A0A077ZL45_TRITR Loading...

GAF 3 and Sigma54 activat and HTH 8 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZL45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 692 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	35.9	Very low	42.4	Very low	231 Å²	231	125.5 Å²	125.5	100%	1.138	69%	0.689	S	S	*	*				0	115.2	0	-70.5	180	-178.1	0	0	108.1
2	S	32.9	Very low	43.5	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	69%	0.694	S	S	*	*			trans	-66.8	126.5	170.2	42.3	0	0	0	0	109.1	T4	S2-T4 VanDerWaalsContact C-N 3.34Å; S2-T4 PolarHBondContact O-N 3.42Å
3	Y	31.8	Very low	45.8	Very low	237 Å²	237	120.7 Å²	120.7	93%	0.929	66%	0.662	S	S	*	*			trans	-71.5	90.1	171.7	-122.2	-92.3	0	0	0	107.9
4	T	35.9	Very low	48.1	Very low	86 Å²	86	113.5 Å²	113.5	53%	0.528	62%	0.622	S	S	.	*			trans	-77.4	125.7	175.7	-38.2	0	0	0	0	108.5	S2 M6	S2-T4 VanDerWaalsContact C-N 3.34Å; S2-T4 PolarHBondContact O-N 3.42Å; T4-M6 PolarHBondContact O-N 2.63Å
5	P	35.5	Very low	50.1	Low	109 Å²	109	115 Å²	115	71%	0.708	62%	0.62	S	S	*	*			trans	-67.8	129.7	-173.8	-14.5	27.7	0	0	0	112.4	S7	P5-S7 VanDerWaalsContact C-N 3.34Å; P5-S7 PolarHBondContact O-N 2.92Å
6	M	39.4	Very low	52.2	Low	151 Å²	151	113.2 Å²	113.2	74%	0.744	61%	0.61	S	S	*	*			trans	-66.2	76.1	174.1	-71.3	-177.8	171.4	0	0	112.3	T4 L14	T4-M6 PolarHBondContact O-N 2.63Å; M6-L14 HydrophobicContact CE-CD1 4.06Å; M6-L14 HydrophobicContact CG-CD1 4.22Å; M6-L14 HydrophobicContact SD-CD1 3.68Å
7	S	43	Very low	54.2	Low	103 Å²	103	107.5 Å²	107.5	72%	0.72	58%	0.579	S	S	*	*			trans	-103.5	2	-172.1	78.2	0	0	0	0	117	P5	P5-S7 VanDerWaalsContact C-N 3.34Å; P5-S7 PolarHBondContact O-N 2.92Å
8	D	48	Very low	56	Low	80 Å²	80	104.1 Å²	104.1	43%	0.428	56%	0.563	S	S	.	*	S	Bend	trans	-135.7	-11.7	-167.3	-125.1	45.4	0	0	0	116.7	K148 R152	D8-K148 IonicContact OD1-NZ 3.73Å; D8-K148 WeakPolarHBondContact OD2-CE 3.24Å; D8-K148 IonicContact OD2-NZ 2.63Å; D8-K148 PolarHBondContact OD2-NZ 2.85Å; D8-R152 IonicContact OD2-CZ 3.81Å; D8-R152 IonicContact OD2-NH2 2.72Å; D8-R152 PolarHBondContact OD2-NH2 2.98Å
9	L	51.5	Low	57.6	Low	46 Å²	46	106.2 Å²	106.2	24%	0.241	56%	0.562	C	S	.	*	S	Bend	trans	-108.6	105.5	158.8	-75.3	147.3	0	0	0	103.8	Q11 L14 I17	L9-Q11 PolarHBondContact O-N 2.74Å; L9-L14 HydrophobicContact CB-CD1 4.28Å; L9-L14 HydrophobicContact CB-CG 3.87Å; L9-L14 HydrophobicContact CD1-CD2 4.1Å; L9-L14 HydrophobicContact CD1-CG 4.36Å; L9-I17 HydrophobicContact CD2-CD1 3.95Å
10	G	56.2	Low	59.2	Low	56 Å²	56	103.7 Å²	103.7	58%	0.577	55%	0.551	S	S	*	*			trans	-49	147.5	176.3	0	0	0	0	0	110.1	Q12 G13 L14	G10-Q12 CarbonylContact O-C 3.56Å; G10-Q12 PolarHBondContact O-N 2.72Å; G10-G13 PolarHBondContact O-N 3.5Å; G10-L14 PolarHBondContact O-N 3.45Å
11	Q	56.8	Low	60.6	Low	176 Å²	176	98.7 Å²	98.7	82%	0.822	52%	0.524	S	S	*	.	H	α-helix	trans	-46.3	-33.1	-175.4	-74.2	178.5	-15.8	0	0	113.6	L9 F15	L9-Q11 PolarHBondContact O-N 2.74Å; Q11-F15 WeakPolarHBondContact O-CB 3.46Å; Q11-F15 PolarHBondContact O-N 2.89Å
12	Q	55	Low	63.1	Low	162 Å²	162	90.6 Å²	90.6	76%	0.757	49%	0.485	S	S	*	.	H	α-helix	trans	-62	-43.1	172.9	-74.7	179.1	-24.7	0	0	113.8	G10 F15 D16	G10-Q12 CarbonylContact O-C 3.56Å; G10-Q12 PolarHBondContact O-N 2.72Å; Q12-F15 WeakPolarHBondContact O-CB 3.47Å; Q12-F15 PolarHBondContact O-N 3.17Å; Q12-D16 PolarHBondContact O-N 3Å
13	G	74.2	Confident	65.7	Low	26 Å²	26	91.6 Å²	91.6	27%	0.268	48%	0.478	S	S	.	.	H	α-helix	trans	-67.9	-38.9	-179.1	0	0	0	0	0	113.5	G10 D16 I17	G10-G13 PolarHBondContact O-N 3.5Å; G13-D16 PolarHBondContact O-N 3.06Å; G13-I17 WeakPolarHBondContact O-CB 3.27Å; G13-I17 WeakPolarHBondContact O-CD1 3.49Å; G13-I17 VanDerWaalsContact O-CG1 3.24Å; G13-I17 WeakPolarHBondContact O-CG1 3.44Å; G13-I17 PolarHBondContact O-N 3.01Å
14	L	76.9	Confident	68.4	Low	20 Å²	20	82 Å²	82	11%	0.105	44%	0.442	C	S	.	.	H	α-helix	trans	-66.4	-39.2	173.1	-82.4	165.5	0	0	0	112	M6 L9 G10 T18 T155 I159	M6-L14 HydrophobicContact CE-CD1 4.06Å; M6-L14 HydrophobicContact CG-CD1 4.22Å; M6-L14 HydrophobicContact SD-CD1 3.68Å; L9-L14 HydrophobicContact CB-CD1 4.28Å; L9-L14 HydrophobicContact CB-CG 3.87Å; L9-L14 HydrophobicContact CD1-CD2 4.1Å; L9-L14 HydrophobicContact CD1-CG 4.36Å; G10-L14 PolarHBondContact O-N 3.45Å; L14-T18 WeakPolarHBondContact O-CB 2.93Å; L14-T18 PolarHBondContact O-N 3.4Å; L14-T18 PolarHBondContact O-OG1 3.24Å; L14-T155 HydrophobicContact CD2-CG2 3.6Å; L14-I159 HydrophobicContact CD2-CD1 4.33Å
15	F	78.9	Confident	70.6	Confident	136 Å²	136	82.4 Å²	82.4	60%	0.596	45%	0.446	S	S	*	.	H	α-helix	trans	-62	-45.1	175.7	-176.9	-95.5	0	0	0	111.8	Q11 Q12 T18 R19	Q11-F15 WeakPolarHBondContact O-CB 3.46Å; Q11-F15 PolarHBondContact O-N 2.89Å; Q12-F15 WeakPolarHBondContact O-CB 3.47Å; Q12-F15 PolarHBondContact O-N 3.17Å; F15-T18 PolarHBondContact O-N 2.75Å; F15-R19 WeakPolarHBondContact O-CB 3.47Å; F15-R19 PolarHBondContact O-N 3.44Å
16	D	83.8	Confident	73	Confident	86 Å²	86	80.3 Å²	80.3	46%	0.46	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-44.1	178.6	-70.5	-25.7	0	0	0	111.9	Q12 G13 T18 R19 T20	Q12-D16 PolarHBondContact O-N 3Å; G13-D16 PolarHBondContact O-N 3.06Å; D16-T18 PolarHBondContact O-N 3.04Å; D16-R19 PolarHBondContact O-N 2.85Å; D16-T20 PolarHBondContact O-N 2.94Å; D16-T20 PolarHBondContact O-OG1 2.93Å
17	I	85.5	Confident	75.3	Confident	16 Å²	16	73.9 Å²	73.9	8%	0.082	40%	0.397	C	S	.	.	H	α-helix	trans	-57.3	-49.8	174.2	-72.4	164.5	0	0	0	110.7	L9 G13 R19 T20 L21 L37 F156 I159	L9-I17 HydrophobicContact CD2-CD1 3.95Å; G13-I17 WeakPolarHBondContact O-CB 3.27Å; G13-I17 WeakPolarHBondContact O-CD1 3.49Å; G13-I17 VanDerWaalsContact O-CG1 3.24Å; G13-I17 WeakPolarHBondContact O-CG1 3.44Å; G13-I17 PolarHBondContact O-N 3.01Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 2.68Å; I17-T20 PolarHBondContact O-N 3.18Å; I17-L21 HydrophobicContact CG2-CD1 3.95Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.05Å; I17-L37 HydrophobicContact CG1-CD2 4.31Å; I17-L37 HydrophobicContact CG2-CD1 4.24Å; I17-F156 HydrophobicContact CD1-CE1 4.17Å; I17-F156 HydrophobicContact CD1-CZ 3.84Å; I17-F156 HydrophobicContact CG1-CE1 4.46Å; I17-F156 HydrophobicContact CG2-CD1 4.14Å; I17-F156 HydrophobicContact CG2-CE1 3.64Å; I17-F156 HydrophobicContact CG2-CZ 4.39Å; I17-I159 HydrophobicContact CG2-CD1 4.15Å
18	T	86.4	Confident	77.4	Confident	46 Å²	46	69.4 Å²	69.4	28%	0.282	37%	0.367	S	S	.	.	H	α-helix	trans	-60	-43.8	-179.6	-54.8	0	0	0	0	110.6	L14 F15 D16 L21 L22 I159	L14-T18 WeakPolarHBondContact O-CB 2.93Å; L14-T18 PolarHBondContact O-N 3.4Å; L14-T18 PolarHBondContact O-OG1 3.24Å; F15-T18 PolarHBondContact O-N 2.75Å; D16-T18 PolarHBondContact O-N 3.04Å; T18-L21 PolarHBondContact O-N 3.3Å; T18-L22 HydrophobicContact CG2-CD1 3.82Å; T18-L22 HydrophobicContact CG2-CG 4.36Å; T18-L22 WeakPolarHBondContact O-CB 3.47Å; T18-L22 VanDerWaalsContact O-CG 3.27Å; T18-L22 WeakPolarHBondContact O-CG 3.44Å; T18-L22 PolarHBondContact O-N 3.04Å; T18-I159 HydrophobicContact CG2-CG2 4.18Å
19	R	86.7	Confident	79.3	Confident	144 Å²	144	66.9 Å²	66.9	54%	0.543	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-44.1	177	-173.7	-179.5	-178.7	-179.6	2.5	112.3	F15 D16 I17 L22 Q23	F15-R19 WeakPolarHBondContact O-CB 3.47Å; F15-R19 PolarHBondContact O-N 3.44Å; D16-R19 PolarHBondContact O-N 2.85Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 2.68Å; R19-L22 PolarHBondContact O-N 3.18Å; R19-Q23 VanDerWaalsContact O-CG 3.27Å; R19-Q23 WeakPolarHBondContact O-CG 3.47Å; R19-Q23 PolarHBondContact O-N 2.79Å
20	T	88.7	Confident	81.2	Confident	56 Å²	56	64.7 Å²	64.7	34%	0.344	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-42.9	178	-60.1	0	0	0	0	111.6	D16 I17 Q24	D16-T20 PolarHBondContact O-N 2.94Å; D16-T20 PolarHBondContact O-OG1 2.93Å; I17-T20 PolarHBondContact O-N 3.18Å; T20-Q24 PolarHBondContact O-NE2 2.8Å
21	L	90.4	Very high	82.9	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.2	-41.9	179.3	-66.4	173.9	0	0	0	111.8	I17 T18 Q23 Q24 L30 A33 L34 L37 I159 V160 V163	I17-L21 HydrophobicContact CG2-CD1 3.95Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.05Å; T18-L21 PolarHBondContact O-N 3.3Å; L21-Q23 PolarHBondContact O-N 3.32Å; L21-Q24 VanDerWaalsContact O-CG 3.31Å; L21-Q24 WeakPolarHBondContact O-CG 3.36Å; L21-Q24 PolarHBondContact O-N 3.5Å; L21-L30 HydrophobicContact CB-CD1 4.08Å; L21-L30 HydrophobicContact CD2-CD1 3.72Å; L21-L30 HydrophobicContact CG-CD1 4.46Å; L21-A33 HydrophobicContact CD2-CB 4.27Å; L21-L34 HydrophobicContact CD2-CB 4.28Å; L21-L37 HydrophobicContact CD1-CD1 4.44Å; L21-L37 HydrophobicContact CD2-CD1 3.86Å; L21-L37 HydrophobicContact CG-CD1 4Å; L21-I159 HydrophobicContact CB-CG2 4.37Å; L21-I159 HydrophobicContact CD1-CB 4.36Å; L21-I159 HydrophobicContact CD1-CG2 3.66Å; L21-V160 HydrophobicContact CD1-CG2 4.21Å; L21-V163 HydrophobicContact CB-CG2 4.04Å; L21-V163 VanDerWaalsContact O-CG1 3.29Å; L21-V163 WeakPolarHBondContact O-CG1 3.49Å
22	L	87.1	Confident	84.5	Confident	61 Å²	61	57.2 Å²	57.2	32%	0.319	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-21.2	178.1	-76.9	170.9	0	0	0	114.4	T18 R19 Q24 V163	T18-L22 HydrophobicContact CG2-CD1 3.82Å; T18-L22 HydrophobicContact CG2-CG 4.36Å; T18-L22 WeakPolarHBondContact O-CB 3.47Å; T18-L22 VanDerWaalsContact O-CG 3.27Å; T18-L22 WeakPolarHBondContact O-CG 3.44Å; T18-L22 PolarHBondContact O-N 3.04Å; R19-L22 PolarHBondContact O-N 3.18Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-V163 HydrophobicContact CD2-CG2 3.66Å; L22-V163 HydrophobicContact CG-CG2 3.93Å
23	Q	88.8	Confident	86.3	Confident	126 Å²	126	50 Å²	50	59%	0.589	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.4	-179.7	-76.9	177.8	-16.4	0	0	113.9	R19 L21	R19-Q23 VanDerWaalsContact O-CG 3.27Å; R19-Q23 WeakPolarHBondContact O-CG 3.47Å; R19-Q23 PolarHBondContact O-N 2.79Å; L21-Q23 PolarHBondContact O-N 3.32Å
24	Q	88	Confident	87.2	Confident	37 Å²	37	48.7 Å²	48.7	17%	0.173	25%	0.249	C	C	.	.			trans	-73.8	134.1	-175.8	-56.2	-54.9	-38.7	0	0	111.2	T20 L21 L22 S29 L30 A33	T20-Q24 PolarHBondContact O-NE2 2.8Å; L21-Q24 VanDerWaalsContact O-CG 3.31Å; L21-Q24 WeakPolarHBondContact O-CG 3.36Å; L21-Q24 PolarHBondContact O-N 3.5Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; Q24-S29 PolarHBondContact OE1-O 3.08Å; Q24-L30 HydrophobicContact CB-CB 4.17Å; Q24-L30 HydrophobicContact CB-CD1 4.46Å; Q24-L30 HydrophobicContact CG-CD1 4.28Å; Q24-A33 HydrophobicContact CG-CB 3.97Å
25	P	82.3	Confident	88	Confident	93 Å²	93	48.2 Å²	48.2	60%	0.604	25%	0.247	S	C	*	.	S	Bend	trans	-74.7	-31.9	-174.5	28.8	-35.8	0	0	0	113.2
26	D	84.7	Confident	88.6	Confident	66 Å²	66	46 Å²	46	35%	0.353	24%	0.239	S	C	.	.	S	Bend	trans	-146.4	172.6	-176.1	63.3	62.2	0	0	0	111.7	A28 S29 L30	D26-A28 VanDerWaalsContact C-N 3.28Å; D26-A28 PolarHBondContact O-N 2.96Å; D26-A28 WeakPolarHBondContact OD1-CA 3.16Å; D26-A28 WeakPolarHBondContact OD1-CB 3.41Å; D26-A28 PolarHBondContact OD1-N 3.32Å; D26-S29 PolarHBondContact O-N 3.19Å; D26-S29 PolarHBondContact OD1-N 3.32Å; D26-S29 PolarHBondContact OD1-OG 3.03Å; D26-L30 WeakPolarHBondContact O-CB 3.34Å; D26-L30 PolarHBondContact O-N 3.43Å
27	L	89.2	Confident	88.9	Confident	15 Å²	15	43 Å²	43	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-26.7	-176.8	-66.4	172.9	0	0	0	113.4	L30 C31 L51 Y62 T164 I167	L27-L30 HydrophobicContact CD2-CD2 4.26Å; L27-L30 WeakPolarHBondContact O-CB 3.45Å; L27-C31 PolarHBondContact O-N 3.31Å; L27-C31 PolarHBondContact O-SG 3.48Å; L27-L51 HydrophobicContact CD1-CD1 3.46Å; L27-L51 VanDerWaalsContact CD1-CD1 3.46Å; L27-Y62 HydrophobicContact CB-CD1 3.57Å; L27-Y62 HydrophobicContact CB-CD2 4.43Å; L27-Y62 HydrophobicContact CB-CE1 3.88Å; L27-Y62 HydrophobicContact CB-CG 3.87Å; L27-Y62 HydrophobicContact CD1-CD1 4.14Å; L27-Y62 HydrophobicContact CD1-CD2 4.09Å; L27-Y62 HydrophobicContact CD1-CE1 3.71Å; L27-Y62 HydrophobicContact CD1-CE2 3.69Å; L27-Y62 HydrophobicContact CD1-CG 4.3Å; L27-Y62 VanDerWaalsContact CD1-CZ 3.46Å; L27-Y62 HydrophobicContact CG-CE1 4.43Å; L27-T164 HydrophobicContact CD2-CG2 3.78Å; L27-I167 HydrophobicContact CD2-CB 4.29Å; L27-I167 HydrophobicContact CD2-CG2 4.06Å; L27-I167 HydrophobicContact CG-CG2 4Å
28	A	86	Confident	89.2	Confident	10 Å²	10	42.3 Å²	42.3	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-77.3	-43.5	179	0	0	0	0	0	111.5	D26 L30 C31 E32 P70	D26-A28 VanDerWaalsContact C-N 3.28Å; D26-A28 PolarHBondContact O-N 2.96Å; D26-A28 WeakPolarHBondContact OD1-CA 3.16Å; D26-A28 WeakPolarHBondContact OD1-CB 3.41Å; D26-A28 PolarHBondContact OD1-N 3.32Å; A28-L30 PolarHBondContact O-N 3.39Å; A28-C31 PolarHBondContact O-N 3.16Å; A28-E32 PolarHBondContact O-N 2.72Å; A28-P70 HydrophobicContact CB-CB 3.4Å; A28-P70 VanDerWaalsContact CB-CB 3.4Å; A28-P70 HydrophobicContact CB-CG 3.69Å
29	S	87.6	Confident	89.5	Confident	27 Å²	27	46.1 Å²	46.1	19%	0.189	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-35.9	169.5	-60.7	0	0	0	0	111.3	Q24 D26 E32 A33	Q24-S29 PolarHBondContact OE1-O 3.08Å; D26-S29 PolarHBondContact O-N 3.19Å; D26-S29 PolarHBondContact OD1-N 3.32Å; D26-S29 PolarHBondContact OD1-OG 3.03Å; S29-E32 PolarHBondContact O-N 3.14Å; S29-A33 WeakPolarHBondContact O-CB 3.37Å; S29-A33 PolarHBondContact O-N 2.85Å
30	L	92.1	Very high	89.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-48.9	172.3	-178.6	61.6	0	0	0	112	L21 Q24 D26 L27 A28 E32 A33 L34 I49 V160 V163 T164 I167	L21-L30 HydrophobicContact CB-CD1 4.08Å; L21-L30 HydrophobicContact CD2-CD1 3.72Å; L21-L30 HydrophobicContact CG-CD1 4.46Å; Q24-L30 HydrophobicContact CB-CB 4.17Å; Q24-L30 HydrophobicContact CB-CD1 4.46Å; Q24-L30 HydrophobicContact CG-CD1 4.28Å; D26-L30 WeakPolarHBondContact O-CB 3.34Å; D26-L30 PolarHBondContact O-N 3.43Å; L27-L30 HydrophobicContact CD2-CD2 4.26Å; L27-L30 WeakPolarHBondContact O-CB 3.45Å; A28-L30 PolarHBondContact O-N 3.39Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 3.23Å; L30-A33 PolarHBondContact O-N 2.88Å; L30-L34 VanDerWaalsContact O-CB 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 3.12Å; L30-I49 HydrophobicContact CD2-CD1 3.58Å; L30-I49 HydrophobicContact CG-CD1 3.94Å; L30-V160 HydrophobicContact CD2-CG1 4.39Å; L30-V163 HydrophobicContact CD1-CB 4.36Å; L30-V163 HydrophobicContact CD1-CG1 3.75Å; L30-V163 HydrophobicContact CD2-CB 4.37Å; L30-V163 HydrophobicContact CD2-CG1 3.99Å; L30-T164 WeakPolarHBondContact CD2-OG1 3.36Å; L30-I167 HydrophobicContact CB-CD1 4.18Å; L30-I167 HydrophobicContact CD2-CD1 4.04Å
31	C	92.5	Very high	89.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-40.8	176.6	-69.9	0	0	0	0	112.1	L27 A28 L34 S35 I49 Y62	L27-C31 PolarHBondContact O-N 3.31Å; L27-C31 PolarHBondContact O-SG 3.48Å; A28-C31 PolarHBondContact O-N 3.16Å; C31-L34 PolarHBondContact O-N 2.93Å; C31-S35 WeakPolarHBondContact O-CB 3.24Å; C31-S35 PolarHBondContact O-N 3.1Å; C31-S35 PolarHBondContact O-OG 3.47Å; C31-S35 VanDerWaalsContact O-OG 3.07Å; C31-I49 VanDerWaalsContact SG-CG1 3.57Å; C31-Y62 PolarHBondContact SG-O 3.22Å
32	E	90.4	Very high	89.5	Confident	74 Å²	74	51.3 Å²	51.3	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-50	176.8	-175.2	-179.9	168.6	0	0	112.2	A28 S29 L30 L34 S35 Q36	A28-E32 PolarHBondContact O-N 2.72Å; S29-E32 PolarHBondContact O-N 3.14Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 3.23Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.35Å; E32-S35 PolarHBondContact O-N 3.24Å; E32-Q36 WeakPolarHBondContact O-CG 3.5Å; E32-Q36 PolarHBondContact O-N 3.04Å; E32-Q36 PolarHBondContact OE1-NE2 3.47Å
