3.21Å; T111-C113 PolarHBondContact O-N 3.24Å; T111-C113 VanDerWaalsContact O-N 3.13Å
112	N	40	Very low	38.1	Very low	147 Å²	147	92.4 Å²	92.4	79%	0.786	48%	0.483	S	S	*	.	S	Bend	trans	-9.4	96.8	179.7	-69.6	-21	0	0	0	116.7	H114	N112-H114 PolarHBondContact O-N 3.06Å; N112-H114 PolarHBondContact O-ND1 3.35Å
113	C	39.4	Very low	38.1	Very low	86 Å²	86	95 Å²	95	58%	0.581	49%	0.485	S	S	*	.			trans	37.5	70.2	154	-56.4	0	0	0	0	116.1	T111	T111-C113 PolarHBondContact O-N 3.24Å; T111-C113 VanDerWaalsContact O-N 3.13Å
114	H	38.1	Very low	38.3	Very low	136 Å²	136	95.3 Å²	95.3	63%	0.63	49%	0.487	S	S	*	.			trans	-114.4	100.6	163.2	-68.1	-9.2	0	0	0	109.3	N112	N112-H114 PolarHBondContact O-N 3.06Å; N112-H114 PolarHBondContact O-ND1 3.35Å
115	H	40	Very low	38.7	Very low	54 Å²	54	92.6 Å²	92.6	25%	0.25	48%	0.478	C	S	.	.			trans	-81.5	117.3	171.9	-61.5	-53.6	0	0	0	109.8	H106 H215	H106-H115 AromaticContact CE1-CE1 3.42Å; H106-H115 PolarHBondContact CE1-CE1 2.9Å; H106-H115 VanDerWaalsContact CE1-CE1 3.42Å; H106-H115 AromaticContact CE1-ND1 3.77Å; H106-H115 AromaticContact ND1-CE1 3.61Å; H106-H115 AromaticContact ND1-ND1 3.73Å; H115-H215 AromaticContact CE1-CE1 3.9Å; H115-H215 AromaticContact NE2-CE1 3.28Å; H115-H215 PolarHBondContact NE2-CE1 2.92Å; H115-H215 VanDerWaalsContact NE2-CE1 3.28Å; H115-H215 AromaticContact NE2-ND1 3.94Å
116	I	41.5	Very low	39.2	Very low	88 Å²	88	96.8 Å²	96.8	45%	0.451	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.2	171.5	-57.2	177.3	0	0	0	107.6	L107 V118	L107-I116 HydrophobicContact CD1-CD1 4.36Å; I116-V118 HydrophobicContact CG2-CG2 4.12Å
117	T	38.6	Very low	40	Very low	33 Å²	33	96.3 Å²	96.3	20%	0.202	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.4	175	-46	0	0	0	0	108.3	A102 F104 V119	A102-T117 HydrophobicContact CB-CG2 4.3Å; F104-T117 HydrophobicContact CD1-CG2 3.89Å; F104-T117 HydrophobicContact CE1-CG2 3.7Å; F104-T117 HydrophobicContact CZ-CG2 4.26Å; T117-V119 PolarHBondContact O-N 3.19Å
118	V	41.3	Very low	41.1	Very low	56 Å²	56	100.5 Å²	100.5	34%	0.339	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	105.9	175.4	-178	0	0	0	0	108.1	S103 L105 I116 S120	S103-V118 PolarHBondContact N-O 2.86Å; L105-V118 HydrophobicContact CD1-CG2 4.15Å; I116-V118 HydrophobicContact CG2-CG2 4.12Å; V118-S120 PolarHBondContact O-N 3.11Å
119	V	37	Very low	42.9	Very low	69 Å²	69	95.4 Å²	95.4	42%	0.418	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	96.2	173.2	-176.5	0	0	0	0	107.8	T117 T121	T117-V119 PolarHBondContact O-N 3.19Å; V119-T121 PolarHBondContact O-N 3.33Å
120	S	37.5	Very low	44.8	Very low	40 Å²	40	94 Å²	94	28%	0.28	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.3	173	72.7	0	0	0	0	109.3	L101 V118	L101-S120 PolarHBondContact N-O 3.12Å; L101-S120 PolarHBondContact O-N 3Å; L101-S120 PolarHBondContact O-OG 3.48Å; L101-S120 VanDerWaalsContact O-OG 3.12Å; V118-S120 PolarHBondContact O-N 3.11Å
121	T	40.6	Very low	46.5	Very low	33 Å²	33	83.7 Å²	83.7	20%	0.202	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	102.2	170.2	57.4	0	0	0	0	108.5	V119 F123 P202	V119-T121 PolarHBondContact O-N 3.33Å; T121-F123 WeakPolarHBondContact O-CD2 3.35Å; T121-F123 PolarHBondContact O-N 3.4Å; T121-F123 WeakPolarHBondContact OG1-CE2 3.45Å; T121-P202 HydrophobicContact CG2-CB 4.1Å; T121-P202 WeakPolarHBondContact OG1-CG 3.23Å
122	K	36.7	Very low	48.5	Very low	125 Å²	125	79.7 Å²	79.7	54%	0.543	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	115.3	170.7	-69.9	-174.9	179.2	-179	0	108.9
123	F	36.7	Very low	50.2	Low	103 Å²	103	75.1 Å²	75.1	45%	0.452	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	106.5	172.6	-64.7	-84.1	0	0	0	109.7	A96 T121 I125	A96-F123 HydrophobicContact CB-CD1 4.09Å; A96-F123 HydrophobicContact CB-CE1 4.48Å; T121-F123 WeakPolarHBondContact O-CD2 3.35Å; T121-F123 PolarHBondContact O-N 3.4Å; T121-F123 WeakPolarHBondContact OG1-CE2 3.45Å; F123-I125 PolarHBondContact O-N 3.32Å
124	C	40.1	Very low	52	Low	68 Å²	68	73.4 Å²	73.4	46%	0.459	37%	0.365	S	S	.	.			trans	-85.9	97	172.8	-66.3	0	0	0	0	110.6	K126	C124-K126 PolarHBondContact O-N 2.84Å
125	I	42.9	Very low	54	Low	83 Å²	83	67.1 Å²	67.1	43%	0.426	34%	0.336	S	S	.	.			trans	-75.3	93.6	172.5	-49.6	-177.6	0	0	0	109	L94 F123 R127	L94-I125 HydrophobicContact CD1-CD1 4.14Å; L94-I125 HydrophobicContact CD1-CG1 4.46Å; L94-I125 HydrophobicContact CD2-CG1 4.06Å; L94-I125 HydrophobicContact CG-CD1 4.15Å; L94-I125 HydrophobicContact CG-CG1 3.94Å; L94-I125 HydrophobicContact CG-CG2 4.18Å; F123-I125 PolarHBondContact O-N 3.32Å; I125-R127 VanDerWaalsContact C-N 3.32Å; I125-R127 HydrophobicContact CG2-CG 3.71Å; I125-R127 PolarHBondContact O-N 3.46Å
126	K	45.1	Very low	55.8	Low	158 Å²	158	65 Å²	65	69%	0.687	33%	0.33	S	S	*	.			trans	-77.5	82.3	169.3	-70.7	-166.1	176	-166.1	0	110.2	C124 Q128	C124-K126 PolarHBondContact O-N 2.84Å; K126-Q128 PolarHBondContact O-N 3.4Å
127	R	51.7	Low	57.4	Low	111 Å²	111	68.7 Å²	68.7	42%	0.419	34%	0.338	S	S	.	.			trans	-74.6	119	165.4	-67.2	-170.2	-179.9	170.1	-0.9	108.3	S92 I125 Y129	S92-R127 PolarHBondContact OG-NE 3.27Å; S92-R127 PolarHBondContact OG-NH2 2.96Å; I125-R127 VanDerWaalsContact C-N 3.32Å; I125-R127 HydrophobicContact CG2-CG 3.71Å; I125-R127 PolarHBondContact O-N 3.46Å; R127-Y129 HydrophobicContact CB-CD1 4.43Å; R127-Y129 HydrophobicContact CB-CD2 4.1Å; R127-Y129 HydrophobicContact CB-CE1 4.04Å; R127-Y129 HydrophobicContact CB-CE2 3.65Å; R127-Y129 HydrophobicContact CB-CG 4.47Å; R127-Y129 WeakPolarHBondContact O-CD2 3.48Å; R127-Y129 PolarHBondContact O-N 3.18Å
128	Q	61.4	Low	59.2	Low	132 Å²	132	72.9 Å²	72.9	62%	0.617	35%	0.35	S	S	*	.			trans	-75.4	102.2	160.8	-83.4	-176.4	-15.3	0	0	107.1	K126	K126-Q128 PolarHBondContact O-N 3.4Å
129	Y	71.2	Confident	60.9	Low	76 Å²	76	70.9 Å²	70.9	30%	0.298	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-78	142.9	175.6	-63.5	-82.8	0	0	0	109.9	C36 N87 R127 V131 P133	C36-Y129 VanDerWaalsContact CA-O 3.26Å; C36-Y129 WeakPolarHBondContact CA-O 3.48Å; C36-Y129 WeakPolarHBondContact CB-O 3.42Å; N87-Y129 WeakPolarHBondContact OD1-CA 3.38Å; R127-Y129 HydrophobicContact CB-CD1 4.43Å; R127-Y129 HydrophobicContact CB-CD2 4.1Å; R127-Y129 HydrophobicContact CB-CE1 4.04Å; R127-Y129 HydrophobicContact CB-CE2 3.65Å; R127-Y129 HydrophobicContact CB-CG 4.47Å; R127-Y129 WeakPolarHBondContact O-CD2 3.48Å; R127-Y129 PolarHBondContact O-N 3.18Å; Y129-V131 VanDerWaalsContact C-N 3.27Å; Y129-V131 WeakPolarHBondContact CB-O 3.5Å; Y129-P133 HydrophobicContact CE1-CG 4.35Å
130	W	78	Confident	62.5	Low	63 Å²	63	73 Å²	73	24%	0.239	34%	0.341	C	S	.	.	S	Bend	trans	-59.6	-42.6	163.5	-73.9	92.8	0	0	0	110.7	W37 F38 I41 L86 N87 C90 I412	W37-W130 CarbonylContact C-O 3.54Å; W37-W130 VanDerWaalsContact C-O 3.25Å; W37-W130 VanDerWaalsContact CA-O 3.31Å; W37-W130 WeakPolarHBondContact CA-O 3.44Å; W37-W130 HydrophobicContact CB-CE3 3.99Å; W37-W130 HydrophobicContact CG-CE3 4.37Å; W37-W130 PolarHBondContact N-O 3.23Å; F38-W130 PolarHBondContact N-O 3.5Å; F38-W130 VanDerWaalsContact N-O 3.11Å; I41-W130 HydrophobicContact CD1-CB 4.27Å; I41-W130 HydrophobicContact CD1-CE3 4.17Å; I41-W130 HydrophobicContact CG1-CE3 4.44Å; L86-W130 HydrophobicContact CB-CB 4.05Å; L86-W130 HydrophobicContact CB-CD2 4.01Å; L86-W130 HydrophobicContact CB-CG 3.63Å; L86-W130 HydrophobicContact CD1-CD2 3.89Å; L86-W130 HydrophobicContact CD1-CE3 3.86Å; L86-W130 HydrophobicContact CD1-CG 4.26Å; L86-W130 HydrophobicContact CD1-CZ3 4.28Å; N87-W130 WeakPolarHBondContact OD1-CA 3.38Å; N87-W130 WeakPolarHBondContact OD1-CB 3.46Å; N87-W130 PolarHBondContact OD1-N 3.2Å; C90-W130 PolarHBondContact SG-NE1 2.98Å; W130-I412 HydrophobicContact CH2-CD1 4.34Å
131	V	79.4	Confident	64	Low	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-137.5	129.8	171.1	172.5	0	0	0	0	109.4	F38 I41 V80 F84 N87 Y129 H135	F38-V131 HydrophobicContact CB-CG2 4.15Å; F38-V131 HydrophobicContact CD2-CG1 4.45Å; F38-V131 HydrophobicContact CD2-CG2 4.07Å; I41-V131 HydrophobicContact CD1-CG2 3.98Å; V80-V131 HydrophobicContact CG1-CG1 4.38Å; V80-V131 HydrophobicContact CG2-CG1 4.26Å; F84-V131 HydrophobicContact CD1-CB 4.14Å; F84-V131 HydrophobicContact CD1-CG1 4.14Å; F84-V131 HydrophobicContact CE1-CB 4.19Å; F84-V131 HydrophobicContact CE1-CG1 3.77Å; N87-V131 PolarHBondContact ND2-O 3.3Å; Y129-V131 VanDerWaalsContact C-N 3.27Å; Y129-V131 WeakPolarHBondContact CB-O 3.5Å; V131-H135 HydrophobicContact CG1-CB 3.69Å
132	C	81.1	Confident	65.4	Low	12 Å²	12	73.2 Å²	73.2	8%	0.081	34%	0.338	C	S	.	.			trans	-61.2	140.5	178.1	-67.9	0	0	0	0	111.3	C36 S134 H135	C36-C132 VanDerWaalsContact CB-SG 3.5Å; C36-C132 VanDerWaalsContact SG-SG 3.67Å; C132-S134 WeakPolarHBondContact CB-OG 3.3Å; C132-S134 PolarHBondContact O-N 3.4Å; C132-S134 VanDerWaalsContact O-N 3.16Å; C132-H135 VanDerWaalsContact O-CB 3.28Å; C132-H135 WeakPolarHBondContact O-CB 3.28Å; C132-H135 PolarHBondContact O-N 3.37Å
133	P	76.3	Confident	66.9	Low	51 Å²	51	67.5 Å²	67.5	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-56.9	-30.4	172.9	-25.9	34.4	0	0	0	113.4	Y129 H135 G136 R137	Y129-P133 HydrophobicContact CE1-CG 4.35Å; P133-H135 PolarHBondContact O-N 3.11Å; P133-G136 PolarHBondContact O-N 2.67Å; P133-R137 PolarHBondContact O-N 3.32Å
134	S	77.5	Confident	68.2	Low	50 Å²	50	65.9 Å²	65.9	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-27.9	173.1	53.3	0	0	0	0	113.6	C132 R138	C132-S134 WeakPolarHBondContact CB-OG 3.3Å; C132-S134 PolarHBondContact O-N 3.4Å; C132-S134 VanDerWaalsContact O-N 3.16Å; S134-R138 WeakPolarHBondContact O-CB 3.3Å; S134-R138 WeakPolarHBondContact O-CG 3.33Å; S134-R138 PolarHBondContact O-N 3.29Å
135	H	80.5	Confident	69	Low	4 Å²	4	65.1 Å²	65.1	2%	0.019	30%	0.3	C	S	.	.	H	α-helix	trans	-69.6	-44.6	178.3	-69.2	-168.6	0	0	0	111.5	L30 C33 C36 F38 V80 V131 C132 P133 R137 R138 L139	L30-H135 HydrophobicContact CD2-CB 3.49Å; L30-H135 VanDerWaalsContact CD2-CB 3.49Å; L30-H135 VanDerWaalsContact CD2-CD2 3.46Å; L30-H135 WeakPolarHBondContact CD2-CD2 3.46Å; C33-H135 WeakPolarHBondContact CB-CE1 3.35Å; C33-H135 WeakPolarHBondContact CB-NE2 3.35Å; C33-H135 VanDerWaalsContact SG-CE1 3.51Å; C33-H135 PolarHBondContact SG-NE2 3.06Å; C36-H135 PolarHBondContact SG-CE1 3.01Å; F38-H135 AromaticContact CG-ND1 3.87Å; V80-H135 HydrophobicContact CG2-CB 4.49Å; V131-H135 HydrophobicContact CG1-CB 3.69Å; C132-H135 VanDerWaalsContact O-CB 3.28Å; C132-H135 WeakPolarHBondContact O-CB 3.28Å; C132-H135 PolarHBondContact O-N 3.37Å; P133-H135 PolarHBondContact O-N 3.11Å; H135-R137 VanDerWaalsContact C-N 3.32Å; H135-R138 PolarHBondContact O-N 3.15Å; H135-L139 VanDerWaalsContact O-CB 3.31Å; H135-L139 WeakPolarHBondContact O-CB 3.46Å; H135-L139 PolarHBondContact O-N 2.99Å
136	G	76.1	Confident	69.5	Low	11 Å²	11	62.5 Å²	62.5	11%	0.113	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-38.4	175.2	0	0	0	0	0	112.1	P133 L139 F140	P133-G136 PolarHBondContact O-N 2.67Å; G136-L139 PolarHBondContact O-N 3.28Å; G136-F140 WeakPolarHBondContact O-CB 3.21Å; G136-F140 PolarHBondContact O-N 3.04Å
137	R	75.3	Confident	69.8	Low	164 Å²	164	58.2 Å²	58.2	62%	0.619	29%	0.29	S	S	*	.	H	α-helix	trans	-61.2	-54.3	173	-76	-173.2	-83	-149.4	1.3	112.1	P133 H135 L139 F140 D141	P133-R137 PolarHBondContact O-N 3.32Å; H135-R137 VanDerWaalsContact C-N 3.32Å; R137-L139 VanDerWaalsContact C-N 3.25Å; R137-L139 PolarHBondContact O-N 3.18Å; R137-F140 CarbonylContact O-C 3.44Å; R137-F140 WeakPolarHBondContact O-CA 3.28Å; R137-F140 WeakPolarHBondContact O-CB 3.33Å; R137-F140 PolarHBondContact O-N 2.98Å; R137-D141 WeakPolarHBondContact O-CB 3.28Å; R137-D141 PolarHBondContact O-N 3.25Å
138	R	77	Confident	69.5	Low	122 Å²	122	60 Å²	60	46%	0.46	31%	0.307	S	S	.	.	H	α-helix	trans	-56	-40.3	178.2	-75.3	179.6	179.5	-173.2	-2	113.2	S134 H135 L142	S134-R138 WeakPolarHBondContact O-CB 3.3Å; S134-R138 WeakPolarHBondContact O-CG 3.33Å; S134-R138 PolarHBondContact O-N 3.29Å; H135-R138 PolarHBondContact O-N 3.15Å; R138-L142 WeakPolarHBondContact O-CB 3.35Å; R138-L142 PolarHBondContact O-N 3.3Å
139	L	75.8	Confident	68.6	Low	14 Å²	14	59.7 Å²	59.7	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-72	-36.5	178	-177.7	138.1	0	0	0	111.5	L30 A76 I77 V80 H135 G136 R137 L143	L30-L139 HydrophobicContact CD1-CD1 4.5Å; A76-L139 HydrophobicContact CB-CD1 4.26Å; I77-L139 HydrophobicContact CG1-CD1 3.92Å; I77-L139 HydrophobicContact CG1-CD2 4Å; I77-L139 HydrophobicContact CG1-CG 4.36Å; V80-L139 HydrophobicContact CG2-CD1 4.25Å; H135-L139 VanDerWaalsContact O-CB 3.31Å; H135-L139 WeakPolarHBondContact O-CB 3.46Å; H135-L139 PolarHBondContact O-N 2.99Å; G136-L139 PolarHBondContact O-N 3.28Å; R137-L139 VanDerWaalsContact C-N 3.25Å; R137-L139 PolarHBondContact O-N 3.18Å; L139-L143 HydrophobicContact CD2-CD1 3.58Å; L139-L143 HydrophobicContact CG-CD1 4.04Å; L139-L143 VanDerWaalsContact O-CB 3.28Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 WeakPolarHBondContact O-CD1 3.39Å; L139-L143 WeakPolarHBondContact O-CG 3.37Å; L139-L143 PolarHBondContact O-N 2.98Å; L139-L143 VanDerWaalsContact O-N 3.09Å
140	F	71.9	Confident	66.8	Low	112 Å²	112	61 Å²	61	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-45.7	172.7	-175.1	-89.3	0	0	0	111.6	G136 R137 L142 L143 Y144	G136-F140 WeakPolarHBondContact O-CB 3.21Å; G136-F140 PolarHBondContact O-N 3.04Å; R137-F140 CarbonylContact O-C 3.44Å; R137-F140 WeakPolarHBondContact O-CA 3.28Å; R137-F140 WeakPolarHBondContact O-CB 3.33Å; R137-F140 PolarHBondContact O-N 2.98Å; F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 PolarHBondContact O-N 3.13Å; F140-L143 PolarHBondContact O-N 3.11Å; F140-L143 VanDerWaalsContact O-N 3.09Å; F140-Y144 HydrophobicContact CD1-CD2 4.4Å; F140-Y144 AromaticContact CD2-CD2 3.38Å; F140-Y144 HydrophobicContact CD2-CD2 3.38Å; F140-Y144 AromaticContact CD2-CE2 3.81Å; F140-Y144 HydrophobicContact CD2-CE2 3.81Å; F140-Y144 HydrophobicContact CD2-CG 4.34Å; F140-Y144 HydrophobicContact CE1-CD2 4.45Å; F140-Y144 AromaticContact CE2-CD2 3.44Å; F140-Y144 HydrophobicContact CE2-CD2 3.44Å; F140-Y144 VanDerWaalsContact CE2-CD2 3.44Å; F140-Y144 AromaticContact CE2-CE2 3.92Å; F140-Y144 HydrophobicContact CE2-CE2 3.92Å; F140-Y144 HydrophobicContact CE2-CG 4.04Å; F140-Y144 AromaticContact CG-CD2 3.9Å; F140-Y144 HydrophobicContact CG-CD2 3.9Å; F140-Y144 AromaticContact CZ-CD2 4Å; F140-Y144 HydrophobicContact CZ-CD2 4Å; F140-Y144 HydrophobicContact CZ-CG 4.19Å; F140-Y144 WeakPolarHBondContact O-CB 3.5Å; F140-Y144 WeakPolarHBondContact O-CD2 3.44Å; F140-Y144 PolarHBondContact O-N 3Å