33	A	91.2	Very high	89.8	Confident	10 Å²	10	48.5 Å²	48.5	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-41.9	177.3	0	0	0	0	0	111.3	L21 Q24 S29 L30 Q36 L37	L21-A33 HydrophobicContact CD2-CB 4.27Å; Q24-A33 HydrophobicContact CG-CB 3.97Å; S29-A33 WeakPolarHBondContact O-CB 3.37Å; S29-A33 PolarHBondContact O-N 2.85Å; L30-A33 PolarHBondContact O-N 2.88Å; A33-Q36 PolarHBondContact O-N 3.09Å; A33-L37 WeakPolarHBondContact O-CB 3.21Å; A33-L37 VanDerWaalsContact O-CG 3.25Å; A33-L37 WeakPolarHBondContact O-CG 3.17Å; A33-L37 PolarHBondContact O-N 2.87Å
34	L	94.1	Very high	90	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-49.1	175.9	-178.2	63.5	0	0	0	111.5	L21 L30 C31 E32 Q36 L37 V38 A47 C135 F137 F156 V160	L21-L34 HydrophobicContact CD2-CB 4.28Å; L30-L34 VanDerWaalsContact O-CB 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 3.12Å; C31-L34 PolarHBondContact O-N 2.93Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.35Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 2.83Å; L34-L37 PolarHBondContact O-N 2.9Å; L34-L37 VanDerWaalsContact O-N 3.11Å; L34-V38 HydrophobicContact CD1-CG1 4.19Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 2.72Å; L34-A47 HydrophobicContact CB-CB 4.35Å; L34-A47 HydrophobicContact CD2-CB 3.66Å; L34-A47 HydrophobicContact CG-CB 3.65Å; L34-C135 VanDerWaalsContact CD2-SG 3.58Å; L34-F137 HydrophobicContact CD1-CE1 4.47Å; L34-F137 HydrophobicContact CD2-CE1 4.32Å; L34-F137 HydrophobicContact CG-CE1 4.46Å; L34-F156 HydrophobicContact CD1-CB 4.28Å; L34-F156 HydrophobicContact CD1-CD1 3.78Å; L34-F156 HydrophobicContact CD1-CG 4.36Å; L34-V160 HydrophobicContact CD1-CG2 3.72Å; L34-V160 HydrophobicContact CD2-CG1 4.49Å; L34-V160 HydrophobicContact CD2-CG2 3.76Å; L34-V160 HydrophobicContact CG-CG2 4.3Å
35	S	92.7	Very high	90.3	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-55.8	-44.4	176.5	-71.5	0	0	0	0	111.8	C31 E32 L37 V38 K39 N46 A47	C31-S35 WeakPolarHBondContact O-CB 3.24Å; C31-S35 PolarHBondContact O-N 3.1Å; C31-S35 PolarHBondContact O-OG 3.47Å; C31-S35 VanDerWaalsContact O-OG 3.07Å; E32-S35 PolarHBondContact O-N 3.24Å; S35-L37 PolarHBondContact O-N 3.43Å; S35-V38 WeakPolarHBondContact O-CG2 3.25Å; S35-K39 WeakPolarHBondContact O-CB 3.38Å; S35-K39 PolarHBondContact O-N 2.95Å; S35-N46 PolarHBondContact OG-OD1 3.29Å; S35-A47 PolarHBondContact OG-N 2.93Å; S35-A47 PolarHBondContact OG-O 2.95Å; S35-A47 VanDerWaalsContact OG-O 3.07Å
36	Q	91.4	Very high	90.7	Very high	88 Å²	88	40.2 Å²	40.2	41%	0.411	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-40.9	176.5	-69.3	-178.7	15.3	0	0	112.4	E32 A33 L34 R40	E32-Q36 WeakPolarHBondContact O-CG 3.5Å; E32-Q36 PolarHBondContact O-N 3.04Å; E32-Q36 PolarHBondContact OE1-NE2 3.47Å; A33-Q36 PolarHBondContact O-N 3.09Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 2.83Å; Q36-R40 WeakPolarHBondContact O-CB 3.25Å; Q36-R40 VanDerWaalsContact O-CG 3.25Å; Q36-R40 WeakPolarHBondContact O-CG 3.5Å; Q36-R40 PolarHBondContact O-N 2.94Å
37	L	91.4	Very high	91.2	Very high	25 Å²	25	37.1 Å²	37.1	13%	0.131	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-43.8	-179.5	-73.6	168.7	0	0	0	112.6	I17 L21 A33 L34 S35 S41 F156	I17-L37 HydrophobicContact CG1-CD2 4.31Å; I17-L37 HydrophobicContact CG2-CD1 4.24Å; L21-L37 HydrophobicContact CD1-CD1 4.44Å; L21-L37 HydrophobicContact CD2-CD1 3.86Å; L21-L37 HydrophobicContact CG-CD1 4Å; A33-L37 WeakPolarHBondContact O-CB 3.21Å; A33-L37 VanDerWaalsContact O-CG 3.25Å; A33-L37 WeakPolarHBondContact O-CG 3.17Å; A33-L37 PolarHBondContact O-N 2.87Å; L34-L37 PolarHBondContact O-N 2.9Å; L34-L37 VanDerWaalsContact O-N 3.11Å; S35-L37 PolarHBondContact O-N 3.43Å; L37-S41 WeakPolarHBondContact O-CB 3.19Å; L37-S41 PolarHBondContact O-N 3.27Å; L37-S41 PolarHBondContact O-OG 2.92Å; L37-F156 HydrophobicContact CB-CE1 3.84Å; L37-F156 HydrophobicContact CB-CZ 4.29Å; L37-F156 HydrophobicContact CD1-CE1 4.3Å
38	V	92.3	Very high	91.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-34.8	177.7	-61.7	0	0	0	0	111.8	L34 S35 S41 A42 L43 A44 A47 F137 L153 F156	L34-V38 HydrophobicContact CD1-CG1 4.19Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 2.72Å; S35-V38 WeakPolarHBondContact O-CG2 3.25Å; V38-S41 CarbonylContact O-C 3.5Å; V38-S41 PolarHBondContact O-N 2.95Å; V38-A42 PolarHBondContact O-N 3.4Å; V38-L43 HydrophobicContact CB-CB 4.25Å; V38-L43 PolarHBondContact O-N 2.87Å; V38-A44 CarbonylContact C-O 3.49Å; V38-A44 HydrophobicContact CB-CB 4.24Å; V38-A44 HydrophobicContact CG2-CB 3.95Å; V38-A44 PolarHBondContact O-N 3.02Å; V38-A47 HydrophobicContact CG2-CB 4.18Å; V38-F137 HydrophobicContact CG1-CD1 4.12Å; V38-F137 HydrophobicContact CG1-CE1 3.78Å; V38-L153 HydrophobicContact CG1-CD2 4.41Å; V38-F156 HydrophobicContact CG1-CD2 4.47Å; V38-F156 HydrophobicContact CG1-CG 4.41Å
39	K	91.1	Very high	91.8	Very high	127 Å²	127	36 Å²	36	55%	0.552	18%	0.184	S	C	*	.	H	α-helix	trans	-67.2	-45.7	175.1	-169.8	172.9	-173.3	171	0	112	S35 S41 A42 A44	S35-K39 WeakPolarHBondContact O-CB 3.38Å; S35-K39 PolarHBondContact O-N 2.95Å; K39-S41 PolarHBondContact O-N 3.02Å; K39-A42 PolarHBondContact O-N 3.47Å; K39-A44 WeakPolarHBondContact CA-O 3.42Å; K39-A44 PolarHBondContact N-O 3Å
40	R	88.5	Confident	92	Very high	198 Å²	198	34.9 Å²	34.9	75%	0.747	18%	0.176	S	C	*	.	H	α-helix	trans	-60.6	-32.2	173.5	-76.1	177.2	-174.3	-179.3	6.3	112.7	Q36 A42	Q36-R40 WeakPolarHBondContact O-CB 3.25Å; Q36-R40 VanDerWaalsContact O-CG 3.25Å; Q36-R40 WeakPolarHBondContact O-CG 3.5Å; Q36-R40 PolarHBondContact O-N 2.94Å; R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 3.37Å
41	S	89	Confident	92	Very high	43 Å²	43	35.1 Å²	35.1	30%	0.301	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.2	177.9	-54.8	0	0	0	0	113.5	L37 V38 K39 L43	L37-S41 WeakPolarHBondContact O-CB 3.19Å; L37-S41 PolarHBondContact O-N 3.27Å; L37-S41 PolarHBondContact O-OG 2.92Å; V38-S41 CarbonylContact O-C 3.5Å; V38-S41 PolarHBondContact O-N 2.95Å; K39-S41 PolarHBondContact O-N 3.02Å; S41-L43 PolarHBondContact O-N 3.28Å
42	A	90	Very high	91.8	Very high	67 Å²	67	37 Å²	37	55%	0.554	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	29.5	-172.8	0	0	0	0	0	113.7	V38 K39 R40 R139	V38-A42 PolarHBondContact O-N 3.4Å; K39-A42 PolarHBondContact O-N 3.47Å; R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 3.37Å; A42-R139 PolarHBondContact O-NH2 3.24Å
43	L	92.4	Very high	91.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	19%	0.185	C	C	.	.	S	Bend	trans	-86.7	-48	178.9	-68.4	174.3	0	0	0	110.8	V38 S41 R139 W145 E149 R152 L153 F156	V38-L43 HydrophobicContact CB-CB 4.25Å; V38-L43 PolarHBondContact O-N 2.87Å; S41-L43 PolarHBondContact O-N 3.28Å; L43-R139 PolarHBondContact O-NE 2.91Å; L43-R139 PolarHBondContact O-NH2 2.86Å; L43-R139 VanDerWaalsContact O-NH2 3.12Å; L43-W145 PolarHBondContact O-NE1 3.27Å; L43-E149 HydrophobicContact CD2-CB 3.86Å; L43-E149 HydrophobicContact CD2-CG 3.86Å; L43-R152 HydrophobicContact CD1-CB 3.88Å; L43-R152 HydrophobicContact CD2-CB 4.1Å; L43-L153 HydrophobicContact CB-CD2 3.91Å; L43-L153 HydrophobicContact CD1-CD2 4.24Å; L43-F156 HydrophobicContact CD1-CD2 3.96Å; L43-F156 HydrophobicContact CD1-CE2 3.64Å
44	A	93.7	Very high	90.9	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	21%	0.207	C	C	.	.			trans	-149.7	158.8	180	0	0	0	0	0	110.2	V38 K39 F137 W145	V38-A44 CarbonylContact C-O 3.49Å; V38-A44 HydrophobicContact CB-CB 4.24Å; V38-A44 HydrophobicContact CG2-CB 3.95Å; V38-A44 PolarHBondContact O-N 3.02Å; K39-A44 WeakPolarHBondContact CA-O 3.42Å; K39-A44 PolarHBondContact N-O 3Å; A44-F137 HydrophobicContact CB-CB 3.93Å; A44-F137 HydrophobicContact CB-CD1 4.34Å; A44-W145 HydrophobicContact CB-CZ2 4.39Å
45	D	93.3	Very high	90	Very high	53 Å²	53	49.2 Å²	49.2	28%	0.283	25%	0.251	S	S	.	.	S	Bend	trans	-83.1	-31.1	177.3	-66.7	-61.5	0	0	0	112.2	I138 R139 Y140	D45-I138 PolarHBondContact N-O 2.84Å; D45-R139 VanDerWaalsContact OD2-CA 3.32Å; D45-R139 WeakPolarHBondContact OD2-CA 3.5Å; D45-Y140 HydrophobicContact CB-CD2 3.43Å; D45-Y140 VanDerWaalsContact CB-CD2 3.43Å; D45-Y140 HydrophobicContact CB-CE2 3.68Å; D45-Y140 HydrophobicContact CB-CG 4.32Å; D45-Y140 PolarHBondContact OD2-N 3.5Å
46	N	92	Very high	89.3	Confident	23 Å²	23	51.9 Å²	51.9	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.6	177.4	-161.5	24.4	0	0	0	111.4	S35 F137 I138	S35-N46 PolarHBondContact OG-OD1 3.29Å; N46-F137 WeakPolarHBondContact O-CA 3.33Å; N46-I138 PolarHBondContact N-O 2.8Å; N46-I138 PolarHBondContact O-N 3.03Å
47	A	93.5	Very high	88.7	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.1	171.2	0	0	0	0	0	111.3	L34 S35 V38 E136 F137	L34-A47 HydrophobicContact CB-CB 4.35Å; L34-A47 HydrophobicContact CD2-CB 3.66Å; L34-A47 HydrophobicContact CG-CB 3.65Å; S35-A47 PolarHBondContact OG-N 2.93Å; S35-A47 PolarHBondContact OG-O 2.95Å; S35-A47 VanDerWaalsContact OG-O 3.07Å; V38-A47 HydrophobicContact CG2-CB 4.18Å; A47-E136 CarbonylContact C-O 3.27Å; A47-E136 WeakPolarHBondContact CA-O 3.29Å; A47-F137 HydrophobicContact CB-CD1 3.85Å; A47-F137 HydrophobicContact CB-CE1 4Å
48	A	93.6	Very high	88.3	Confident	2 Å²	2	57 Å²	57	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165	176.5	0	0	0	0	0	110.9	Y61 Y62 A63 C135 E136	A48-Y61 HydrophobicContact CB-CD2 4.46Å; A48-Y61 HydrophobicContact CB-CE2 3.57Å; A48-Y62 WeakPolarHBondContact CA-O 3.37Å; A48-Y62 VanDerWaalsContact CB-O 3.3Å; A48-Y62 WeakPolarHBondContact CB-O 3.49Å; A48-A63 HydrophobicContact CB-CB 3.87Å; A48-C135 CarbonylContact O-C 3.49Å; A48-C135 WeakPolarHBondContact O-CA 3.47Å; A48-E136 HydrophobicContact CB-CB 4.08Å; A48-E136 PolarHBondContact N-O 3.38Å; A48-E136 PolarHBondContact O-N 3.22Å
49	I	94.2	Very high	87.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.3	177.2	-66.5	169.9	0	0	0	107.8	L30 C31 L51 Y62 L125 V160 T164	L30-I49 HydrophobicContact CD2-CD1 3.58Å; L30-I49 HydrophobicContact CG-CD1 3.94Å; C31-I49 VanDerWaalsContact SG-CG1 3.57Å; I49-L51 HydrophobicContact CG2-CD2 3.68Å; I49-L51 HydrophobicContact CG2-CG 3.94Å; I49-Y62 PolarHBondContact N-O 3.33Å; I49-Y62 PolarHBondContact O-N 3.4Å; I49-L125 HydrophobicContact CG2-CD1 3.8Å; I49-V160 HydrophobicContact CD1-CG1 3.69Å; I49-V160 HydrophobicContact CG1-CG1 4.12Å; I49-T164 HydrophobicContact CG2-CG2 4.46Å
50	V	92.4	Very high	87.7	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.3	170.2	-173.7	0	0	0	0	108	A59 S60 Y61 V84 G133 G134 E136	V50-A59 HydrophobicContact CG1-CB 4.27Å; V50-S60 CarbonylContact C-O 3.58Å; V50-S60 WeakPolarHBondContact CA-O 3.41Å; V50-Y61 HydrophobicContact CG2-CD2 3.93Å; V50-V84 HydrophobicContact CB-CG2 4.44Å; V50-V84 HydrophobicContact CG1-CB 3.78Å; V50-V84 HydrophobicContact CG1-CG1 4.09Å; V50-V84 HydrophobicContact CG1-CG2 3.86Å; V50-G133 CarbonylContact O-C 3.6Å; V50-G133 WeakPolarHBondContact O-CA 3.35Å; V50-G134 PolarHBondContact N-O 3.2Å; V50-G134 PolarHBondContact O-N 2.98Å; V50-E136 HydrophobicContact CG2-CG 4.08Å; V50-E136 VanDerWaalsContact CG2-OE1 3.24Å; V50-E136 WeakPolarHBondContact CG2-OE1 3.43Å
51	L	91.4	Very high	87.7	Confident	5 Å²	5	42 Å²	42	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.4	176.9	-63.1	-175.9	0	0	0	111.1	L27 I49 A59 S60 Y62 L125 F132 T164 Q168	L27-L51 HydrophobicContact CD1-CD1 3.46Å; L27-L51 VanDerWaalsContact CD1-CD1 3.46Å; I49-L51 HydrophobicContact CG2-CD2 3.68Å; I49-L51 HydrophobicContact CG2-CG 3.94Å; L51-A59 CarbonylContact O-C 3.48Å; L51-A59 WeakPolarHBondContact O-CA 3.47Å; L51-S60 PolarHBondContact N-O 3.06Å; L51-S60 PolarHBondContact O-N 2.87Å; L51-Y62 HydrophobicContact CB-CE2 4.42Å; L51-Y62 HydrophobicContact CD1-CD2 4.31Å; L51-Y62 HydrophobicContact CD1-CE2 3.69Å; L51-Y62 HydrophobicContact CG-CD2 4.32Å; L51-Y62 HydrophobicContact CG-CE2 4Å; L51-L125 HydrophobicContact CD2-CD1 4.38Å; L51-F132 HydrophobicContact CD2-CD2 3.97Å; L51-F132 HydrophobicContact CD2-CE2 4.08Å; L51-T164 HydrophobicContact CD1-CG2 4.43Å; L51-T164 HydrophobicContact CD2-CG2 3.69Å; L51-Q168 HydrophobicContact CD1-CG 4.3Å
52	W	89.2	Confident	87.7	Confident	41 Å²	41	41.8 Å²	41.8	16%	0.155	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.5	176	175.6	-109.5	0	0	0	110.9	Q57 A59 A80 V84 L88 F132	W52-Q57 HydrophobicContact CH2-CB 4.02Å; W52-Q57 HydrophobicContact CZ2-CB 4.28Å; W52-Q57 VanDerWaalsContact CZ2-OE1 3.26Å; W52-A59 HydrophobicContact CE3-CB 4.45Å; W52-A80 HydrophobicContact CZ3-CB 3.93Å; W52-V84 HydrophobicContact CB-CG2 4.48Å; W52-L88 HydrophobicContact CB-CD1 4.19Å; W52-L88 HydrophobicContact CB-CD2 4.36Å; W52-L88 HydrophobicContact CD2-CD1 3.38Å; W52-L88 HydrophobicContact CE3-CD1 3.83Å; W52-L88 HydrophobicContact CG-CD1 3.53Å; W52-L88 HydrophobicContact CG-CD2 4.07Å; W52-L88 HydrophobicContact CG-CG 4.42Å; W52-L88 HydrophobicContact CZ2-CD1 4.14Å; W52-L88 HydrophobicContact CZ3-CD1 4.38Å; W52-F132 PolarHBondContact N-O 3.46Å
53	Q	83.3	Confident	87.6	Confident	76 Å²	76	38.7 Å²	38.7	36%	0.355	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	101	175.3	-63.7	-178.7	3.5	0	0	110	Q55 T56 Q57 R58 S60	Q53-Q55 VanDerWaalsContact C-N 3.31Å; Q53-Q55 PolarHBondContact O-N 2.85Å; Q53-T56 WeakPolarHBondContact CB-OG1 3.48Å; Q53-T56 PolarHBondContact O-N 2.81Å; Q53-T56 PolarHBondContact OE1-OG1 3.19Å; Q53-Q57 WeakPolarHBondContact O-CA 3.45Å; Q53-Q57 PolarHBondContact O-N 2.92Å; Q53-R58 PolarHBondContact N-O 3.16Å; Q53-R58 PolarHBondContact O-N 3.44Å; Q53-S60 PolarHBondContact NE2-OG 2.82Å
54	A	79.3	Confident	86.7	Confident	66 Å²	66	40 Å²	40	55%	0.545	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.8	-174.7	0	0	0	0	0	113.9	Q57	A54-Q57 PolarHBondContact O-NE2 3.36Å; A54-Q57 VanDerWaalsContact O-NE2 3.07Å
55	Q	75.1	Confident	85.1	Confident	197 Å²	197	46.5 Å²	46.5	92%	0.921	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.1	-177.9	-66.7	-178.2	-3.5	0	0	112.6	Q53	Q53-Q55 VanDerWaalsContact C-N 3.31Å; Q53-Q55 PolarHBondContact O-N 2.85Å
56	T	78.1	Confident	83.2	Confident	66 Å²	66	53.2 Å²	53.2	41%	0.405	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-11	-177.4	55.6	0	0	0	0	112.6	Q53 R58	Q53-T56 WeakPolarHBondContact CB-OG1 3.48Å; Q53-T56 PolarHBondContact O-N 2.81Å; Q53-T56 PolarHBondContact OE1-OG1 3.19Å; T56-R58 VanDerWaalsContact C-N 3.28Å; T56-R58 WeakPolarHBondContact O-CG 3.46Å
57	Q	79.9	Confident	81	Confident	120 Å²	120	60.7 Å²	60.7	56%	0.561	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	37.9	-171.9	-61.9	-76.7	-52.3	0	0	112.6	W52 Q53 A54	W52-Q57 HydrophobicContact CH2-CB 4.02Å; W52-Q57 HydrophobicContact CZ2-CB 4.28Å; W52-Q57 VanDerWaalsContact CZ2-OE1 3.26Å; Q53-Q57 WeakPolarHBondContact O-CA 3.45Å; Q53-Q57 PolarHBondContact O-N 2.92Å; A54-Q57 PolarHBondContact O-NE2 3.36Å; A54-Q57 VanDerWaalsContact O-NE2 3.07Å
58	R	81.5	Confident	78.7	Confident	100 Å²	100	67.8 Å²	67.8	38%	0.377	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	156.4	-175.2	-64.2	177.6	174.3	-177	-2.8	111.5	Q53 T56 E76	Q53-R58 PolarHBondContact N-O 3.16Å; Q53-R58 PolarHBondContact O-N 3.44Å; T56-R58 VanDerWaalsContact C-N 3.28Å; T56-R58 WeakPolarHBondContact O-CG 3.46Å; R58-E76 HydrophobicContact CB-CB 4.22Å; R58-E76 VanDerWaalsContact CD-CD 3.4Å; R58-E76 WeakPolarHBondContact CD-OE1 3.46Å; R58-E76 HydrophobicContact CG-CB 3.92Å; R58-E76 VanDerWaalsContact CZ-CD 3.43Å; R58-E76 IonicContact CZ-OE1 3.65Å; R58-E76 IonicContact CZ-OE2 3.93Å; R58-E76 IonicContact NE-OE1 3.55Å; R58-E76 IonicContact NE-OE2 2.68Å; R58-E76 PolarHBondContact NE-OE2 3.4Å; R58-E76 VanDerWaalsContact NE-OE2 3.17Å; R58-E76 IonicContact NH1-OE1 3.87Å; R58-E76 PolarHBondContact NH1-OE1 2.99Å; R58-E76 IonicContact NH1-OE2 3.85Å; R58-E76 PolarHBondContact NH1-OE2 3.35Å; R58-E76 IonicContact NH2-OE2 2.79Å; R58-E76 PolarHBondContact NH2-OE2 2.76Å