141	D	68.9	Low	64.9	Low	77 Å²	77	65 Å²	65	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-59	-45.4	177.8	-59.4	-24.2	0	0	0	110.2	R137 L143 C145	R137-D141 WeakPolarHBondContact O-CB 3.28Å; R137-D141 PolarHBondContact O-N 3.25Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 3.31Å; D141-C145 HydrophobicContact CB-CB 4.38Å; D141-C145 WeakPolarHBondContact O-CA 3.24Å; D141-C145 VanDerWaalsContact O-CB 3.3Å; D141-C145 WeakPolarHBondContact O-CB 3.4Å; D141-C145 PolarHBondContact O-N 3.25Å; D141-C145 VanDerWaalsContact O-O 3.12Å
142	L	69.6	Low	62.9	Low	1 Å²	1	70.7 Å²	70.7	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-58.3	-42.3	173.9	177.6	60.6	0	0	0	113.1	I26 L73 R138 F140 G171 Q172 S173	I26-L142 HydrophobicContact CB-CD2 4.18Å; I26-L142 HydrophobicContact CD1-CB 3.65Å; I26-L142 HydrophobicContact CD1-CD1 3.48Å; I26-L142 VanDerWaalsContact CD1-CD1 3.48Å; I26-L142 HydrophobicContact CD1-CD2 3.59Å; I26-L142 HydrophobicContact CD1-CG 3.7Å; I26-L142 HydrophobicContact CG1-CD2 4.48Å; I26-L142 HydrophobicContact CG2-CD2 4.13Å; L73-L142 HydrophobicContact CD1-CD2 4.12Å; R138-L142 WeakPolarHBondContact O-CB 3.35Å; R138-L142 PolarHBondContact O-N 3.3Å; F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 PolarHBondContact O-N 3.13Å; L142-G171 CarbonylContact O-C 3.25Å; L142-G171 WeakPolarHBondContact O-CA 3.45Å; L142-Q172 HydrophobicContact CD1-CB 4Å; L142-Q172 PolarHBondContact O-N 3.46Å; L142-S173 PolarHBondContact O-N 2.88Å
143	L	68	Low	60.9	Low	6 Å²	6	78.9 Å²	78.9	3%	0.031	42%	0.423	C	S	.	.	H	α-helix	trans	-84.3	-27	-171.5	-75.1	178	0	0	0	113.6	L73 I77 L139 F140 D141 G171 F175 F176	L73-L143 HydrophobicContact CD2-CD2 4.2Å; I77-L143 HydrophobicContact CD1-CD1 3.89Å; I77-L143 HydrophobicContact CG1-CD1 4.13Å; L139-L143 HydrophobicContact CD2-CD1 3.58Å; L139-L143 HydrophobicContact CG-CD1 4.04Å; L139-L143 VanDerWaalsContact O-CB 3.28Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 WeakPolarHBondContact O-CD1 3.39Å; L139-L143 WeakPolarHBondContact O-CG 3.37Å; L139-L143 PolarHBondContact O-N 2.98Å; L139-L143 VanDerWaalsContact O-N 3.09Å; F140-L143 PolarHBondContact O-N 3.11Å; F140-L143 VanDerWaalsContact O-N 3.09Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 3.31Å; L143-G171 VanDerWaalsContact C-CA 3.44Å; L143-G171 VanDerWaalsContact O-CA 3.29Å; L143-G171 WeakPolarHBondContact O-CA 3.42Å; L143-G171 PolarHBondContact O-N 2.92Å; L143-F175 HydrophobicContact CD2-CB 4.34Å; L143-F175 HydrophobicContact CD2-CD1 4.16Å; L143-F176 HydrophobicContact CB-CE2 3.96Å; L143-F176 HydrophobicContact CD2-CD2 4.32Å; L143-F176 HydrophobicContact CD2-CE2 3.7Å; L143-F176 HydrophobicContact CD2-CZ 4.23Å; L143-F176 HydrophobicContact CG-CE2 4.26Å
144	Y	63.6	Low	58.9	Low	69 Å²	69	87.2 Å²	87.2	27%	0.271	45%	0.448	S	S	.	.	H	α-helix	trans	-134	-15.8	-168.5	-60.2	-72.2	0	0	0	115.1	F140 I168 P169 F176	F140-Y144 HydrophobicContact CD1-CD2 4.4Å; F140-Y144 AromaticContact CD2-CD2 3.38Å; F140-Y144 HydrophobicContact CD2-CD2 3.38Å; F140-Y144 AromaticContact CD2-CE2 3.81Å; F140-Y144 HydrophobicContact CD2-CE2 3.81Å; F140-Y144 HydrophobicContact CD2-CG 4.34Å; F140-Y144 HydrophobicContact CE1-CD2 4.45Å; F140-Y144 AromaticContact CE2-CD2 3.44Å; F140-Y144 HydrophobicContact CE2-CD2 3.44Å; F140-Y144 VanDerWaalsContact CE2-CD2 3.44Å; F140-Y144 AromaticContact CE2-CE2 3.92Å; F140-Y144 HydrophobicContact CE2-CE2 3.92Å; F140-Y144 HydrophobicContact CE2-CG 4.04Å; F140-Y144 AromaticContact CG-CD2 3.9Å; F140-Y144 HydrophobicContact CG-CD2 3.9Å; F140-Y144 AromaticContact CZ-CD2 4Å; F140-Y144 HydrophobicContact CZ-CD2 4Å; F140-Y144 HydrophobicContact CZ-CG 4.19Å; F140-Y144 WeakPolarHBondContact O-CB 3.5Å; F140-Y144 WeakPolarHBondContact O-CD2 3.44Å; F140-Y144 PolarHBondContact O-N 3Å; Y144-I168 HydrophobicContact CD1-CG2 3.9Å; Y144-I168 HydrophobicContact CE1-CG2 3.7Å; Y144-P169 HydrophobicContact CD1-CG 4.47Å; Y144-P169 WeakPolarHBondContact O-CB 3.15Å; Y144-F176 HydrophobicContact CE1-CE2 4.07Å; Y144-F176 HydrophobicContact CE1-CZ 4.36Å
145	C	57.2	Low	57.2	Low	52 Å²	52	93.7 Å²	93.7	35%	0.351	47%	0.473	S	S	.	.			trans	-103.9	100.4	178.5	-62	0	0	0	0	109.9	D141	D141-C145 HydrophobicContact CB-CB 4.38Å; D141-C145 WeakPolarHBondContact O-CA 3.24Å; D141-C145 VanDerWaalsContact O-CB 3.3Å; D141-C145 WeakPolarHBondContact O-CB 3.4Å; D141-C145 PolarHBondContact O-N 3.25Å; D141-C145 VanDerWaalsContact O-O 3.12Å
146	S	53.1	Low	55.2	Low	27 Å²	27	101 Å²	101	19%	0.189	51%	0.512	C	S	.	.			trans	-87.4	145	158.8	49.2	0	0	0	0	109.8	D148 F149 Q170	S146-D148 PolarHBondContact O-N 3.5Å; S146-F149 WeakPolarHBondContact O-CD2 3.36Å; S146-F149 WeakPolarHBondContact O-CE2 3.3Å; S146-Q170 WeakPolarHBondContact CB-O 3.26Å; S146-Q170 PolarHBondContact N-O 2.84Å; S146-Q170 PolarHBondContact OG-O 3.43Å
147	G	52.9	Low	53.4	Low	69 Å²	69	109 Å²	109	71%	0.711	55%	0.546	S	S	*	.	S	Bend	trans	-69.3	-21.7	170.5	0	0	0	0	0	112.6
148	D	45.1	Very low	51.6	Low	148 Å²	148	108 Å²	108	79%	0.791	55%	0.552	S	S	*	*			trans	-116.3	69.4	-165.6	-55.4	-29.8	0	0	0	110.7	S146 S150	S146-D148 PolarHBondContact O-N 3.5Å; D148-S150 PolarHBondContact O-N 3.03Å; D148-S150 VanDerWaalsContact O-N 3.13Å
149	F	41.2	Very low	49.8	Very low	126 Å²	126	107.9 Å²	107.9	55%	0.553	56%	0.561	S	S	*	*			trans	-77.8	88.7	167.4	-73.3	-83.3	0	0	0	109.8	S146 P169	S146-F149 WeakPolarHBondContact O-CD2 3.36Å; S146-F149 WeakPolarHBondContact O-CE2 3.3Å; F149-P169 HydrophobicContact CE1-CB 3.49Å; F149-P169 VanDerWaalsContact CE1-CB 3.49Å; F149-P169 HydrophobicContact CZ-CB 3.49Å; F149-P169 VanDerWaalsContact CZ-CB 3.49Å
150	S	34.7	Very low	48.3	Very low	104 Å²	104	113.7 Å²	113.7	73%	0.727	59%	0.586	S	S	*	*			trans	-95.4	98.7	154.8	60.9	0	0	0	0	108.1	D148 P152	D148-S150 PolarHBondContact O-N 3.03Å; D148-S150 VanDerWaalsContact O-N 3.13Å; S150-P152 VanDerWaalsContact O-CD 3.28Å; S150-P152 WeakPolarHBondContact O-CD 3.26Å
151	I	38	Very low	46.9	Very low	145 Å²	145	114.4 Å²	114.4	74%	0.744	60%	0.595	S	S	*	*			trans	-59.8	117.9	167.7	-59.5	169.4	0	0	0	106.1	E153	I151-E153 PolarHBondContact O-N 3.29Å
152	P	38.1	Very low	45.4	Very low	120 Å²	120	116.3 Å²	116.3	78%	0.779	60%	0.604	S	S	*	*			trans	-72	99.9	174.8	-5.3	21	0	0	0	107.7	S150 R154	S150-P152 VanDerWaalsContact O-CD 3.28Å; S150-P152 WeakPolarHBondContact O-CD 3.26Å; P152-R154 VanDerWaalsContact C-N 3.35Å; P152-R154 PolarHBondContact O-N 3.28Å; P152-R154 VanDerWaalsContact O-N 3.08Å
153	E	37.1	Very low	44.3	Very low	184 Å²	184	119 Å²	119	86%	0.86	62%	0.621	S	S	*	*			trans	-69.2	94.2	162.6	-71.3	-178.5	172.2	0	0	107.6	I151	I151-E153 PolarHBondContact O-N 3.29Å
154	R	36.3	Very low	43	Very low	227 Å²	227	122.9 Å²	122.9	86%	0.857	64%	0.641	S	S	*	*			trans	-138.8	118.8	155.6	-81.8	-159.1	-179.3	-177.8	0	111.6	P152 D156	P152-R154 VanDerWaalsContact C-N 3.35Å; P152-R154 PolarHBondContact O-N 3.28Å; P152-R154 VanDerWaalsContact O-N 3.08Å; R154-D156 PolarHBondContact O-N 2.89Å
155	E	39.9	Very low	41.6	Very low	186 Å²	186	128.7 Å²	128.7	87%	0.869	66%	0.662	S	S	*	*			trans	-52.2	110	153.6	-60.9	169.4	165.6	0	0	107.3
156	D	40	Very low	41	Very low	156 Å²	156	130.6 Å²	130.6	83%	0.834	68%	0.676	S	S	*	*			trans	-168.5	138.9	146.5	-87.6	-29.7	0	0	0	109	R154	R154-D156 PolarHBondContact O-N 2.89Å
157	E	37.4	Very low	40.7	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	70%	0.698	S	S	*	*			trans	-60.4	137	-165.2	-67	171.5	139	0	0	114
158	L	38.5	Very low	40.2	Very low	144 Å²	144	135.8 Å²	135.8	75%	0.754	68%	0.683	S	S	*	*			trans	58	77	149.9	-61	165.4	0	0	0	116.7	F160	L158-F160 HydrophobicContact CD2-CE2 4.36Å
159	D	37.8	Very low	40.2	Very low	120 Å²	120	131.1 Å²	131.1	64%	0.642	66%	0.661	S	S	*	*			trans	-135.8	103.1	152.8	-137.5	-5.2	0	0	0	111.4	D161 L162	D159-D161 PolarHBondContact O-N 2.99Å; D159-L162 PolarHBondContact O-N 3.12Å
160	F	44	Very low	40.7	Very low	135 Å²	135	130.7 Å²	130.7	59%	0.592	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-9.3	-176	-75.9	-89	0	0	0	113.7	L158 L162 T163	L158-F160 HydrophobicContact CD2-CE2 4.36Å; F160-L162 PolarHBondContact O-N 3.04Å; F160-T163 PolarHBondContact O-OG1 3.34Å
161	D	42.6	Very low	41.7	Very low	127 Å²	127	126.2 Å²	126.2	68%	0.679	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-14.8	175.8	-87.9	-7.8	0	0	0	113.3	D159	D159-D161 PolarHBondContact O-N 2.99Å
162	L	39.2	Very low	42.7	Very low	117 Å²	117	124.8 Å²	124.8	61%	0.613	62%	0.621	S	S	*	*	H	α-helix	trans	-81.7	-20.4	178	-79.3	161	0	0	0	114.2	D159 F160 I164 R165 S166	D159-L162 PolarHBondContact O-N 3.12Å; F160-L162 PolarHBondContact O-N 3.04Å; L162-I164 PolarHBondContact O-N 3.42Å; L162-R165 PolarHBondContact O-N 2.7Å; L162-S166 PolarHBondContact O-N 3.39Å; L162-S166 PolarHBondContact O-OG 2.83Å
163	T	44.5	Very low	43.5	Very low	59 Å²	59	119.4 Å²	119.4	36%	0.362	59%	0.586	S	S	.	*	H	α-helix	trans	-69.5	-33	-170.4	7.8	0	0	0	0	114	F160 S166 I167	F160-T163 PolarHBondContact O-OG1 3.34Å; T163-S166 WeakPolarHBondContact CA-OG 3.24Å; T163-S166 PolarHBondContact O-OG 2.83Å; T163-S166 VanDerWaalsContact O-OG 3.11Å; T163-I167 WeakPolarHBondContact O-CD1 3.5Å; T163-I167 WeakPolarHBondContact O-CG1 3.31Å; T163-I167 PolarHBondContact O-N 2.91Å
164	I	41.7	Very low	44.5	Very low	86 Å²	86	113.5 Å²	113.5	44%	0.441	56%	0.561	S	S	.	*	H	α-helix	trans	-72.1	-37.8	175.5	-54.1	175.2	0	0	0	110.3	L162 I167 I168	L162-I164 PolarHBondContact O-N 3.42Å; I164-I167 PolarHBondContact O-N 3.16Å; I164-I168 HydrophobicContact CG2-CD1 3.94Å; I164-I168 PolarHBondContact O-N 3.08Å
165	R	33.4	Very low	45.3	Very low	192 Å²	192	104 Å²	104	73%	0.725	53%	0.526	S	S	*	.	H	α-helix	trans	-72.7	-27.4	-179.4	-71.5	-172.3	175.4	-177.3	2	112.9	L162	L162-R165 PolarHBondContact O-N 2.7Å
166	S	45.9	Very low	46	Very low	92 Å²	92	99.4 Å²	99.4	64%	0.643	50%	0.503	S	S	*	.	H	α-helix	trans	-78.6	-25.2	173.2	63.4	0	0	0	0	113.2	L162 T163	L162-S166 PolarHBondContact O-N 3.39Å; L162-S166 PolarHBondContact O-OG 2.83Å; T163-S166 WeakPolarHBondContact CA-OG 3.24Å; T163-S166 PolarHBondContact O-OG 2.83Å; T163-S166 VanDerWaalsContact O-OG 3.11Å
167	I	46	Very low	46.4	Very low	128 Å²	128	99.7 Å²	99.7	66%	0.656	49%	0.492	S	S	*	.	H	α-helix	trans	-87.2	-34.8	-179.2	-64.2	166.6	0	0	0	112.1	T163 I164 P169	T163-I167 WeakPolarHBondContact O-CD1 3.5Å; T163-I167 WeakPolarHBondContact O-CG1 3.31Å; T163-I167 PolarHBondContact O-N 2.91Å; I164-I167 PolarHBondContact O-N 3.16Å; I167-P169 WeakPolarHBondContact O-CD 3.27Å
168	I	43.2	Very low	46.7	Very low	76 Å²	76	95.8 Å²	95.8	39%	0.39	49%	0.485	S	S	.	.	S	Bend	trans	-100.2	106.9	-179.5	-55.4	178.1	0	0	0	108.7	Y144 I164 Q170	Y144-I168 HydrophobicContact CD1-CG2 3.9Å; Y144-I168 HydrophobicContact CE1-CG2 3.7Å; I164-I168 HydrophobicContact CG2-CD1 3.94Å; I164-I168 PolarHBondContact O-N 3.08Å; I168-Q170 PolarHBondContact O-N 2.78Å
169	P	45.2	Very low	46.9	Very low	51 Å²	51	92.9 Å²	92.9	33%	0.331	47%	0.473	S	S	.	.			trans	-57.9	131.5	179.5	22.8	-32.2	0	0	0	110.4	Y144 F149 I167 G171	Y144-P169 HydrophobicContact CD1-CG 4.47Å; Y144-P169 WeakPolarHBondContact O-CB 3.15Å; F149-P169 HydrophobicContact CE1-CB 3.49Å; F149-P169 VanDerWaalsContact CE1-CB 3.49Å; F149-P169 HydrophobicContact CZ-CB 3.49Å; F149-P169 VanDerWaalsContact CZ-CB 3.49Å; I167-P169 WeakPolarHBondContact O-CD 3.27Å; P169-G171 PolarHBondContact O-N 3.2Å; P169-G171 VanDerWaalsContact O-N 3.15Å
170	Q	50.9	Low	46.7	Very low	117 Å²	117	95.1 Å²	95.1	55%	0.547	48%	0.48	S	S	.	.			trans	-67.1	112.5	-179.1	-168.1	170.9	20.5	0	0	108.4	S146 I168	S146-Q170 WeakPolarHBondContact CB-O 3.26Å; S146-Q170 PolarHBondContact N-O 2.84Å; S146-Q170 PolarHBondContact OG-O 3.43Å; I168-Q170 PolarHBondContact O-N 2.78Å
171	G	55.1	Low	46.2	Very low	9 Å²	9	95.9 Å²	95.9	9%	0.093	49%	0.489	C	S	.	.			trans	-75	178.6	169.2	0	0	0	0	0	113	L142 L143 P169 S173	L142-G171 CarbonylContact O-C 3.25Å; L142-G171 WeakPolarHBondContact O-CA 3.45Å; L143-G171 VanDerWaalsContact C-CA 3.44Å; L143-G171 VanDerWaalsContact O-CA 3.29Å; L143-G171 WeakPolarHBondContact O-CA 3.42Å; L143-G171 PolarHBondContact O-N 2.92Å; P169-G171 PolarHBondContact O-N 3.2Å; P169-G171 VanDerWaalsContact O-N 3.15Å; G171-S173 PolarHBondContact O-N 2.92Å
172	Q	60.3	Low	45.6	Very low	115 Å²	115	95.5 Å²	95.5	54%	0.537	50%	0.496	S	S	.	.	S	Bend	trans	-70.1	-18	174.8	-65.2	-178.7	-3	0	0	113.6	L142	L142-Q172 HydrophobicContact CD1-CB 4Å; L142-Q172 PolarHBondContact O-N 3.46Å
173	S	55.4	Low	45.2	Very low	7 Å²	7	95.8 Å²	95.8	5%	0.049	51%	0.508	C	S	.	.			trans	-84.9	134.9	-179.5	-179.9	0	0	0	0	112.5	D23 L73 L142 G171 F175	D23-S173 VanDerWaalsContact CG-OG 3.26Å; D23-S173 WeakPolarHBondContact OD1-CB 3.43Å; D23-S173 PolarHBondContact OD1-OG 2.69Å; D23-S173 PolarHBondContact OD2-OG 3.39Å; L73-S173 WeakPolarHBondContact CD2-OG 3.44Å; L142-S173 PolarHBondContact O-N 2.88Å; G171-S173 PolarHBondContact O-N 2.92Å; S173-F175 PolarHBondContact O-N 3.26Å; S173-F175 VanDerWaalsContact O-N 3.16Å; S173-F175 WeakPolarHBondContact OG-CB 3.21Å; S173-F175 PolarHBondContact OG-N 3.34Å; S173-F175 VanDerWaalsContact OG-N 3.13Å
174	D	57.1	Low	44.6	Very low	61 Å²	61	98.8 Å²	98.8	33%	0.326	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-70.4	-2.8	171.6	-67.7	-39.3	0	0	0	112.8	P20 F176 R177	P20-D174 HydrophobicContact CG-CB 4.01Å; P20-D174 WeakPolarHBondContact CG-OD2 3.32Å; D174-F176 VanDerWaalsContact C-N 3.33Å; D174-F176 PolarHBondContact O-N 3.24Å; D174-R177 WeakPolarHBondContact O-CA 3.48Å; D174-R177 VanDerWaalsContact O-CB 3.23Å; D174-R177 WeakPolarHBondContact O-CB 3.36Å; D174-R177 PolarHBondContact O-N 3.07Å; D174-R177 WeakPolarHBondContact OD1-CD 3.39Å; D174-R177 IonicContact OD1-CZ 3.05Å; D174-R177 IonicContact OD1-NE 3.16Å; D174-R177 PolarHBondContact OD1-NE 3.47Å; D174-R177 VanDerWaalsContact OD1-NE 3.16Å; D174-R177 IonicContact OD1-NH1 3.56Å; D174-R177 PolarHBondContact OD1-NH1 3.16Å; D174-R177 IonicContact OD1-NH2 2.72Å