59	A	85.2	Confident	76.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.2	174.1	0	0	0	0	0	111.5	V50 L51 W52 L79 A80 V84	V50-A59 HydrophobicContact CG1-CB 4.27Å; L51-A59 CarbonylContact O-C 3.48Å; L51-A59 WeakPolarHBondContact O-CA 3.47Å; W52-A59 HydrophobicContact CE3-CB 4.45Å; A59-L79 HydrophobicContact CB-CB 3.91Å; A59-A80 HydrophobicContact CB-CB 4.35Å; A59-V84 HydrophobicContact CB-CG1 4.04Å
60	S	86.5	Confident	74	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.028	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.8	176.3	-54.5	0	0	0	0	109.8	V50 L51 Q53	V50-S60 CarbonylContact C-O 3.58Å; V50-S60 WeakPolarHBondContact CA-O 3.41Å; L51-S60 PolarHBondContact N-O 3.06Å; L51-S60 PolarHBondContact O-N 2.87Å; Q53-S60 PolarHBondContact NE2-OG 2.82Å
61	Y	89.2	Confident	72.2	Confident	8 Å²	8	77.7 Å²	77.7	3%	0.031	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.7	-178.3	175.5	-98.5	0	0	0	111.6	A48 V50 A63 I71 Y73 L113 E136	A48-Y61 HydrophobicContact CB-CD2 4.46Å; A48-Y61 HydrophobicContact CB-CE2 3.57Å; V50-Y61 HydrophobicContact CG2-CD2 3.93Å; Y61-A63 HydrophobicContact CD1-CB 4.35Å; Y61-A63 HydrophobicContact CE1-CB 3.44Å; Y61-A63 VanDerWaalsContact CE1-CB 3.44Å; Y61-A63 HydrophobicContact CE2-CB 4.48Å; Y61-A63 WeakPolarHBondContact OH-CB 3.43Å; Y61-I71 HydrophobicContact CD1-CG2 4.26Å; Y61-Y73 PolarHBondContact N-O 2.84Å; Y61-Y73 PolarHBondContact O-N 3.37Å; Y61-Y73 VanDerWaalsContact O-N 3.12Å; Y61-L113 HydrophobicContact CD1-CD1 3.76Å; Y61-L113 HydrophobicContact CD1-CD2 3.94Å; Y61-L113 HydrophobicContact CD1-CG 4.16Å; Y61-L113 HydrophobicContact CD2-CD2 4.37Å; Y61-L113 HydrophobicContact CE1-CD1 3.67Å; Y61-L113 HydrophobicContact CE1-CD2 4.14Å; Y61-L113 HydrophobicContact CE1-CG 3.95Å; Y61-L113 HydrophobicContact CG-CD2 4.04Å; Y61-E136 WeakPolarHBondContact CE2-OE2 3.32Å
62	Y	88.8	Confident	70.3	Confident	37 Å²	37	83.2 Å²	83.2	15%	0.145	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.9	179.2	-59.4	-92.8	0	0	0	109.7	L27 C31 A48 I49 L51 K72	L27-Y62 HydrophobicContact CB-CD1 3.57Å; L27-Y62 HydrophobicContact CB-CD2 4.43Å; L27-Y62 HydrophobicContact CB-CE1 3.88Å; L27-Y62 HydrophobicContact CB-CG 3.87Å; L27-Y62 HydrophobicContact CD1-CD1 4.14Å; L27-Y62 HydrophobicContact CD1-CD2 4.09Å; L27-Y62 HydrophobicContact CD1-CE1 3.71Å; L27-Y62 HydrophobicContact CD1-CE2 3.69Å; L27-Y62 HydrophobicContact CD1-CG 4.3Å; L27-Y62 VanDerWaalsContact CD1-CZ 3.46Å; L27-Y62 HydrophobicContact CG-CE1 4.43Å; C31-Y62 PolarHBondContact SG-O 3.22Å; A48-Y62 WeakPolarHBondContact CA-O 3.37Å; A48-Y62 VanDerWaalsContact CB-O 3.3Å; A48-Y62 WeakPolarHBondContact CB-O 3.49Å; I49-Y62 PolarHBondContact N-O 3.33Å; I49-Y62 PolarHBondContact O-N 3.4Å; L51-Y62 HydrophobicContact CB-CE2 4.42Å; L51-Y62 HydrophobicContact CD1-CD2 4.31Å; L51-Y62 HydrophobicContact CD1-CE2 3.69Å; L51-Y62 HydrophobicContact CG-CD2 4.32Å; L51-Y62 HydrophobicContact CG-CE2 4Å; Y62-K72 HydrophobicContact CE1-CG 4.25Å
63	A	86.3	Confident	68.7	Low	3 Å²	3	84.9 Å²	84.9	3%	0.025	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157	176.3	0	0	0	0	0	111.8	A48 Y61 I71	A48-A63 HydrophobicContact CB-CB 3.87Å; Y61-A63 HydrophobicContact CD1-CB 4.35Å; Y61-A63 HydrophobicContact CE1-CB 3.44Å; Y61-A63 VanDerWaalsContact CE1-CB 3.44Å; Y61-A63 HydrophobicContact CE2-CB 4.48Å; Y61-A63 WeakPolarHBondContact OH-CB 3.43Å; A63-I71 PolarHBondContact O-N 2.83Å
64	S	75.4	Confident	67.1	Low	29 Å²	29	85.8 Å²	85.8	20%	0.203	42%	0.421	C	S	.	.			trans	-90.4	134.4	169.8	179.5	0	0	0	0	110.2
65	R	59	Low	66	Low	142 Å²	142	85.4 Å²	85.4	54%	0.536	41%	0.41	S	S	.	.			trans	-111	153.4	166.8	-90.8	-164.1	177.7	166.6	7.2	109.7	K67 I71	R65-K67 PolarHBondContact O-N 2.92Å; R65-I71 HydrophobicContact CG-CD1 3.7Å; R65-I71 HydrophobicContact CG-CG1 4.33Å; R65-I71 VanDerWaalsContact NE-CD1 3.35Å
66	E	53.6	Low	65.3	Low	195 Å²	195	78.9 Å²	78.9	91%	0.911	38%	0.379	S	S	*	.	S	Bend	trans	-55.5	-5.3	177.1	-70	-174.8	149.7	0	0	116.2
67	K	46.6	Very low	64.7	Low	180 Å²	180	80.1 Å²	80.1	78%	0.783	39%	0.387	S	S	*	.	S	Bend	trans	-126.2	66.1	-179	-70	-172.8	177.6	-178.3	0	111.1	R65 T69	R65-K67 PolarHBondContact O-N 2.92Å; K67-T69 PolarHBondContact O-N 2.77Å; K67-T69 PolarHBondContact O-OG1 3.02Å
68	D	44.3	Very low	64.8	Low	150 Å²	150	76 Å²	76	80%	0.802	37%	0.37	S	S	*	.	S	Bend	trans	37.7	20.5	161.9	-68.8	-16.6	0	0	0	118.7
69	T	41.8	Very low	64.9	Low	94 Å²	94	71.5 Å²	71.5	58%	0.577	35%	0.354	S	S	*	.			trans	-123.4	106.6	179.7	39	0	0	0	0	107.5	K67 I71	K67-T69 PolarHBondContact O-N 2.77Å; K67-T69 PolarHBondContact O-OG1 3.02Å; T69-I71 PolarHBondContact O-N 2.83Å
70	P	47.6	Very low	64.8	Low	88 Å²	88	71.8 Å²	71.8	57%	0.571	36%	0.356	S	S	*	.			trans	-42.7	127.4	164.7	-36.3	40.9	0	0	0	111.9	A28 K72	A28-P70 HydrophobicContact CB-CB 3.4Å; A28-P70 VanDerWaalsContact CB-CB 3.4Å; A28-P70 HydrophobicContact CB-CG 3.69Å; P70-K72 PolarHBondContact O-N 3.29Å
71	I	54	Low	64.8	Low	31 Å²	31	77 Å²	77	16%	0.159	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.6	162.3	-65.2	-178.4	0	0	0	107.1	Y61 A63 R65 T69	Y61-I71 HydrophobicContact CD1-CG2 4.26Å; A63-I71 PolarHBondContact O-N 2.83Å; R65-I71 HydrophobicContact CG-CD1 3.7Å; R65-I71 HydrophobicContact CG-CG1 4.33Å; R65-I71 VanDerWaalsContact NE-CD1 3.35Å; T69-I71 PolarHBondContact O-N 2.83Å
72	K	51.4	Low	64.8	Low	121 Å²	121	76.6 Å²	76.6	53%	0.526	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	98.4	152.3	-169.7	-173.9	-178.6	-149.8	0	106.5	Y62 P70 E74	Y62-K72 HydrophobicContact CE1-CG 4.25Å; P70-K72 PolarHBondContact O-N 3.29Å; K72-E74 VanDerWaalsContact CE-CD 3.47Å; K72-E74 WeakPolarHBondContact CE-OE1 3.19Å; K72-E74 HydrophobicContact CG-CG 4.4Å; K72-E74 VanDerWaalsContact NZ-CD 3.25Å; K72-E74 IonicContact NZ-OE1 3.46Å; K72-E74 PolarHBondContact NZ-OE1 3.49Å; K72-E74 IonicContact NZ-OE2 3.9Å; K72-E74 PolarHBondContact NZ-OE2 3.11Å
73	Y	56.8	Low	64.9	Low	76 Å²	76	75 Å²	75	30%	0.298	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.3	176.7	-167.5	-112.6	0	0	0	108.5	Y61 D75 L79 L113	Y61-Y73 PolarHBondContact N-O 2.84Å; Y61-Y73 PolarHBondContact O-N 3.37Å; Y61-Y73 VanDerWaalsContact O-N 3.12Å; Y73-D75 HydrophobicContact CD1-CB 4.01Å; Y73-D75 HydrophobicContact CE1-CB 3.3Å; Y73-D75 HydrophobicContact CE2-CB 4.29Å; Y73-D75 VanDerWaalsContact CZ-CB 3.46Å; Y73-D75 PolarHBondContact OH-OD2 3.49Å; Y73-L79 HydrophobicContact CD1-CD1 3.53Å; Y73-L79 HydrophobicContact CD1-CG 4.49Å; Y73-L79 HydrophobicContact CE1-CD1 3.99Å; Y73-L113 HydrophobicContact CD1-CD1 3.76Å; Y73-L113 HydrophobicContact CD1-CD2 3.79Å; Y73-L113 HydrophobicContact CD1-CG 4.37Å; Y73-L113 HydrophobicContact CD2-CD1 4.44Å; Y73-L113 HydrophobicContact CE1-CD1 4.21Å; Y73-L113 HydrophobicContact CE1-CD2 4.08Å; Y73-L113 HydrophobicContact CG-CD1 3.89Å
74	E	49.8	Very low	65.1	Low	94 Å²	94	75 Å²	75	44%	0.439	37%	0.372	S	S	.	.			trans	-103.6	59.7	172.2	-71.1	178.5	155.4	0	0	108.8	K72 E76	K72-E74 VanDerWaalsContact CE-CD 3.47Å; K72-E74 WeakPolarHBondContact CE-OE1 3.19Å; K72-E74 HydrophobicContact CG-CG 4.4Å; K72-E74 VanDerWaalsContact NZ-CD 3.25Å; K72-E74 IonicContact NZ-OE1 3.46Å; K72-E74 PolarHBondContact NZ-OE1 3.49Å; K72-E74 IonicContact NZ-OE2 3.9Å; K72-E74 PolarHBondContact NZ-OE2 3.11Å; E74-E76 HydrophobicContact CB-CG 4.32Å; E74-E76 PolarHBondContact O-N 3.43Å
75	D	54.8	Low	65.7	Low	58 Å²	58	80 Å²	80	31%	0.31	39%	0.387	S	S	.	.			trans	-88	90.3	158.5	-167.4	-19	0	0	0	108.2	Y73 T77 L79	Y73-D75 HydrophobicContact CD1-CB 4.01Å; Y73-D75 HydrophobicContact CE1-CB 3.3Å; Y73-D75 HydrophobicContact CE2-CB 4.29Å; Y73-D75 VanDerWaalsContact CZ-CB 3.46Å; Y73-D75 PolarHBondContact OH-OD2 3.49Å; D75-T77 VanDerWaalsContact C-N 3.25Å; D75-T77 PolarHBondContact O-N 2.95Å; D75-L79 WeakPolarHBondContact O-CD1 3.39Å
76	E	60.2	Low	67.1	Low	60 Å²	60	75.2 Å²	75.2	28%	0.28	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.8	-158.2	-59.9	179	134.6	0	0	114	R58 E74 A80	R58-E76 HydrophobicContact CB-CB 4.22Å; R58-E76 VanDerWaalsContact CD-CD 3.4Å; R58-E76 WeakPolarHBondContact CD-OE1 3.46Å; R58-E76 HydrophobicContact CG-CB 3.92Å; R58-E76 VanDerWaalsContact CZ-CD 3.43Å; R58-E76 IonicContact CZ-OE1 3.65Å; R58-E76 IonicContact CZ-OE2 3.93Å; R58-E76 IonicContact NE-OE1 3.55Å; R58-E76 IonicContact NE-OE2 2.68Å; R58-E76 PolarHBondContact NE-OE2 3.4Å; R58-E76 VanDerWaalsContact NE-OE2 3.17Å; R58-E76 IonicContact NH1-OE1 3.87Å; R58-E76 PolarHBondContact NH1-OE1 2.99Å; R58-E76 IonicContact NH1-OE2 3.85Å; R58-E76 PolarHBondContact NH1-OE2 3.35Å; R58-E76 IonicContact NH2-OE2 2.79Å; R58-E76 PolarHBondContact NH2-OE2 2.76Å; E74-E76 HydrophobicContact CB-CG 4.32Å; E74-E76 PolarHBondContact O-N 3.43Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.49Å
77	T	66.8	Low	68.7	Low	92 Å²	92	66 Å²	66	56%	0.564	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-49.4	-173.3	58.8	0	0	0	0	113	D75 L79 A80 H81	D75-T77 VanDerWaalsContact C-N 3.25Å; D75-T77 PolarHBondContact O-N 2.95Å; T77-L79 PolarHBondContact O-N 2.86Å; T77-A80 PolarHBondContact O-N 3.25Å; T77-H81 PolarHBondContact O-CD2 2.9Å; T77-H81 PolarHBondContact O-N 3.41Å
78	V	80.4	Confident	70.7	Confident	35 Å²	35	60.2 Å²	60.2	21%	0.212	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-42	-176.3	-175.7	0	0	0	0	111.2	A80 H81 G82 Q107 L108	V78-A80 VanDerWaalsContact C-N 3.34Å; V78-A80 PolarHBondContact O-N 3.02Å; V78-H81 PolarHBondContact O-N 2.97Å; V78-G82 PolarHBondContact O-N 3.27Å; V78-Q107 HydrophobicContact CG1-CB 3.99Å; V78-L108 HydrophobicContact CG1-CB 4.16Å; V78-L108 HydrophobicContact CG1-CD1 4.07Å
79	L	84	Confident	72.5	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63	-38.7	175.1	-77.5	158.3	0	0	0	112.5	A59 Y73 D75 T77 H81 G82 L108 L113	A59-L79 HydrophobicContact CB-CB 3.91Å; Y73-L79 HydrophobicContact CD1-CD1 3.53Å; Y73-L79 HydrophobicContact CD1-CG 4.49Å; Y73-L79 HydrophobicContact CE1-CD1 3.99Å; D75-L79 WeakPolarHBondContact O-CD1 3.39Å; T77-L79 PolarHBondContact O-N 2.86Å; L79-H81 PolarHBondContact O-N 3.41Å; L79-G82 WeakPolarHBondContact O-CA 3.43Å; L79-G82 PolarHBondContact O-N 3.43Å; L79-L108 HydrophobicContact CD2-CD1 3.88Å; L79-L108 HydrophobicContact CG-CD1 4.21Å; L79-L113 HydrophobicContact CD2-CD2 3.78Å
80	A	84.4	Confident	74.5	Confident	6 Å²	6	61.7 Å²	61.7	5%	0.05	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.8	-21.5	178.7	0	0	0	0	0	113.2	W52 A59 E76 T77 V78 R85	W52-A80 HydrophobicContact CZ3-CB 3.93Å; A59-A80 HydrophobicContact CB-CB 4.35Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.49Å; T77-A80 PolarHBondContact O-N 3.25Å; V78-A80 VanDerWaalsContact C-N 3.34Å; V78-A80 PolarHBondContact O-N 3.02Å; A80-R85 WeakPolarHBondContact O-CB 3.41Å
81	H	86.2	Confident	76.1	Confident	112 Å²	112	61.7 Å²	61.7	52%	0.519	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-96.3	2.9	171	-67.7	-72.7	0	0	0	113.5	T77 V78 L79 R85	T77-H81 PolarHBondContact O-CD2 2.9Å; T77-H81 PolarHBondContact O-N 3.41Å; V78-H81 PolarHBondContact O-N 2.97Å; L79-H81 PolarHBondContact O-N 3.41Å; H81-R85 PolarHBondContact CE1-NH1 2.88Å; H81-R85 PolarHBondContact ND1-NH1 3.41Å
82	G	88.9	Confident	77.7	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.01	33%	0.328	C	S	.	.	S	Bend	trans	-84	-159.1	-177	0	0	0	0	0	114.9	V78 L79 V84 R85 W105	V78-G82 PolarHBondContact O-N 3.27Å; L79-G82 WeakPolarHBondContact O-CA 3.43Å; L79-G82 PolarHBondContact O-N 3.43Å; G82-V84 PolarHBondContact O-N 2.97Å; G82-R85 WeakPolarHBondContact O-CB 3.37Å; G82-R85 PolarHBondContact O-N 3.37Å; G82-R85 VanDerWaalsContact O-N 3.09Å; G82-W105 VanDerWaalsContact C-NE1 3.35Å
83	P	91	Very high	79.6	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.019	32%	0.319	C	S	.	.	H	α-helix	trans	-51.8	-37.5	179.9	-28.8	34.6	0	0	0	114.5	R85 S86 I87 F101 W105 L108 Y120 L122	P83-R85 PolarHBondContact O-N 2.76Å; P83-S86 WeakPolarHBondContact O-CB 3.23Å; P83-S86 PolarHBondContact O-N 3.25Å; P83-I87 PolarHBondContact O-N 3.24Å; P83-F101 HydrophobicContact CG-CE2 3.67Å; P83-F101 HydrophobicContact CG-CZ 4.28Å; P83-W105 HydrophobicContact CB-CH2 4.13Å; P83-W105 HydrophobicContact CB-CZ2 4.15Å; P83-W105 HydrophobicContact CB-CZ3 4.45Å; P83-W105 HydrophobicContact CG-CD2 3.94Å; P83-W105 HydrophobicContact CG-CE3 3.84Å; P83-W105 HydrophobicContact CG-CH2 4Å; P83-W105 HydrophobicContact CG-CZ2 4.09Å; P83-W105 HydrophobicContact CG-CZ3 3.87Å; P83-L108 VanDerWaalsContact CD-CD2 3.43Å; P83-L108 HydrophobicContact CG-CD2 4.23Å; P83-Y120 HydrophobicContact CB-CE1 4.12Å; P83-Y120 VanDerWaalsContact CB-OH 3.27Å; P83-Y120 WeakPolarHBondContact CB-OH 3.45Å; P83-Y120 HydrophobicContact CG-CE1 4.23Å; P83-Y120 WeakPolarHBondContact CG-OH 3.32Å; P83-L122 HydrophobicContact CB-CD2 3.53Å
84	V	90.2	Very high	81.2	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-33.5	-179.6	74.3	0	0	0	0	112.6	V50 W52 A59 G82 S86 I87 L88	V50-V84 HydrophobicContact CB-CG2 4.44Å; V50-V84 HydrophobicContact CG1-CB 3.78Å; V50-V84 HydrophobicContact CG1-CG1 4.09Å; V50-V84 HydrophobicContact CG1-CG2 3.86Å; W52-V84 HydrophobicContact CB-CG2 4.48Å; A59-V84 HydrophobicContact CB-CG1 4.04Å; G82-V84 PolarHBondContact O-N 2.97Å; V84-S86 VanDerWaalsContact C-N 3.27Å; V84-S86 PolarHBondContact O-N 3.48Å; V84-I87 HydrophobicContact CG2-CD1 4.24Å; V84-I87 HydrophobicContact CG2-CG1 4.37Å; V84-I87 WeakPolarHBondContact O-CG1 3.36Å; V84-I87 PolarHBondContact O-N 2.93Å; V84-L88 WeakPolarHBondContact O-CG 3.29Å; V84-L88 PolarHBondContact O-N 2.77Å
85	R	88.9	Confident	83.3	Confident	134 Å²	134	61.6 Å²	61.6	51%	0.506	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-33.4	177.8	-173	169	177.2	141.9	-0.4	112.4	A80 H81 G82 P83 S89	A80-R85 WeakPolarHBondContact O-CB 3.41Å; H81-R85 PolarHBondContact CE1-NH1 2.88Å; H81-R85 PolarHBondContact ND1-NH1 3.41Å; G82-R85 WeakPolarHBondContact O-CB 3.37Å; G82-R85 PolarHBondContact O-N 3.37Å; G82-R85 VanDerWaalsContact O-N 3.09Å; P83-R85 PolarHBondContact O-N 2.76Å; R85-S89 PolarHBondContact O-N 3.47Å
86	S	87	Confident	85.2	Confident	41 Å²	41	59.5 Å²	59.5	29%	0.287	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-46.2	179.3	-56.2	0	0	0	0	110.3	P83 V84 L88 S89 R90	P83-S86 WeakPolarHBondContact O-CB 3.23Å; P83-S86 PolarHBondContact O-N 3.25Å; V84-S86 VanDerWaalsContact C-N 3.27Å; V84-S86 PolarHBondContact O-N 3.48Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 3.44Å; S86-S89 PolarHBondContact O-N 3.31Å; S86-S89 VanDerWaalsContact O-N 3.15Å; S86-S89 PolarHBondContact O-OG 2.91Å; S86-R90 PolarHBondContact O-N 3.5Å
87	I	88.8	Confident	86.9	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-28.1	-179.2	62.7	164.4	0	0	0	113.4	P83 V84 S89 R90 L94 L122 P124 I131 G133	P83-I87 PolarHBondContact O-N 3.24Å; V84-I87 HydrophobicContact CG2-CD1 4.24Å; V84-I87 HydrophobicContact CG2-CG1 4.37Å; V84-I87 WeakPolarHBondContact O-CG1 3.36Å; V84-I87 PolarHBondContact O-N 2.93Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 2.98Å; I87-R90 CarbonylContact C-O 3.45Å; I87-R90 VanDerWaalsContact CA-O 3.26Å; I87-R90 WeakPolarHBondContact CA-O 3.37Å; I87-R90 CarbonylContact O-C 3.57Å; I87-R90 VanDerWaalsContact O-C 3.27Å; I87-R90 VanDerWaalsContact O-O 3.12Å; I87-L94 HydrophobicContact CG2-CB 4.27Å; I87-L122 HydrophobicContact CD1-CD1 4.3Å; I87-L122 HydrophobicContact CD1-CD2 3.94Å; I87-L122 HydrophobicContact CD1-CG 4.04Å; I87-L122 HydrophobicContact CG1-CD2 4.17Å; I87-L122 HydrophobicContact CG2-CD2 3.92Å; I87-L122 HydrophobicContact CG2-CG 4.09Å; I87-P124 HydrophobicContact CD1-CB 4.4Å; I87-I131 HydrophobicContact CD1-CG2 4.39Å; I87-I131 WeakPolarHBondContact O-CD1 3.14Å; I87-G133 VanDerWaalsContact CD1-O 3.28Å; I87-G133 WeakPolarHBondContact CD1-O 3.27Å