175	F	54	Low	44.2	Very low	28 Å²	28	100.2 Å²	100.2	12%	0.123	55%	0.549	C	S	.	.	G	3₁₀ helix	trans	-54.3	-42.5	-173.1	-177.2	-106	0	0	0	114.3	H71 L73 T74 I77 L143 S173 R177 S178 V179	H71-F175 HydrophobicContact CB-CE2 4.42Å; H71-F175 AromaticContact CE1-CD2 3.85Å; H71-F175 AromaticContact ND1-CD2 3.62Å; H71-F175 AromaticContact ND1-CE2 3.57Å; L73-F175 HydrophobicContact CB-CD2 4.18Å; L73-F175 HydrophobicContact CB-CE2 4.37Å; L73-F175 HydrophobicContact CD2-CB 3.57Å; L73-F175 HydrophobicContact CD2-CD1 4.39Å; L73-F175 HydrophobicContact CD2-CD2 3.73Å; L73-F175 HydrophobicContact CD2-CG 3.64Å; L73-F175 HydrophobicContact CG-CD2 4.3Å; L73-F175 HydrophobicContact CG-CG 4.48Å; T74-F175 WeakPolarHBondContact OG1-CE2 3.46Å; T74-F175 WeakPolarHBondContact OG1-CZ 3.18Å; I77-F175 HydrophobicContact CD1-CD1 4.3Å; I77-F175 HydrophobicContact CD1-CE1 3.76Å; I77-F175 HydrophobicContact CD1-CZ 4.11Å; L143-F175 HydrophobicContact CD2-CB 4.34Å; L143-F175 HydrophobicContact CD2-CD1 4.16Å; S173-F175 PolarHBondContact O-N 3.26Å; S173-F175 VanDerWaalsContact O-N 3.16Å; S173-F175 WeakPolarHBondContact OG-CB 3.21Å; S173-F175 PolarHBondContact OG-N 3.34Å; S173-F175 VanDerWaalsContact OG-N 3.13Å; F175-R177 VanDerWaalsContact C-N 3.31Å; F175-S178 PolarHBondContact O-OG 3.4Å; F175-V179 WeakPolarHBondContact O-CG2 3.49Å
176	F	54	Low	44.2	Very low	89 Å²	89	98.7 Å²	98.7	39%	0.39	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-80.7	-9.4	177.2	-64.2	-63.9	0	0	0	113.6	L143 Y144 D174 S178	L143-F176 HydrophobicContact CB-CE2 3.96Å; L143-F176 HydrophobicContact CD2-CD2 4.32Å; L143-F176 HydrophobicContact CD2-CE2 3.7Å; L143-F176 HydrophobicContact CD2-CZ 4.23Å; L143-F176 HydrophobicContact CG-CE2 4.26Å; Y144-F176 HydrophobicContact CE1-CE2 4.07Å; Y144-F176 HydrophobicContact CE1-CZ 4.36Å; D174-F176 VanDerWaalsContact C-N 3.33Å; D174-F176 PolarHBondContact O-N 3.24Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 2.81Å
177	R	49	Very low	43.8	Very low	161 Å²	161	102.8 Å²	102.8	61%	0.608	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69.8	-28.4	176.6	-62.6	-176	177.4	178.4	-11.4	112.1	D174 F175	D174-R177 WeakPolarHBondContact O-CA 3.48Å; D174-R177 VanDerWaalsContact O-CB 3.23Å; D174-R177 WeakPolarHBondContact O-CB 3.36Å; D174-R177 PolarHBondContact O-N 3.07Å; D174-R177 WeakPolarHBondContact OD1-CD 3.39Å; D174-R177 IonicContact OD1-CZ 3.05Å; D174-R177 IonicContact OD1-NE 3.16Å; D174-R177 PolarHBondContact OD1-NE 3.47Å; D174-R177 VanDerWaalsContact OD1-NE 3.16Å; D174-R177 IonicContact OD1-NH1 3.56Å; D174-R177 PolarHBondContact OD1-NH1 3.16Å; D174-R177 IonicContact OD1-NH2 2.72Å; F175-R177 VanDerWaalsContact C-N 3.31Å
178	S	43.1	Very low	43.1	Very low	97 Å²	97	101.6 Å²	101.6	68%	0.678	57%	0.567	S	S	*	*	S	Bend	trans	-96.1	-4.3	-177.3	52.6	0	0	0	0	115.3	F175 F176 Q180	F175-S178 PolarHBondContact O-OG 3.4Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 2.81Å; S178-Q180 VanDerWaalsContact C-N 3.3Å; S178-Q180 PolarHBondContact O-N 2.94Å
179	V	42.5	Very low	42.8	Very low	83 Å²	83	105 Å²	105	50%	0.503	59%	0.586	S	S	.	*			trans	-88	68.2	-176.4	-169.9	0	0	0	0	110.3	F175	F175-V179 WeakPolarHBondContact O-CG2 3.49Å
180	Q	34	Very low	42.3	Very low	168 Å²	168	110.2 Å²	110.2	79%	0.785	61%	0.606	S	S	*	*	S	Bend	trans	-100.1	-2	163	-116.2	-179.6	-1	0	0	112.8	S178	S178-Q180 VanDerWaalsContact C-N 3.3Å; S178-Q180 PolarHBondContact O-N 2.94Å
181	L	33.9	Very low	41.8	Very low	150 Å²	150	110.1 Å²	110.1	79%	0.785	62%	0.615	S	S	*	*	S	Bend	trans	-137.8	135.7	-178.4	-68.8	160.1	0	0	0	109.5
182	S	29.9	Very low	40.9	Very low	120 Å²	120	117.1 Å²	117.1	84%	0.839	65%	0.646	S	S	*	*			trans	92.4	70.4	172.3	-48	0	0	0	0	116.6
183	S	29.2	Very low	39.5	Very low	123 Å²	123	120.6 Å²	120.6	86%	0.86	66%	0.662	S	S	*	*			trans	-76.4	120.3	155.7	-55.7	0	0	0	0	110.6
184	S	32.3	Very low	38.2	Very low	122 Å²	122	125 Å²	125	85%	0.853	69%	0.689	S	S	*	*			trans	171.2	124.3	138.9	47.1	0	0	0	0	109.6
185	S	34.4	Very low	37.2	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	70%	0.704	S	S	*	*			trans	-168.4	122.4	151	-177.9	0	0	0	0	109.1
186	D	32.9	Very low	36	Very low	160 Å²	160	132.1 Å²	132.1	86%	0.856	73%	0.729	S	S	*	*			trans	-59.1	139.5	172.7	-72.2	-47.8	0	0	0	112.3
187	E	37.4	Very low	34.8	Very low	179 Å²	179	131.2 Å²	131.2	84%	0.836	73%	0.73	S	S	*	*			trans	-124.6	125.6	160.9	-78.1	-92.6	151.7	0	0	107.1
188	S	31.5	Very low	33.9	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	73%	0.734	S	S	*	*			trans	-100.1	125.4	-179.6	176.1	0	0	0	0	109.4	E190	S188-E190 PolarHBondContact O-N 3.23Å
189	D	36.5	Very low	33.5	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	73%	0.733	S	S	*	*			trans	-72.8	107.9	176.4	-70.6	-39.4	0	0	0	111.1
190	E	35	Very low	33	Very low	161 Å²	161	135 Å²	135	75%	0.752	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-98.9	134.7	169.2	-82.7	-72.5	147.7	0	0	110.5	S188	S188-E190 PolarHBondContact O-N 3.23Å
191	P	39.3	Very low	33.1	Very low	115 Å²	115	130.4 Å²	130.4	75%	0.747	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-74.3	139.5	-177.1	28	-32.7	0	0	0	113.6
192	E	36.3	Very low	33.4	Very low	156 Å²	156	126.2 Å²	126.2	73%	0.729	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-68.8	137.5	-171.2	-62.4	-177.5	147.2	0	0	114.3
193	Q	31.3	Very low	33.8	Very low	188 Å²	188	124.9 Å²	124.9	88%	0.879	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-95.7	125.8	174.5	-156.9	167	28.8	0	0	111.1
194	T	28.2	Very low	34.1	Very low	100 Å²	100	123.7 Å²	123.7	61%	0.613	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-80.6	146	-178.3	34.8	0	0	0	0	112.6
195	F	36.1	Very low	34.3	Very low	148 Å²	148	122.3 Å²	122.3	65%	0.649	65%	0.647	S	S	*	*			trans	-136.8	151.7	172.7	62.3	-89.6	0	0	0	111.2	V197	F195-V197 HydrophobicContact CD2-CG2 3.78Å; F195-V197 HydrophobicContact CE2-CG2 3.68Å
196	S	29	Very low	34.2	Very low	91 Å²	91	122.7 Å²	122.7	64%	0.636	64%	0.639	S	S	*	*			trans	-102.8	138.2	178.2	55	0	0	0	0	110.9
197	V	29.4	Very low	34.2	Very low	69 Å²	69	119 Å²	119	42%	0.418	62%	0.622	S	S	.	*			trans	-121.8	119.7	174.6	-177.2	0	0	0	0	107.9	F195 I199	F195-V197 HydrophobicContact CD2-CG2 3.78Å; F195-V197 HydrophobicContact CE2-CG2 3.68Å; V197-I199 HydrophobicContact CG1-CG1 3.93Å
198	Q	28.8	Very low	34	Very low	147 Å²	147	119.3 Å²	119.3	69%	0.687	62%	0.62	S	S	*	*			trans	-94.2	104.7	176.5	-158.4	172.4	13.7	0	0	108.4
199	I	34.6	Very low	34.2	Very low	130 Å²	130	117 Å²	117	67%	0.667	60%	0.604	S	S	*	*			trans	-95.2	110.8	177.7	-56	176.2	0	0	0	107.5	V197	V197-I199 HydrophobicContact CG1-CG1 3.93Å
200	H	32.4	Very low	33.9	Very low	144 Å²	144	114 Å²	114	67%	0.667	59%	0.594	S	S	*	*			trans	-83.6	114.8	169.3	-75.7	-70.2	0	0	0	109.1
201	T	37.7	Very low	34.2	Very low	71 Å²	71	112.6 Å²	112.6	44%	0.436	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-72.7	139.6	172.4	42	0	0	0	0	110.1
202	P	38.5	Very low	33.9	Very low	62 Å²	62	115.7 Å²	115.7	40%	0.403	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-67	132.1	175.3	29.8	-36.4	0	0	0	110.4	T121 L204	T121-P202 HydrophobicContact CG2-CB 4.1Å; T121-P202 WeakPolarHBondContact OG1-CG 3.23Å; P202-L204 PolarHBondContact O-N 2.81Å
203	E	39.1	Very low	33.7	Very low	92 Å²	92	111.2 Å²	111.2	43%	0.43	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-69.4	126.2	174.6	-66	-176.2	169.6	0	0	109.7	Y205 K229	E203-Y205 HydrophobicContact CB-CE1 4.45Å; E203-Y205 HydrophobicContact CB-CE2 4.02Å; E203-Y205 WeakPolarHBondContact O-CD2 3.21Å; E203-Y205 VanDerWaalsContact O-CE2 3.28Å; E203-Y205 WeakPolarHBondContact O-CE2 3.31Å; E203-Y205 PolarHBondContact OE2-OH 2.88Å; E203-K229 IonicContact OE1-NZ 3.31Å; E203-K229 PolarHBondContact OE1-NZ 2.72Å; E203-K229 WeakPolarHBondContact OE2-CE 3.44Å; E203-K229 IonicContact OE2-NZ 2.94Å; E203-K229 PolarHBondContact OE2-NZ 3.13Å
204	L	34.7	Very low	33.7	Very low	98 Å²	98	107.2 Å²	107.2	51%	0.513	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-77.9	131.2	172.2	-75.7	165.5	0	0	0	110.4	P202 L235	P202-L204 PolarHBondContact O-N 2.81Å; L204-L235 HydrophobicContact CB-CD2 3.78Å
205	Y	36.5	Very low	34.1	Very low	93 Å²	93	108.7 Å²	108.7	37%	0.365	59%	0.593	S	S	.	*			trans	-116.4	131.8	175.7	-57.4	-81.2	0	0	0	110.3	E203 P227 K229	E203-Y205 HydrophobicContact CB-CE1 4.45Å; E203-Y205 HydrophobicContact CB-CE2 4.02Å; E203-Y205 WeakPolarHBondContact O-CD2 3.21Å; E203-Y205 VanDerWaalsContact O-CE2 3.28Å; E203-Y205 WeakPolarHBondContact O-CE2 3.31Å; E203-Y205 PolarHBondContact OE2-OH 2.88Å; Y205-P227 HydrophobicContact CD1-CB 4.35Å; Y205-P227 HydrophobicContact CD1-CG 4.28Å; Y205-P227 HydrophobicContact CG-CB 4.36Å; Y205-P227 HydrophobicContact CG-CG 4.27Å; Y205-K229 HydrophobicContact CE1-CG 4.04Å
206	I	33.6	Very low	33.9	Very low	123 Å²	123	107.7 Å²	107.7	63%	0.631	59%	0.594	S	S	*	*			trans	-95.2	114	169.1	-59.5	174.1	0	0	0	107.3	L235	I206-L235 HydrophobicContact CD1-CD1 3.69Å; I206-L235 HydrophobicContact CG1-CD1 4.07Å
207	V	32.5	Very low	34.1	Very low	82 Å²	82	112 Å²	112	50%	0.497	60%	0.604	S	S	.	*			trans	-96.4	112.6	176.1	-179.1	0	0	0	0	108.3	S209	V207-S209 PolarHBondContact O-N 2.88Å
208	K	33.5	Very low	34.2	Very low	186 Å²	186	115.9 Å²	115.9	81%	0.809	62%	0.621	S	S	*	*			trans	-75.1	115.2	173.7	-161.1	174.1	-175.1	178.6	0	108.2	S210	K208-S210 PolarHBondContact O-N 3.39Å
209	S	34.9	Very low	34.2	Very low	54 Å²	54	113.3 Å²	113.3	38%	0.378	62%	0.617	S	S	.	*			trans	-64.1	121.8	172.3	46	0	0	0	0	109.2	V207	V207-S209 PolarHBondContact O-N 2.88Å
210	S	30.5	Very low	34.4	Very low	83 Å²	83	114.2 Å²	114.2	58%	0.58	63%	0.629	S	S	*	*			trans	-57.2	133.2	166.6	175	0	0	0	0	108.6	K208 E212	K208-S210 PolarHBondContact O-N 3.39Å; S210-E212 PolarHBondContact O-N 3.1Å; S210-E212 PolarHBondContact OG-N 3.13Å
211	P	41.7	Very low	34.4	Very low	132 Å²	132	117.2 Å²	117.2	86%	0.857	64%	0.64	S	S	*	*	S	Bend	trans	-69.5	-5.5	178.5	27.2	-32.6	0	0	0	113.8	G213	P211-G213 PolarHBondContact O-N 3.11Å
212	E	32.4	Very low	34.1	Very low	180 Å²	180	117 Å²	117	84%	0.841	65%	0.645	S	S	*	*	S	Bend	trans	-101.2	82.7	179.1	-70.2	173.6	173.7	0	0	110.5	S210	S210-E212 PolarHBondContact O-N 3.1Å; S210-E212 PolarHBondContact OG-N 3.13Å
213	G	31.9	Very low	33.7	Very low	63 Å²	63	119.4 Å²	119.4	65%	0.649	66%	0.662	S	S	*	*	S	Bend	trans	168.6	94	173.9	0	0	0	0	0	111.8	P211 H215	P211-G213 PolarHBondContact O-N 3.11Å; G213-H215 PolarHBondContact O-N 2.9Å
214	S	32.5	Very low	33.3	Very low	103 Å²	103	120.4 Å²	120.4	72%	0.72	68%	0.68	S	S	*	*			trans	-48.1	136.2	179.1	63.3	0	0	0	0	112.4	N216	S214-N216 VanDerWaalsContact C-N 3.29Å; S214-N216 PolarHBondContact O-N 3.33Å
215	H	35.6	Very low	33.2	Very low	132 Å²	132	121.3 Å²	121.3	61%	0.611	69%	0.689	S	S	*	*	S	Bend	trans	-52.6	80.2	174.6	-64	-85.8	0	0	0	113.2	H115 G213	H115-H215 AromaticContact CE1-CE1 3.9Å; H115-H215 AromaticContact NE2-CE1 3.28Å; H115-H215 PolarHBondContact NE2-CE1 2.92Å; H115-H215 VanDerWaalsContact NE2-CE1 3.28Å; H115-H215 AromaticContact NE2-ND1 3.94Å; G213-H215 PolarHBondContact O-N 2.9Å
216	N	31.2	Very low	33	Very low	127 Å²	127	125.3 Å²	125.3	68%	0.679	71%	0.711	S	S	*	*	S	Bend	trans	-142.8	106.5	165.1	-80.1	-41.5	0	0	0	107.9	S214 L218	S214-N216 VanDerWaalsContact C-N 3.29Å; S214-N216 PolarHBondContact O-N 3.33Å; N216-L218 PolarHBondContact O-N 2.81Å
217	H	33.1	Very low	33.1	Very low	181 Å²	181	122.7 Å²	122.7	84%	0.838	70%	0.702	S	S	*	*			trans	30.8	79.8	160.4	-65.2	-78.2	0	0	0	115.1	P219	H217-P219 WeakPolarHBondContact O-CD 3.36Å; H217-P219 VanDerWaalsContact O-N 3.16Å
218	L	31.4	Very low	33.1	Very low	150 Å²	150	127.4 Å²	127.4	79%	0.785	72%	0.716	S	S	*	*			trans	-66.8	107.7	162.5	-94.7	149.9	0	0	0	108.1	N216 T220	N216-L218 PolarHBondContact O-N 2.81Å; L218-T220 PolarHBondContact O-N 2.94Å
219	P	30.6	Very low	33.1	Very low	94 Å²	94	124.6 Å²	124.6	61%	0.61	70%	0.704	S	S	*	*			trans	-65.8	137.8	173.9	29	-32.2	0	0	0	108.4	H217 K221 A222	H217-P219 WeakPolarHBondContact O-CD 3.36Å; H217-P219 VanDerWaalsContact O-N 3.16Å; P219-K221 PolarHBondContact O-N 3.16Å; P219-A222 PolarHBondContact O-N 3.23Å
220	T	37.7	Very low	33.3	Very low	148 Å²	148	130.1 Å²	130.1	91%	0.908	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-3.7	-169.5	-25.5	0	0	0	0	115.2	L218	L218-T220 PolarHBondContact O-N 2.94Å
221	K	32.7	Very low	33.7	Very low	207 Å²	207	132.3 Å²	132.3	90%	0.9	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-7.4	-179.8	-74.5	-172.6	174.8	-178.2	0	115.1	P219	P219-K221 PolarHBondContact O-N 3.16Å
222	A	30.8	Very low	33.9	Very low	66 Å²	66	128.2 Å²	128.2	55%	0.545	70%	0.7	S	S	.	*			trans	-105.7	2.6	-171.3	0	0	0	0	0	116.7	P219 S224	P219-A222 PolarHBondContact O-N 3.23Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 2.71Å; A222-S224 VanDerWaalsContact O-N 3.12Å
223	C	31.2	Very low	34.7	Very low	113 Å²	113	128.2 Å²	128.2	76%	0.764	70%	0.697	S	S	*	*			trans	-86.8	72.5	170.2	-88	0	0	0	0	110.8
224	S	30.4	Very low	35.3	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	70%	0.701	S	S	*	*			trans	-90.4	3.2	168.8	-176.7	0	0	0	0	113	A222 E226	A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 2.71Å; A222-S224 VanDerWaalsContact O-N 3.12Å; S224-E226 PolarHBondContact O-N 2.85Å
225	T	33	Very low	35.7	Very low	116 Å²	116	129 Å²	129	71%	0.712	67%	0.673	S	S	*	*	S	Bend	trans	-81.1	109.7	169.9	34	0	0	0	0	108.9	P227	T225-P227 VanDerWaalsContact O-N 3.14Å
226	E	31.8	Very low	36.4	Very low	177 Å²	177	129.2 Å²	129.2	83%	0.827	67%	0.67	S	S	*	*			trans	-42.4	121.2	166.2	-72	-175.2	154.5	0	0	108.8	S224 K228	S224-E226 PolarHBondContact O-N 2.85Å; E226-K228 PolarHBondContact O-N 3.39Å
227	P	35.2	Very low	37.2	Very low	68 Å²	68	128.6 Å²	128.6	44%	0.442	66%	0.663	S	S	.	*			trans	-61.3	114.2	-178.4	22.5	-30.7	0	0	0	108.2	Y205 T225 K229	Y205-P227 HydrophobicContact CD1-CB 4.35Å; Y205-P227 HydrophobicContact CD1-CG 4.28Å; Y205-P227 HydrophobicContact CG-CB 4.36Å; Y205-P227 HydrophobicContact CG-CG 4.27Å; T225-P227 VanDerWaalsContact O-N 3.14Å; P227-K229 PolarHBondContact O-N 3.23Å
228	K	33	Very low	37.7	Very low	182 Å²	182	123.3 Å²	123.3	79%	0.791	64%	0.643	S	S	*	*			trans	-53.7	115.5	175	-82.8	-177.6	176.8	176.9	0	108.2	E226 F230	E226-K228 PolarHBondContact O-N 3.39Å; K228-F230 VanDerWaalsContact C-N 3.35Å; K228-F230 PolarHBondContact O-N 3.33Å