88	L	86.7	Confident	88.1	Confident	59 Å²	59	56.3 Å²	56.3	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-31.7	173.6	-69.1	168.7	0	0	0	112.1	W52 V84 S86 I131	W52-L88 HydrophobicContact CB-CD1 4.19Å; W52-L88 HydrophobicContact CB-CD2 4.36Å; W52-L88 HydrophobicContact CD2-CD1 3.38Å; W52-L88 HydrophobicContact CE3-CD1 3.83Å; W52-L88 HydrophobicContact CG-CD1 3.53Å; W52-L88 HydrophobicContact CG-CD2 4.07Å; W52-L88 HydrophobicContact CG-CG 4.42Å; W52-L88 HydrophobicContact CZ2-CD1 4.14Å; W52-L88 HydrophobicContact CZ3-CD1 4.38Å; V84-L88 WeakPolarHBondContact O-CG 3.29Å; V84-L88 PolarHBondContact O-N 2.77Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 3.44Å; L88-I131 HydrophobicContact CD2-CB 4.2Å; L88-I131 HydrophobicContact CD2-CG2 3.85Å
89	S	82.9	Confident	88.7	Confident	93 Å²	93	61.5 Å²	61.5	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-88.6	-30.5	178.2	71.4	0	0	0	0	113.6	R85 S86 I87	R85-S89 PolarHBondContact O-N 3.47Å; S86-S89 PolarHBondContact O-N 3.31Å; S86-S89 VanDerWaalsContact O-N 3.15Å; S86-S89 PolarHBondContact O-OG 2.91Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 2.98Å
90	R	83.1	Confident	89.2	Confident	182 Å²	182	66 Å²	66	69%	0.687	33%	0.331	S	S	*	.	S	Bend	trans	-136.7	106.4	178.1	-69	-175.7	-179.4	175.8	0.7	108.2	S86 I87 D92	S86-R90 PolarHBondContact O-N 3.5Å; I87-R90 CarbonylContact C-O 3.45Å; I87-R90 VanDerWaalsContact CA-O 3.26Å; I87-R90 WeakPolarHBondContact CA-O 3.37Å; I87-R90 CarbonylContact O-C 3.57Å; I87-R90 VanDerWaalsContact O-C 3.27Å; I87-R90 VanDerWaalsContact O-O 3.12Å; R90-D92 PolarHBondContact O-N 2.89Å
91	P	81.7	Confident	89.7	Confident	89 Å²	89	65.7 Å²	65.7	58%	0.578	33%	0.328	S	S	*	.			trans	-73.7	34.8	-173	34	-39.2	0	0	0	113.8	I131	P91-I131 HydrophobicContact CB-CD1 3.41Å; P91-I131 VanDerWaalsContact CB-CD1 3.41Å
92	D	87.5	Confident	90	Very high	112 Å²	112	62.2 Å²	62.2	60%	0.599	32%	0.316	S	S	*	.	S	Bend	trans	-96.7	152	179	-62.9	-39.5	0	0	0	110.3	R90 L94	R90-D92 PolarHBondContact O-N 2.89Å; D92-L94 PolarHBondContact O-N 3.45Å
93	T	90.9	Very high	90.2	Very high	55 Å²	55	69.2 Å²	69.2	34%	0.337	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-63	120.8	171.9	-61.5	0	0	0	0	110.3	C121 M123 F150	T93-C121 VanDerWaalsContact CG2-SG 3.59Å; T93-M123 HydrophobicContact CG2-CE 3.99Å; T93-M123 HydrophobicContact CG2-CG 3.75Å; T93-F150 HydrophobicContact CG2-CD1 4.46Å; T93-F150 HydrophobicContact CG2-CE1 4.17Å
94	L	92.3	Very high	90.3	Very high	32 Å²	32	73 Å²	73	17%	0.168	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.7	173.9	-171	145	0	0	0	109.1	I87 D92 W105 Y120 C121 L122	I87-L94 HydrophobicContact CG2-CB 4.27Å; D92-L94 PolarHBondContact O-N 3.45Å; L94-W105 HydrophobicContact CD1-CH2 3.66Å; L94-W105 HydrophobicContact CD1-CZ2 4.09Å; L94-W105 HydrophobicContact CD2-CH2 3.85Å; L94-W105 HydrophobicContact CD2-CZ3 4.32Å; L94-W105 HydrophobicContact CG-CH2 4.37Å; L94-Y120 HydrophobicContact CD2-CD1 3.94Å; L94-Y120 HydrophobicContact CD2-CE1 3.73Å; L94-C121 CarbonylContact O-C 3.58Å; L94-C121 VanDerWaalsContact O-CA 3.29Å; L94-C121 WeakPolarHBondContact O-CA 3.42Å; L94-L122 HydrophobicContact CB-CB 4.26Å; L94-L122 PolarHBondContact N-O 3.15Å; L94-L122 PolarHBondContact O-N 2.76Å
95	H	93.3	Very high	90.4	Very high	120 Å²	120	74.3 Å²	74.3	56%	0.556	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	139.5	174.1	65	-74.4	0	0	0	109.6	Y120 F150	H95-Y120 CarbonylContact C-O 3.55Å; H95-Y120 WeakPolarHBondContact CA-O 3.13Å; H95-F150 HydrophobicContact CB-CE1 4.45Å; H95-F150 HydrophobicContact CB-CZ 4.21Å
96	C	94.1	Very high	90.5	Very high	14 Å²	14	71.7 Å²	71.7	10%	0.095	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	162.7	-178.5	66	0	0	0	0	111.9	E100 Y120	C96-E100 WeakPolarHBondContact CA-OE2 3.24Å; C96-E100 HydrophobicContact CB-CB 3.84Å; C96-E100 VanDerWaalsContact CB-OE2 3.24Å; C96-E100 WeakPolarHBondContact CB-OE2 3.39Å; C96-Y120 PolarHBondContact N-O 2.82Å; C96-Y120 PolarHBondContact O-N 2.88Å
97	S	95.1	Very high	90.5	Very high	27 Å²	27	76.6 Å²	76.6	19%	0.189	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	169	167.6	76.2	0	0	0	0	111.3	E99 E100 F101 G118	S97-E99 VanDerWaalsContact C-N 3.3Å; S97-E99 PolarHBondContact O-N 2.78Å; S97-E99 PolarHBondContact OG-N 3.21Å; S97-E100 PolarHBondContact N-OE2 2.8Å; S97-E100 PolarHBondContact O-N 3.33Å; S97-E100 WeakPolarHBondContact OG-CG 3.26Å; S97-E100 PolarHBondContact OG-N 2.98Å; S97-F101 WeakPolarHBondContact O-CB 3.38Å; S97-F101 PolarHBondContact O-N 3.21Å; S97-G118 WeakPolarHBondContact CA-O 3.41Å
98	Y	93.7	Very high	90.4	Very high	58 Å²	58	76.9 Å²	76.9	23%	0.227	40%	0.397	C	S	.	.	H	α-helix	trans	-64.2	-33.8	173.7	-175.6	-99.9	0	0	0	113.3	F101 C102 K116 F117 G118	Y98-F101 PolarHBondContact O-N 3.04Å; Y98-C102 WeakPolarHBondContact CE1-SG 3.44Å; Y98-C102 VanDerWaalsContact CZ-SG 3.57Å; Y98-C102 PolarHBondContact O-N 3.36Å; Y98-C102 PolarHBondContact O-SG 3.19Å; Y98-K116 HydrophobicContact CD1-CG 3.9Å; Y98-K116 HydrophobicContact CD2-CG 4.45Å; Y98-K116 HydrophobicContact CE1-CB 4.37Å; Y98-K116 HydrophobicContact CE1-CG 3.94Å; Y98-K116 HydrophobicContact CE2-CB 4.39Å; Y98-K116 HydrophobicContact CG-CG 4.17Å; Y98-F117 VanDerWaalsContact CA-CE2 3.44Å; Y98-F117 WeakPolarHBondContact CB-O 3.27Å; Y98-F117 AromaticContact CD2-CD1 3.7Å; Y98-F117 HydrophobicContact CD2-CD1 3.7Å; Y98-F117 AromaticContact CD2-CD2 3.87Å; Y98-F117 HydrophobicContact CD2-CD2 3.87Å; Y98-F117 AromaticContact CD2-CE1 3.6Å; Y98-F117 HydrophobicContact CD2-CE1 3.6Å; Y98-F117 AromaticContact CD2-CE2 3.77Å; Y98-F117 HydrophobicContact CD2-CE2 3.77Å; Y98-F117 AromaticContact CD2-CG 3.83Å; Y98-F117 HydrophobicContact CD2-CG 3.83Å; Y98-F117 AromaticContact CD2-CZ 3.63Å; Y98-F117 HydrophobicContact CD2-CZ 3.63Å; Y98-F117 HydrophobicContact CE2-CD1 4.22Å; Y98-F117 HydrophobicContact CE2-CE1 4.07Å; Y98-F117 HydrophobicContact CE2-CZ 4.43Å; Y98-F117 HydrophobicContact CG-CD2 4.31Å; Y98-F117 HydrophobicContact CG-CE2 4.26Å; Y98-F117 HydrophobicContact CG-CZ 4.5Å; Y98-G118 PolarHBondContact N-O 2.92Å
99	E	93.2	Very high	90.4	Very high	144 Å²	144	74.9 Å²	74.9	67%	0.673	39%	0.389	S	S	*	.	H	α-helix	trans	-64.3	-49.5	176.3	-173	169.3	-161.3	0	0	110.8	S97 F101 C102 E103	S97-E99 VanDerWaalsContact C-N 3.3Å; S97-E99 PolarHBondContact O-N 2.78Å; S97-E99 PolarHBondContact OG-N 3.21Å; E99-F101 VanDerWaalsContact C-N 3.3Å; E99-F101 PolarHBondContact O-N 2.77Å; E99-C102 PolarHBondContact O-N 3.08Å; E99-E103 WeakPolarHBondContact O-CG 3.29Å; E99-E103 PolarHBondContact O-N 2.87Å
100	E	94.6	Very high	90.5	Very high	99 Å²	99	74.6 Å²	74.6	46%	0.463	39%	0.392	S	S	.	.	H	α-helix	trans	-60.9	-38	175.5	-69.7	170.5	168.2	0	0	112.2	C96 S97 E103 T104	C96-E100 WeakPolarHBondContact CA-OE2 3.24Å; C96-E100 HydrophobicContact CB-CB 3.84Å; C96-E100 VanDerWaalsContact CB-OE2 3.24Å; C96-E100 WeakPolarHBondContact CB-OE2 3.39Å; S97-E100 PolarHBondContact N-OE2 2.8Å; S97-E100 PolarHBondContact O-N 3.33Å; S97-E100 WeakPolarHBondContact OG-CG 3.26Å; S97-E100 PolarHBondContact OG-N 2.98Å; E100-E103 PolarHBondContact O-N 3.07Å; E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 PolarHBondContact O-N 3.4Å; E100-T104 PolarHBondContact O-OG1 3.2Å
101	F	93.4	Very high	90.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-44.8	175.9	-173.4	-87.4	0	0	0	111.8	P83 S97 Y98 E99 T104 W105 L108 A109 Y114 F117 Y120	P83-F101 HydrophobicContact CG-CE2 3.67Å; P83-F101 HydrophobicContact CG-CZ 4.28Å; S97-F101 WeakPolarHBondContact O-CB 3.38Å; S97-F101 PolarHBondContact O-N 3.21Å; Y98-F101 PolarHBondContact O-N 3.04Å; E99-F101 VanDerWaalsContact C-N 3.3Å; E99-F101 PolarHBondContact O-N 2.77Å; F101-T104 PolarHBondContact O-N 3.07Å; F101-W105 AromaticContact CD2-CE3 3.62Å; F101-W105 HydrophobicContact CD2-CE3 3.62Å; F101-W105 AromaticContact CD2-CZ3 3.71Å; F101-W105 HydrophobicContact CD2-CZ3 3.71Å; F101-W105 AromaticContact CE2-CE3 3.84Å; F101-W105 HydrophobicContact CE2-CE3 3.84Å; F101-W105 HydrophobicContact CE2-CZ3 4.12Å; F101-W105 HydrophobicContact CG-CE3 4.07Å; F101-W105 HydrophobicContact CG-CZ3 4.4Å; F101-W105 HydrophobicContact CZ-CE3 4.44Å; F101-W105 PolarHBondContact O-N 3Å; F101-L108 HydrophobicContact CE1-CD2 4.44Å; F101-L108 HydrophobicContact CZ-CD2 3.79Å; F101-L108 HydrophobicContact CZ-CG 4.35Å; F101-A109 HydrophobicContact CD1-CB 4.35Å; F101-A109 HydrophobicContact CE1-CB 4.38Å; F101-Y114 AromaticContact CE1-CD2 3.97Å; F101-Y114 HydrophobicContact CE1-CD2 3.97Å; F101-Y114 HydrophobicContact CE1-CE2 4.44Å; F101-Y114 HydrophobicContact CE1-CG 4.1Å; F101-Y114 HydrophobicContact CZ-CD1 4.15Å; F101-Y114 AromaticContact CZ-CD2 3.77Å; F101-Y114 HydrophobicContact CZ-CD2 3.77Å; F101-Y114 HydrophobicContact CZ-CE1 4.18Å; F101-Y114 AromaticContact CZ-CE2 3.83Å; F101-Y114 HydrophobicContact CZ-CE2 3.83Å; F101-Y114 AromaticContact CZ-CG 3.95Å; F101-Y114 HydrophobicContact CZ-CG 3.95Å; F101-F117 HydrophobicContact CB-CE2 4.19Å; F101-F117 HydrophobicContact CB-CZ 3.76Å; F101-F117 HydrophobicContact CD1-CE1 4.41Å; F101-F117 AromaticContact CD1-CZ 3.95Å; F101-F117 HydrophobicContact CD1-CZ 3.95Å; F101-F117 AromaticContact CD2-CZ 3.86Å; F101-F117 HydrophobicContact CD2-CZ 3.86Å; F101-F117 HydrophobicContact CE2-CZ 4.41Å; F101-F117 HydrophobicContact CG-CE1 4.45Å; F101-F117 HydrophobicContact CG-CE2 4.47Å; F101-F117 AromaticContact CG-CZ 3.6Å; F101-F117 HydrophobicContact CG-CZ 3.6Å; F101-Y120 HydrophobicContact CD2-CD1 4.22Å; F101-Y120 HydrophobicContact CD2-CG 4.22Å; F101-Y120 HydrophobicContact CE2-CD1 4.36Å; F101-Y120 HydrophobicContact CE2-CD2 4.24Å; F101-Y120 HydrophobicContact CE2-CE1 4.28Å; F101-Y120 HydrophobicContact CE2-CE2 4.16Å; F101-Y120 HydrophobicContact CE2-CG 4.34Å
102	C	93.2	Very high	90.2	Very high	39 Å²	39	66.2 Å²	66.2	26%	0.264	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-38.2	177.2	-73	0	0	0	0	112.6	Y98 E99 P106 A109	Y98-C102 WeakPolarHBondContact CE1-SG 3.44Å; Y98-C102 VanDerWaalsContact CZ-SG 3.57Å; Y98-C102 PolarHBondContact O-N 3.36Å; Y98-C102 PolarHBondContact O-SG 3.19Å; E99-C102 PolarHBondContact O-N 3.08Å; C102-P106 VanDerWaalsContact O-CA 3.3Å; C102-P106 WeakPolarHBondContact O-CA 3.17Å; C102-A109 HydrophobicContact CB-CB 4.35Å
103	E	93.6	Very high	90	Very high	148 Å²	148	61.7 Å²	61.7	69%	0.692	35%	0.354	S	S	*	.	H	α-helix	trans	-66.6	-40.9	175.2	-72.6	-173.3	166.3	0	0	112.1	E99 E100	E99-E103 WeakPolarHBondContact O-CG 3.29Å; E99-E103 PolarHBondContact O-N 2.87Å; E100-E103 PolarHBondContact O-N 3.07Å
104	T	92.7	Very high	89.8	Confident	84 Å²	84	59.3 Å²	59.3	52%	0.515	34%	0.339	S	S	.	.	H	α-helix	trans	-79.3	-40.1	-174.7	-51	0	0	0	0	112.5	E100 F101	E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 PolarHBondContact O-N 3.4Å; E100-T104 PolarHBondContact O-OG1 3.2Å; F101-T104 PolarHBondContact O-N 3.07Å
105	W	92.7	Very high	89.4	Confident	30 Å²	30	61.3 Å²	61.3	11%	0.114	35%	0.354	C	S	.	.			trans	-129.9	67.9	-179.5	-54.9	-75.5	0	0	0	112.4	G82 P83 L94 F101 Q107 L108 A109	G82-W105 VanDerWaalsContact C-NE1 3.35Å; P83-W105 HydrophobicContact CB-CH2 4.13Å; P83-W105 HydrophobicContact CB-CZ2 4.15Å; P83-W105 HydrophobicContact CB-CZ3 4.45Å; P83-W105 HydrophobicContact CG-CD2 3.94Å; P83-W105 HydrophobicContact CG-CE3 3.84Å; P83-W105 HydrophobicContact CG-CH2 4Å; P83-W105 HydrophobicContact CG-CZ2 4.09Å; P83-W105 HydrophobicContact CG-CZ3 3.87Å; L94-W105 HydrophobicContact CD1-CH2 3.66Å; L94-W105 HydrophobicContact CD1-CZ2 4.09Å; L94-W105 HydrophobicContact CD2-CH2 3.85Å; L94-W105 HydrophobicContact CD2-CZ3 4.32Å; L94-W105 HydrophobicContact CG-CH2 4.37Å; F101-W105 AromaticContact CD2-CE3 3.62Å; F101-W105 HydrophobicContact CD2-CE3 3.62Å; F101-W105 AromaticContact CD2-CZ3 3.71Å; F101-W105 HydrophobicContact CD2-CZ3 3.71Å; F101-W105 AromaticContact CE2-CE3 3.84Å; F101-W105 HydrophobicContact CE2-CE3 3.84Å; F101-W105 HydrophobicContact CE2-CZ3 4.12Å; F101-W105 HydrophobicContact CG-CE3 4.07Å; F101-W105 HydrophobicContact CG-CZ3 4.4Å; F101-W105 HydrophobicContact CZ-CE3 4.44Å; F101-W105 PolarHBondContact O-N 3Å; W105-Q107 VanDerWaalsContact C-N 3.31Å; W105-Q107 PolarHBondContact O-N 2.8Å; W105-L108 HydrophobicContact CB-CB 3.89Å; W105-L108 HydrophobicContact CB-CD2 4.41Å; W105-L108 PolarHBondContact O-N 3.18Å; W105-L108 VanDerWaalsContact O-N 3.11Å; W105-A109 PolarHBondContact O-N 3.48Å
106	P	90.4	Very high	89.3	Confident	79 Å²	79	63.3 Å²	63.3	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-35.8	-174.3	23.1	-34	0	0	0	113.2	C102 A109 A110	C102-P106 VanDerWaalsContact O-CA 3.3Å; C102-P106 WeakPolarHBondContact O-CA 3.17Å; P106-A109 PolarHBondContact O-N 2.94Å; P106-A110 WeakPolarHBondContact O-CB 3.12Å; P106-A110 PolarHBondContact O-N 2.9Å
107	Q	87.1	Confident	89.2	Confident	143 Å²	143	63 Å²	63	67%	0.668	36%	0.358	S	S	*	.	H	α-helix	trans	-65.8	-39	177.5	-65.9	-179.5	2.8	0	0	111.9	V78 W105 G111	V78-Q107 HydrophobicContact CG1-CB 3.99Å; W105-Q107 VanDerWaalsContact C-N 3.31Å; W105-Q107 PolarHBondContact O-N 2.8Å; Q107-G111 PolarHBondContact O-N 3.22Å
108	L	87.1	Confident	89.2	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-73	-40.1	179.3	-170.6	66.2	0	0	0	111.2	V78 L79 P83 F101 W105 A110 G111 Y114	V78-L108 HydrophobicContact CG1-CB 4.16Å; V78-L108 HydrophobicContact CG1-CD1 4.07Å; L79-L108 HydrophobicContact CD2-CD1 3.88Å; L79-L108 HydrophobicContact CG-CD1 4.21Å; P83-L108 VanDerWaalsContact CD-CD2 3.43Å; P83-L108 HydrophobicContact CG-CD2 4.23Å; F101-L108 HydrophobicContact CE1-CD2 4.44Å; F101-L108 HydrophobicContact CZ-CD2 3.79Å; F101-L108 HydrophobicContact CZ-CG 4.35Å; W105-L108 HydrophobicContact CB-CB 3.89Å; W105-L108 HydrophobicContact CB-CD2 4.41Å; W105-L108 PolarHBondContact O-N 3.18Å; W105-L108 VanDerWaalsContact O-N 3.11Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 3.45Å; L108-G111 PolarHBondContact O-N 3.41Å; L108-Y114 HydrophobicContact CD1-CE2 3.92Å; L108-Y114 HydrophobicContact CD2-CD2 4.4Å; L108-Y114 HydrophobicContact CD2-CE2 3.62Å; L108-Y114 HydrophobicContact CG-CD2 4.02Å; L108-Y114 HydrophobicContact CG-CE2 3.55Å
109	A	86.9	Confident	89.3	Confident	16 Å²	16	61 Å²	61	13%	0.132	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-36.3	174.3	0	0	0	0	0	112.5	F101 C102 W105 P106 G111	F101-A109 HydrophobicContact CD1-CB 4.35Å; F101-A109 HydrophobicContact CE1-CB 4.38Å; C102-A109 HydrophobicContact CB-CB 4.35Å; W105-A109 PolarHBondContact O-N 3.48Å; P106-A109 PolarHBondContact O-N 2.94Å; A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.46Å
110	A	84.6	Confident	89.4	Confident	88 Å²	88	54.2 Å²	54.2	73%	0.727	32%	0.319	S	S	*	.	H	α-helix	trans	-71.2	-23.4	176.4	0	0	0	0	0	113.7	P106 L108 G112	P106-A110 WeakPolarHBondContact O-CB 3.12Å; P106-A110 PolarHBondContact O-N 2.9Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 3.45Å; A110-G112 PolarHBondContact O-N 2.93Å; A110-G112 VanDerWaalsContact O-N 3.13Å