229	K	34.1	Very low	38.2	Very low	126 Å²	126	118.3 Å²	118.3	55%	0.548	62%	0.617	S	S	.	*			trans	-57.7	93.9	175.2	-91.6	-173.5	171.1	-168.7	0	109.5	E203 Y205 P227 I231	E203-K229 IonicContact OE1-NZ 3.31Å; E203-K229 PolarHBondContact OE1-NZ 2.72Å; E203-K229 WeakPolarHBondContact OE2-CE 3.44Å; E203-K229 IonicContact OE2-NZ 2.94Å; E203-K229 PolarHBondContact OE2-NZ 3.13Å; Y205-K229 HydrophobicContact CE1-CG 4.04Å; P227-K229 PolarHBondContact O-N 3.23Å; K229-I231 HydrophobicContact CB-CG1 4.44Å; K229-I231 PolarHBondContact O-N 3.17Å; K229-I231 VanDerWaalsContact O-N 3.16Å
230	F	37.7	Very low	39.1	Very low	171 Å²	171	120.1 Å²	120.1	75%	0.75	62%	0.615	S	S	*	*			trans	-78.8	94.8	162.2	-103	-87.3	0	0	0	107.7	K228 S232	K228-F230 VanDerWaalsContact C-N 3.35Å; K228-F230 PolarHBondContact O-N 3.33Å; F230-S232 PolarHBondContact O-N 3.06Å
231	I	40	Very low	39.6	Very low	129 Å²	129	120.6 Å²	120.6	66%	0.662	61%	0.605	S	S	*	*			trans	-73.9	80.6	171.4	-52.7	172.5	0	0	0	106.6	K229	K229-I231 HydrophobicContact CB-CG1 4.44Å; K229-I231 PolarHBondContact O-N 3.17Å; K229-I231 VanDerWaalsContact O-N 3.16Å
232	S	44.7	Very low	39.9	Very low	46 Å²	46	117 Å²	117	32%	0.322	59%	0.586	S	S	.	*			trans	-68	134.3	162.9	86.7	0	0	0	0	107.2	F230 Q234 L235 Y236	F230-S232 PolarHBondContact O-N 3.06Å; S232-Q234 PolarHBondContact O-N 3.04Å; S232-L235 PolarHBondContact O-N 3.22Å; S232-L235 WeakPolarHBondContact OG-CB 3.49Å; S232-L235 PolarHBondContact OG-N 3.14Å; S232-Y236 PolarHBondContact O-N 2.85Å
233	K	50	Low	40.1	Very low	180 Å²	180	117.2 Å²	117.2	78%	0.783	58%	0.583	S	S	*	*	H	α-helix	trans	-52.6	-37.7	177.6	-90.7	-177.8	175.4	177.4	0	111.2	Y236 E237	K233-Y236 PolarHBondContact O-N 2.74Å; K233-E237 WeakPolarHBondContact O-CG 3.24Å; K233-E237 PolarHBondContact O-N 2.91Å
234	Q	45.1	Very low	40.4	Very low	154 Å²	154	119 Å²	119	72%	0.72	58%	0.578	S	S	*	*	H	α-helix	trans	-63.8	-44.6	175.6	-78.1	176.9	-16.7	0	0	112.8	S232 Y236 E237 V238	S232-Q234 PolarHBondContact O-N 3.04Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 3.17Å; Q234-E237 PolarHBondContact O-N 3.35Å; Q234-V238 WeakPolarHBondContact O-CG2 3.4Å; Q234-V238 PolarHBondContact O-N 3.16Å
235	L	41.3	Very low	40.6	Very low	28 Å²	28	123 Å²	123	15%	0.147	58%	0.581	C	S	.	*	H	α-helix	trans	-64.9	-37.3	175.5	-99.8	151.5	0	0	0	112	L204 I206 S232 N239	L204-L235 HydrophobicContact CB-CD2 3.78Å; I206-L235 HydrophobicContact CD1-CD1 3.69Å; I206-L235 HydrophobicContact CG1-CD1 4.07Å; S232-L235 PolarHBondContact O-N 3.22Å; S232-L235 WeakPolarHBondContact OG-CB 3.49Å; S232-L235 PolarHBondContact OG-N 3.14Å; L235-N239 VanDerWaalsContact O-CB 3.3Å; L235-N239 WeakPolarHBondContact O-CB 3.47Å; L235-N239 VanDerWaalsContact O-CG 3.25Å; L235-N239 PolarHBondContact O-N 3.4Å; L235-N239 PolarHBondContact O-ND2 3.37Å
236	Y	50.2	Low	40.4	Very low	137 Å²	137	125.1 Å²	125.1	54%	0.537	58%	0.577	S	S	.	*	H	α-helix	trans	-65.8	-40	173.6	-175.6	-102.1	0	0	0	111.5	S232 K233 Q234 N239 K240	S232-Y236 PolarHBondContact O-N 2.85Å; K233-Y236 PolarHBondContact O-N 2.74Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 3.17Å; Y236-N239 PolarHBondContact O-N 2.84Å; Y236-K240 HydrophobicContact CE1-CD 3.88Å; Y236-K240 WeakPolarHBondContact O-CB 3.32Å; Y236-K240 PolarHBondContact O-N 3.44Å
237	E	47	Very low	40.2	Very low	114 Å²	114	121.8 Å²	121.8	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-67.2	-39.7	175.7	-79.2	-174.4	-174.3	0	0	112.9	K233 Q234 K240 K241	K233-E237 WeakPolarHBondContact O-CG 3.24Å; K233-E237 PolarHBondContact O-N 2.91Å; Q234-E237 PolarHBondContact O-N 3.35Å; E237-K240 PolarHBondContact O-N 3.46Å; E237-K241 WeakPolarHBondContact O-CB 3.32Å; E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.5Å
238	V	43.6	Very low	40.1	Very low	70 Å²	70	120.7 Å²	120.7	42%	0.424	56%	0.562	S	S	.	*	H	α-helix	trans	-64.3	-52.1	171.9	175.4	0	0	0	0	109	Q234 K240 K241 W242	Q234-V238 WeakPolarHBondContact O-CG2 3.4Å; Q234-V238 PolarHBondContact O-N 3.16Å; V238-K240 VanDerWaalsContact C-N 3.26Å; V238-K240 PolarHBondContact O-N 2.98Å; V238-K241 PolarHBondContact O-N 3.26Å; V238-W242 VanDerWaalsContact O-CB 3.31Å; V238-W242 WeakPolarHBondContact O-CB 3.41Å; V238-W242 PolarHBondContact O-N 2.93Å
239	N	41.9	Very low	40	Very low	44 Å²	44	116.1 Å²	116.1	24%	0.235	55%	0.546	C	S	.	.	H	α-helix	trans	-60.6	-35.7	178.7	-70.9	-23.1	0	0	0	112.7	L235 Y236 S243	L235-N239 VanDerWaalsContact O-CB 3.3Å; L235-N239 WeakPolarHBondContact O-CB 3.47Å; L235-N239 VanDerWaalsContact O-CG 3.25Å; L235-N239 PolarHBondContact O-N 3.4Å; L235-N239 PolarHBondContact O-ND2 3.37Å; Y236-N239 PolarHBondContact O-N 2.84Å; N239-S243 VanDerWaalsContact O-CB 3.28Å; N239-S243 WeakPolarHBondContact O-CB 3.38Å; N239-S243 PolarHBondContact O-N 2.97Å; N239-S243 PolarHBondContact O-OG 3.2Å
240	K	49.7	Very low	39.9	Very low	132 Å²	132	117.9 Å²	117.9	57%	0.574	56%	0.561	S	S	*	*	H	α-helix	trans	-75.3	-40.9	178.3	-173.7	179.2	178.1	-174.3	0	113.3	Y236 E237 V238 W242 S243	Y236-K240 HydrophobicContact CE1-CD 3.88Å; Y236-K240 WeakPolarHBondContact O-CB 3.32Å; Y236-K240 PolarHBondContact O-N 3.44Å; E237-K240 PolarHBondContact O-N 3.46Å; V238-K240 VanDerWaalsContact C-N 3.26Å; V238-K240 PolarHBondContact O-N 2.98Å; K240-W242 PolarHBondContact O-N 3.48Å; K240-S243 PolarHBondContact O-OG 2.91Å; K240-S243 VanDerWaalsContact O-OG 3.04Å
241	K	47.4	Very low	39.9	Very low	158 Å²	158	117.7 Å²	117.7	69%	0.687	57%	0.567	S	S	*	*	H	α-helix	trans	-62.4	-29.9	173.4	-89.3	-176.6	173.9	177.5	0	111	E237 V238	E237-K241 WeakPolarHBondContact O-CB 3.32Å; E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.5Å; V238-K241 PolarHBondContact O-N 3.26Å
242	W	40.3	Very low	39.5	Very low	133 Å²	133	118.5 Å²	118.5	50%	0.504	57%	0.573	S	S	.	*	H	α-helix	trans	-101.6	-8.8	-174.1	-63.9	68.1	0	0	0	113.5	V238 K240 F244	V238-W242 VanDerWaalsContact O-CB 3.31Å; V238-W242 WeakPolarHBondContact O-CB 3.41Å; V238-W242 PolarHBondContact O-N 2.93Å; K240-W242 PolarHBondContact O-N 3.48Å; W242-F244 WeakPolarHBondContact O-CD2 3.19Å; W242-F244 PolarHBondContact O-N 3.42Å
243	S	34.5	Very low	38.8	Very low	70 Å²	70	124.5 Å²	124.5	49%	0.49	60%	0.596	S	S	.	*			trans	-76.4	87.2	169	65.2	0	0	0	0	110.3	N239 K240	N239-S243 VanDerWaalsContact O-CB 3.28Å; N239-S243 WeakPolarHBondContact O-CB 3.38Å; N239-S243 PolarHBondContact O-N 2.97Å; N239-S243 PolarHBondContact O-OG 3.2Å; K240-S243 PolarHBondContact O-OG 2.91Å; K240-S243 VanDerWaalsContact O-OG 3.04Å
244	F	37.3	Very low	37.8	Very low	150 Å²	150	124 Å²	124	66%	0.658	59%	0.594	S	S	*	*			trans	-85.6	113	173.9	-68.8	-83.6	0	0	0	110.3	W242	W242-F244 WeakPolarHBondContact O-CD2 3.19Å; W242-F244 PolarHBondContact O-N 3.42Å
245	K	34.1	Very low	37	Very low	197 Å²	197	125.7 Å²	125.7	86%	0.857	60%	0.601	S	S	*	*			trans	-83.9	106.7	161.9	-84.2	-174.8	177.8	180	0	108.2
246	Y	29.8	Very low	36.3	Very low	161 Å²	161	131.8 Å²	131.8	63%	0.631	63%	0.633	S	S	*	*			trans	-89.3	115.2	177.3	-161.5	-98.7	0	0	0	109.8	A248	Y246-A248 HydrophobicContact CD1-CB 4.48Å; Y246-A248 HydrophobicContact CE1-CB 3.91Å
247	N	27.5	Very low	35.1	Very low	108 Å²	108	135.7 Å²	135.7	58%	0.578	65%	0.648	S	S	*	*			trans	-125.4	104.7	170.7	-157.6	6.9	0	0	0	107.8	N249	N247-N249 PolarHBondContact O-N 3.49Å
248	A	34	Very low	34	Very low	45 Å²	45	137.4 Å²	137.4	37%	0.372	66%	0.661	S	S	.	*			trans	-78	30.9	-179.4	0	0	0	0	0	112.8	Y246	Y246-A248 HydrophobicContact CD1-CB 4.48Å; Y246-A248 HydrophobicContact CE1-CB 3.91Å
249	N	30.9	Very low	33	Very low	85 Å²	85	142.3 Å²	142.3	46%	0.455	68%	0.679	S	S	.	*			trans	-113	23	-171.4	-77.3	-2	0	0	0	114	N247 L251	N247-N249 PolarHBondContact O-N 3.49Å; N249-L251 PolarHBondContact O-N 2.81Å
250	D	31	Very low	32.2	Very low	163 Å²	163	147.2 Å²	147.2	87%	0.872	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	43.8	174.4	-87.9	-4	0	0	0	113.2
251	L	38.5	Very low	31.2	Very low	168 Å²	168	149.1 Å²	149.1	88%	0.88	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	1.4	158.7	-88.8	157	0	0	0	112.2	N249 H253	N249-L251 PolarHBondContact O-N 2.81Å; L251-H253 VanDerWaalsContact C-N 3.26Å; L251-H253 PolarHBondContact O-N 3.24Å
252	N	31.2	Very low	30.1	Very low	146 Å²	146	145.4 Å²	145.4	78%	0.781	72%	0.721	S	S	*	*			trans	-79.7	65.6	175.3	-79	-26.8	0	0	0	112.7
253	H	29.4	Very low	29.4	Very low	172 Å²	172	149.9 Å²	149.9	80%	0.796	74%	0.738	S	S	*	*			trans	-106.8	89.3	154.6	-109.8	-58	0	0	0	109.9	L251	L251-H253 VanDerWaalsContact C-N 3.26Å; L251-H253 PolarHBondContact O-N 3.24Å
254	K	29.6	Very low	29.1	Very low	170 Å²	170	155.7 Å²	155.7	74%	0.739	76%	0.757	S	S	*	*			trans	39.5	100.4	149.5	-69.7	179.9	173.7	-179.4	0	117.3
255	H	27.8	Very low	28.6	Very low	189 Å²	189	153.2 Å²	153.2	88%	0.875	76%	0.764	S	S	*	*			trans	-137	78.8	139.3	-91.9	-79.4	0	0	0	109.3
256	L	26	Very low	28.4	Very low	156 Å²	156	150 Å²	150	82%	0.817	76%	0.764	S	S	*	*			trans	-66.5	117.3	149.1	-85.8	149.9	0	0	0	106.1
257	Y	25.4	Very low	28.3	Very low	218 Å²	218	149.9 Å²	149.9	86%	0.855	78%	0.775	S	S	*	*			trans	-159.8	112.2	147.4	-103.6	-72.2	0	0	0	111.2
258	N	23.6	Very low	28.7	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	78%	0.78	S	S	*	*			trans	22.3	116.6	153	-93.2	4	0	0	0	121.3
259	E	23.5	Very low	28.3	Very low	174 Å²	174	156.1 Å²	156.1	81%	0.813	80%	0.802	S	S	*	*			trans	-44.7	145.1	136	-99.8	170.3	150.4	0	0	112.3
260	N	24.4	Very low	28.2	Very low	146 Å²	146	157.7 Å²	157.7	78%	0.781	82%	0.818	S	S	*	*			trans	108.9	79.8	172.5	-57.1	-21.9	0	0	0	113.2
261	D	28.1	Very low	28	Very low	173 Å²	173	156.8 Å²	156.8	93%	0.925	81%	0.813	S	S	*	*				-150.8	110.6	126.4	-97.8	-29.4	0	0	0	109.6
262	A	25.7	Very low	27.5	Very low	80 Å²	80	158.4 Å²	158.4	66%	0.661	82%	0.816	S	S	*	*			trans	-83.5	153.9	179.4	0	0	0	0	0	110.2
263	R	24.4	Very low	27.4	Very low	226 Å²	226	160.5 Å²	160.5	85%	0.853	82%	0.819	S	S	*	*			trans	71.5	101.2	154.3	-56.6	167.2	-172.9	-170.8	1.5	116.1
264	H	29.8	Very low	27.4	Very low	193 Å²	193	161.9 Å²	161.9	89%	0.894	82%	0.822	S	S	*	*				-151	102.5	124.2	-89.4	-55.8	0	0	0	109.4
265	A	26.5	Very low	27.8	Very low	97 Å²	97	161.6 Å²	161.6	80%	0.802	83%	0.828	S	S	*	*			trans	-68.7	131.3	160	0	0	0	0	0	108.5
266	C	29.5	Very low	28.1	Very low	129 Å²	129	160 Å²	160	87%	0.872	83%	0.826	S	S	*	*			trans	-142.8	129.5	157.9	-86.1	0	0	0	0	108.4
267	D	27.2	Very low	28.5	Very low	159 Å²	159	155.6 Å²	155.6	85%	0.85	82%	0.818	S	S	*	*			trans	-56.9	149.4	-166.7	-104.6	-46.1	0	0	0	116.4
268	P	36.7	Very low	28.9	Very low	107 Å²	107	155.5 Å²	155.5	70%	0.695	82%	0.816	S	S	*	*			trans	-98	104.5	174.4	35	-23.8	0	0	0	111.4
269	H	25.1	Very low	29.3	Very low	178 Å²	178	157.9 Å²	157.9	82%	0.824	82%	0.82	S	S	*	*			trans	-155.1	106.5	158.2	-96.4	-55.7	0	0	0	110.7
270	C	28.5	Very low	30.2	Very low	118 Å²	118	156.9 Å²	156.9	80%	0.797	82%	0.815	S	S	*	*			trans	-177.9	99.5	135.7	-96.6	0	0	0	0	112.2
271	N	26.9	Very low	30.7	Very low	144 Å²	144	155.2 Å²	155.2	77%	0.77	81%	0.809	S	S	*	*			trans	57.3	101.5	132.9	-59.9	-19.7	0	0	0	120.2	K273	N271-K273 PolarHBondContact O-N 3.33Å
272	E	27.6	Very low	31.2	Very low	201 Å²	201	155 Å²	155	94%	0.939	80%	0.802	S	S	*	*			trans	-36.6	111	152.5	-61.7	174.1	156.6	0	0	113.2
273	K	30.2	Very low	31.8	Very low	191 Å²	191	156.8 Å²	156.8	83%	0.83	80%	0.795	S	S	*	*			trans	-114.3	118.3	154.6	-80.2	-174.8	177.8	178.7	0	108.6	N271 L275	N271-K273 PolarHBondContact O-N 3.33Å; K273-L275 PolarHBondContact O-N 2.95Å
274	K	29.3	Very low	32.6	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	78%	0.784	S	S	*	*			trans	-44.5	112.9	173.8	-67.8	173	175.6	177.8	0	110.8	D276	K274-D276 PolarHBondContact O-N 2.89Å
275	L	37.8	Very low	33.4	Very low	164 Å²	164	150.7 Å²	150.7	86%	0.859	78%	0.777	S	S	*	*			trans	-84.5	85.3	168.6	-85	157.2	0	0	0	108.2	K273 G277	K273-L275 PolarHBondContact O-N 2.95Å; L275-G277 PolarHBondContact O-N 3.4Å
276	D	34.1	Very low	34.4	Very low	155 Å²	155	152.9 Å²	152.9	83%	0.829	77%	0.77	S	S	*	*			trans	-61.5	126.9	168.1	-92.7	-35.8	0	0	0	110.4	K274	K274-D276 PolarHBondContact O-N 2.89Å
277	G	33.7	Very low	34.8	Very low	64 Å²	64	149 Å²	149	66%	0.66	74%	0.741	S	S	*	*			trans	55.3	80.8	158.4	0	0	0	0	0	116.4	L275 K279	L275-G277 PolarHBondContact O-N 3.4Å; G277-K279 VanDerWaalsContact C-N 3.32Å; G277-K279 PolarHBondContact O-N 3.37Å
278	R	34.9	Very low	35.7	Very low	216 Å²	216	146.1 Å²	146.1	82%	0.815	73%	0.731	S	S	*	*			trans	-57.9	101.1	158.2	-82.9	-173.4	-179.6	-169	1	108	H280	R278-H280 PolarHBondContact O-CE1 3.46Å; R278-H280 PolarHBondContact O-N 2.82Å; R278-H280 PolarHBondContact O-ND1 2.96Å
279	K	31.7	Very low	35.7	Very low	200 Å²	200	145.4 Å²	145.4	87%	0.87	72%	0.72	S	S	*	*			trans	-56.5	108.2	169.2	-70.8	177.1	177.1	179.1	0	107.6	G277	G277-K279 VanDerWaalsContact C-N 3.32Å; G277-K279 PolarHBondContact O-N 3.37Å
280	H	42	Very low	36.4	Very low	153 Å²	153	138.7 Å²	138.7	71%	0.708	69%	0.693	S	S	*	*			trans	-77.3	123.2	172.1	-67.9	74.9	0	0	0	107.4	R278 H282	R278-H280 PolarHBondContact O-CE1 3.46Å; R278-H280 PolarHBondContact O-N 2.82Å; R278-H280 PolarHBondContact O-ND1 2.96Å; H280-H282 PolarHBondContact O-N 2.77Å
281	V	35.2	Very low	37	Very low	111 Å²	111	135.7 Å²	135.7	67%	0.673	68%	0.677	S	S	*	*			trans	-82	105	176.1	178.7	0	0	0	0	107	F283	V281-F283 HydrophobicContact CG1-CE1 4.35Å; V281-F283 HydrophobicContact CG1-CZ 4.39Å
282	H	39.4	Very low	37.8	Very low	168 Å²	168	133.3 Å²	133.3	78%	0.778	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-78.4	126.2	168.1	-72.3	-55.3	0	0	0	109.1	H280	H280-H282 PolarHBondContact O-N 2.77Å
283	F	37.3	Very low	38.6	Very low	117 Å²	117	131.2 Å²	131.2	51%	0.513	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-80.4	134.8	171.9	-65.1	-76.2	0	0	0	109.3	V281 N287 I289	V281-F283 HydrophobicContact CG1-CE1 4.35Å; V281-F283 HydrophobicContact CG1-CZ 4.39Å; F283-N287 HydrophobicContact CB-CB 4.49Å; F283-I289 HydrophobicContact CD1-CD1 4.42Å; F283-I289 HydrophobicContact CE1-CD1 4.21Å; F283-I289 HydrophobicContact CZ-CD1 4.49Å
284	P	42.3	Very low	39.3	Very low	93 Å²	93	127.5 Å²	127.5	60%	0.604	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-55.9	142.1	174.8	-22.9	31.9	0	0	0	111.1	N287	P284-N287 VanDerWaalsContact O-CB 3.24Å; P284-N287 WeakPolarHBondContact O-CB 3.49Å; P284-N287 PolarHBondContact O-N 2.8Å
285	R	46	Very low	40.1	Very low	199 Å²	199	123.6 Å²	123.6	75%	0.751	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	142.4	172.5	-70.4	179.8	175	177.9	-2.4	108.7
286	E	46.6	Very low	40.4	Very low	143 Å²	143	123.6 Å²	123.6	67%	0.668	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.8	2	-171.3	-51.2	176.1	178.4	0	0	116.5
287	N	38.7	Very low	41.3	Very low	47 Å²	47	119.8 Å²	119.8	25%	0.251	60%	0.601	S	S	.	*			trans	-66.9	133.7	169.8	-165.4	-36.3	0	0	0	110	F283 P284 I289 S290	F283-N287 HydrophobicContact CB-CB 4.49Å; P284-N287 VanDerWaalsContact O-CB 3.24Å; P284-N287 WeakPolarHBondContact O-CB 3.49Å; P284-N287 PolarHBondContact O-N 2.8Å; N287-I289 PolarHBondContact O-N 3.31Å; N287-I289 PolarHBondContact OD1-N 3.46Å; N287-S290 WeakPolarHBondContact O-CA 3.29Å; N287-S290 VanDerWaalsContact O-CB 3.24Å; N287-S290 WeakPolarHBondContact O-CB 3.3Å; N287-S290 PolarHBondContact O-N 3.35Å; N287-S290 PolarHBondContact O-OG 3.43Å
288	P	44.9	Very low	41.9	Very low	98 Å²	98	124.9 Å²	124.9	64%	0.636	60%	0.602	S	S	*	*	H	α-helix	trans	-51.5	-25.4	179.3	16.5	-33.1	0	0	0	114.4	S290 A291 V292	P288-S290 VanDerWaalsContact C-N 3.3Å; P288-S290 PolarHBondContact O-N 3.26Å; P288-A291 WeakPolarHBondContact O-CB 3.44Å; P288-A291 PolarHBondContact O-N 2.97Å; P288-V292 WeakPolarHBondContact O-CG2 3.38Å; P288-V292 PolarHBondContact O-N 3.43Å
289	I	38.1	Very low	42.6	Very low	93 Å²	93	116.8 Å²	116.8	48%	0.477	58%	0.581	S	S	.	*	H	α-helix	trans	-64.4	-35	174.4	-56.6	175.6	0	0	0	111.5	F283 N287 A291 V292 Y293	F283-I289 HydrophobicContact CD1-CD1 4.42Å; F283-I289 HydrophobicContact CE1-CD1 4.21Å; F283-I289 HydrophobicContact CZ-CD1 4.49Å; N287-I289 PolarHBondContact O-N 3.31Å; N287-I289 PolarHBondContact OD1-N 3.46Å; I289-A291 VanDerWaalsContact C-N 3.33Å; I289-V292 WeakPolarHBondContact O-CB 3.19Å; I289-V292 PolarHBondContact O-N 2.74Å; I289-Y293 PolarHBondContact O-N 2.91Å
290	S	40.3	Very low	43.7	Very low	37 Å²	37	109.8 Å²	109.8	26%	0.259	56%	0.555	S	S	.	*	H	α-helix	trans	-65.9	-37.2	173.7	-27.7	0	0	0	0	111.4	N287 P288 V292 Y293 N294	N287-S290 WeakPolarHBondContact O-CA 3.29Å; N287-S290 VanDerWaalsContact O-CB 3.24Å; N287-S290 WeakPolarHBondContact O-CB 3.3Å; N287-S290 PolarHBondContact O-N 3.35Å; N287-S290 PolarHBondContact O-OG 3.43Å; P288-S290 VanDerWaalsContact C-N 3.3Å; P288-S290 PolarHBondContact O-N 3.26Å; S290-V292 VanDerWaalsContact C-N 3.32Å; S290-V292 PolarHBondContact O-N 3.42Å; S290-Y293 WeakPolarHBondContact O-CB 3.21Å; S290-Y293 PolarHBondContact O-N 3.2Å; S290-N294 PolarHBondContact O-N 3.45Å
291	A	40.7	Very low	44.1	Very low	54 Å²	54	105.1 Å²	105.1	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-37	173.5	0	0	0	0	0	111.5	P288 I289 Y293 N294 L295	P288-A291 WeakPolarHBondContact O-CB 3.44Å; P288-A291 PolarHBondContact O-N 2.97Å; I289-A291 VanDerWaalsContact C-N 3.33Å; A291-Y293 VanDerWaalsContact C-N 3.34Å; A291-N294 PolarHBondContact O-N 2.96Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CG 3.23Å; A291-L295 PolarHBondContact O-N 3.39Å
292	V	42.4	Very low	44.7	Very low	94 Å²	94	100.5 Å²	100.5	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-64.2	-38.2	172.1	177.9	0	0	0	0	111.5	P288 I289 S290 L295 Y296	P288-V292 WeakPolarHBondContact O-CG2 3.38Å; P288-V292 PolarHBondContact O-N 3.43Å; I289-V292 WeakPolarHBondContact O-CB 3.19Å; I289-V292 PolarHBondContact O-N 2.74Å; S290-V292 VanDerWaalsContact C-N 3.32Å; S290-V292 PolarHBondContact O-N 3.42Å; V292-L295 PolarHBondContact O-N 3.28Å; V292-Y296 PolarHBondContact O-N 3Å
293	Y	44.9	Very low	45.4	Very low	157 Å²	157	101.3 Å²	101.3	62%	0.616	51%	0.512	S	S	*	.	H	α-helix	trans	-66.3	-41.9	176.7	-153.2	-88.4	0	0	0	112.2	I289 S290 A291 L295 Y296 T297	I289-Y293 PolarHBondContact O-N 2.91Å; S290-Y293 WeakPolarHBondContact O-CB 3.21Å; S290-Y293 PolarHBondContact O-N 3.2Å; A291-Y293 VanDerWaalsContact C-N 3.34Å; Y293-L295 VanDerWaalsContact C-N 3.35Å; Y293-L295 PolarHBondContact O-N 3.27Å; Y293-Y296 PolarHBondContact O-N 3Å; Y293-T297 PolarHBondContact O-N 3.44Å; Y293-T297 PolarHBondContact O-OG1 2.91Å
294	N	45.8	Very low	46.3	Very low	114 Å²	114	99.7 Å²	99.7	61%	0.61	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-39.1	174	-73.2	-11.9	0	0	0	111.8	S290 A291 T297 Y298	S290-N294 PolarHBondContact O-N 3.45Å; A291-N294 PolarHBondContact O-N 2.96Å; N294-T297 PolarHBondContact O-N 3.43Å; N294-Y298 WeakPolarHBondContact O-CB 3.21Å; N294-Y298 PolarHBondContact O-N 2.94Å
295	L	45.1	Very low	46.7	Very low	118 Å²	118	101.8 Å²	101.8	62%	0.618	51%	0.51	S	S	*	.	H	α-helix	trans	-63.2	-40	173	-81.6	162.6	0	0	0	112.2	A291 V292 Y293 Y298 A299	A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CG 3.23Å; A291-L295 PolarHBondContact O-N 3.39Å; V292-L295 PolarHBondContact O-N 3.28Å; Y293-L295 VanDerWaalsContact C-N 3.35Å; Y293-L295 PolarHBondContact O-N 3.27Å; L295-Y298 PolarHBondContact O-N 3.48Å; L295-A299 WeakPolarHBondContact O-CB 3.41Å; L295-A299 PolarHBondContact O-N 3.5Å
296	Y	44.8	Very low	47	Very low	165 Å²	165	100.3 Å²	100.3	65%	0.647	50%	0.504	S	S	*	.	H	α-helix	trans	-65.3	-44.2	175.8	-163.3	-90.8	0	0	0	110.8	V292 Y293 Y298 A299 T300	V292-Y296 PolarHBondContact O-N 3Å; Y293-Y296 PolarHBondContact O-N 3Å; Y296-Y298 PolarHBondContact O-N 2.84Å; Y296-A299 PolarHBondContact O-N 3Å; Y296-T300 WeakPolarHBondContact CD1-OG1 3.48Å; Y296-T300 WeakPolarHBondContact O-CB 3.36Å; Y296-T300 PolarHBondContact O-N 3.34Å; Y296-T300 PolarHBondContact O-OG1 2.99Å
297	T	53.2	Low	47.3	Very low	75 Å²	75	97.2 Å²	97.2	46%	0.46	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-45.9	177.5	-48.1	0	0	0	0	111	Y293 N294 T300 A301	Y293-T297 PolarHBondContact O-N 3.44Å; Y293-T297 PolarHBondContact O-OG1 2.91Å; N294-T297 PolarHBondContact O-N 3.43Å; T297-T300 PolarHBondContact O-N 3.03Å; T297-A301 WeakPolarHBondContact O-CB 3.42Å; T297-A301 PolarHBondContact O-N 3.31Å
298	Y	46	Very low	47.9	Very low	170 Å²	170	99.3 Å²	99.3	67%	0.667	51%	0.51	S	S	*	.	H	α-helix	trans	-64.3	-43.6	174.8	-175.6	-93.9	0	0	0	112.4	N294 L295 Y296 T300 A301 S302	N294-Y298 WeakPolarHBondContact O-CB 3.21Å; N294-Y298 PolarHBondContact O-N 2.94Å; L295-Y298 PolarHBondContact O-N 3.48Å; Y296-Y298 PolarHBondContact O-N 2.84Å; Y298-T300 VanDerWaalsContact C-N 3.27Å; Y298-T300 PolarHBondContact O-N 3.41Å; Y298-A301 PolarHBondContact O-N 2.87Å; Y298-S302 WeakPolarHBondContact O-CB 3.14Å; Y298-S302 PolarHBondContact O-N 2.94Å
299	A	49.3	Very low	48.6	Very low	47 Å²	47	101.3 Å²	101.3	39%	0.388	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-35.9	176.9	0	0	0	0	0	111.7	L295 Y296 R303	L295-A299 WeakPolarHBondContact O-CB 3.41Å; L295-A299 PolarHBondContact O-N 3.5Å; Y296-A299 PolarHBondContact O-N 3Å; A299-R303 VanDerWaalsContact O-CB 3.24Å; A299-R303 WeakPolarHBondContact O-CB 3.27Å; A299-R303 VanDerWaalsContact O-CG 3.26Å; A299-R303 WeakPolarHBondContact O-CG 3.32Å; A299-R303 PolarHBondContact O-N 2.9Å
300	T	54.3	Low	49.7	Very low	52 Å²	52	101.7 Å²	101.7	32%	0.319	51%	0.507	S	S	.	.	H	α-helix	trans	-71.5	-46.2	176.8	-44.5	0	0	0	0	110.5	Y296 T297 Y298 S302 R303 L304	Y296-T300 WeakPolarHBondContact CD1-OG1 3.48Å; Y296-T300 WeakPolarHBondContact O-CB 3.36Å; Y296-T300 PolarHBondContact O-N 3.34Å; Y296-T300 PolarHBondContact O-OG1 2.99Å; T297-T300 PolarHBondContact O-N 3.03Å; Y298-T300 VanDerWaalsContact C-N 3.27Å; Y298-T300 PolarHBondContact O-N 3.41Å; T300-S302 PolarHBondContact O-N 3.42Å; T300-R303 WeakPolarHBondContact O-CB 3.33Å; T300-R303 PolarHBondContact O-N 3.48Å; T300-L304 HydrophobicContact CG2-CD1 4.42Å; T300-L304 WeakPolarHBondContact O-CB 3.14Å; T300-L304 VanDerWaalsContact O-CG 3.3Å; T300-L304 WeakPolarHBondContact O-CG 3.28Å; T300-L304 PolarHBondContact O-N 2.9Å
301	A	50.4	Low	50.4	Low	55 Å²	55	106.6 Å²	106.6	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-59	-45.8	173.6	0	0	0	0	0	111.7	T297 Y298 R303 L304 E305	T297-A301 WeakPolarHBondContact O-CB 3.42Å; T297-A301 PolarHBondContact O-N 3.31Å; Y298-A301 PolarHBondContact O-N 2.87Å; A301-R303 PolarHBondContact O-N 3.38Å; A301-L304 CarbonylContact O-C 3.55Å; A301-L304 PolarHBondContact O-N 3.24Å; A301-E305 WeakPolarHBondContact O-CB 3.49Å; A301-E305 PolarHBondContact O-N 2.77Å
302	S	49.4	Very low	51.4	Low	14 Å²	14	105.5 Å²	105.5	10%	0.098	51%	0.505	C	S	.	.	H	α-helix	trans	-66.5	-34.8	176.5	-172	0	0	0	0	112.2	Y298 T300 R306	Y298-S302 WeakPolarHBondContact O-CB 3.14Å; Y298-S302 PolarHBondContact O-N 2.94Å; T300-S302 PolarHBondContact O-N 3.42Å; S302-R306 WeakPolarHBondContact O-CB 3.43Å; S302-R306 VanDerWaalsContact O-CG 3.26Å; S302-R306 WeakPolarHBondContact O-CG 3.47Å; S302-R306 PolarHBondContact O-N 3.47Å; S302-R306 PolarHBondContact OG-NH1 3.18Å
303	R	53.3	Low	52.2	Low	186 Å²	186	106.2 Å²	106.2	70%	0.702	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-40.6	170.6	-85.2	176.5	129.7	-174.4	-3.5	111.8	A299 T300 A301 R306 S307	A299-R303 VanDerWaalsContact O-CB 3.24Å; A299-R303 WeakPolarHBondContact O-CB 3.27Å; A299-R303 VanDerWaalsContact O-CG 3.26Å; A299-R303 WeakPolarHBondContact O-CG 3.32Å; A299-R303 PolarHBondContact O-N 2.9Å; T300-R303 WeakPolarHBondContact O-CB 3.33Å; T300-R303 PolarHBondContact O-N 3.48Å; A301-R303 PolarHBondContact O-N 3.38Å; R303-R306 PolarHBondContact O-N 2.88Å; R303-S307 WeakPolarHBondContact O-CB 3.39Å; R303-S307 PolarHBondContact O-N 3.47Å; R303-S307 PolarHBondContact O-OG 3.43Å
304	L	55	Low	53.2	Low	82 Å²	82	103 Å²	103	43%	0.429	50%	0.496	S	S	.	.	H	α-helix	trans	-68.7	-37.7	177.1	-74.5	171.5	0	0	0	111.7	T300 A301 S307 N308	T300-L304 HydrophobicContact CG2-CD1 4.42Å; T300-L304 WeakPolarHBondContact O-CB 3.14Å; T300-L304 VanDerWaalsContact O-CG 3.3Å; T300-L304 WeakPolarHBondContact O-CG 3.28Å; T300-L304 PolarHBondContact O-N 2.9Å; A301-L304 CarbonylContact O-C 3.55Å; A301-L304 PolarHBondContact O-N 3.24Å; L304-S307 WeakPolarHBondContact CA-OG 3.49Å; L304-S307 PolarHBondContact O-N 3.32Å; L304-S307 PolarHBondContact O-OG 2.95Å; L304-N308 WeakPolarHBondContact O-CB 3.39Å; L304-N308 PolarHBondContact O-N 3.26Å
305	E	52.2	Low	54.1	Low	137 Å²	137	100 Å²	100	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-66.4	-44.9	173.4	-171.1	-177	-163.8	0	0	110.7	A301 S307 N308	A301-E305 WeakPolarHBondContact O-CB 3.49Å; A301-E305 PolarHBondContact O-N 2.77Å; E305-S307 VanDerWaalsContact C-N 3.31Å; E305-S307 PolarHBondContact O-N 2.91Å; E305-N308 CarbonylContact O-C 3.58Å; E305-N308 PolarHBondContact O-N 3.13Å; E305-N308 VanDerWaalsContact O-N 3.16Å
306	R	52.1	Low	55	Low	168 Å²	168	99.1 Å²	99.1	63%	0.634	48%	0.475	S	S	*	.	H	α-helix	trans	-64.1	-33.1	173.5	-73.2	-174.4	-169.9	102.3	0.5	112.9	S302 R303	S302-R306 WeakPolarHBondContact O-CB 3.43Å; S302-R306 VanDerWaalsContact O-CG 3.26Å; S302-R306 WeakPolarHBondContact O-CG 3.47Å; S302-R306 PolarHBondContact O-N 3.47Å; S302-R306 PolarHBondContact OG-NH1 3.18Å; R303-R306 PolarHBondContact O-N 2.88Å
307	S	53.5	Low	56.1	Low	79 Å²	79	93.8 Å²	93.8	55%	0.552	46%	0.461	S	S	*	.	H	α-helix	trans	-76.6	-26.9	175.1	74.7	0	0	0	0	112	R303 L304 E305 R309	R303-S307 WeakPolarHBondContact O-CB 3.39Å; R303-S307 PolarHBondContact O-N 3.47Å; R303-S307 PolarHBondContact O-OG 3.43Å; L304-S307 WeakPolarHBondContact CA-OG 3.49Å; L304-S307 PolarHBondContact O-N 3.32Å; L304-S307 PolarHBondContact O-OG 2.95Å; E305-S307 VanDerWaalsContact C-N 3.31Å; E305-S307 PolarHBondContact O-N 2.91Å; S307-R309 VanDerWaalsContact C-N 3.26Å; S307-R309 PolarHBondContact O-N 2.77Å
308	N	51.1	Low	57	Low	91 Å²	91	97.5 Å²	97.5	49%	0.487	47%	0.467	S	S	.	.			trans	-75.8	76.1	173	-165.4	4.4	0	0	0	110.5	L304 E305 I310 W311	L304-N308 WeakPolarHBondContact O-CB 3.39Å; L304-N308 PolarHBondContact O-N 3.26Å; E305-N308 CarbonylContact O-C 3.58Å; E305-N308 PolarHBondContact O-N 3.13Å; E305-N308 VanDerWaalsContact O-N 3.16Å; N308-I310 PolarHBondContact O-N 3.47Å; N308-I310 WeakPolarHBondContact OD1-CD1 3.38Å; N308-I310 WeakPolarHBondContact OD1-CG1 3.42Å; N308-W311 VanDerWaalsContact O-CD1 3.22Å
309	R	58	Low	58.4	Low	140 Å²	140	92.1 Å²	92.1	53%	0.528	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	22.4	-179.8	-71.4	176.8	164	-133.1	0.9	114.9	S307 W311 E312 I313	S307-R309 VanDerWaalsContact C-N 3.26Å; S307-R309 PolarHBondContact O-N 2.77Å; R309-W311 PolarHBondContact O-N 2.97Å; R309-E312 HydrophobicContact CB-CB 4.39Å; R309-E312 HydrophobicContact CB-CG 4Å; R309-E312 VanDerWaalsContact CD-OE1 3.28Å; R309-E312 WeakPolarHBondContact CD-OE1 3.18Å; R309-E312 WeakPolarHBondContact CD-OE2 3.3Å; R309-E312 HydrophobicContact CG-CG 4.17Å; R309-E312 WeakPolarHBondContact CG-OE1 2.93Å; R309-E312 IonicContact CZ-OE1 2.84Å; R309-E312 IonicContact CZ-OE2 2.69Å; R309-E312 IonicContact NE-OE1 3.23Å; R309-E312 PolarHBondContact NE-OE1 2.84Å; R309-E312 VanDerWaalsContact NE-OE1 3.08Å; R309-E312 IonicContact NE-OE2 3.78Å; R309-E312 VanDerWaalsContact NH1-CD 3.28Å; R309-E312 IonicContact NH1-OE1 3.99Å; R309-E312 PolarHBondContact NH1-OE1 3.34Å; R309-E312 IonicContact NH1-OE2 3.83Å; R309-E312 PolarHBondContact NH1-OE2 2.85Å; R309-E312 IonicContact NH2-OE1 2.68Å; R309-E312 WeakPolarHBondContact O-CB 3.32Å; R309-E312 PolarHBondContact O-N 3.21Å; R309-I313 PolarHBondContact O-N 3.37Å
310	I	62.8	Low	59.6	Low	101 Å²	101	95.7 Å²	95.7	52%	0.518	45%	0.453	S	S	.	.	H	α-helix	trans	-56.4	-36.2	168.9	-70.9	170.8	0	0	0	109.9	N308 E312 I313 E314	N308-I310 PolarHBondContact O-N 3.47Å; N308-I310 WeakPolarHBondContact OD1-CD1 3.38Å; N308-I310 WeakPolarHBondContact OD1-CG1 3.42Å; I310-E312 PolarHBondContact O-N 3.47Å; I310-I313 WeakPolarHBondContact O-CA 3.02Å; I310-I313 WeakPolarHBondContact O-CB 3.38Å; I310-I313 PolarHBondContact O-N 3.17Å; I310-E314 PolarHBondContact O-N 2.84Å
311	W	54.4	Low	60.6	Low	140 Å²	140	98.4 Å²	98.4	53%	0.53	47%	0.465	S	S	.	.	H	α-helix	trans	-58.2	-31.9	174.9	67.4	-97.2	0	0	0	112.8	N308 R309 E314 A315	N308-W311 VanDerWaalsContact O-CD1 3.22Å; R309-W311 PolarHBondContact O-N 2.97Å; W311-E314 PolarHBondContact O-N 2.82Å; W311-A315 VanDerWaalsContact O-CB 3.23Å; W311-A315 WeakPolarHBondContact O-CB 3.44Å; W311-A315 PolarHBondContact O-N 3.32Å