111	G	77.6	Confident	89.5	Confident	46 Å²	46	49.5 Å²	49.5	47%	0.474	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.6	-175.2	0	0	0	0	0	115.5	Q107 L108 A109 L113	Q107-G111 PolarHBondContact O-N 3.22Å; L108-G111 PolarHBondContact O-N 3.41Å; A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.46Å; G111-L113 PolarHBondContact O-N 3.38Å; G111-L113 VanDerWaalsContact O-N 3.12Å
112	G	81.1	Confident	89.6	Confident	49 Å²	49	49.5 Å²	49.5	51%	0.505	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	4	178.4	0	0	0	0	0	115	A110 Y114	A110-G112 PolarHBondContact O-N 2.93Å; A110-G112 VanDerWaalsContact O-N 3.13Å; G112-Y114 VanDerWaalsContact C-N 3.32Å
113	L	82.3	Confident	89.7	Confident	16 Å²	16	47.8 Å²	47.8	8%	0.084	29%	0.285	C	S	.	.	S	Bend	trans	-68.2	-34.2	176.9	-169	67.2	0	0	0	111.8	Y61 Y73 L79 G111 P115	Y61-L113 HydrophobicContact CD1-CD1 3.76Å; Y61-L113 HydrophobicContact CD1-CD2 3.94Å; Y61-L113 HydrophobicContact CD1-CG 4.16Å; Y61-L113 HydrophobicContact CD2-CD2 4.37Å; Y61-L113 HydrophobicContact CE1-CD1 3.67Å; Y61-L113 HydrophobicContact CE1-CD2 4.14Å; Y61-L113 HydrophobicContact CE1-CG 3.95Å; Y61-L113 HydrophobicContact CG-CD2 4.04Å; Y73-L113 HydrophobicContact CD1-CD1 3.76Å; Y73-L113 HydrophobicContact CD1-CD2 3.79Å; Y73-L113 HydrophobicContact CD1-CG 4.37Å; Y73-L113 HydrophobicContact CD2-CD1 4.44Å; Y73-L113 HydrophobicContact CE1-CD1 4.21Å; Y73-L113 HydrophobicContact CE1-CD2 4.08Å; Y73-L113 HydrophobicContact CG-CD1 3.89Å; L79-L113 HydrophobicContact CD2-CD2 3.78Å; G111-L113 PolarHBondContact O-N 3.38Å; G111-L113 VanDerWaalsContact O-N 3.12Å; L113-P115 WeakPolarHBondContact O-CD 3.28Å
114	Y	86.9	Confident	89.8	Confident	6 Å²	6	42.1 Å²	42.1	2%	0.024	26%	0.261	C	S	.	.	S	Bend	trans	-108.7	105.1	-179.7	-62.3	-86.9	0	0	0	110.6	F101 L108 G112 F117 Y120 E136 I138	F101-Y114 AromaticContact CE1-CD2 3.97Å; F101-Y114 HydrophobicContact CE1-CD2 3.97Å; F101-Y114 HydrophobicContact CE1-CE2 4.44Å; F101-Y114 HydrophobicContact CE1-CG 4.1Å; F101-Y114 HydrophobicContact CZ-CD1 4.15Å; F101-Y114 AromaticContact CZ-CD2 3.77Å; F101-Y114 HydrophobicContact CZ-CD2 3.77Å; F101-Y114 HydrophobicContact CZ-CE1 4.18Å; F101-Y114 AromaticContact CZ-CE2 3.83Å; F101-Y114 HydrophobicContact CZ-CE2 3.83Å; F101-Y114 AromaticContact CZ-CG 3.95Å; F101-Y114 HydrophobicContact CZ-CG 3.95Å; L108-Y114 HydrophobicContact CD1-CE2 3.92Å; L108-Y114 HydrophobicContact CD2-CD2 4.4Å; L108-Y114 HydrophobicContact CD2-CE2 3.62Å; L108-Y114 HydrophobicContact CG-CD2 4.02Å; L108-Y114 HydrophobicContact CG-CE2 3.55Å; G112-Y114 VanDerWaalsContact C-N 3.32Å; Y114-F117 HydrophobicContact CD1-CE1 4.2Å; Y114-F117 HydrophobicContact CG-CE1 4.42Å; Y114-Y120 HydrophobicContact CE1-CD2 4.49Å; Y114-Y120 AromaticContact CE1-CE2 3.94Å; Y114-Y120 HydrophobicContact CE1-CE2 3.94Å; Y114-E136 PolarHBondContact OH-OE1 3.46Å; Y114-E136 VanDerWaalsContact OH-OE1 3.06Å; Y114-I138 HydrophobicContact CD1-CD1 4.16Å
115	P	84.8	Confident	89.9	Confident	73 Å²	73	38.1 Å²	38.1	47%	0.474	24%	0.236	S	C	.	.			trans	-59	156	165.2	-18.8	31.4	0	0	0	110.5	L113 F117	L113-P115 WeakPolarHBondContact O-CD 3.28Å; P115-F117 VanDerWaalsContact O-CD1 3.27Å; P115-F117 WeakPolarHBondContact O-CD1 3.44Å; P115-F117 PolarHBondContact O-N 2.93Å
116	K	89.9	Confident	89.7	Confident	162 Å²	162	39 Å²	39	70%	0.704	25%	0.25	S	S	*	.			trans	-53.9	127.1	176.2	-173.5	175.7	-178.5	-179.9	0	110.6	Y98	Y98-K116 HydrophobicContact CD1-CG 3.9Å; Y98-K116 HydrophobicContact CD2-CG 4.45Å; Y98-K116 HydrophobicContact CE1-CB 4.37Å; Y98-K116 HydrophobicContact CE1-CG 3.94Å; Y98-K116 HydrophobicContact CE2-CB 4.39Å; Y98-K116 HydrophobicContact CG-CG 4.17Å
117	F	93.4	Very high	89.4	Confident	7 Å²	7	36.2 Å²	36.2	3%	0.031	23%	0.233	C	C	.	.			trans	-123.5	171.8	177.8	52.2	-106.5	0	0	0	111	Y98 F101 Y114 P115 Y120 I138 R139 Y140	Y98-F117 VanDerWaalsContact CA-CE2 3.44Å; Y98-F117 WeakPolarHBondContact CB-O 3.27Å; Y98-F117 AromaticContact CD2-CD1 3.7Å; Y98-F117 HydrophobicContact CD2-CD1 3.7Å; Y98-F117 AromaticContact CD2-CD2 3.87Å; Y98-F117 HydrophobicContact CD2-CD2 3.87Å; Y98-F117 AromaticContact CD2-CE1 3.6Å; Y98-F117 HydrophobicContact CD2-CE1 3.6Å; Y98-F117 AromaticContact CD2-CE2 3.77Å; Y98-F117 HydrophobicContact CD2-CE2 3.77Å; Y98-F117 AromaticContact CD2-CG 3.83Å; Y98-F117 HydrophobicContact CD2-CG 3.83Å; Y98-F117 AromaticContact CD2-CZ 3.63Å; Y98-F117 HydrophobicContact CD2-CZ 3.63Å; Y98-F117 HydrophobicContact CE2-CD1 4.22Å; Y98-F117 HydrophobicContact CE2-CE1 4.07Å; Y98-F117 HydrophobicContact CE2-CZ 4.43Å; Y98-F117 HydrophobicContact CG-CD2 4.31Å; Y98-F117 HydrophobicContact CG-CE2 4.26Å; Y98-F117 HydrophobicContact CG-CZ 4.5Å; F101-F117 HydrophobicContact CB-CE2 4.19Å; F101-F117 HydrophobicContact CB-CZ 3.76Å; F101-F117 HydrophobicContact CD1-CE1 4.41Å; F101-F117 AromaticContact CD1-CZ 3.95Å; F101-F117 HydrophobicContact CD1-CZ 3.95Å; F101-F117 AromaticContact CD2-CZ 3.86Å; F101-F117 HydrophobicContact CD2-CZ 3.86Å; F101-F117 HydrophobicContact CE2-CZ 4.41Å; F101-F117 HydrophobicContact CG-CE1 4.45Å; F101-F117 HydrophobicContact CG-CE2 4.47Å; F101-F117 AromaticContact CG-CZ 3.6Å; F101-F117 HydrophobicContact CG-CZ 3.6Å; Y114-F117 HydrophobicContact CD1-CE1 4.2Å; Y114-F117 HydrophobicContact CG-CE1 4.42Å; P115-F117 VanDerWaalsContact O-CD1 3.27Å; P115-F117 WeakPolarHBondContact O-CD1 3.44Å; P115-F117 PolarHBondContact O-N 2.93Å; F117-Y120 VanDerWaalsContact CE2-CB 3.45Å; F117-Y120 HydrophobicContact CZ-CD2 4.4Å; F117-Y120 HydrophobicContact CZ-CG 4.31Å; F117-I138 HydrophobicContact CB-CG2 3.39Å; F117-I138 HydrophobicContact CD1-CD1 4.49Å; F117-I138 HydrophobicContact CD1-CG2 4.2Å; F117-I138 HydrophobicContact CG-CG2 3.94Å; F117-R139 WeakPolarHBondContact CB-O 3.28Å; F117-Y140 HydrophobicContact CB-CD1 4.17Å
118	G	93.8	Very high	89	Confident	10 Å²	10	38 Å²	38	10%	0.103	24%	0.242	C	C	.	.	S	Bend	trans	-88.9	-58.3	168.3	0	0	0	0	0	110.4	S97 Y98 R139 D141	S97-G118 WeakPolarHBondContact CA-O 3.41Å; Y98-G118 PolarHBondContact N-O 2.92Å; G118-R139 PolarHBondContact N-O 3.06Å; G118-D141 WeakPolarHBondContact CA-O 3.28Å
119	H	96	Very high	88.7	Confident	35 Å²	35	41.3 Å²	41.3	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.1	179.3	-69	-78.2	0	0	0	113.5	R139 D142 R143 W145	H119-R139 PolarHBondContact N-O 2.85Å; H119-R139 VanDerWaalsContact N-O 3.16Å; H119-R139 PolarHBondContact O-N 2.61Å; H119-D142 IonicContact NE2-OD1 3.84Å; H119-R143 VanDerWaalsContact CD2-C 3.42Å; H119-W145 HydrophobicContact CB-CE3 4.24Å; H119-W145 HydrophobicContact CB-CH2 3.93Å; H119-W145 HydrophobicContact CB-CZ3 3.52Å; H119-W145 WeakPolarHBondContact O-CH2 3.34Å
120	Y	95.4	Very high	88.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.7	173.6	172.2	-89.3	0	0	0	109.9	P83 L94 H95 C96 F101 Y114 F117 L122 E136 I138	P83-Y120 HydrophobicContact CB-CE1 4.12Å; P83-Y120 VanDerWaalsContact CB-OH 3.27Å; P83-Y120 WeakPolarHBondContact CB-OH 3.45Å; P83-Y120 HydrophobicContact CG-CE1 4.23Å; P83-Y120 WeakPolarHBondContact CG-OH 3.32Å; L94-Y120 HydrophobicContact CD2-CD1 3.94Å; L94-Y120 HydrophobicContact CD2-CE1 3.73Å; H95-Y120 CarbonylContact C-O 3.55Å; H95-Y120 WeakPolarHBondContact CA-O 3.13Å; C96-Y120 PolarHBondContact N-O 2.82Å; C96-Y120 PolarHBondContact O-N 2.88Å; F101-Y120 HydrophobicContact CD2-CD1 4.22Å; F101-Y120 HydrophobicContact CD2-CG 4.22Å; F101-Y120 HydrophobicContact CE2-CD1 4.36Å; F101-Y120 HydrophobicContact CE2-CD2 4.24Å; F101-Y120 HydrophobicContact CE2-CE1 4.28Å; F101-Y120 HydrophobicContact CE2-CE2 4.16Å; F101-Y120 HydrophobicContact CE2-CG 4.34Å; Y114-Y120 HydrophobicContact CE1-CD2 4.49Å; Y114-Y120 AromaticContact CE1-CE2 3.94Å; Y114-Y120 HydrophobicContact CE1-CE2 3.94Å; F117-Y120 VanDerWaalsContact CE2-CB 3.45Å; F117-Y120 HydrophobicContact CZ-CD2 4.4Å; F117-Y120 HydrophobicContact CZ-CG 4.31Å; Y120-L122 HydrophobicContact CE1-CB 3.67Å; Y120-E136 HydrophobicContact CE2-CB 4.25Å; Y120-E136 HydrophobicContact CE2-CG 3.85Å; Y120-E136 WeakPolarHBondContact OH-CG 3.31Å; Y120-E136 PolarHBondContact OH-OE1 3.17Å; Y120-I138 HydrophobicContact CD2-CD1 4.42Å; Y120-I138 HydrophobicContact CD2-CG1 4.07Å
121	C	95.9	Very high	88.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.1	174.1	173	0	0	0	0	109.8	T93 L94 E136 F137 W145	T93-C121 VanDerWaalsContact CG2-SG 3.59Å; L94-C121 CarbonylContact O-C 3.58Å; L94-C121 VanDerWaalsContact O-CA 3.29Å; L94-C121 WeakPolarHBondContact O-CA 3.42Å; C121-E136 CarbonylContact O-C 3.52Å; C121-E136 VanDerWaalsContact O-CA 3.28Å; C121-E136 WeakPolarHBondContact O-CA 3.41Å; C121-F137 HydrophobicContact CB-CB 4.33Å; C121-F137 PolarHBondContact N-O 3.07Å; C121-F137 PolarHBondContact O-N 3.21Å; C121-W145 HydrophobicContact CB-CE3 4.05Å; C121-W145 HydrophobicContact CB-CH2 3.68Å; C121-W145 HydrophobicContact CB-CZ2 4.33Å; C121-W145 HydrophobicContact CB-CZ3 3.51Å
122	L	96.1	Very high	89.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.5	173.6	173.7	63.9	0	0	0	109.5	P83 I87 L94 Y120 G134 C135 E136	P83-L122 HydrophobicContact CB-CD2 3.53Å; I87-L122 HydrophobicContact CD1-CD1 4.3Å; I87-L122 HydrophobicContact CD1-CD2 3.94Å; I87-L122 HydrophobicContact CD1-CG 4.04Å; I87-L122 HydrophobicContact CG1-CD2 4.17Å; I87-L122 HydrophobicContact CG2-CD2 3.92Å; I87-L122 HydrophobicContact CG2-CG 4.09Å; L94-L122 HydrophobicContact CB-CB 4.26Å; L94-L122 PolarHBondContact N-O 3.15Å; L94-L122 PolarHBondContact O-N 2.76Å; Y120-L122 HydrophobicContact CE1-CB 3.67Å; L122-G134 VanDerWaalsContact CD1-C 3.49Å; L122-C135 WeakPolarHBondContact CA-O 3.21Å; L122-E136 HydrophobicContact CD1-CG 3.69Å
123	M	95.9	Very high	90.1	Very high	4 Å²	4	42 Å²	42	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.4	177	-64.4	-169.6	168.1	0	0	110.6	T93 L125 G134 C135 F137 F150 L153 Q154 T157	T93-M123 HydrophobicContact CG2-CE 3.99Å; T93-M123 HydrophobicContact CG2-CG 3.75Å; M123-L125 PolarHBondContact O-N 3.48Å; M123-G134 CarbonylContact O-C 3.6Å; M123-G134 WeakPolarHBondContact O-CA 3.28Å; M123-C135 PolarHBondContact N-O 3.4Å; M123-C135 PolarHBondContact O-N 2.85Å; M123-F137 HydrophobicContact CG-CE2 4.34Å; M123-F137 HydrophobicContact SD-CE2 4.06Å; M123-F150 HydrophobicContact CE-CD1 3.68Å; M123-F150 HydrophobicContact CE-CE1 4.43Å; M123-L153 HydrophobicContact CE-CB 3.45Å; M123-L153 VanDerWaalsContact CE-CB 3.45Å; M123-L153 HydrophobicContact CE-CD1 4.23Å; M123-L153 VanDerWaalsContact SD-C 3.55Å; M123-L153 HydrophobicContact SD-CB 3.77Å; M123-Q154 HydrophobicContact SD-CB 4.22Å; M123-Q154 PolarHBondContact SD-N 3Å; M123-Q154 VanDerWaalsContact SD-N 3.43Å; M123-T157 HydrophobicContact CB-CG2 3.7Å; M123-T157 WeakPolarHBondContact CB-OG1 3.37Å; M123-T157 PolarHBondContact SD-OG1 3.44Å; M123-T157 VanDerWaalsContact SD-OG1 3.4Å
124	P	95	Very high	90.7	Very high	29 Å²	29	41.2 Å²	41.2	19%	0.188	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.4	-177.7	26.6	-33.9	0	0	0	111.9	I87 I131 T157	I87-P124 HydrophobicContact CD1-CB 4.4Å; P124-I131 HydrophobicContact CB-CD1 3.72Å; P124-I131 HydrophobicContact CB-CG1 4.11Å; P124-I131 HydrophobicContact CB-CG2 4.26Å; P124-T157 WeakPolarHBondContact O-CG2 3.46Å
125	L	94.5	Very high	91.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.7	166.1	-66	173.8	0	0	0	107.8	I49 L51 M123 I131 F132 G133 C135 T157 V160 S161	I49-L125 HydrophobicContact CG2-CD1 3.8Å; L51-L125 HydrophobicContact CD2-CD1 4.38Å; M123-L125 PolarHBondContact O-N 3.48Å; L125-I131 WeakPolarHBondContact O-CA 3.2Å; L125-F132 HydrophobicContact CB-CD2 4.33Å; L125-F132 HydrophobicContact CB-CE1 4.16Å; L125-F132 HydrophobicContact CB-CE2 3.8Å; L125-F132 HydrophobicContact CB-CZ 3.72Å; L125-F132 HydrophobicContact CD1-CE2 4.21Å; L125-F132 PolarHBondContact O-N 3.39Å; L125-G133 PolarHBondContact N-O 3.4Å; L125-C135 HydrophobicContact CD2-CB 3.92Å; L125-C135 HydrophobicContact CG-CB 4.21Å; L125-T157 HydrophobicContact CD2-CG2 3.8Å; L125-V160 HydrophobicContact CD2-CB 4.32Å; L125-V160 HydrophobicContact CD2-CG1 3.92Å; L125-S161 WeakPolarHBondContact CA-OG 3.27Å; L125-S161 WeakPolarHBondContact CD2-OG 3.2Å
126	A	89.5	Confident	91.7	Very high	49 Å²	49	37.5 Å²	37.5	41%	0.405	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.4	-175.6	0	0	0	0	0	111.6	H130 I131 S161	A126-H130 VanDerWaalsContact CA-O 3.28Å; A126-H130 WeakPolarHBondContact CA-O 3.46Å; A126-I131 HydrophobicContact CB-CG1 4.13Å; A126-S161 PolarHBondContact N-OG 3.37Å
127	A	83.1	Confident	92	Very high	19 Å²	19	29.8 Å²	29.8	16%	0.157	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.3	172.6	0	0	0	0	0	108.6	G129 H130 F132 E165	A127-G129 PolarHBondContact O-N 3Å; A127-H130 PolarHBondContact N-O 2.96Å; A127-H130 PolarHBondContact O-N 2.74Å; A127-F132 HydrophobicContact CB-CD1 4.11Å; A127-F132 HydrophobicContact CB-CE1 3.69Å; A127-E165 VanDerWaalsContact CB-OE2 3.25Å; A127-E165 WeakPolarHBondContact CB-OE2 3.22Å
128	E	79	Confident	92.1	Very high	182 Å²	182	29.8 Å²	29.8	85%	0.85	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	26.6	179.5	-56	-168.5	157.2	0	0	115.4
129	G	80.3	Confident	92.1	Very high	77 Å²	77	29.6 Å²	29.6	79%	0.794	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	1.4	-178.2	0	0	0	0	0	115.4	A127	A127-G129 PolarHBondContact O-N 3Å
130	H	86.7	Confident	92	Very high	141 Å²	141	33.4 Å²	33.4	65%	0.653	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.7	176	-64.6	-62.7	0	0	0	111.6	A126 A127	A126-H130 VanDerWaalsContact CA-O 3.28Å; A126-H130 WeakPolarHBondContact CA-O 3.46Å; A127-H130 PolarHBondContact N-O 2.96Å; A127-H130 PolarHBondContact O-N 2.74Å
131	I	90.5	Very high	91.9	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.195	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119.8	170	-64.9	175.8	0	0	0	108.2	I87 L88 P91 P124 L125 A126 G133	I87-I131 HydrophobicContact CD1-CG2 4.39Å; I87-I131 WeakPolarHBondContact O-CD1 3.14Å; L88-I131 HydrophobicContact CD2-CB 4.2Å; L88-I131 HydrophobicContact CD2-CG2 3.85Å; P91-I131 HydrophobicContact CB-CD1 3.41Å; P91-I131 VanDerWaalsContact CB-CD1 3.41Å; P124-I131 HydrophobicContact CB-CD1 3.72Å; P124-I131 HydrophobicContact CB-CG1 4.11Å; P124-I131 HydrophobicContact CB-CG2 4.26Å; L125-I131 WeakPolarHBondContact O-CA 3.2Å; A126-I131 HydrophobicContact CB-CG1 4.13Å; I131-G133 VanDerWaalsContact CG2-O 3.28Å; I131-G133 WeakPolarHBondContact CG2-O 3.48Å
132	F	91.2	Very high	91.6	Very high	33 Å²	33	43.5 Å²	43.5	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	4.8	179.3	63.3	-94	0	0	0	112.4	L51 W52 L125 A127 T164	L51-F132 HydrophobicContact CD2-CD2 3.97Å; L51-F132 HydrophobicContact CD2-CE2 4.08Å; W52-F132 PolarHBondContact N-O 3.46Å; L125-F132 HydrophobicContact CB-CD2 4.33Å; L125-F132 HydrophobicContact CB-CE1 4.16Å; L125-F132 HydrophobicContact CB-CE2 3.8Å; L125-F132 HydrophobicContact CB-CZ 3.72Å; L125-F132 HydrophobicContact CD1-CE2 4.21Å; L125-F132 PolarHBondContact O-N 3.39Å; A127-F132 HydrophobicContact CB-CD1 4.11Å; A127-F132 HydrophobicContact CB-CE1 3.69Å; F132-T164 HydrophobicContact CE2-CG2 3.69Å; F132-T164 HydrophobicContact CZ-CG2 4.41Å
133	G	93.1	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-162	-179.9	0	0	0	0	0	112.4	V50 I87 L125 I131	V50-G133 CarbonylContact O-C 3.6Å; V50-G133 WeakPolarHBondContact O-CA 3.35Å; I87-G133 VanDerWaalsContact CD1-O 3.28Å; I87-G133 WeakPolarHBondContact CD1-O 3.27Å; L125-G133 PolarHBondContact N-O 3.4Å; I131-G133 VanDerWaalsContact CG2-O 3.28Å; I131-G133 WeakPolarHBondContact CG2-O 3.48Å