312	E	61.1	Low	61.8	Low	31 Å²	31	99.1 Å²	99.1	15%	0.145	46%	0.456	C	S	.	.	H	α-helix	trans	-70.1	-34.9	175	-63	-176.5	177.5	0	0	111.7	R309 I310 R316	R309-E312 HydrophobicContact CB-CB 4.39Å; R309-E312 HydrophobicContact CB-CG 4Å; R309-E312 VanDerWaalsContact CD-OE1 3.28Å; R309-E312 WeakPolarHBondContact CD-OE1 3.18Å; R309-E312 WeakPolarHBondContact CD-OE2 3.3Å; R309-E312 HydrophobicContact CG-CG 4.17Å; R309-E312 WeakPolarHBondContact CG-OE1 2.93Å; R309-E312 IonicContact CZ-OE1 2.84Å; R309-E312 IonicContact CZ-OE2 2.69Å; R309-E312 IonicContact NE-OE1 3.23Å; R309-E312 PolarHBondContact NE-OE1 2.84Å; R309-E312 VanDerWaalsContact NE-OE1 3.08Å; R309-E312 IonicContact NE-OE2 3.78Å; R309-E312 VanDerWaalsContact NH1-CD 3.28Å; R309-E312 IonicContact NH1-OE1 3.99Å; R309-E312 PolarHBondContact NH1-OE1 3.34Å; R309-E312 IonicContact NH1-OE2 3.83Å; R309-E312 PolarHBondContact NH1-OE2 2.85Å; R309-E312 IonicContact NH2-OE1 2.68Å; R309-E312 WeakPolarHBondContact O-CB 3.32Å; R309-E312 PolarHBondContact O-N 3.21Å; I310-E312 PolarHBondContact O-N 3.47Å; E312-R316 WeakPolarHBondContact O-CB 3.15Å; E312-R316 WeakPolarHBondContact O-CD 3.29Å; E312-R316 WeakPolarHBondContact O-CG 3.38Å; E312-R316 PolarHBondContact O-N 2.62Å; E312-R316 VanDerWaalsContact O-N 3.11Å
313	I	60.1	Low	63	Low	109 Å²	109	99.9 Å²	99.9	56%	0.559	46%	0.459	S	S	*	.	H	α-helix	trans	-70.2	-42.2	175.8	-59.2	174.3	0	0	0	109.4	R309 I310 R316 S317	R309-I313 PolarHBondContact O-N 3.37Å; I310-I313 WeakPolarHBondContact O-CA 3.02Å; I310-I313 WeakPolarHBondContact O-CB 3.38Å; I310-I313 PolarHBondContact O-N 3.17Å; I313-R316 WeakPolarHBondContact O-CB 3.45Å; I313-R316 PolarHBondContact O-N 3.27Å; I313-S317 PolarHBondContact O-N 2.91Å; I313-S317 PolarHBondContact O-OG 3.02Å
314	E	65.3	Low	64	Low	90 Å²	90	97.6 Å²	97.6	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-67.1	-44.7	179	-164.8	-179.3	159.8	0	0	112.1	I310 W311 R316 S317 R318	I310-E314 PolarHBondContact O-N 2.84Å; W311-E314 PolarHBondContact O-N 2.82Å; E314-R316 VanDerWaalsContact C-N 3.3Å; E314-R316 PolarHBondContact O-N 3Å; E314-S317 VanDerWaalsContact CA-OG 3.3Å; E314-S317 WeakPolarHBondContact CA-OG 3.4Å; E314-S317 PolarHBondContact O-N 3.34Å; E314-S317 VanDerWaalsContact O-N 3.11Å; E314-S317 PolarHBondContact O-OG 3.5Å; E314-R318 WeakPolarHBondContact O-CG 3.46Å; E314-R318 PolarHBondContact O-N 3.15Å; E314-R318 IonicContact OE1-CZ 3.28Å; E314-R318 IonicContact OE1-NE 3.9Å; E314-R318 IonicContact OE1-NH2 2.69Å; E314-R318 PolarHBondContact OE1-NH2 3.44Å
315	A	65	Low	65.1	Low	50 Å²	50	100.3 Å²	100.3	41%	0.413	46%	0.46	S	S	.	.	H	α-helix	trans	-58.8	-41.9	173.6	0	0	0	0	0	111.5	W311 S317 R318 Y319	W311-A315 VanDerWaalsContact O-CB 3.23Å; W311-A315 WeakPolarHBondContact O-CB 3.44Å; W311-A315 PolarHBondContact O-N 3.32Å; A315-S317 PolarHBondContact O-N 3.43Å; A315-R318 PolarHBondContact O-N 3.03Å; A315-Y319 PolarHBondContact O-N 3.12Å
316	R	63.7	Low	66.3	Low	100 Å²	100	94.1 Å²	94.1	38%	0.377	43%	0.431	S	S	.	.	H	α-helix	trans	-59.5	-45.9	172.6	-77.4	172.2	-173.9	135.2	5	112	E312 I313 E314 R318 Y319 F320	E312-R316 WeakPolarHBondContact O-CB 3.15Å; E312-R316 WeakPolarHBondContact O-CD 3.29Å; E312-R316 WeakPolarHBondContact O-CG 3.38Å; E312-R316 PolarHBondContact O-N 2.62Å; E312-R316 VanDerWaalsContact O-N 3.11Å; I313-R316 WeakPolarHBondContact O-CB 3.45Å; I313-R316 PolarHBondContact O-N 3.27Å; E314-R316 VanDerWaalsContact C-N 3.3Å; E314-R316 PolarHBondContact O-N 3Å; R316-R318 VanDerWaalsContact C-N 3.32Å; R316-R318 PolarHBondContact O-N 3.3Å; R316-Y319 PolarHBondContact O-N 3.3Å; R316-F320 WeakPolarHBondContact O-CD2 3.16Å; R316-F320 PolarHBondContact O-N 3.09Å
317	S	68.3	Low	67.5	Low	52 Å²	52	87.7 Å²	87.7	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-41.7	177.9	43.5	0	0	0	0	112.1	I313 E314 A315 F320 D321	I313-S317 PolarHBondContact O-N 2.91Å; I313-S317 PolarHBondContact O-OG 3.02Å; E314-S317 VanDerWaalsContact CA-OG 3.3Å; E314-S317 WeakPolarHBondContact CA-OG 3.4Å; E314-S317 PolarHBondContact O-N 3.34Å; E314-S317 VanDerWaalsContact O-N 3.11Å; E314-S317 PolarHBondContact O-OG 3.5Å; A315-S317 PolarHBondContact O-N 3.43Å; S317-F320 PolarHBondContact O-N 3.12Å; S317-D321 WeakPolarHBondContact O-CB 3.44Å; S317-D321 VanDerWaalsContact O-CG 3.27Å; S317-D321 PolarHBondContact O-N 3.21Å
318	R	71.2	Confident	68.6	Low	154 Å²	154	88.1 Å²	88.1	58%	0.581	41%	0.412	S	S	*	.	H	α-helix	trans	-62.3	-45.2	177.4	-67.9	180	-169.5	-177.4	2.7	112	E314 A315 R316 F320 D321 R322	E314-R318 WeakPolarHBondContact O-CG 3.46Å; E314-R318 PolarHBondContact O-N 3.15Å; E314-R318 IonicContact OE1-CZ 3.28Å; E314-R318 IonicContact OE1-NE 3.9Å; E314-R318 IonicContact OE1-NH2 2.69Å; E314-R318 PolarHBondContact OE1-NH2 3.44Å; A315-R318 PolarHBondContact O-N 3.03Å; R316-R318 VanDerWaalsContact C-N 3.32Å; R316-R318 PolarHBondContact O-N 3.3Å; R318-F320 PolarHBondContact O-N 3.01Å; R318-D321 PolarHBondContact O-N 2.76Å; R318-R322 WeakPolarHBondContact O-CB 3.35Å; R318-R322 PolarHBondContact O-N 2.69Å
319	Y	76	Confident	70	Confident	57 Å²	57	87.7 Å²	87.7	22%	0.224	41%	0.41	C	S	.	.	H	α-helix	trans	-57.7	-48	174.7	176.2	-90.3	0	0	0	111.7	A315 R316 R322 L323 S337 A340 D341	A315-Y319 PolarHBondContact O-N 3.12Å; R316-Y319 PolarHBondContact O-N 3.3Å; Y319-R322 PolarHBondContact O-N 3.32Å; Y319-L323 HydrophobicContact CE1-CB 4.46Å; Y319-L323 HydrophobicContact CE1-CD2 4.02Å; Y319-L323 VanDerWaalsContact O-CB 3.29Å; Y319-L323 WeakPolarHBondContact O-CB 3.45Å; Y319-L323 PolarHBondContact O-N 3.49Å; Y319-S337 WeakPolarHBondContact OH-CA 3.47Å; Y319-S337 PolarHBondContact OH-O 3.02Å; Y319-S337 PolarHBondContact OH-OG 3.5Å; Y319-A340 HydrophobicContact CD2-CB 3.74Å; Y319-A340 WeakPolarHBondContact CD2-O 3.18Å; Y319-A340 HydrophobicContact CE2-CB 3.49Å; Y319-A340 VanDerWaalsContact CE2-CB 3.49Å; Y319-A340 HydrophobicContact CG-CB 4.49Å; Y319-D341 HydrophobicContact CE2-CB 4.23Å
320	F	74.4	Confident	71	Confident	122 Å²	122	84.2 Å²	84.2	54%	0.535	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-39.8	179.8	-82.4	-65.4	0	0	0	113.1	R316 S317 R318 R322 L323 K324	R316-F320 WeakPolarHBondContact O-CD2 3.16Å; R316-F320 PolarHBondContact O-N 3.09Å; S317-F320 PolarHBondContact O-N 3.12Å; R318-F320 PolarHBondContact O-N 3.01Å; F320-R322 VanDerWaalsContact C-N 3.32Å; F320-L323 PolarHBondContact O-N 3.09Å; F320-K324 VanDerWaalsContact O-CB 3.23Å; F320-K324 WeakPolarHBondContact O-CB 3.41Å; F320-K324 PolarHBondContact O-N 3.06Å
321	D	75.3	Confident	71.5	Confident	109 Å²	109	82.1 Å²	82.1	58%	0.583	41%	0.405	S	S	*	.	H	α-helix	trans	-64.7	-40.2	177.3	-71.5	-25.7	0	0	0	110.7	S317 R318 Y325	S317-D321 WeakPolarHBondContact O-CB 3.44Å; S317-D321 VanDerWaalsContact O-CG 3.27Å; S317-D321 PolarHBondContact O-N 3.21Å; R318-D321 PolarHBondContact O-N 2.76Å; D321-Y325 WeakPolarHBondContact O-CB 3.26Å; D321-Y325 PolarHBondContact O-N 2.96Å
322	R	76.4	Confident	72.6	Confident	70 Å²	70	82.6 Å²	82.6	26%	0.264	41%	0.413	S	S	.	.	H	α-helix	trans	-68.5	-45.4	175.3	-170.1	166.1	176.1	169	-4.9	112.5	R318 Y319 F320 K324 Y325 L326 L339 A340 D342	R318-R322 WeakPolarHBondContact O-CB 3.35Å; R318-R322 PolarHBondContact O-N 2.69Å; Y319-R322 PolarHBondContact O-N 3.32Å; F320-R322 VanDerWaalsContact C-N 3.32Å; R322-K324 VanDerWaalsContact C-N 3.3Å; R322-K324 PolarHBondContact O-N 3.42Å; R322-Y325 WeakPolarHBondContact O-CB 3.36Å; R322-Y325 PolarHBondContact O-N 3.31Å; R322-L326 HydrophobicContact CG-CD1 4.23Å; R322-L326 WeakPolarHBondContact O-CG 3.49Å; R322-L326 PolarHBondContact O-N 2.85Å; R322-L339 PolarHBondContact NE-O 3.35Å; R322-L339 PolarHBondContact NH2-O 2.81Å; R322-A340 HydrophobicContact CB-CB 4.35Å; R322-A340 HydrophobicContact CG-CB 4.25Å; R322-D342 PolarHBondContact NH1-O 3.23Å; R322-D342 VanDerWaalsContact NH1-O 3.16Å; R322-D342 PolarHBondContact NH2-O 2.84Å
323	L	73.6	Confident	73.3	Confident	29 Å²	29	83.8 Å²	83.8	15%	0.152	43%	0.428	C	S	.	.	H	α-helix	trans	-57.7	-45.4	174.8	179.7	64.4	0	0	0	110.8	Y319 F320 Y325 L326 I327 A336 A340	Y319-L323 HydrophobicContact CE1-CB 4.46Å; Y319-L323 HydrophobicContact CE1-CD2 4.02Å; Y319-L323 VanDerWaalsContact O-CB 3.29Å; Y319-L323 WeakPolarHBondContact O-CB 3.45Å; Y319-L323 PolarHBondContact O-N 3.49Å; F320-L323 PolarHBondContact O-N 3.09Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; L323-Y325 PolarHBondContact O-N 3Å; L323-L326 PolarHBondContact O-N 2.84Å; L323-I327 HydrophobicContact CD1-CD1 3.86Å; L323-I327 HydrophobicContact CD1-CG1 4.25Å; L323-I327 HydrophobicContact CD2-CD1 4.48Å; L323-I327 HydrophobicContact CG-CD1 3.8Å; L323-I327 HydrophobicContact CG-CG1 4.49Å; L323-I327 WeakPolarHBondContact O-CB 3.45Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.41Å; L323-I327 PolarHBondContact O-N 2.94Å; L323-A336 HydrophobicContact CD1-CB 3.76Å; L323-A340 HydrophobicContact CB-CB 4.16Å
324	K	75.1	Confident	74.1	Confident	138 Å²	138	84.3 Å²	84.3	60%	0.6	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-42.6	177.6	-173.9	-178.2	177.2	-170.8	0	111.7	F320 R322 S328	F320-K324 VanDerWaalsContact O-CB 3.23Å; F320-K324 WeakPolarHBondContact O-CB 3.41Å; F320-K324 PolarHBondContact O-N 3.06Å; R322-K324 VanDerWaalsContact C-N 3.3Å; R322-K324 PolarHBondContact O-N 3.42Å; K324-S328 WeakPolarHBondContact O-CB 2.95Å; K324-S328 PolarHBondContact O-N 3.48Å; K324-S328 PolarHBondContact O-OG 2.77Å; K324-S328 VanDerWaalsContact O-OG 3.1Å
325	Y	78	Confident	74.7	Confident	140 Å²	140	84.1 Å²	84.1	55%	0.549	43%	0.433	S	S	.	.	H	α-helix	trans	-61.5	-47.4	176.3	175.9	-103.4	0	0	0	112.1	D321 R322 L323 S328 N329	D321-Y325 WeakPolarHBondContact O-CB 3.26Å; D321-Y325 PolarHBondContact O-N 2.96Å; R322-Y325 WeakPolarHBondContact O-CB 3.36Å; R322-Y325 PolarHBondContact O-N 3.31Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; L323-Y325 PolarHBondContact O-N 3Å; Y325-S328 WeakPolarHBondContact CA-OG 3.17Å; Y325-S328 PolarHBondContact O-N 3.35Å; Y325-S328 PolarHBondContact O-OG 2.8Å; Y325-N329 WeakPolarHBondContact CE1-ND2 3.39Å; Y325-N329 PolarHBondContact O-N 3.49Å; Y325-N329 PolarHBondContact O-ND2 3.25Å; Y325-N329 PolarHBondContact OH-ND2 2.85Å
326	L	77.1	Confident	75.2	Confident	7 Å²	7	81.8 Å²	81.8	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-63	-45.9	177.9	-69.1	168.7	0	0	0	111.6	R322 L323 S328 N329 G330 F331 A336 L339 A340 L348	R322-L326 HydrophobicContact CG-CD1 4.23Å; R322-L326 WeakPolarHBondContact O-CG 3.49Å; R322-L326 PolarHBondContact O-N 2.85Å; L323-L326 PolarHBondContact O-N 2.84Å; L326-S328 VanDerWaalsContact C-N 3.29Å; L326-S328 PolarHBondContact O-N 3.41Å; L326-N329 PolarHBondContact O-N 3.06Å; L326-G330 PolarHBondContact O-N 3.26Å; L326-F331 HydrophobicContact CB-CB 4.38Å; L326-F331 HydrophobicContact CB-CD2 4.18Å; L326-F331 HydrophobicContact CB-CG 4.49Å; L326-F331 HydrophobicContact CD2-CD2 3.91Å; L326-F331 HydrophobicContact CD2-CE2 3.94Å; L326-F331 HydrophobicContact CD2-CG 4.5Å; L326-F331 WeakPolarHBondContact O-CB 3.45Å; L326-F331 VanDerWaalsContact O-CD2 3.27Å; L326-F331 WeakPolarHBondContact O-CD2 3.42Å; L326-F331 PolarHBondContact O-N 3.46Å; L326-A336 HydrophobicContact CB-CB 3.72Å; L326-A336 HydrophobicContact CD1-CB 4.37Å; L326-A336 WeakPolarHBondContact CD1-O 3.24Å; L326-L339 HydrophobicContact CD1-CB 3.68Å; L326-L339 HydrophobicContact CD2-CD1 4.5Å; L326-A340 HydrophobicContact CD1-CB 4.28Å; L326-L348 HydrophobicContact CD2-CD1 4.23Å
327	I	77.7	Confident	75.7	Confident	33 Å²	33	79.3 Å²	79.3	17%	0.169	41%	0.412	C	S	.	.	H	α-helix	trans	-61.3	-39.6	176.6	-69.8	173.9	0	0	0	111	L107 L323 N329 G330 A336	L107-I327 HydrophobicContact CD1-CG2 4.04Å; L107-I327 HydrophobicContact CD2-CG2 3.31Å; L107-I327 HydrophobicContact CG-CG2 4.06Å; L323-I327 HydrophobicContact CD1-CD1 3.86Å; L323-I327 HydrophobicContact CD1-CG1 4.25Å; L323-I327 HydrophobicContact CD2-CD1 4.48Å; L323-I327 HydrophobicContact CG-CD1 3.8Å; L323-I327 HydrophobicContact CG-CG1 4.49Å; L323-I327 WeakPolarHBondContact O-CB 3.45Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.41Å; L323-I327 PolarHBondContact O-N 2.94Å; I327-N329 PolarHBondContact O-N 3.25Å; I327-G330 PolarHBondContact O-N 3.46Å; I327-G330 VanDerWaalsContact O-N 3.08Å; I327-A336 HydrophobicContact CG1-CB 3.95Å
328	S	75.6	Confident	76.2	Confident	88 Å²	88	83 Å²	83	62%	0.615	42%	0.424	S	S	*	.	H	α-helix	trans	-66.9	-24.3	175.7	57.3	0	0	0	0	113.9	K324 Y325 L326 G330	K324-S328 WeakPolarHBondContact O-CB 2.95Å; K324-S328 PolarHBondContact O-N 3.48Å; K324-S328 PolarHBondContact O-OG 2.77Å; K324-S328 VanDerWaalsContact O-OG 3.1Å; Y325-S328 WeakPolarHBondContact CA-OG 3.17Å; Y325-S328 PolarHBondContact O-N 3.35Å; Y325-S328 PolarHBondContact O-OG 2.8Å; L326-S328 VanDerWaalsContact C-N 3.29Å; L326-S328 PolarHBondContact O-N 3.41Å; S328-G330 PolarHBondContact O-N 3.12Å
329	N	80.9	Confident	76.5	Confident	82 Å²	82	77.5 Å²	77.5	44%	0.439	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	3.6	173.5	-70.7	-19.1	0	0	0	113.2	Y325 L326 I327 F331	Y325-N329 WeakPolarHBondContact CE1-ND2 3.39Å; Y325-N329 PolarHBondContact O-N 3.49Å; Y325-N329 PolarHBondContact O-ND2 3.25Å; Y325-N329 PolarHBondContact OH-ND2 2.85Å; L326-N329 PolarHBondContact O-N 3.06Å; I327-N329 PolarHBondContact O-N 3.25Å; N329-F331 HydrophobicContact CB-CD2 3.95Å; N329-F331 HydrophobicContact CB-CE2 4.02Å
330	G	78.4	Confident	76.5	Confident	67 Å²	67	75 Å²	75	69%	0.691	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	11.4	175.3	0	0	0	0	0	114.9	L326 I327 S328	L326-G330 PolarHBondContact O-N 3.26Å; I327-G330 PolarHBondContact O-N 3.46Å; I327-G330 VanDerWaalsContact O-N 3.08Å; S328-G330 PolarHBondContact O-N 3.12Å