134	G	94.7	Very high	91.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.1	171.6	0	0	0	0	0	112.9	V50 L122 M123	V50-G134 PolarHBondContact N-O 3.2Å; V50-G134 PolarHBondContact O-N 2.98Å; L122-G134 VanDerWaalsContact CD1-C 3.49Å; M123-G134 CarbonylContact O-C 3.6Å; M123-G134 WeakPolarHBondContact O-CA 3.28Å
135	C	96.2	Very high	91	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.3	175.9	-171.2	0	0	0	0	108.9	L34 A48 L122 M123 L125 F137 T157	L34-C135 VanDerWaalsContact CD2-SG 3.58Å; A48-C135 CarbonylContact O-C 3.49Å; A48-C135 WeakPolarHBondContact O-CA 3.47Å; L122-C135 WeakPolarHBondContact CA-O 3.21Å; M123-C135 PolarHBondContact N-O 3.4Å; M123-C135 PolarHBondContact O-N 2.85Å; L125-C135 HydrophobicContact CD2-CB 3.92Å; L125-C135 HydrophobicContact CG-CB 4.21Å; C135-F137 HydrophobicContact CB-CE2 4.38Å; C135-F137 HydrophobicContact CB-CZ 4.46Å; C135-F137 WeakPolarHBondContact SG-CZ 3.48Å; C135-T157 HydrophobicContact CB-CG2 3.9Å
136	E	95.5	Very high	91	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142.6	179.6	-66.8	-174.4	166.6	0	0	111.1	A47 A48 V50 Y61 Y114 Y120 C121 L122	A47-E136 CarbonylContact C-O 3.27Å; A47-E136 WeakPolarHBondContact CA-O 3.29Å; A48-E136 HydrophobicContact CB-CB 4.08Å; A48-E136 PolarHBondContact N-O 3.38Å; A48-E136 PolarHBondContact O-N 3.22Å; V50-E136 HydrophobicContact CG2-CG 4.08Å; V50-E136 VanDerWaalsContact CG2-OE1 3.24Å; V50-E136 WeakPolarHBondContact CG2-OE1 3.43Å; Y61-E136 WeakPolarHBondContact CE2-OE2 3.32Å; Y114-E136 PolarHBondContact OH-OE1 3.46Å; Y114-E136 VanDerWaalsContact OH-OE1 3.06Å; Y120-E136 HydrophobicContact CE2-CB 4.25Å; Y120-E136 HydrophobicContact CE2-CG 3.85Å; Y120-E136 WeakPolarHBondContact OH-CG 3.31Å; Y120-E136 PolarHBondContact OH-OE1 3.17Å; C121-E136 CarbonylContact O-C 3.52Å; C121-E136 VanDerWaalsContact O-CA 3.28Å; C121-E136 WeakPolarHBondContact O-CA 3.41Å; L122-E136 HydrophobicContact CD1-CG 3.69Å
137	F	96.3	Very high	91	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.1	170.9	-57.5	-72.7	0	0	0	108.9	L34 V38 A44 N46 A47 C121 M123 C135 W145 L153 F156 T157	L34-F137 HydrophobicContact CD1-CE1 4.47Å; L34-F137 HydrophobicContact CD2-CE1 4.32Å; L34-F137 HydrophobicContact CG-CE1 4.46Å; V38-F137 HydrophobicContact CG1-CD1 4.12Å; V38-F137 HydrophobicContact CG1-CE1 3.78Å; A44-F137 HydrophobicContact CB-CB 3.93Å; A44-F137 HydrophobicContact CB-CD1 4.34Å; N46-F137 WeakPolarHBondContact O-CA 3.33Å; A47-F137 HydrophobicContact CB-CD1 3.85Å; A47-F137 HydrophobicContact CB-CE1 4Å; C121-F137 HydrophobicContact CB-CB 4.33Å; C121-F137 PolarHBondContact N-O 3.07Å; C121-F137 PolarHBondContact O-N 3.21Å; M123-F137 HydrophobicContact CG-CE2 4.34Å; M123-F137 HydrophobicContact SD-CE2 4.06Å; C135-F137 HydrophobicContact CB-CE2 4.38Å; C135-F137 HydrophobicContact CB-CZ 4.46Å; C135-F137 WeakPolarHBondContact SG-CZ 3.48Å; F137-W145 HydrophobicContact CB-CZ2 4.2Å; F137-W145 WeakPolarHBondContact O-CH2 3.27Å; F137-L153 HydrophobicContact CB-CD1 4.32Å; F137-L153 HydrophobicContact CB-CD2 4.39Å; F137-L153 HydrophobicContact CD1-CD2 3.69Å; F137-L153 HydrophobicContact CD2-CB 4.28Å; F137-L153 HydrophobicContact CD2-CD1 3.99Å; F137-L153 HydrophobicContact CD2-CD2 3.85Å; F137-L153 HydrophobicContact CD2-CG 4.27Å; F137-L153 HydrophobicContact CE1-CD2 3.82Å; F137-L153 HydrophobicContact CE2-CB 4.04Å; F137-L153 HydrophobicContact CE2-CD2 3.96Å; F137-L153 HydrophobicContact CE2-CG 4.41Å; F137-L153 HydrophobicContact CG-CD1 4.19Å; F137-L153 HydrophobicContact CG-CD2 3.7Å; F137-L153 HydrophobicContact CG-CG 4.48Å; F137-L153 HydrophobicContact CZ-CD2 3.93Å; F137-F156 HydrophobicContact CZ-CB 4.38Å; F137-T157 WeakPolarHBondContact CE2-OG1 3.41Å
138	I	94.9	Very high	91.3	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.2	-177.4	-63	177.5	0	0	0	109.4	D45 N46 Y114 F117 Y120 Y140	D45-I138 PolarHBondContact N-O 2.84Å; N46-I138 PolarHBondContact N-O 2.8Å; N46-I138 PolarHBondContact O-N 3.03Å; Y114-I138 HydrophobicContact CD1-CD1 4.16Å; F117-I138 HydrophobicContact CB-CG2 3.39Å; F117-I138 HydrophobicContact CD1-CD1 4.49Å; F117-I138 HydrophobicContact CD1-CG2 4.2Å; F117-I138 HydrophobicContact CG-CG2 3.94Å; Y120-I138 HydrophobicContact CD2-CD1 4.42Å; Y120-I138 HydrophobicContact CD2-CG1 4.07Å; I138-Y140 HydrophobicContact CG2-CD1 4.24Å; I138-Y140 HydrophobicContact CG2-CE1 4Å
139	R	95.2	Very high	92	Very high	6 Å²	6	57.5 Å²	57.5	2%	0.023	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.1	163.8	-83.9	-178	178.3	177.1	-2.2	109.8	A42 L43 D45 F117 G118 H119 R143 P144 W145 E149	A42-R139 PolarHBondContact O-NH2 3.24Å; L43-R139 PolarHBondContact O-NE 2.91Å; L43-R139 PolarHBondContact O-NH2 2.86Å; L43-R139 VanDerWaalsContact O-NH2 3.12Å; D45-R139 VanDerWaalsContact OD2-CA 3.32Å; D45-R139 WeakPolarHBondContact OD2-CA 3.5Å; F117-R139 WeakPolarHBondContact CB-O 3.28Å; G118-R139 PolarHBondContact N-O 3.06Å; H119-R139 PolarHBondContact N-O 2.85Å; H119-R139 VanDerWaalsContact N-O 3.16Å; H119-R139 PolarHBondContact O-N 2.61Å; R139-R143 WeakPolarHBondContact CD-O 3.33Å; R139-R143 PolarHBondContact NH1-O 3.42Å; R139-P144 PolarHBondContact NH1-O 2.9Å; R139-W145 HydrophobicContact CB-CH2 4.48Å; R139-W145 HydrophobicContact CB-CZ2 4.28Å; R139-W145 HydrophobicContact CG-CH2 4.4Å; R139-W145 HydrophobicContact CG-CZ2 3.75Å; R139-E149 IonicContact CZ-OE1 2.91Å; R139-E149 IonicContact NH1-OE2 2.72Å; R139-E149 VanDerWaalsContact NH2-CD 3.32Å; R139-E149 IonicContact NH2-OE1 3.21Å; R139-E149 PolarHBondContact NH2-OE1 2.85Å; R139-E149 IonicContact NH2-OE2 3.95Å
140	Y	93.4	Very high	92.6	Very high	116 Å²	116	56.1 Å²	56.1	46%	0.455	27%	0.27	S	S	.	.	S	Bend	trans	-83.6	-19.9	174.2	-62	-55.6	0	0	0	112.4	D45 F117 I138	D45-Y140 HydrophobicContact CB-CD2 3.43Å; D45-Y140 VanDerWaalsContact CB-CD2 3.43Å; D45-Y140 HydrophobicContact CB-CE2 3.68Å; D45-Y140 HydrophobicContact CB-CG 4.32Å; D45-Y140 PolarHBondContact OD2-N 3.5Å; F117-Y140 HydrophobicContact CB-CD1 4.17Å; I138-Y140 HydrophobicContact CG2-CD1 4.24Å; I138-Y140 HydrophobicContact CG2-CE1 4Å
141	D	92.5	Very high	92.7	Very high	79 Å²	79	52.1 Å²	52.1	42%	0.422	25%	0.253	S	S	.	.	S	Bend	trans	-84.4	160.1	169.6	71.5	-1.2	0	0	0	112	G118 R143	G118-D141 WeakPolarHBondContact CA-O 3.28Å; D141-R143 PolarHBondContact O-N 3.36Å; D141-R143 VanDerWaalsContact O-N 3.1Å
142	D	90.9	Very high	92.7	Very high	133 Å²	133	53.4 Å²	53.4	71%	0.711	26%	0.256	S	S	*	.	S	Bend	trans	-86.1	37	-178.9	-160.3	36.3	0	0	0	111.8	H119	H119-D142 IonicContact NE2-OD1 3.84Å
143	R	90.7	Very high	92.8	Very high	124 Å²	124	51.9 Å²	51.9	47%	0.468	25%	0.249	S	C	.	.			trans	-102	111.5	-178.8	-176.3	-172.5	155.9	179.5	-7.4	110.1	H119 R139 D141 E149	H119-R143 VanDerWaalsContact CD2-C 3.42Å; R139-R143 WeakPolarHBondContact CD-O 3.33Å; R139-R143 PolarHBondContact NH1-O 3.42Å; D141-R143 PolarHBondContact O-N 3.36Å; D141-R143 VanDerWaalsContact O-N 3.1Å; R143-E149 IonicContact CZ-OE1 3.84Å; R143-E149 IonicContact NE-OE1 3.71Å; R143-E149 IonicContact NH2-OE1 3.4Å; R143-E149 PolarHBondContact NH2-OE1 2.63Å; R143-E149 IonicContact NH2-OE2 2.87Å
144	P	89.6	Confident	92.7	Very high	81 Å²	81	56.2 Å²	56.2	53%	0.526	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-67.5	155.6	175.7	27.1	-33.9	0	0	0	111.6	R139	R139-P144 PolarHBondContact NH1-O 2.9Å
145	W	93.6	Very high	92.5	Very high	18 Å²	18	58.2 Å²	58.2	7%	0.068	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.8	130.9	172.6	-67.8	-81	0	0	0	110.9	L43 A44 H119 C121 F137 R139 E149 F150 L153	L43-W145 PolarHBondContact O-NE1 3.27Å; A44-W145 HydrophobicContact CB-CZ2 4.39Å; H119-W145 HydrophobicContact CB-CE3 4.24Å; H119-W145 HydrophobicContact CB-CH2 3.93Å; H119-W145 HydrophobicContact CB-CZ3 3.52Å; H119-W145 WeakPolarHBondContact O-CH2 3.34Å; C121-W145 HydrophobicContact CB-CE3 4.05Å; C121-W145 HydrophobicContact CB-CH2 3.68Å; C121-W145 HydrophobicContact CB-CZ2 4.33Å; C121-W145 HydrophobicContact CB-CZ3 3.51Å; F137-W145 HydrophobicContact CB-CZ2 4.2Å; F137-W145 WeakPolarHBondContact O-CH2 3.27Å; R139-W145 HydrophobicContact CB-CH2 4.48Å; R139-W145 HydrophobicContact CB-CZ2 4.28Å; R139-W145 HydrophobicContact CG-CH2 4.4Å; R139-W145 HydrophobicContact CG-CZ2 3.75Å; W145-E149 WeakPolarHBondContact CA-OE2 3.05Å; W145-E149 HydrophobicContact CB-CB 4.23Å; W145-E149 HydrophobicContact CG-CB 4.49Å; W145-F150 HydrophobicContact CB-CD1 4.42Å; W145-F150 HydrophobicContact CB-CD2 3.74Å; W145-F150 HydrophobicContact CB-CE1 4.27Å; W145-F150 HydrophobicContact CB-CE2 3.57Å; W145-F150 HydrophobicContact CB-CG 4.18Å; W145-F150 HydrophobicContact CB-CZ 3.86Å; W145-F150 HydrophobicContact CE3-CE1 4.48Å; W145-F150 HydrophobicContact CE3-CZ 4.27Å; W145-F150 WeakPolarHBondContact O-CE2 3.36Å; W145-L153 HydrophobicContact CD2-CD1 4.26Å; W145-L153 HydrophobicContact CG-CD1 4.16Å
146	S	93	Very high	92.3	Very high	58 Å²	58	58.4 Å²	58.4	41%	0.406	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-70	159.3	164.7	62.2	0	0	0	0	110.9	K148 E149 F150	S146-K148 PolarHBondContact O-N 3.36Å; S146-K148 VanDerWaalsContact O-N 3.17Å; S146-E149 PolarHBondContact N-OE2 2.89Å; S146-E149 WeakPolarHBondContact O-CA 3.49Å; S146-E149 WeakPolarHBondContact O-CB 3.49Å; S146-E149 PolarHBondContact O-N 3.25Å; S146-E149 VanDerWaalsContact OG-CD 3.32Å; S146-E149 VanDerWaalsContact OG-CG 3.27Å; S146-E149 WeakPolarHBondContact OG-CG 3.44Å; S146-E149 PolarHBondContact OG-N 3.48Å; S146-E149 PolarHBondContact OG-OE2 3.32Å; S146-F150 PolarHBondContact O-N 3.13Å
147	E	90.3	Very high	92.2	Very high	160 Å²	160	58.6 Å²	58.6	75%	0.748	28%	0.283	S	S	*	.	H	α-helix	trans	-54.6	-36.7	177.3	-169.2	-178	177.9	0	0	112.7	F150 N151	E147-F150 PolarHBondContact O-N 3.04Å; E147-N151 PolarHBondContact O-N 2.87Å; E147-N151 PolarHBondContact O-ND2 2.92Å
148	K	89.7	Confident	91.9	Very high	116 Å²	116	63.7 Å²	63.7	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-36.5	175.8	-170.7	175.5	-179.8	179.4	0	112.4	D8 S146 R152	D8-K148 IonicContact OD1-NZ 3.73Å; D8-K148 WeakPolarHBondContact OD2-CE 3.24Å; D8-K148 IonicContact OD2-NZ 2.63Å; D8-K148 PolarHBondContact OD2-NZ 2.85Å; S146-K148 PolarHBondContact O-N 3.36Å; S146-K148 VanDerWaalsContact O-N 3.17Å; K148-R152 WeakPolarHBondContact O-CG 3.04Å; K148-R152 PolarHBondContact O-N 3.46Å
149	E	93	Very high	91.7	Very high	20 Å²	20	64.5 Å²	64.5	9%	0.093	31%	0.311	C	S	.	.	H	α-helix	trans	-72.2	-39.7	175.8	-67.4	165.9	134	0	0	111.2	L43 R139 R143 W145 S146 N151 R152 L153	L43-E149 HydrophobicContact CD2-CB 3.86Å; L43-E149 HydrophobicContact CD2-CG 3.86Å; R139-E149 IonicContact CZ-OE1 2.91Å; R139-E149 IonicContact NH1-OE2 2.72Å; R139-E149 VanDerWaalsContact NH2-CD 3.32Å; R139-E149 IonicContact NH2-OE1 3.21Å; R139-E149 PolarHBondContact NH2-OE1 2.85Å; R139-E149 IonicContact NH2-OE2 3.95Å; R143-E149 IonicContact CZ-OE1 3.84Å; R143-E149 IonicContact NE-OE1 3.71Å; R143-E149 IonicContact NH2-OE1 3.4Å; R143-E149 PolarHBondContact NH2-OE1 2.63Å; R143-E149 IonicContact NH2-OE2 2.87Å; W145-E149 WeakPolarHBondContact CA-OE2 3.05Å; W145-E149 HydrophobicContact CB-CB 4.23Å; W145-E149 HydrophobicContact CG-CB 4.49Å; S146-E149 PolarHBondContact N-OE2 2.89Å; S146-E149 WeakPolarHBondContact O-CA 3.49Å; S146-E149 WeakPolarHBondContact O-CB 3.49Å; S146-E149 PolarHBondContact O-N 3.25Å; S146-E149 VanDerWaalsContact OG-CD 3.32Å; S146-E149 VanDerWaalsContact OG-CG 3.27Å; S146-E149 WeakPolarHBondContact OG-CG 3.44Å; S146-E149 PolarHBondContact OG-N 3.48Å; S146-E149 PolarHBondContact OG-OE2 3.32Å; E149-N151 PolarHBondContact O-N 2.91Å; E149-R152 PolarHBondContact O-N 3.28Å; E149-R152 VanDerWaalsContact O-N 3.16Å; E149-L153 WeakPolarHBondContact O-CG 3.25Å; E149-L153 PolarHBondContact O-N 3.11Å
150	F	92.8	Very high	91.6	Very high	47 Å²	47	64.2 Å²	64.2	21%	0.206	31%	0.31	C	S	.	.	H	α-helix	trans	-57.8	-46.3	172.1	-85.8	-64.8	0	0	0	112.1	T93 H95 M123 W145 S146 E147 R152 L153 Q154	T93-F150 HydrophobicContact CG2-CD1 4.46Å; T93-F150 HydrophobicContact CG2-CE1 4.17Å; H95-F150 HydrophobicContact CB-CE1 4.45Å; H95-F150 HydrophobicContact CB-CZ 4.21Å; M123-F150 HydrophobicContact CE-CD1 3.68Å; M123-F150 HydrophobicContact CE-CE1 4.43Å; W145-F150 HydrophobicContact CB-CD1 4.42Å; W145-F150 HydrophobicContact CB-CD2 3.74Å; W145-F150 HydrophobicContact CB-CE1 4.27Å; W145-F150 HydrophobicContact CB-CE2 3.57Å; W145-F150 HydrophobicContact CB-CG 4.18Å; W145-F150 HydrophobicContact CB-CZ 3.86Å; W145-F150 HydrophobicContact CE3-CE1 4.48Å; W145-F150 HydrophobicContact CE3-CZ 4.27Å; W145-F150 WeakPolarHBondContact O-CE2 3.36Å; S146-F150 PolarHBondContact O-N 3.13Å; E147-F150 PolarHBondContact O-N 3.04Å; F150-R152 VanDerWaalsContact C-N 3.26Å; F150-R152 PolarHBondContact O-N 3.5Å; F150-L153 PolarHBondContact O-N 3.27Å; F150-Q154 WeakPolarHBondContact O-CB 3.37Å; F150-Q154 PolarHBondContact O-N 2.8Å
151	N	90.2	Very high	91.6	Very high	57 Å²	57	59 Å²	59	31%	0.305	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-36.2	176.3	-75.6	-44.8	0	0	0	112.6	E147 E149 T155	E147-N151 PolarHBondContact O-N 2.87Å; E147-N151 PolarHBondContact O-ND2 2.92Å; E149-N151 PolarHBondContact O-N 2.91Å; N151-T155 PolarHBondContact O-N 3.46Å; N151-T155 VanDerWaalsContact O-N 3.14Å; N151-T155 PolarHBondContact O-OG1 3.09Å
152	R	89.8	Confident	91.5	Very high	66 Å²	66	59.4 Å²	59.4	25%	0.249	30%	0.296	C	S	.	.	H	α-helix	trans	-70	-45.9	175.2	-74.4	-179.9	175.8	-167.8	0.3	111.8	D8 L43 K148 E149 F150 Q154 T155 F156	D8-R152 IonicContact OD2-CZ 3.81Å; D8-R152 IonicContact OD2-NH2 2.72Å; D8-R152 PolarHBondContact OD2-NH2 2.98Å; L43-R152 HydrophobicContact CD1-CB 3.88Å; L43-R152 HydrophobicContact CD2-CB 4.1Å; K148-R152 WeakPolarHBondContact O-CG 3.04Å; K148-R152 PolarHBondContact O-N 3.46Å; E149-R152 PolarHBondContact O-N 3.28Å; E149-R152 VanDerWaalsContact O-N 3.16Å; F150-R152 VanDerWaalsContact C-N 3.26Å; F150-R152 PolarHBondContact O-N 3.5Å; R152-Q154 VanDerWaalsContact C-N 3.26Å; R152-Q154 PolarHBondContact O-N 2.89Å; R152-T155 WeakPolarHBondContact O-CB 3.3Å; R152-T155 PolarHBondContact O-N 3.13Å; R152-T155 VanDerWaalsContact O-N 3.08Å; R152-F156 WeakPolarHBondContact O-CD2 3.48Å; R152-F156 PolarHBondContact O-N 3.42Å
153	L	93.2	Very high	91.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57	-42.6	174	-73	-179	0	0	0	111	V38 L43 M123 F137 W145 E149 F150 T155 F156 T157	V38-L153 HydrophobicContact CG1-CD2 4.41Å; L43-L153 HydrophobicContact CB-CD2 3.91Å; L43-L153 HydrophobicContact CD1-CD2 4.24Å; M123-L153 HydrophobicContact CE-CB 3.45Å; M123-L153 VanDerWaalsContact CE-CB 3.45Å; M123-L153 HydrophobicContact CE-CD1 4.23Å; M123-L153 VanDerWaalsContact SD-C 3.55Å; M123-L153 HydrophobicContact SD-CB 3.77Å; F137-L153 HydrophobicContact CB-CD1 4.32Å; F137-L153 HydrophobicContact CB-CD2 4.39Å; F137-L153 HydrophobicContact CD1-CD2 3.69Å; F137-L153 HydrophobicContact CD2-CB 4.28Å; F137-L153 HydrophobicContact CD2-CD1 3.99Å; F137-L153 HydrophobicContact CD2-CD2 3.85Å; F137-L153 HydrophobicContact CD2-CG 4.27Å; F137-L153 HydrophobicContact CE1-CD2 3.82Å; F137-L153 HydrophobicContact CE2-CB 4.04Å; F137-L153 HydrophobicContact CE2-CD2 3.96Å; F137-L153 HydrophobicContact CE2-CG 4.41Å; F137-L153 HydrophobicContact CG-CD1 4.19Å; F137-L153 HydrophobicContact CG-CD2 3.7Å; F137-L153 HydrophobicContact CG-CG 4.48Å; F137-L153 HydrophobicContact CZ-CD2 3.93Å; W145-L153 HydrophobicContact CD2-CD1 4.26Å; W145-L153 HydrophobicContact CG-CD1 4.16Å; E149-L153 WeakPolarHBondContact O-CG 3.25Å; E149-L153 PolarHBondContact O-N 3.11Å; F150-L153 PolarHBondContact O-N 3.27Å; L153-T155 VanDerWaalsContact C-N 3.27Å; L153-T155 PolarHBondContact O-N 2.83Å; L153-F156 CarbonylContact O-C 3.53Å; L153-F156 WeakPolarHBondContact O-CA 3.44Å; L153-F156 WeakPolarHBondContact O-CB 3.36Å; L153-F156 PolarHBondContact O-N 3.45Å; L153-F156 VanDerWaalsContact O-N 3.09Å; L153-T157 PolarHBondContact O-N 3.45Å; L153-T157 PolarHBondContact O-OG1 3.12Å; L153-T157 VanDerWaalsContact O-OG1 3.06Å
154	Q	91.7	Very high	91.7	Very high	92 Å²	92	47.3 Å²	47.3	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-38.6	175.7	-172.6	178.2	20.1	0	0	112.2	M123 F150 R152 T157 Q158	M123-Q154 HydrophobicContact SD-CB 4.22Å; M123-Q154 PolarHBondContact SD-N 3Å; M123-Q154 VanDerWaalsContact SD-N 3.43Å; F150-Q154 WeakPolarHBondContact O-CB 3.37Å; F150-Q154 PolarHBondContact O-N 2.8Å; R152-Q154 VanDerWaalsContact C-N 3.26Å; R152-Q154 PolarHBondContact O-N 2.89Å; Q154-T157 PolarHBondContact O-N 3.23Å; Q154-Q158 WeakPolarHBondContact O-CG 3.42Å; Q154-Q158 PolarHBondContact O-N 3.48Å
155	T	89.6	Confident	91.6	Very high	41 Å²	41	47.2 Å²	47.2	25%	0.252	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-42.8	175.1	-52.4	0	0	0	0	111.3	L14 N151 R152 L153 Q158 I159	L14-T155 HydrophobicContact CD2-CG2 3.6Å; N151-T155 PolarHBondContact O-N 3.46Å; N151-T155 VanDerWaalsContact O-N 3.14Å; N151-T155 PolarHBondContact O-OG1 3.09Å; R152-T155 WeakPolarHBondContact O-CB 3.3Å; R152-T155 PolarHBondContact O-N 3.13Å; R152-T155 VanDerWaalsContact O-N 3.08Å; L153-T155 VanDerWaalsContact C-N 3.27Å; L153-T155 PolarHBondContact O-N 2.83Å; T155-Q158 PolarHBondContact O-N 3.18Å; T155-I159 WeakPolarHBondContact O-CG1 3.39Å; T155-I159 PolarHBondContact O-N 3.12Å
156	F	91.6	Very high	91.3	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-47.4	172.2	-83.7	-80.6	0	0	0	111.3	I17 L34 L37 V38 L43 F137 R152 L153 Q158 I159 V160	I17-F156 HydrophobicContact CD1-CE1 4.17Å; I17-F156 HydrophobicContact CD1-CZ 3.84Å; I17-F156 HydrophobicContact CG1-CE1 4.46Å; I17-F156 HydrophobicContact CG2-CD1 4.14Å; I17-F156 HydrophobicContact CG2-CE1 3.64Å; I17-F156 HydrophobicContact CG2-CZ 4.39Å; L34-F156 HydrophobicContact CD1-CB 4.28Å; L34-F156 HydrophobicContact CD1-CD1 3.78Å; L34-F156 HydrophobicContact CD1-CG 4.36Å; L37-F156 HydrophobicContact CB-CE1 3.84Å; L37-F156 HydrophobicContact CB-CZ 4.29Å; L37-F156 HydrophobicContact CD1-CE1 4.3Å; V38-F156 HydrophobicContact CG1-CD2 4.47Å; V38-F156 HydrophobicContact CG1-CG 4.41Å; L43-F156 HydrophobicContact CD1-CD2 3.96Å; L43-F156 HydrophobicContact CD1-CE2 3.64Å; F137-F156 HydrophobicContact CZ-CB 4.38Å; R152-F156 WeakPolarHBondContact O-CD2 3.48Å; R152-F156 PolarHBondContact O-N 3.42Å; L153-F156 CarbonylContact O-C 3.53Å; L153-F156 WeakPolarHBondContact O-CA 3.44Å; L153-F156 WeakPolarHBondContact O-CB 3.36Å; L153-F156 PolarHBondContact O-N 3.45Å; L153-F156 VanDerWaalsContact O-N 3.09Å; F156-Q158 VanDerWaalsContact C-N 3.31Å; F156-Q158 PolarHBondContact O-N 3.44Å; F156-I159 PolarHBondContact O-N 3.12Å; F156-V160 WeakPolarHBondContact O-CB 3.37Å; F156-V160 WeakPolarHBondContact O-CG2 3.36Å; F156-V160 PolarHBondContact O-N 3.43Å
157	T	93.4	Very high	91	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-38	179.5	-56.5	0	0	0	0	112.6	M123 P124 L125 C135 F137 L153 Q154 V160 S161	M123-T157 HydrophobicContact CB-CG2 3.7Å; M123-T157 WeakPolarHBondContact CB-OG1 3.37Å; M123-T157 PolarHBondContact SD-OG1 3.44Å; M123-T157 VanDerWaalsContact SD-OG1 3.4Å; P124-T157 WeakPolarHBondContact O-CG2 3.46Å; L125-T157 HydrophobicContact CD2-CG2 3.8Å; C135-T157 HydrophobicContact CB-CG2 3.9Å; F137-T157 WeakPolarHBondContact CE2-OG1 3.41Å; L153-T157 PolarHBondContact O-N 3.45Å; L153-T157 PolarHBondContact O-OG1 3.12Å; L153-T157 VanDerWaalsContact O-OG1 3.06Å; Q154-T157 PolarHBondContact O-N 3.23Å; T157-V160 PolarHBondContact O-N 3.29Å; T157-S161 WeakPolarHBondContact O-CB 3.36Å; T157-S161 PolarHBondContact O-N 3.01Å; T157-S161 PolarHBondContact O-OG 3.25Å
158	Q	90.5	Very high	90.7	Very high	108 Å²	108	43 Å²	43	51%	0.505	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-44.8	175.6	-75.8	175.9	-9.9	0	0	112	Q154 T155 F156 S161 V162	Q154-Q158 WeakPolarHBondContact O-CG 3.42Å; Q154-Q158 PolarHBondContact O-N 3.48Å; T155-Q158 PolarHBondContact O-N 3.18Å; F156-Q158 VanDerWaalsContact C-N 3.31Å; F156-Q158 PolarHBondContact O-N 3.44Å; Q158-S161 WeakPolarHBondContact O-CB 3.3Å; Q158-S161 PolarHBondContact O-N 3.1Å; Q158-V162 PolarHBondContact O-N 3.49Å
159	I	90.9	Very high	90.4	Very high	23 Å²	23	40.3 Å²	40.3	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-47.8	176.4	-63.6	165.9	0	0	0	109.8	L14 I17 T18 L21 T155 F156 S161 V162 V163	L14-I159 HydrophobicContact CD2-CD1 4.33Å; I17-I159 HydrophobicContact CG2-CD1 4.15Å; T18-I159 HydrophobicContact CG2-CG2 4.18Å; L21-I159 HydrophobicContact CB-CG2 4.37Å; L21-I159 HydrophobicContact CD1-CB 4.36Å; L21-I159 HydrophobicContact CD1-CG2 3.66Å; T155-I159 WeakPolarHBondContact O-CG1 3.39Å; T155-I159 PolarHBondContact O-N 3.12Å; F156-I159 PolarHBondContact O-N 3.12Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.31Å; I159-V162 PolarHBondContact O-N 3.13Å; I159-V163 HydrophobicContact CG2-CG2 4.17Å; I159-V163 VanDerWaalsContact O-CG2 3.29Å; I159-V163 WeakPolarHBondContact O-CG2 3.49Å; I159-V163 PolarHBondContact O-N 3.16Å
160	V	93.9	Very high	89.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-40.6	178	172.9	0	0	0	0	110.6	L21 L30 L34 I49 L125 F156 T157 V162 V163 T164	L21-V160 HydrophobicContact CD1-CG2 4.21Å; L30-V160 HydrophobicContact CD2-CG1 4.39Å; L34-V160 HydrophobicContact CD1-CG2 3.72Å; L34-V160 HydrophobicContact CD2-CG1 4.49Å; L34-V160 HydrophobicContact CD2-CG2 3.76Å; L34-V160 HydrophobicContact CG-CG2 4.3Å; I49-V160 HydrophobicContact CD1-CG1 3.69Å; I49-V160 HydrophobicContact CG1-CG1 4.12Å; L125-V160 HydrophobicContact CD2-CB 4.32Å; L125-V160 HydrophobicContact CD2-CG1 3.92Å; F156-V160 WeakPolarHBondContact O-CB 3.37Å; F156-V160 WeakPolarHBondContact O-CG2 3.36Å; F156-V160 PolarHBondContact O-N 3.43Å; T157-V160 PolarHBondContact O-N 3.29Å; V160-V162 VanDerWaalsContact C-N 3.34Å; V160-V162 PolarHBondContact O-N 3.01Å; V160-V163 PolarHBondContact O-N 3.13Å; V160-T164 WeakPolarHBondContact O-CB 3.46Å; V160-T164 PolarHBondContact O-N 3.27Å; V160-T164 PolarHBondContact O-OG1 3.01Å
161	S	93.6	Very high	88.8	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-54.1	-50	176.8	-59.4	0	0	0	0	111.8	L125 A126 T157 Q158 I159 E165	L125-S161 WeakPolarHBondContact CA-OG 3.27Å; L125-S161 WeakPolarHBondContact CD2-OG 3.2Å; A126-S161 PolarHBondContact N-OG 3.37Å; T157-S161 WeakPolarHBondContact O-CB 3.36Å; T157-S161 PolarHBondContact O-N 3.01Å; T157-S161 PolarHBondContact O-OG 3.25Å; Q158-S161 WeakPolarHBondContact O-CB 3.3Å; Q158-S161 PolarHBondContact O-N 3.1Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.31Å; S161-E165 WeakPolarHBondContact O-CB 3.36Å; S161-E165 PolarHBondContact O-N 2.78Å; S161-E165 VanDerWaalsContact O-N 3.08Å
162	V	90.6	Very high	87.8	Confident	87 Å²	87	47.7 Å²	47.7	53%	0.527	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-43.4	179.2	178.7	0	0	0	0	111.5	Q158 I159 V160 Q166	Q158-V162 PolarHBondContact O-N 3.49Å; I159-V162 PolarHBondContact O-N 3.13Å; V160-V162 VanDerWaalsContact C-N 3.34Å; V160-V162 PolarHBondContact O-N 3.01Å; V162-Q166 WeakPolarHBondContact O-CB 3.4Å; V162-Q166 PolarHBondContact O-N 3.07Å
163	V	91.7	Very high	87.1	Confident	2 Å²	2	49 Å²	49	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-42.6	-179.4	-179.1	0	0	0	0	111.4	L21 L22 L30 I159 V160 Q166 I167	L21-V163 HydrophobicContact CB-CG2 4.04Å; L21-V163 VanDerWaalsContact O-CG1 3.29Å; L21-V163 WeakPolarHBondContact O-CG1 3.49Å; L22-V163 HydrophobicContact CD2-CG2 3.66Å; L22-V163 HydrophobicContact CG-CG2 3.93Å; L30-V163 HydrophobicContact CD1-CB 4.36Å; L30-V163 HydrophobicContact CD1-CG1 3.75Å; L30-V163 HydrophobicContact CD2-CB 4.37Å; L30-V163 HydrophobicContact CD2-CG1 3.99Å; I159-V163 HydrophobicContact CG2-CG2 4.17Å; I159-V163 VanDerWaalsContact O-CG2 3.29Å; I159-V163 WeakPolarHBondContact O-CG2 3.49Å; I159-V163 PolarHBondContact O-N 3.16Å; V160-V163 PolarHBondContact O-N 3.13Å; V163-Q166 PolarHBondContact O-N 3.31Å; V163-I167 HydrophobicContact CG1-CD1 3.94Å; V163-I167 HydrophobicContact CG1-CG1 4.36Å; V163-I167 WeakPolarHBondContact O-CG1 3.29Å; V163-I167 PolarHBondContact O-N 3.29Å
164	T	92.4	Very high	86.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-47.3	177.6	-64.5	0	0	0	0	111	L27 L30 I49 L51 F132 V160 Q166 I167 Q168	L27-T164 HydrophobicContact CD2-CG2 3.78Å; L30-T164 WeakPolarHBondContact CD2-OG1 3.36Å; I49-T164 HydrophobicContact CG2-CG2 4.46Å; L51-T164 HydrophobicContact CD1-CG2 4.43Å; L51-T164 HydrophobicContact CD2-CG2 3.69Å; F132-T164 HydrophobicContact CE2-CG2 3.69Å; F132-T164 HydrophobicContact CZ-CG2 4.41Å; V160-T164 WeakPolarHBondContact O-CB 3.46Å; V160-T164 PolarHBondContact O-N 3.27Å; V160-T164 PolarHBondContact O-OG1 3.01Å; T164-Q166 VanDerWaalsContact C-N 3.31Å; T164-Q166 PolarHBondContact O-N 2.87Å; T164-I167 PolarHBondContact O-N 3.25Å; T164-Q168 WeakPolarHBondContact O-CG 3.42Å; T164-Q168 PolarHBondContact O-N 3.25Å
165	E	88.2	Confident	85.3	Confident	79 Å²	79	53.1 Å²	53.1	37%	0.369	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-43.6	175.3	-175.3	-178	-166.9	0	0	111.4	A127 S161 I167 Q168 S169	A127-E165 VanDerWaalsContact CB-OE2 3.25Å; A127-E165 WeakPolarHBondContact CB-OE2 3.22Å; S161-E165 WeakPolarHBondContact O-CB 3.36Å; S161-E165 PolarHBondContact O-N 2.78Å; S161-E165 VanDerWaalsContact O-N 3.08Å; E165-I167 PolarHBondContact O-N 3.48Å; E165-Q168 PolarHBondContact O-N 3.47Å; E165-S169 WeakPolarHBondContact O-CB 3.29Å; E165-S169 PolarHBondContact O-N 3.3Å
166	Q	87.3	Confident	84.6	Confident	73 Å²	73	54.9 Å²	54.9	34%	0.341	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-42.8	177.7	-171.2	179.1	19.3	0	0	112.6	V162 V163 T164 S169 R170	V162-Q166 WeakPolarHBondContact O-CB 3.4Å; V162-Q166 PolarHBondContact O-N 3.07Å; V163-Q166 PolarHBondContact O-N 3.31Å; T164-Q166 VanDerWaalsContact C-N 3.31Å; T164-Q166 PolarHBondContact O-N 2.87Å; Q166-S169 PolarHBondContact O-N 3.33Å; Q166-R170 WeakPolarHBondContact O-CG 3.16Å; Q166-R170 PolarHBondContact O-N 3.4Å
167	I	87.4	Confident	83.7	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-45.4	176.7	-69	174.1	0	0	0	110	L27 L30 V163 T164 E165 S169 R170 V171	L27-I167 HydrophobicContact CD2-CB 4.29Å; L27-I167 HydrophobicContact CD2-CG2 4.06Å; L27-I167 HydrophobicContact CG-CG2 4Å; L30-I167 HydrophobicContact CB-CD1 4.18Å; L30-I167 HydrophobicContact CD2-CD1 4.04Å; V163-I167 HydrophobicContact CG1-CD1 3.94Å; V163-I167 HydrophobicContact CG1-CG1 4.36Å; V163-I167 WeakPolarHBondContact O-CG1 3.29Å; V163-I167 PolarHBondContact O-N 3.29Å; T164-I167 PolarHBondContact O-N 3.25Å; E165-I167 PolarHBondContact O-N 3.48Å; I167-S169 VanDerWaalsContact C-N 3.35Å; I167-S169 PolarHBondContact O-N 3.48Å; I167-R170 PolarHBondContact O-N 2.94Å; I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 3.24Å; I167-V171 VanDerWaalsContact O-N 3.12Å
168	Q	83.7	Confident	82.7	Confident	69 Å²	69	66.9 Å²	66.9	32%	0.322	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-45.5	176.1	-73.2	-176.3	-73.6	0	0	111.6	L51 T164 E165 R170 V171 V172	L51-Q168 HydrophobicContact CD1-CG 4.3Å; T164-Q168 WeakPolarHBondContact O-CG 3.42Å; T164-Q168 PolarHBondContact O-N 3.25Å; E165-Q168 PolarHBondContact O-N 3.47Å; Q168-R170 PolarHBondContact O-N 3.35Å; Q168-V171 PolarHBondContact O-N 2.82Å; Q168-V172 WeakPolarHBondContact O-CG2 3.33Å; Q168-V172 PolarHBondContact O-N 3.2Å
169	S	82.1	Confident	82	Confident	60 Å²	60	65.9 Å²	65.9	42%	0.42	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-41.5	177.9	-176.9	0	0	0	0	112.4	E165 Q166 I167 V171 N173	E165-S169 WeakPolarHBondContact O-CB 3.29Å; E165-S169 PolarHBondContact O-N 3.3Å; Q166-S169 PolarHBondContact O-N 3.33Å; I167-S169 VanDerWaalsContact C-N 3.35Å; I167-S169 PolarHBondContact O-N 3.48Å; S169-V171 PolarHBondContact O-N 3.31Å; S169-N173 VanDerWaalsContact O-CB 3.29Å; S169-N173 WeakPolarHBondContact O-CB 3.43Å; S169-N173 PolarHBondContact O-N 2.64Å; S169-N173 PolarHBondContact O-ND2 3.31Å; S169-N173 VanDerWaalsContact O-ND2 3.1Å; S169-N173 PolarHBondContact OG-ND2 3.4Å
170	R	79.2	Confident	81.3	Confident	116 Å²	116	69.9 Å²	69.9	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-41.7	176	-73	175.6	-172.1	173.3	7.8	112.5	Q166 I167 Q168 N174	Q166-R170 WeakPolarHBondContact O-CG 3.16Å; Q166-R170 PolarHBondContact O-N 3.4Å; I167-R170 PolarHBondContact O-N 2.94Å; Q168-R170 PolarHBondContact O-N 3.35Å; R170-N174 WeakPolarHBondContact O-CB 2.95Å; R170-N174 PolarHBondContact O-N 3.13Å; R170-N174 VanDerWaalsContact O-N 3.16Å; R170-N174 PolarHBondContact O-ND2 3.13Å
171	V	73.3	Confident	80.7	Confident	83 Å²	83	71 Å²	71	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-67.4	-47.8	-179.8	173.8	0	0	0	0	111	I167 Q168 S169 N174 V175	I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 3.24Å; I167-V171 VanDerWaalsContact O-N 3.12Å; Q168-V171 PolarHBondContact O-N 2.82Å; S169-V171 PolarHBondContact O-N 3.31Å; V171-N174 PolarHBondContact O-N 2.91Å; V171-V175 WeakPolarHBondContact O-CG2 3.18Å; V171-V175 PolarHBondContact O-N 2.83Å; V171-V175 VanDerWaalsContact O-N 3.13Å
172	V	70.1	Confident	80	Confident	80 Å²	80	78.3 Å²	78.3	49%	0.485	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-48.9	179	174.1	0	0	0	0	110.8	Q168 N174 V175 D176	Q168-V172 WeakPolarHBondContact O-CG2 3.33Å; Q168-V172 PolarHBondContact O-N 3.2Å; V172-N174 VanDerWaalsContact C-N 3.25Å; V172-N174 PolarHBondContact O-N 3.17Å; V172-V175 PolarHBondContact O-N 2.85Å; V172-V175 VanDerWaalsContact O-N 3.13Å; V172-D176 PolarHBondContact O-N 2.92Å
173	N	74.6	Confident	79.5	Confident	92 Å²	92	79.1 Å²	79.1	49%	0.492	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-33.9	179.8	-71.6	-24.4	0	0	0	112.8	S169 Y177	S169-N173 VanDerWaalsContact O-CB 3.29Å; S169-N173 WeakPolarHBondContact O-CB 3.43Å; S169-N173 PolarHBondContact O-N 2.64Å; S169-N173 PolarHBondContact O-ND2 3.31Å; S169-N173 VanDerWaalsContact O-ND2 3.1Å; S169-N173 PolarHBondContact OG-ND2 3.4Å; N173-Y177 WeakPolarHBondContact O-CB 3.47Å; N173-Y177 PolarHBondContact O-N 2.89Å
174	N	74.7	Confident	79.1	Confident	103 Å²	103	84 Å²	84	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-70.1	-43	175.9	-79.5	-16.1	0	0	0	112.1	R170 V171 V172 Y177 E178	R170-N174 WeakPolarHBondContact O-CB 2.95Å; R170-N174 PolarHBondContact O-N 3.13Å; R170-N174 VanDerWaalsContact O-N 3.16Å; R170-N174 PolarHBondContact O-ND2 3.13Å; V171-N174 PolarHBondContact O-N 2.91Å; V172-N174 VanDerWaalsContact C-N 3.25Å; V172-N174 PolarHBondContact O-N 3.17Å; N174-Y177 PolarHBondContact O-N 3.38Å; N174-E178 WeakPolarHBondContact O-CG 3.36Å; N174-E178 PolarHBondContact O-N 2.75Å
175	V	72.4	Confident	78.7	Confident	76 Å²	76	87 Å²	87	46%	0.461	43%	0.426	S	S	.	.	H	α-helix	trans	-63.6	-45.5	177.2	174	0	0	0	0	110.6	V171 V172 Y177 E178 L179	V171-V175 WeakPolarHBondContact O-CG2 3.18Å; V171-V175 PolarHBondContact O-N 2.83Å; V171-V175 VanDerWaalsContact O-N 3.13Å; V172-V175 PolarHBondContact O-N 2.85Å; V172-V175 VanDerWaalsContact O-N 3.13Å; V175-Y177 VanDerWaalsContact C-N 3.32Å; V175-Y177 PolarHBondContact O-N 3.39Å; V175-E178 PolarHBondContact O-N 2.91Å; V175-L179 HydrophobicContact CG1-CD1 3.92Å; V175-L179 HydrophobicContact CG1-CG 4.5Å; V175-L179 WeakPolarHBondContact O-CB 3.36Å; V175-L179 WeakPolarHBondContact O-CG 3.48Å; V175-L179 PolarHBondContact O-N 3.28Å