331	F	73.1	Confident	76.5	Confident	57 Å²	57	75.2 Å²	75.2	25%	0.25	40%	0.403	C	S	.	.			trans	-67.8	140.5	172	-71.1	-87.3	0	0	0	110.8	L326 N329 L335 A336 L339 L348	L326-F331 HydrophobicContact CB-CB 4.38Å; L326-F331 HydrophobicContact CB-CD2 4.18Å; L326-F331 HydrophobicContact CB-CG 4.49Å; L326-F331 HydrophobicContact CD2-CD2 3.91Å; L326-F331 HydrophobicContact CD2-CE2 3.94Å; L326-F331 HydrophobicContact CD2-CG 4.5Å; L326-F331 WeakPolarHBondContact O-CB 3.45Å; L326-F331 VanDerWaalsContact O-CD2 3.27Å; L326-F331 WeakPolarHBondContact O-CD2 3.42Å; L326-F331 PolarHBondContact O-N 3.46Å; N329-F331 HydrophobicContact CB-CD2 3.95Å; N329-F331 HydrophobicContact CB-CE2 4.02Å; F331-L335 HydrophobicContact CD1-CD2 3.59Å; F331-L335 HydrophobicContact CE1-CD2 4.09Å; F331-A336 HydrophobicContact CB-CB 4.02Å; F331-L339 HydrophobicContact CD1-CD1 4.22Å; F331-L339 HydrophobicContact CE1-CD1 4.13Å; F331-L348 HydrophobicContact CE1-CD2 4.42Å; F331-L348 HydrophobicContact CE2-CD1 4.29Å; F331-L348 HydrophobicContact CZ-CD1 4.21Å; F331-L348 HydrophobicContact CZ-CD2 3.74Å
332	E	79.1	Confident	76.3	Confident	149 Å²	149	74.5 Å²	74.5	70%	0.696	40%	0.399	S	S	*	.			trans	-63.6	142.1	171.6	-169.6	169.3	-162.4	0	0	110.1	D334 L335 A336	E332-D334 VanDerWaalsContact C-N 3.25Å; E332-D334 PolarHBondContact O-N 3.24Å; E332-D334 VanDerWaalsContact O-N 3.17Å; E332-L335 PolarHBondContact O-N 3.48Å; E332-L335 VanDerWaalsContact O-N 3.09Å; E332-A336 WeakPolarHBondContact O-CB 3.23Å; E332-A336 PolarHBondContact O-N 3.43Å
333	A	75.7	Confident	75.5	Confident	57 Å²	57	77.7 Å²	77.7	47%	0.471	42%	0.421	S	S	.	.	H	α-helix	trans	-57.7	-36.3	-168.4	0	0	0	0	0	113.5	S337	A333-S337 WeakPolarHBondContact O-CB 3.49Å; A333-S337 PolarHBondContact O-N 3.34Å
334	D	77.3	Confident	74.3	Confident	119 Å²	119	84.1 Å²	84.1	64%	0.636	45%	0.451	S	S	*	.	H	α-helix	trans	-68.4	-41.8	179.5	-67.8	-16	0	0	0	111.6	E332 S337 Q338	E332-D334 VanDerWaalsContact C-N 3.25Å; E332-D334 PolarHBondContact O-N 3.24Å; E332-D334 VanDerWaalsContact O-N 3.17Å; D334-S337 PolarHBondContact O-N 3.46Å; D334-Q338 WeakPolarHBondContact O-CG 3.42Å; D334-Q338 PolarHBondContact O-N 3.26Å
335	L	76.8	Confident	72.8	Confident	87 Å²	87	82.6 Å²	82.6	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-72.9	-38.9	178.6	-159.9	121.7	0	0	0	111.3	F331 E332 S337 Q338 L339	F331-L335 HydrophobicContact CD1-CD2 3.59Å; F331-L335 HydrophobicContact CE1-CD2 4.09Å; E332-L335 PolarHBondContact O-N 3.48Å; E332-L335 VanDerWaalsContact O-N 3.09Å; L335-S337 VanDerWaalsContact C-N 3.3Å; L335-S337 PolarHBondContact O-N 3.47Å; L335-Q338 PolarHBondContact O-N 2.81Å; L335-L339 HydrophobicContact CD2-CD1 3.65Å; L335-L339 HydrophobicContact CD2-CG 4.43Å; L335-L339 HydrophobicContact CG-CD1 4.47Å; L335-L339 WeakPolarHBondContact O-CB 3.38Å; L335-L339 WeakPolarHBondContact O-CG 3.13Å; L335-L339 PolarHBondContact O-N 3.34Å
336	A	76	Confident	71.3	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-63.1	-36.3	174.2	0	0	0	0	0	112.2	L323 L326 I327 F331 E332 A340	L323-A336 HydrophobicContact CD1-CB 3.76Å; L326-A336 HydrophobicContact CB-CB 3.72Å; L326-A336 HydrophobicContact CD1-CB 4.37Å; L326-A336 WeakPolarHBondContact CD1-O 3.24Å; I327-A336 HydrophobicContact CG1-CB 3.95Å; F331-A336 HydrophobicContact CB-CB 4.02Å; E332-A336 WeakPolarHBondContact O-CB 3.23Å; E332-A336 PolarHBondContact O-N 3.43Å; A336-A340 WeakPolarHBondContact O-CB 3.39Å; A336-A340 PolarHBondContact O-N 2.89Å
337	S	74.5	Confident	69.5	Low	48 Å²	48	87.3 Å²	87.3	34%	0.336	49%	0.491	S	S	.	.	H	α-helix	trans	-65	-39.6	175.4	177.8	0	0	0	0	112.5	Y319 A333 D334 L335	Y319-S337 WeakPolarHBondContact OH-CA 3.47Å; Y319-S337 PolarHBondContact OH-O 3.02Å; Y319-S337 PolarHBondContact OH-OG 3.5Å; A333-S337 WeakPolarHBondContact O-CB 3.49Å; A333-S337 PolarHBondContact O-N 3.34Å; D334-S337 PolarHBondContact O-N 3.46Å; L335-S337 VanDerWaalsContact C-N 3.3Å; L335-S337 PolarHBondContact O-N 3.47Å
338	Q	77.7	Confident	67.9	Low	131 Å²	131	90.4 Å²	90.4	61%	0.612	51%	0.507	S	S	*	.	H	α-helix	trans	-68.9	-49.5	177	-69	174.4	23	0	0	110.6	D334 L335 A340 D341 D342	D334-Q338 WeakPolarHBondContact O-CG 3.42Å; D334-Q338 PolarHBondContact O-N 3.26Å; L335-Q338 PolarHBondContact O-N 2.81Å; Q338-A340 PolarHBondContact O-N 2.93Å; Q338-D341 PolarHBondContact O-N 3.5Å; Q338-D342 PolarHBondContact O-N 2.89Å
339	L	78.1	Confident	66	Low	38 Å²	38	94.1 Å²	94.1	20%	0.199	51%	0.514	C	S	.	.	H	α-helix	trans	-65.9	-19.5	178.7	-71.3	174.8	0	0	0	114.6	R322 L326 F331 L335	R322-L339 PolarHBondContact NE-O 3.35Å; R322-L339 PolarHBondContact NH2-O 2.81Å; L326-L339 HydrophobicContact CD1-CB 3.68Å; L326-L339 HydrophobicContact CD2-CD1 4.5Å; F331-L339 HydrophobicContact CD1-CD1 4.22Å; F331-L339 HydrophobicContact CE1-CD1 4.13Å; L335-L339 HydrophobicContact CD2-CD1 3.65Å; L335-L339 HydrophobicContact CD2-CG 4.43Å; L335-L339 HydrophobicContact CG-CD1 4.47Å; L335-L339 WeakPolarHBondContact O-CB 3.38Å; L335-L339 WeakPolarHBondContact O-CG 3.13Å; L335-L339 PolarHBondContact O-N 3.34Å
340	A	76.1	Confident	63.6	Low	4 Å²	4	100.8 Å²	100.8	3%	0.033	54%	0.535	C	S	.	.	H	α-helix	trans	-82.2	-22.5	174.6	0	0	0	0	0	112.8	Y319 R322 L323 L326 A336 Q338	Y319-A340 HydrophobicContact CD2-CB 3.74Å; Y319-A340 WeakPolarHBondContact CD2-O 3.18Å; Y319-A340 HydrophobicContact CE2-CB 3.49Å; Y319-A340 VanDerWaalsContact CE2-CB 3.49Å; Y319-A340 HydrophobicContact CG-CB 4.49Å; R322-A340 HydrophobicContact CB-CB 4.35Å; R322-A340 HydrophobicContact CG-CB 4.25Å; L323-A340 HydrophobicContact CB-CB 4.16Å; L326-A340 HydrophobicContact CD1-CB 4.28Å; A336-A340 WeakPolarHBondContact O-CB 3.39Å; A336-A340 PolarHBondContact O-N 2.89Å; Q338-A340 PolarHBondContact O-N 2.93Å
341	D	75	Confident	61.4	Low	127 Å²	127	103.3 Å²	103.3	68%	0.679	54%	0.542	S	S	*	.	H	α-helix	trans	-84.1	-30.5	177.3	-144.1	22.1	0	0	0	111	Y319 Q338 D343	Y319-D341 HydrophobicContact CE2-CB 4.23Å; Q338-D341 PolarHBondContact O-N 3.5Å; D341-D343 PolarHBondContact O-N 3.25Å
342	D	70	Confident	59.2	Low	94 Å²	94	102.2 Å²	102.2	50%	0.503	55%	0.547	S	S	.	.			trans	-75	90.4	174.1	-67.4	-27.1	0	0	0	110.3	R322 Q338 E344	R322-D342 PolarHBondContact NH1-O 3.23Å; R322-D342 VanDerWaalsContact NH1-O 3.16Å; R322-D342 PolarHBondContact NH2-O 2.84Å; Q338-D342 PolarHBondContact O-N 2.89Å; D342-E344 PolarHBondContact O-N 3.44Å; D342-E344 VanDerWaalsContact O-N 3.13Å
343	D	59.2	Low	56.7	Low	136 Å²	136	102.7 Å²	102.7	73%	0.727	55%	0.554	S	S	*	*			trans	-59.7	-19.3	176.2	-103.9	-16.2	0	0	0	112.8	D341 S345	D341-D343 PolarHBondContact O-N 3.25Å; D343-S345 PolarHBondContact O-N 3.18Å
344	E	49.3	Very low	54.5	Low	165 Å²	165	106.4 Å²	106.4	77%	0.771	57%	0.571	S	S	*	*	S	Bend	trans	-66.8	123.1	176.4	-69.3	-162.4	167.4	0	0	110.5	D342 T346	D342-E344 PolarHBondContact O-N 3.44Å; D342-E344 VanDerWaalsContact O-N 3.13Å; E344-T346 PolarHBondContact O-N 3.26Å; E344-T346 PolarHBondContact O-OG1 3.18Å
345	S	43.9	Very low	52.2	Low	106 Å²	106	104.9 Å²	104.9	74%	0.741	58%	0.575	S	S	*	*			trans	-57.8	77.4	177.3	51.3	0	0	0	0	111.2	D343 E347	D343-S345 PolarHBondContact O-N 3.18Å; S345-E347 VanDerWaalsContact C-N 3.26Å; S345-E347 PolarHBondContact O-N 3.33Å
346	T	44.9	Very low	49.8	Very low	91 Å²	91	109.2 Å²	109.2	56%	0.558	59%	0.59	S	S	*	*			trans	-73.4	93.4	164.9	-9.9	0	0	0	0	105.7	E344 L348	E344-T346 PolarHBondContact O-N 3.26Å; E344-T346 PolarHBondContact O-OG1 3.18Å; T346-L348 PolarHBondContact O-N 3.42Å
347	E	39.3	Very low	47.6	Very low	155 Å²	155	116.5 Å²	116.5	72%	0.724	63%	0.63	S	S	*	*			trans	-49.3	109.1	168.5	-69.5	-176	156.3	0	0	107.9	S345 H349	S345-E347 VanDerWaalsContact C-N 3.26Å; S345-E347 PolarHBondContact O-N 3.33Å; E347-H349 PolarHBondContact O-N 3.02Å
348	L	44.5	Very low	45.5	Very low	97 Å²	97	121 Å²	121	51%	0.508	65%	0.65	S	S	.	*			trans	-68.8	84.3	178.7	-80.4	166.4	0	0	0	108.4	L326 F331 T346 Y350	L326-L348 HydrophobicContact CD2-CD1 4.23Å; F331-L348 HydrophobicContact CE1-CD2 4.42Å; F331-L348 HydrophobicContact CE2-CD1 4.29Å; F331-L348 HydrophobicContact CZ-CD1 4.21Å; F331-L348 HydrophobicContact CZ-CD2 3.74Å; T346-L348 PolarHBondContact O-N 3.42Å; L348-Y350 VanDerWaalsContact C-N 3.25Å; L348-Y350 PolarHBondContact O-N 3.46Å
349	H	35.9	Very low	43.1	Very low	167 Å²	167	121.4 Å²	121.4	77%	0.773	66%	0.656	S	S	*	*			trans	-66.8	91.4	162.9	-82.5	-72.8	0	0	0	108.4	E347 S351	E347-H349 PolarHBondContact O-N 3.02Å; H349-S351 VanDerWaalsContact C-N 3.29Å; H349-S351 PolarHBondContact O-N 3.09Å
350	Y	30.9	Very low	40.8	Very low	222 Å²	222	124.5 Å²	124.5	87%	0.871	69%	0.687	S	S	*	*			trans	-67.8	87.1	170.7	-166.9	-93.4	0	0	0	108.8	L348 G352	L348-Y350 VanDerWaalsContact C-N 3.25Å; L348-Y350 PolarHBondContact O-N 3.46Å; Y350-G352 PolarHBondContact O-N 3.13Å
351	S	32	Very low	38.5	Very low	119 Å²	119	130.3 Å²	130.3	83%	0.832	73%	0.726	S	S	*	*			trans	-83.6	95.8	166.1	-171.7	0	0	0	0	108.1	H349	H349-S351 VanDerWaalsContact C-N 3.29Å; H349-S351 PolarHBondContact O-N 3.09Å
352	G	26.2	Very low	36.2	Very low	35 Å²	35	132.9 Å²	132.9	36%	0.361	73%	0.731	S	S	.	*			trans	-66.3	150.4	169.8	0	0	0	0	0	111.7	Y350	Y350-G352 PolarHBondContact O-N 3.13Å
353	N	27.2	Very low	34.1	Very low	158 Å²	158	137.6 Å²	137.6	85%	0.845	75%	0.75	S	S	*	*			trans	87.7	102.2	163.9	-54.9	-19.9	0	0	0	117.2
354	T	30.4	Very low	32.6	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	75%	0.751	S	S	*	*				-179.4	100.1	108.8	28	0	0	0	0	107.2
355	A	27.5	Very low	31.6	Very low	86 Å²	86	137.4 Å²	137.4	71%	0.711	76%	0.755	S	S	*	*				66.8	97	96.5	0	0	0	0	0	112.7
356	F	28.1	Very low	30.9	Very low	178 Å²	178	140.4 Å²	140.4	78%	0.781	76%	0.762	S	S	*	*			trans	32.4	107.8	146.4	-67.6	-87.2	0	0	0	117.9
357	D	28	Very low	30	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	77%	0.773	S	S	*	*			trans	-136.7	104.6	133	-97.7	-29.3	0	0	0	109.7	N359	D357-N359 VanDerWaalsContact C-N 3.29Å; D357-N359 PolarHBondContact O-N 2.89Å
358	N	30.7	Very low	29.6	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	77%	0.774	S	S	*	*			trans	-68.6	86.2	169.2	-72.9	-36.7	0	0	0	108.5
359	N	28.9	Very low	28.8	Very low	141 Å²	141	143.9 Å²	143.9	75%	0.754	79%	0.787	S	S	*	*			trans	-108.8	104.7	164.7	-83.3	-29.5	0	0	0	109.5	D357 C361	D357-N359 VanDerWaalsContact C-N 3.29Å; D357-N359 PolarHBondContact O-N 2.89Å; N359-C361 VanDerWaalsContact C-N 3.35Å; N359-C361 PolarHBondContact O-N 2.89Å
360	A	28.5	Very low	28.4	Very low	102 Å²	102	143 Å²	143	84%	0.843	79%	0.789	S	S	*	*			trans	-51.7	94.3	168.1	0	0	0	0	0	109.9	K362	A360-K362 PolarHBondContact O-N 3.33Å
361	C	27.8	Very low	28.4	Very low	127 Å²	127	140.3 Å²	140.3	86%	0.858	79%	0.787	S	S	*	*			trans	-86.8	112.2	172	-150.9	0	0	0	0	108.1	N359	N359-C361 VanDerWaalsContact C-N 3.35Å; N359-C361 PolarHBondContact O-N 2.89Å
362	K	26.2	Very low	28.3	Very low	181 Å²	181	141.7 Å²	141.7	79%	0.787	78%	0.784	S	S	*	*			trans	-53.4	142.2	179.3	-68.3	173.2	175	176.1	0	110.4	A360 D364	A360-K362 PolarHBondContact O-N 3.33Å; K362-D364 VanDerWaalsContact C-N 3.3Å; K362-D364 PolarHBondContact O-N 2.92Å
363	Q	27.1	Very low	28.6	Very low	192 Å²	192	144.6 Å²	144.6	90%	0.897	80%	0.799	S	S	*	*			trans	-58.6	91.7	166.9	-76.7	173.5	-46.2	0	0	109.2
364	D	28.3	Very low	28.9	Very low	139 Å²	139	146.7 Å²	146.7	74%	0.743	80%	0.8	S	S	*	*			trans	-87.2	123.6	162.9	-80.1	-23.7	0	0	0	108.9	K362 L366	K362-D364 VanDerWaalsContact C-N 3.3Å; K362-D364 PolarHBondContact O-N 2.92Å; D364-L366 PolarHBondContact O-N 3.13Å
365	N	28.2	Very low	28.9	Very low	159 Å²	159	151.3 Å²	151.3	85%	0.85	80%	0.802	S	S	*	*			trans	-55	99.9	-178.6	-60.7	-67.6	0	0	0	110.7	E367	N365-E367 PolarHBondContact O-N 3.23Å; N365-E367 VanDerWaalsContact O-N 3.12Å
366	L	28.5	Very low	29.1	Very low	169 Å²	169	152.5 Å²	152.5	89%	0.885	81%	0.806	S	S	*	*			trans	-76.9	94.7	165.3	-83.2	158.6	0	0	0	108.4	D364	D364-L366 PolarHBondContact O-N 3.13Å
367	E	25.9	Very low	29.4	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	81%	0.81	S	S	*	*			trans	-55.8	141.7	163.6	-109	-168	155.9	0	0	110.1	N365 T369	N365-E367 PolarHBondContact O-N 3.23Å; N365-E367 VanDerWaalsContact O-N 3.12Å; E367-T369 PolarHBondContact O-N 3.39Å
368	P	30.1	Very low	29.7	Very low	114 Å²	114	152 Å²	152	74%	0.74	81%	0.808	S	S	*	*			trans	-72.3	117.5	-168.7	16	-10.4	0	0	0	111.2	N370	P368-N370 PolarHBondContact O-N 3.09Å
369	T	27.4	Very low	29.8	Very low	128 Å²	128	156.8 Å²	156.8	79%	0.785	82%	0.816	S	S	*	*			trans	-61.8	109.7	173.5	-11.4	0	0	0	0	109.4	E367 I371	E367-T369 PolarHBondContact O-N 3.39Å; T369-I371 PolarHBondContact O-N 3.04Å
370	N	27.9	Very low	29.9	Very low	150 Å²	150	159.3 Å²	159.3	80%	0.802	82%	0.822	S	S	*	*			trans	-55.7	97.6	174.1	-80.7	-55	0	0	0	110.6	P368 I372	P368-N370 PolarHBondContact O-N 3.09Å; N370-I372 VanDerWaalsContact C-N 3.34Å; N370-I372 PolarHBondContact O-N 2.9Å
371	I	31.9	Very low	30.4	Very low	164 Å²	164	166 Å²	166	84%	0.841	83%	0.826	S	S	*	*			trans	-72.3	95.5	168.8	-60.9	170.9	0	0	0	106.9	T369 S373	T369-I371 PolarHBondContact O-N 3.04Å; I371-S373 PolarHBondContact O-N 3.41Å
372	I	28.8	Very low	30.7	Very low	149 Å²	149	169.7 Å²	169.7	76%	0.764	83%	0.827	S	S	*	*			trans	-57.1	104.5	176.6	-65	167.6	0	0	0	108.7	N370 K374	N370-I372 VanDerWaalsContact C-N 3.34Å; N370-I372 PolarHBondContact O-N 2.9Å; I372-K374 PolarHBondContact O-N 3.33Å; I372-K374 VanDerWaalsContact O-N 3.08Å
373	S	33.7	Very low	31.2	Very low	95 Å²	95	172.7 Å²	172.7	66%	0.664	83%	0.834	S	S	*	*			trans	-63.2	109.8	173.3	69.4	0	0	0	0	109	I371 R375	I371-S373 PolarHBondContact O-N 3.41Å; S373-R375 PolarHBondContact O-N 2.82Å
374	K	32.6	Very low	31.6	Very low	203 Å²	203	171.5 Å²	171.5	88%	0.883	83%	0.833	S	S	*	*			trans	-64	99.7	173.6	-69.7	179.7	179.5	175.2	0	108.9	I372 S376	I372-K374 PolarHBondContact O-N 3.33Å; I372-K374 VanDerWaalsContact O-N 3.08Å; K374-S376 PolarHBondContact O-N 2.94Å; K374-S376 VanDerWaalsContact O-N 3.11Å
375	R	30.4	Very low	31.8	Very low	232 Å²	232	176.6 Å²	176.6	88%	0.875	84%	0.842	S	S	*	*			trans	-60.2	111	171.5	-79.4	-178.3	174.9	179.1	-1.1	109.1	S373 K377	S373-R375 PolarHBondContact O-N 2.82Å; R375-K377 PolarHBondContact O-N 3.31Å
376	S	32.1	Very low	32.1	Very low	112 Å²	112	179.1 Å²	179.1	78%	0.783	85%	0.846	S	S	*	*			trans	-61.2	112.7	173.1	52.1	0	0	0	0	110.2	K374	K374-S376 PolarHBondContact O-N 2.94Å; K374-S376 VanDerWaalsContact O-N 3.11Å
377	K	35.3	Very low	32.3	Very low	200 Å²	200	183 Å²	183	87%	0.87	85%	0.849	S	S	*	*			trans	-63.8	128.9	173.5	-77.2	178.3	177.1	176	0	109.9	R375 R379	R375-K377 PolarHBondContact O-N 3.31Å; K377-R379 PolarHBondContact O-N 3.09Å
378	P	33.8	Very low	32.4	Very low	120 Å²	120	178.1 Å²	178.1	78%	0.779	85%	0.845	S	S	*	*			trans	-69.6	121.7	-179.1	26.4	-31.8	0	0	0	110.7	H380	P378-H380 PolarHBondContact O-N 2.69Å
379	R	32.8	Very low	32.5	Very low	243 Å²	243	177.9 Å²	177.9	92%	0.917	85%	0.846	S	S	*	*			trans	-78.6	111.7	-179.3	-141.4	175	-172.1	169.6	1.4	109.1	K377 R381	K377-R379 PolarHBondContact O-N 3.09Å; R379-R381 PolarHBondContact O-N 2.98Å; R379-R381 VanDerWaalsContact O-N 3.1Å
380	H	31.2	Very low	32.8	Very low	193 Å²	193	179.2 Å²	179.2	89%	0.894	85%	0.848	S	S	*	*			trans	-60.6	108	174.2	-91.5	-85.4	0	0	0	110.9	P378	P378-H380 PolarHBondContact O-N 2.69Å
381	R	38.6	Very low	32.8	Very low	243 Å²	243	178.4 Å²	178.4	92%	0.917	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-85	124.9	174.2	-108.5	178.9	170	172.6	-2.9	110.3	R379	R379-R381 PolarHBondContact O-N 2.98Å; R379-R381 VanDerWaalsContact O-N 3.1Å
382	K	34.2	Very low	32.9	Very low	204 Å²	204	177 Å²	177	89%	0.887	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-66.4	133.5	175.2	-85.9	179.4	172.3	177.8	0	111.1	N384	K382-N384 PolarHBondContact O-N 3.4Å
383	R	36.3	Very low	32.9	Very low	245 Å²	245	174.4 Å²	174.4	93%	0.925	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-61.9	119	174.9	-82.4	174.1	163.8	173.1	-5	110.8
384	N	35.6	Very low	32.7	Very low	166 Å²	166	178.1 Å²	178.1	89%	0.888	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-99.3	136.9	164.8	-90.3	-16.7	0	0	0	110.8	K382	K382-N384 PolarHBondContact O-N 3.4Å
385	R	31.8	Very low	32.5	Very low	246 Å²	246	175.5 Å²	175.5	93%	0.928	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-72.7	146.9	-169.9	-74.1	175.8	170.5	167	-3.7	112.5
386	K	34.5	Very low	32.4	Very low	212 Å²	212	170 Å²	170	92%	0.922	84%	0.843	S	S	*	*			trans	-44	125.5	174.6	-64.1	173.9	173.4	-177.7	0	112.2
387	R	33.7	Very low	32.2	Very low	251 Å²	251	170.5 Å²	170.5	95%	0.947	85%	0.847	S	S	*	*			trans	-116.5	137.8	157.7	-95.2	-171.4	178.9	-148.1	0.5	108.8
388	G	28.6	Very low	31.7	Very low	71 Å²	71	168 Å²	168	73%	0.732	84%	0.843	S	S	*	*			trans	-63.7	154.8	-161	0	0	0	0	0	115.9	N390	G388-N390 PolarHBondContact O-N 2.99Å
389	S	31.4	Very low	31.4	Very low	109 Å²	109	167.7 Å²	167.7	76%	0.762	84%	0.844	S	S	*	*			trans	-64.6	111.9	176.2	44	0	0	0	0	111.6	T391	S389-T391 PolarHBondContact O-N 3.42Å
390	N	33.6	Very low	31.2	Very low	156 Å²	156	165.8 Å²	165.8	83%	0.834	84%	0.838	S	S	*	*			trans	-80.6	107.9	160.8	-76.2	-10.1	0	0	0	107.9	G388 V392	G388-N390 PolarHBondContact O-N 2.99Å; N390-V392 PolarHBondContact O-N 3.19Å
391	T	29	Very low	31	Very low	132 Å²	132	163.9 Å²	163.9	81%	0.81	84%	0.835	S	S	*	*			trans	-66.7	108.6	170.9	33.3	0	0	0	0	109.3	S389 S393	S389-T391 PolarHBondContact O-N 3.42Å; T391-S393 PolarHBondContact O-N 3.01Å
392	V	32.2	Very low	30.5	Very low	135 Å²	135	157 Å²	157	82%	0.818	83%	0.83	S	S	*	*			trans	-78.1	107.3	168.4	176.1	0	0	0	0	106.8	N390 L394	N390-V392 PolarHBondContact O-N 3.19Å; V392-L394 PolarHBondContact O-N 3.5Å
393	S	28.7	Very low	30.4	Very low	94 Å²	94	152.3 Å²	152.3	66%	0.657	82%	0.818	S	S	*	*			trans	-71	115.1	174.8	49.4	0	0	0	0	110	T391 L395	T391-S393 PolarHBondContact O-N 3.01Å; S393-L395 PolarHBondContact O-N 3.35Å; S393-L395 VanDerWaalsContact O-N 3.11Å
394	L	31.3	Very low	30.1	Very low	173 Å²	173	145.3 Å²	145.3	91%	0.906	80%	0.799	S	S	*	*			trans	-71.1	95.5	166.8	-79.1	152.1	0	0	0	108.3	V392	V392-L394 PolarHBondContact O-N 3.5Å
395	L	28	Very low	30.3	Very low	148 Å²	148	143.1 Å²	143.1	78%	0.775	79%	0.794	S	S	*	*			trans	-74.1	136.2	166.3	-89.3	132.9	0	0	0	109.5	S393	S393-L395 PolarHBondContact O-N 3.35Å; S393-L395 VanDerWaalsContact O-N 3.11Å
396	P	27.7	Very low	30.3	Very low	116 Å²	116	137.2 Å²	137.2	75%	0.753	78%	0.781	S	S	*	*			trans	-73.1	144.9	-176.8	-9	25	0	0	0	112.2	N398	P396-N398 PolarHBondContact O-N 2.94Å; P396-N398 VanDerWaalsContact O-N 3.13Å
397	S	28.7	Very low	30.3	Very low	124 Å²	124	131.5 Å²	131.5	87%	0.867	76%	0.759	S	S	*	*			trans	-53.5	101.5	-177	-40.3	0	0	0	0	113.2	S399	S397-S399 PolarHBondContact O-N 3.05Å
398	N	24.4	Very low	30.5	Very low	146 Å²	146	122.3 Å²	122.3	78%	0.781	73%	0.734	S	S	*	*			trans	-70	123.1	161.2	-99.8	-15.9	0	0	0	109.2	P396 Y400	P396-N398 PolarHBondContact O-N 2.94Å; P396-N398 VanDerWaalsContact O-N 3.13Å; N398-Y400 PolarHBondContact O-N 3.22Å
399	S	27.2	Very low	31.1	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	73%	0.725	S	S	*	*			trans	-60.1	89.1	-179.3	56.1	0	0	0	0	111.7	S397	S397-S399 PolarHBondContact O-N 3.05Å
400	Y	27.8	Very low	31.4	Very low	203 Å²	203	125.9 Å²	125.9	80%	0.796	72%	0.717	S	S	*	*	S	Bend	trans	-117.8	99.8	159.5	-82.8	-80.9	0	0	0	108	N398 A402	N398-Y400 PolarHBondContact O-N 3.22Å; Y400-A402 VanDerWaalsContact C-N 3.3Å; Y400-A402 PolarHBondContact O-N 3.38Å
401	N	28	Very low	31.7	Very low	153 Å²	153	124.7 Å²	124.7	82%	0.818	70%	0.704	S	S	*	*			trans	20.6	67	164.3	-67	-25.6	0	0	0	114.3	T403	N401-T403 VanDerWaalsContact C-N 3.27Å; N401-T403 PolarHBondContact O-N 3.06Å; N401-T403 PolarHBondContact O-OG1 2.83Å
402	A	28.3	Very low	32.3	Very low	99 Å²	99	120.1 Å²	120.1	82%	0.818	67%	0.674	S	S	*	*			trans	-57.5	101.1	165.4	0	0	0	0	0	106	Y400 D404	Y400-A402 VanDerWaalsContact C-N 3.3Å; Y400-A402 PolarHBondContact O-N 3.38Å; A402-D404 PolarHBondContact O-N 2.86Å
403	T	32.7	Very low	32.8	Very low	105 Å²	105	117 Å²	117	64%	0.644	65%	0.653	S	S	*	*			trans	-71.9	93.8	-179.3	-53.1	0	0	0	0	105.2	N401 P405 I407	N401-T403 VanDerWaalsContact C-N 3.27Å; N401-T403 PolarHBondContact O-N 3.06Å; N401-T403 PolarHBondContact O-OG1 2.83Å; T403-P405 VanDerWaalsContact O-N 3.16Å; T403-I407 HydrophobicContact CG2-CD1 3.68Å
404	D	28.2	Very low	33.5	Very low	97 Å²	97	117.4 Å²	117.4	52%	0.519	65%	0.648	S	S	.	*			trans	-45	118	-178.2	-169.3	-15.2	0	0	0	109.3	A402 N406 I407	A402-D404 PolarHBondContact O-N 2.86Å; D404-N406 PolarHBondContact O-N 2.86Å; D404-N406 PolarHBondContact OD1-N 2.7Å; D404-N406 PolarHBondContact OD1-ND2 3.24Å; D404-I407 PolarHBondContact O-N 3.48Å
405	P	40.9	Very low	33.9	Very low	120 Å²	120	113.9 Å²	113.9	78%	0.779	63%	0.63	S	S	*	*	S	Bend	trans	-62.8	-0.4	-179	23.5	-31.3	0	0	0	113.3	T403 I407	T403-P405 VanDerWaalsContact O-N 3.16Å; P405-I407 VanDerWaalsContact C-N 3.27Å; P405-I407 PolarHBondContact O-N 3.16Å
406	N	30.6	Very low	34.2	Very low	122 Å²	122	111.6 Å²	111.6	65%	0.652	61%	0.611	S	S	*	*			trans	-85.5	38	165.2	-69.1	-47.3	0	0	0	114.2	D404 S408	D404-N406 PolarHBondContact O-N 2.86Å; D404-N406 PolarHBondContact OD1-N 2.7Å; D404-N406 PolarHBondContact OD1-ND2 3.24Å; N406-S408 PolarHBondContact O-N 2.86Å
407	I	35.4	Very low	34.8	Very low	92 Å²	92	112.6 Å²	112.6	47%	0.472	61%	0.606	S	S	.	*			trans	-64.9	84.8	158.4	-61.1	174.6	0	0	0	106.7	T403 D404 P405 K411 I412	T403-I407 HydrophobicContact CG2-CD1 3.68Å; D404-I407 PolarHBondContact O-N 3.48Å; P405-I407 VanDerWaalsContact C-N 3.27Å; P405-I407 PolarHBondContact O-N 3.16Å; I407-K411 HydrophobicContact CG2-CB 4.44Å; I407-I412 HydrophobicContact CG2-CD1 3.96Å; I407-I412 HydrophobicContact CG2-CG1 3.64Å
408	S	38.5	Very low	35.1	Very low	58 Å²	58	113.3 Å²	113.3	41%	0.406	59%	0.594	S	S	.	*			trans	-59.9	146.1	175	72.9	0	0	0	0	108.3	N406 N410 K411	N406-S408 PolarHBondContact O-N 2.86Å; S408-N410 PolarHBondContact O-N 3.41Å; S408-K411 PolarHBondContact O-N 3.3Å
409	R	40.6	Very low	35.7	Very low	146 Å²	146	109.2 Å²	109.2	55%	0.551	58%	0.576	S	S	*	*	H	α-helix	trans	-41.7	-36.5	178	-131.7	172.9	-177	165.9	0	112.6	I412 D413	R409-I412 PolarHBondContact O-N 3.22Å; R409-D413 PolarHBondContact O-N 2.88Å
410	N	38.1	Very low	36.1	Very low	110 Å²	110	106.7 Å²	106.7	59%	0.588	56%	0.555	S	S	*	*	H	α-helix	trans	-65.8	-40.9	-177	-57	1.9	0	0	0	113.1	S408 I412 D413 D414	S408-N410 PolarHBondContact O-N 3.41Å; N410-I412 PolarHBondContact O-N 3.15Å; N410-D413 PolarHBondContact O-N 2.81Å; N410-D413 VanDerWaalsContact O-N 3.12Å; N410-D414 PolarHBondContact O-N 3.31Å; N410-D414 VanDerWaalsContact O-N 3.17Å
411	K	39.1	Very low	36.3	Very low	131 Å²	131	100.5 Å²	100.5	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-66.3	-22.1	-179.8	-77.5	-173.8	176.9	177.5	0	113.1	I407 S408 N415	I407-K411 HydrophobicContact CG2-CB 4.44Å; S408-K411 PolarHBondContact O-N 3.3Å; K411-N415 PolarHBondContact O-N 3.16Å
412	I	42.5	Very low	36.8	Very low	36 Å²	36	99.9 Å²	99.9	19%	0.185	54%	0.538	C	S	.	.	H	α-helix	trans	-82.4	-33	176.8	-48.4	-179.2	0	0	0	110.5	R40 W130 I407 R409 N410 D414 N415 Y416	R40-I412 PolarHBondContact NH2-O 3.33Å; W130-I412 HydrophobicContact CH2-CD1 4.34Å; I407-I412 HydrophobicContact CG2-CD1 3.96Å; I407-I412 HydrophobicContact CG2-CG1 3.64Å; R409-I412 PolarHBondContact O-N 3.22Å; N410-I412 PolarHBondContact O-N 3.15Å; I412-D414 VanDerWaalsContact C-N 3.34Å; I412-N415 PolarHBondContact O-N 3.07Å; I412-Y416 WeakPolarHBondContact O-CB 3.21Å; I412-Y416 PolarHBondContact O-N 3.18Å
413	D	42.7	Very low	37.1	Very low	70 Å²	70	99.5 Å²	99.5	37%	0.374	53%	0.534	S	S	.	.	H	α-helix	trans	-64.1	-42.2	173.6	-69.2	-21.4	0	0	0	110.4	R40 R409 N410 N415 Y416 Q417	R40-D413 IonicContact CZ-OD1 3.65Å; R40-D413 VanDerWaalsContact CZ-OD1 3.28Å; R40-D413 IonicContact NH1-OD1 2.92Å; R40-D413 PolarHBondContact NH1-OD1 2.78Å; R40-D413 IonicContact NH2-OD1 3.39Å; R40-D413 PolarHBondContact NH2-OD1 2.96Å; R409-D413 PolarHBondContact O-N 2.88Å; N410-D413 PolarHBondContact O-N 2.81Å; N410-D413 VanDerWaalsContact O-N 3.12Å; D413-N415 PolarHBondContact O-N 3.44Å; D413-Y416 PolarHBondContact O-N 3.47Å; D413-Q417 PolarHBondContact O-N 3.05Å
414	D	42.8	Very low	37	Very low	101 Å²	101	104.6 Å²	104.6	54%	0.54	55%	0.551	S	S	.	*	H	α-helix	trans	-60.2	-45.1	175.8	-62.5	-25.5	0	0	0	112.5	N410 I412 Y416 K418	N410-D414 PolarHBondContact O-N 3.31Å; N410-D414 VanDerWaalsContact O-N 3.17Å; I412-D414 VanDerWaalsContact C-N 3.34Å; D414-Y416 VanDerWaalsContact C-N 3.34Å; D414-Y416 PolarHBondContact O-N 2.68Å; D414-K418 WeakPolarHBondContact O-CB 3.49Å; D414-K418 PolarHBondContact O-N 3.13Å
415	N	40.6	Very low	37.5	Very low	99 Å²	99	105 Å²	105	53%	0.529	55%	0.553	S	S	.	*	H	α-helix	trans	-67.1	-35.6	177.7	-98.1	-32.4	0	0	0	112.1	K411 I412 D413 C419	K411-N415 PolarHBondContact O-N 3.16Å; I412-N415 PolarHBondContact O-N 3.07Å; D413-N415 PolarHBondContact O-N 3.44Å; N415-C419 PolarHBondContact O-N 3.36Å; N415-C419 PolarHBondContact O-SG 3.48Å
416	Y	33.5	Very low	37.3	Very low	100 Å²	100	104.2 Å²	104.2	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-70.2	-46	178.8	-178.7	-101.4	0	0	0	112	W5 I412 D413 D414 K418 C419 V420	W5-Y416 HydrophobicContact CZ3-CE1 4.24Å; I412-Y416 WeakPolarHBondContact O-CB 3.21Å; I412-Y416 PolarHBondContact O-N 3.18Å; D413-Y416 PolarHBondContact O-N 3.47Å; D414-Y416 VanDerWaalsContact C-N 3.34Å; D414-Y416 PolarHBondContact O-N 2.68Å; Y416-K418 VanDerWaalsContact C-N 3.3Å; Y416-K418 PolarHBondContact O-N 3.21Å; Y416-C419 WeakPolarHBondContact O-CB 3.24Å; Y416-C419 PolarHBondContact O-N 3.39Å; Y416-C419 VanDerWaalsContact O-N 3.12Å; Y416-V420 HydrophobicContact CD1-CG2 4.27Å; Y416-V420 HydrophobicContact CE1-CG2 3.8Å; Y416-V420 HydrophobicContact CE2-CG2 4.31Å; Y416-V420 PolarHBondContact O-N 3.11Å
417	Q	39.6	Very low	37.7	Very low	137 Å²	137	103.2 Å²	103.2	64%	0.64	54%	0.535	S	S	*	.	H	α-helix	trans	-59.6	-43	175.1	-87.2	175.9	-21.7	0	0	111.2	D413 C419 V420 S421	D413-Q417 PolarHBondContact O-N 3.05Å; Q417-C419 VanDerWaalsContact C-N 3.28Å; Q417-C419 PolarHBondContact O-N 3.31Å; Q417-V420 PolarHBondContact O-N 3.28Å; Q417-S421 PolarHBondContact O-N 3.08Å; Q417-S421 PolarHBondContact O-OG 3.19Å
418	K	35	Very low	37.8	Very low	140 Å²	140	103.9 Å²	103.9	61%	0.609	54%	0.538	S	S	*	.	H	α-helix	trans	-60.2	-37	175.5	-161.9	172	-173.8	173.3	0	112.7	D414 Y416 S421 L422	D414-K418 WeakPolarHBondContact O-CB 3.49Å; D414-K418 PolarHBondContact O-N 3.13Å; Y416-K418 VanDerWaalsContact C-N 3.3Å; Y416-K418 PolarHBondContact O-N 3.21Å; K418-S421 WeakPolarHBondContact CA-OG 3.28Å; K418-S421 PolarHBondContact O-OG 3.41Å; K418-L422 WeakPolarHBondContact O-CG 3.2Å; K418-L422 PolarHBondContact O-N 2.96Å
419	C	37.8	Very low	37.8	Very low	60 Å²	60	106.8 Å²	106.8	41%	0.405	55%	0.547	S	S	.	.	H	α-helix	trans	-69.6	-38.6	175.2	-71.9	0	0	0	0	113.1	N415 Y416 Q417 L422 A423	N415-C419 PolarHBondContact O-N 3.36Å; N415-C419 PolarHBondContact O-SG 3.48Å; Y416-C419 WeakPolarHBondContact O-CB 3.24Å; Y416-C419 PolarHBondContact O-N 3.39Å; Y416-C419 VanDerWaalsContact O-N 3.12Å; Q417-C419 VanDerWaalsContact C-N 3.28Å; Q417-C419 PolarHBondContact O-N 3.31Å; C419-L422 PolarHBondContact O-N 3.28Å; C419-A423 PolarHBondContact O-N 3.02Å
420	V	34.8	Very low	37.6	Very low	62 Å²	62	104.1 Å²	104.1	38%	0.376	55%	0.546	S	S	.	.	H	α-helix	trans	-66.5	-40.6	177.1	174.7	0	0	0	0	110.7	Y416 Q417 L422 A423 Q424	Y416-V420 HydrophobicContact CD1-CG2 4.27Å; Y416-V420 HydrophobicContact CE1-CG2 3.8Å; Y416-V420 HydrophobicContact CE2-CG2 4.31Å; Y416-V420 PolarHBondContact O-N 3.11Å; Q417-V420 PolarHBondContact O-N 3.28Å; V420-L422 PolarHBondContact O-N 2.9Å; V420-A423 PolarHBondContact O-N 3.17Å; V420-A423 VanDerWaalsContact O-N 3.15Å; V420-Q424 PolarHBondContact O-N 2.97Å
421	S	33.3	Very low	37.5	Very low	73 Å²	73	103.7 Å²	103.7	51%	0.51	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.1	175.5	47	0	0	0	0	114.6	Q417 K418	Q417-S421 PolarHBondContact O-N 3.08Å; Q417-S421 PolarHBondContact O-OG 3.19Å; K418-S421 WeakPolarHBondContact CA-OG 3.28Å; K418-S421 PolarHBondContact O-OG 3.41Å
422	L	37.3	Very low	37.4	Very low	139 Å²	139	101.6 Å²	101.6	73%	0.728	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.7	173	-80.7	166	0	0	0	112.9	K418 C419 V420	K418-L422 WeakPolarHBondContact O-CG 3.2Å; K418-L422 PolarHBondContact O-N 2.96Å; C419-L422 PolarHBondContact O-N 3.28Å; V420-L422 PolarHBondContact O-N 2.9Å
423	A	36.2	Very low	37	Very low	91 Å²	91	107.1 Å²	107.1	75%	0.752	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-10	-179.9	0	0	0	0	0	113.3	C419 V420	C419-A423 PolarHBondContact O-N 3.02Å; V420-A423 PolarHBondContact O-N 3.17Å; V420-A423 VanDerWaalsContact O-N 3.15Å
424	Q	30.4	Very low	36.5	Very low	213 Å²	213	110.5 Å²	110.5	100%	0.995	59%	0.589	S	S	*	*			trans	-89.6	0	162	-69.4	-179	-19.4	0	0	108.6	V420	V420-Q424 PolarHBondContact O-N 2.97Å

Retrieved 424 of 424 residues in 665.9 ms (Link to these results)

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