176	D	74.3	Confident	78.5	Confident	78 Å²	78	85.4 Å²	85.4	42%	0.417	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-41.4	175.9	-70.8	-19.1	0	0	0	111.1	V172 L179 L180	V172-D176 PolarHBondContact O-N 2.92Å; D176-L179 PolarHBondContact O-N 3.46Å; D176-L180 VanDerWaalsContact O-CB 3.31Å; D176-L180 WeakPolarHBondContact O-CB 3.31Å; D176-L180 WeakPolarHBondContact O-CG 3.38Å; D176-L180 PolarHBondContact O-N 2.87Å
177	Y	72.5	Confident	78.4	Confident	149 Å²	149	87.6 Å²	87.6	58%	0.584	43%	0.428	S	S	*	.	H	α-helix	trans	-63.1	-41.9	176	-177.9	-95	0	0	0	112.6	N173 N174 V175 L180 C181	N173-Y177 WeakPolarHBondContact O-CB 3.47Å; N173-Y177 PolarHBondContact O-N 2.89Å; N174-Y177 PolarHBondContact O-N 3.38Å; V175-Y177 VanDerWaalsContact C-N 3.32Å; V175-Y177 PolarHBondContact O-N 3.39Å; Y177-L180 PolarHBondContact O-N 3.42Å; Y177-C181 WeakPolarHBondContact CE1-SG 3.46Å; Y177-C181 WeakPolarHBondContact O-CB 3.35Å; Y177-C181 PolarHBondContact O-N 3.49Å; Y177-C181 PolarHBondContact O-SG 3.33Å
178	E	72.8	Confident	78.4	Confident	113 Å²	113	94.8 Å²	94.8	53%	0.528	46%	0.455	S	S	.	.	H	α-helix	trans	-65.8	-42.7	175.8	-76.4	-177.1	-171.8	0	0	112.1	N174 V175 C181 R182	N174-E178 WeakPolarHBondContact O-CG 3.36Å; N174-E178 PolarHBondContact O-N 2.75Å; V175-E178 PolarHBondContact O-N 2.91Å; E178-C181 PolarHBondContact O-N 3.18Å; E178-R182 WeakPolarHBondContact O-CG 3.37Å; E178-R182 PolarHBondContact O-N 2.91Å
179	L	75.8	Confident	78.6	Confident	87 Å²	87	92.9 Å²	92.9	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-48.4	174.3	-75.4	166	0	0	0	110.9	V175 D176 C181 R182 E183	V175-L179 HydrophobicContact CG1-CD1 3.92Å; V175-L179 HydrophobicContact CG1-CG 4.5Å; V175-L179 WeakPolarHBondContact O-CB 3.36Å; V175-L179 WeakPolarHBondContact O-CG 3.48Å; V175-L179 PolarHBondContact O-N 3.28Å; D176-L179 PolarHBondContact O-N 3.46Å; L179-C181 VanDerWaalsContact C-N 3.33Å; L179-C181 PolarHBondContact O-N 3.36Å; L179-R182 PolarHBondContact O-N 3.39Å; L179-E183 PolarHBondContact O-N 2.94Å
180	L	77.7	Confident	78.9	Confident	107 Å²	107	90.9 Å²	90.9	56%	0.56	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-38.4	176.5	-73.4	170	0	0	0	112.2	D176 Y177 R184	D176-L180 VanDerWaalsContact O-CB 3.31Å; D176-L180 WeakPolarHBondContact O-CB 3.31Å; D176-L180 WeakPolarHBondContact O-CG 3.38Å; D176-L180 PolarHBondContact O-N 2.87Å; Y177-L180 PolarHBondContact O-N 3.42Å; L180-R184 VanDerWaalsContact O-CB 3.24Å; L180-R184 WeakPolarHBondContact O-CB 3.24Å; L180-R184 PolarHBondContact O-N 2.89Å
181	C	80	Confident	79.2	Confident	24 Å²	24	89.3 Å²	89.3	16%	0.162	44%	0.435	C	S	.	.	H	α-helix	trans	-63.7	-44.3	174.3	-75	0	0	0	0	111.5	Y177 E178 L179 R184 D185	Y177-C181 WeakPolarHBondContact CE1-SG 3.46Å; Y177-C181 WeakPolarHBondContact O-CB 3.35Å; Y177-C181 PolarHBondContact O-N 3.49Å; Y177-C181 PolarHBondContact O-SG 3.33Å; E178-C181 PolarHBondContact O-N 3.18Å; L179-C181 VanDerWaalsContact C-N 3.33Å; L179-C181 PolarHBondContact O-N 3.36Å; C181-R184 WeakPolarHBondContact O-CB 3.49Å; C181-R184 PolarHBondContact O-N 2.73Å; C181-D185 WeakPolarHBondContact O-CB 3.06Å; C181-D185 PolarHBondContact O-N 3.39Å
182	R	79	Confident	79.8	Confident	160 Å²	160	86.8 Å²	86.8	60%	0.604	42%	0.422	S	S	*	.	H	α-helix	trans	-63.5	-44.5	176.7	-74.1	178.8	-178.3	172.3	5.1	112.1	E178 L179 D185 N186	E178-R182 WeakPolarHBondContact O-CG 3.37Å; E178-R182 PolarHBondContact O-N 2.91Å; L179-R182 PolarHBondContact O-N 3.39Å; R182-D185 PolarHBondContact O-N 2.87Å; R182-N186 VanDerWaalsContact O-CG 3.25Å; R182-N186 PolarHBondContact O-N 3.18Å
183	E	81.3	Confident	80.5	Confident	105 Å²	105	83 Å²	83	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-61.8	-45.5	175.4	-75	-174.2	171.4	0	0	111.6	L179 D185 N186 F187	L179-E183 PolarHBondContact O-N 2.94Å; E183-D185 VanDerWaalsContact C-N 3.28Å; E183-D185 PolarHBondContact O-N 3.32Å; E183-N186 WeakPolarHBondContact O-CB 3.5Å; E183-N186 PolarHBondContact O-N 3.3Å; E183-F187 HydrophobicContact CB-CE2 4.28Å; E183-F187 WeakPolarHBondContact O-CD2 2.98Å; E183-F187 WeakPolarHBondContact O-CG 3.49Å; E183-F187 PolarHBondContact O-N 3.34Å
184	R	82.4	Confident	81.1	Confident	105 Å²	105	80 Å²	80	40%	0.396	38%	0.384	S	S	.	.	H	α-helix	trans	-56.4	-44.1	175	-179	-157.2	69.2	-156.7	-5.4	111.5	L180 C181 F187 R188	L180-R184 VanDerWaalsContact O-CB 3.24Å; L180-R184 WeakPolarHBondContact O-CB 3.24Å; L180-R184 PolarHBondContact O-N 2.89Å; C181-R184 WeakPolarHBondContact O-CB 3.49Å; C181-R184 PolarHBondContact O-N 2.73Å; R184-F187 PolarHBondContact O-N 2.91Å; R184-R188 WeakPolarHBondContact O-CG 3.44Å; R184-R188 PolarHBondContact O-N 3.39Å
185	D	83.2	Confident	81.7	Confident	63 Å²	63	80 Å²	80	34%	0.337	38%	0.384	S	S	.	.	H	α-helix	trans	-69.6	-39.7	-178.8	-65.7	-16.9	0	0	0	111.1	C181 R182 E183 F187 R188 I189	C181-D185 WeakPolarHBondContact O-CB 3.06Å; C181-D185 PolarHBondContact O-N 3.39Å; R182-D185 PolarHBondContact O-N 2.87Å; E183-D185 VanDerWaalsContact C-N 3.28Å; E183-D185 PolarHBondContact O-N 3.32Å; D185-F187 PolarHBondContact O-N 3.44Å; D185-R188 WeakPolarHBondContact O-CB 3.48Å; D185-R188 PolarHBondContact O-N 3.36Å; D185-R188 VanDerWaalsContact O-N 3.16Å; D185-I189 WeakPolarHBondContact O-CG1 3.5Å; D185-I189 PolarHBondContact O-N 2.95Å
186	N	85.8	Confident	82.2	Confident	44 Å²	44	77.2 Å²	77.2	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-58.5	-44.3	171.1	-70.5	-13.1	0	0	0	112.2	R182 E183 R188 I189 L190 L332	R182-N186 VanDerWaalsContact O-CG 3.25Å; R182-N186 PolarHBondContact O-N 3.18Å; E183-N186 WeakPolarHBondContact O-CB 3.5Å; E183-N186 PolarHBondContact O-N 3.3Å; N186-R188 VanDerWaalsContact C-N 3.32Å; N186-R188 PolarHBondContact O-N 3.26Å; N186-I189 PolarHBondContact O-N 3.29Å; N186-L190 WeakPolarHBondContact O-CB 3.27Å; N186-L190 PolarHBondContact O-N 3.01Å; N186-L332 HydrophobicContact CB-CD1 4.23Å; N186-L332 HydrophobicContact CB-CD2 4.24Å
187	F	84.7	Confident	82.8	Confident	119 Å²	119	73.6 Å²	73.6	52%	0.522	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-36.7	176.1	-72.8	-54.4	0	0	0	112.4	E183 R184 D185 L190 V191	E183-F187 HydrophobicContact CB-CE2 4.28Å; E183-F187 WeakPolarHBondContact O-CD2 2.98Å; E183-F187 WeakPolarHBondContact O-CG 3.49Å; E183-F187 PolarHBondContact O-N 3.34Å; R184-F187 PolarHBondContact O-N 2.91Å; D185-F187 PolarHBondContact O-N 3.44Å; F187-L190 PolarHBondContact O-N 3.46Å; F187-V191 WeakPolarHBondContact O-CB 3.32Å; F187-V191 VanDerWaalsContact O-CG2 3.3Å; F187-V191 WeakPolarHBondContact O-CG2 3.36Å; F187-V191 PolarHBondContact O-N 3.37Å
188	R	87.5	Confident	83.3	Confident	157 Å²	157	71.1 Å²	71.1	59%	0.592	35%	0.346	S	S	*	.	H	α-helix	trans	-63.7	-44.4	175.5	-77.1	174.5	168.3	-176.9	-5	111.9	R184 D185 N186 V191 A192	R184-R188 WeakPolarHBondContact O-CG 3.44Å; R184-R188 PolarHBondContact O-N 3.39Å; D185-R188 WeakPolarHBondContact O-CB 3.48Å; D185-R188 PolarHBondContact O-N 3.36Å; D185-R188 VanDerWaalsContact O-N 3.16Å; N186-R188 VanDerWaalsContact C-N 3.32Å; N186-R188 PolarHBondContact O-N 3.26Å; R188-V191 PolarHBondContact O-N 3.42Å; R188-A192 WeakPolarHBondContact O-CB 3.4Å; R188-A192 PolarHBondContact O-N 2.93Å
189	I	88	Confident	83.6	Confident	29 Å²	29	70 Å²	70	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-48.8	175.5	-65.1	169.3	0	0	0	109.8	D185 N186 V191 A192 I193 Y217 L332 I336	D185-I189 WeakPolarHBondContact O-CG1 3.5Å; D185-I189 PolarHBondContact O-N 2.95Å; N186-I189 PolarHBondContact O-N 3.29Å; I189-V191 VanDerWaalsContact C-N 3.35Å; I189-V191 PolarHBondContact O-N 3.08Å; I189-A192 PolarHBondContact O-N 2.95Å; I189-I193 HydrophobicContact CG2-CD1 3.71Å; I189-I193 HydrophobicContact CG2-CG1 4.45Å; I189-I193 WeakPolarHBondContact O-CG1 3.36Å; I189-I193 PolarHBondContact O-N 3.16Å; I189-Y217 HydrophobicContact CD1-CD1 3.98Å; I189-Y217 HydrophobicContact CD1-CG 4.35Å; I189-Y217 HydrophobicContact CG1-CD1 3.67Å; I189-Y217 HydrophobicContact CG1-CE1 3.78Å; I189-Y217 HydrophobicContact CG1-CG 4.11Å; I189-Y217 HydrophobicContact CG2-CD1 4.3Å; I189-Y217 HydrophobicContact CG2-CD2 3.79Å; I189-Y217 HydrophobicContact CG2-CE2 4.18Å; I189-Y217 HydrophobicContact CG2-CG 3.87Å; I189-L332 HydrophobicContact CB-CD2 4.32Å; I189-L332 HydrophobicContact CD1-CD2 4.08Å; I189-L332 HydrophobicContact CG2-CD2 4.15Å; I189-I336 HydrophobicContact CG2-CD1 4.4Å
190	L	87.2	Confident	84.2	Confident	19 Å²	19	68.8 Å²	68.8	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-44.2	180	-173.9	65.7	0	0	0	112.2	N186 F187 T194 L332 Q335 I336 R339	N186-L190 WeakPolarHBondContact O-CB 3.27Å; N186-L190 PolarHBondContact O-N 3.01Å; F187-L190 PolarHBondContact O-N 3.46Å; L190-T194 VanDerWaalsContact O-CB 3.29Å; L190-T194 WeakPolarHBondContact O-CB 3.34Å; L190-T194 PolarHBondContact O-N 3.01Å; L190-T194 PolarHBondContact O-OG1 2.9Å; L190-L332 HydrophobicContact CB-CD1 4.41Å; L190-Q335 HydrophobicContact CD1-CB 3.95Å; L190-Q335 HydrophobicContact CD2-CB 4.5Å; L190-I336 HydrophobicContact CD1-CG1 4.24Å; L190-R339 HydrophobicContact CD1-CG 4.15Å
191	V	85.9	Confident	84.6	Confident	83 Å²	83	67.3 Å²	67.3	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-66.3	-42.4	177.3	170.5	0	0	0	0	111.5	F187 R188 I189 T194 N195	F187-V191 WeakPolarHBondContact O-CB 3.32Å; F187-V191 VanDerWaalsContact O-CG2 3.3Å; F187-V191 WeakPolarHBondContact O-CG2 3.36Å; F187-V191 PolarHBondContact O-N 3.37Å; R188-V191 PolarHBondContact O-N 3.42Å; I189-V191 VanDerWaalsContact C-N 3.35Å; I189-V191 PolarHBondContact O-N 3.08Å; V191-T194 PolarHBondContact O-N 3.47Å; V191-N195 WeakPolarHBondContact O-CB 3.47Å; V191-N195 VanDerWaalsContact O-CG 3.31Å; V191-N195 PolarHBondContact O-N 3.33Å; V191-N195 PolarHBondContact O-ND2 2.94Å
192	A	85.9	Confident	85.1	Confident	30 Å²	30	69.3 Å²	69.3	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-51.1	178.5	0	0	0	0	0	111.3	R188 I189 T194 N195 A196	R188-A192 WeakPolarHBondContact O-CB 3.4Å; R188-A192 PolarHBondContact O-N 2.93Å; I189-A192 PolarHBondContact O-N 2.95Å; A192-T194 VanDerWaalsContact C-N 3.35Å; A192-T194 PolarHBondContact O-N 2.99Å; A192-N195 PolarHBondContact O-N 3.07Å; A192-A196 WeakPolarHBondContact O-CB 3.4Å; A192-A196 PolarHBondContact O-N 3.1Å
193	I	85.9	Confident	85.6	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-45.8	177.8	-67.1	170.5	0	0	0	110.6	I189 N195 A196 V197 E213 Y217 I336	I189-I193 HydrophobicContact CG2-CD1 3.71Å; I189-I193 HydrophobicContact CG2-CG1 4.45Å; I189-I193 WeakPolarHBondContact O-CG1 3.36Å; I189-I193 PolarHBondContact O-N 3.16Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.49Å; I193-A196 WeakPolarHBondContact O-CB 3.36Å; I193-A196 PolarHBondContact O-N 3.41Å; I193-A196 VanDerWaalsContact O-N 3.13Å; I193-V197 HydrophobicContact CG2-CG1 4.41Å; I193-V197 WeakPolarHBondContact O-CG1 3.4Å; I193-V197 WeakPolarHBondContact O-CG2 3.4Å; I193-V197 PolarHBondContact O-N 3.25Å; I193-V197 VanDerWaalsContact O-N 3.07Å; I193-E213 HydrophobicContact CG1-CB 3.86Å; I193-E213 HydrophobicContact CG1-CG 4.49Å; I193-Y217 HydrophobicContact CD1-CD2 4.27Å; I193-Y217 HydrophobicContact CG1-CD2 4.41Å; I193-Y217 HydrophobicContact CG1-CE2 4.35Å; I193-I336 HydrophobicContact CD1-CD1 3.38Å; I193-I336 HydrophobicContact CD1-CG1 3.67Å; I193-I336 HydrophobicContact CD1-CG2 4.16Å; I193-I336 HydrophobicContact CG2-CG2 4.06Å
194	T	86.7	Confident	86	Confident	28 Å²	28	61.3 Å²	61.3	17%	0.172	31%	0.314	C	S	.	.	H	α-helix	trans	-56.4	-46.5	178.4	-59.7	0	0	0	0	111.2	L190 V191 A192 A196 V197 L198	L190-T194 VanDerWaalsContact O-CB 3.29Å; L190-T194 WeakPolarHBondContact O-CB 3.34Å; L190-T194 PolarHBondContact O-N 3.01Å; L190-T194 PolarHBondContact O-OG1 2.9Å; V191-T194 PolarHBondContact O-N 3.47Å; A192-T194 VanDerWaalsContact C-N 3.35Å; A192-T194 PolarHBondContact O-N 2.99Å; T194-A196 VanDerWaalsContact C-N 3.35Å; T194-A196 PolarHBondContact O-N 3.11Å; T194-V197 WeakPolarHBondContact O-CG2 3.31Å; T194-V197 PolarHBondContact O-N 3.43Å; T194-L198 HydrophobicContact CG2-CD1 3.64Å; T194-L198 HydrophobicContact CG2-CG 4.04Å; T194-L198 WeakPolarHBondContact O-CB 3.46Å; T194-L198 WeakPolarHBondContact O-CG 3.35Å; T194-L198 PolarHBondContact O-N 3.35Å
195	N	87	Confident	86.4	Confident	103 Å²	103	61.4 Å²	61.4	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-68.2	-33.5	178.7	-70.7	-23.2	0	0	0	112.9	V191 A192 I193 V197	V191-N195 WeakPolarHBondContact O-CB 3.47Å; V191-N195 VanDerWaalsContact O-CG 3.31Å; V191-N195 PolarHBondContact O-N 3.33Å; V191-N195 PolarHBondContact O-ND2 2.94Å; A192-N195 PolarHBondContact O-N 3.07Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.49Å; N195-V197 VanDerWaalsContact C-N 3.34Å
196	A	83.7	Confident	86.9	Confident	18 Å²	18	58.4 Å²	58.4	15%	0.149	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-36	178.3	0	0	0	0	0	112.2	A192 I193 T194 E209 E213	A192-A196 WeakPolarHBondContact O-CB 3.4Å; A192-A196 PolarHBondContact O-N 3.1Å; I193-A196 WeakPolarHBondContact O-CB 3.36Å; I193-A196 PolarHBondContact O-N 3.41Å; I193-A196 VanDerWaalsContact O-N 3.13Å; T194-A196 VanDerWaalsContact C-N 3.35Å; T194-A196 PolarHBondContact O-N 3.11Å; A196-E209 HydrophobicContact CB-CG 3.93Å; A196-E213 HydrophobicContact CB-CG 3.97Å
197	V	86.7	Confident	87.2	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-91.2	-29.5	-176.2	-56.7	0	0	0	0	114.1	I193 T194 N195 S199 R200 L206 V210 A343	I193-V197 HydrophobicContact CG2-CG1 4.41Å; I193-V197 WeakPolarHBondContact O-CG1 3.4Å; I193-V197 WeakPolarHBondContact O-CG2 3.4Å; I193-V197 PolarHBondContact O-N 3.25Å; I193-V197 VanDerWaalsContact O-N 3.07Å; T194-V197 WeakPolarHBondContact O-CG2 3.31Å; T194-V197 PolarHBondContact O-N 3.43Å; N195-V197 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 3.07Å; V197-S199 VanDerWaalsContact O-N 3.11Å; V197-R200 PolarHBondContact O-N 3.26Å; V197-R200 VanDerWaalsContact O-N 3.09Å; V197-L206 HydrophobicContact CB-CD1 3.66Å; V197-L206 HydrophobicContact CG1-CD1 3.96Å; V197-V210 HydrophobicContact CG1-CG2 3.48Å; V197-V210 VanDerWaalsContact CG1-CG2 3.48Å; V197-A343 HydrophobicContact CB-CB 3.94Å; V197-A343 HydrophobicContact CG2-CB 3.84Å
198	L	81.3	Confident	87.6	Confident	96 Å²	96	52.8 Å²	52.8	50%	0.503	28%	0.282	S	S	.	.	H	α-helix	trans	-59.2	-28.6	-171.2	-89.2	172.4	0	0	0	114.6	T194	T194-L198 HydrophobicContact CG2-CD1 3.64Å; T194-L198 HydrophobicContact CG2-CG 4.04Å; T194-L198 WeakPolarHBondContact O-CB 3.46Å; T194-L198 WeakPolarHBondContact O-CG 3.35Å; T194-L198 PolarHBondContact O-N 3.35Å
199	S	79.9	Confident	87.8	Confident	89 Å²	89	46.5 Å²	46.5	62%	0.622	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	1.7	-178.3	68.8	0	0	0	0	114.1	V197	V197-S199 PolarHBondContact O-N 3.07Å; V197-S199 VanDerWaalsContact O-N 3.11Å
200	R	88.9	Confident	88	Confident	63 Å²	63	45.1 Å²	45.1	24%	0.238	25%	0.252	C	S	.	.			trans	-93.1	108.9	-178.3	-56.6	-58.7	174.6	93.8	2.6	109.6	V197 E205 L206 E209	V197-R200 PolarHBondContact O-N 3.26Å; V197-R200 VanDerWaalsContact O-N 3.09Å; R200-E205 PolarHBondContact NH1-O 2.93Å; R200-L206 HydrophobicContact CB-CB 3.92Å; R200-L206 HydrophobicContact CB-CD1 4.14Å; R200-E209 IonicContact CZ-OE2 3.11Å; R200-E209 IonicContact NH1-OE2 2.89Å; R200-E209 PolarHBondContact NH1-OE2 3.33Å; R200-E209 IonicContact NH2-OE1 2.85Å; R200-E209 IonicContact NH2-OE2 2.78Å; R200-E209 PolarHBondContact NH2-OE2 3.16Å
201	L	85.3	Confident	88.3	Confident	75 Å²	75	44.2 Å²	44.2	39%	0.393	25%	0.247	S	C	.	.			trans	-97	-18.8	177.9	-62.4	175.4	0	0	0	112.3	Y350	L201-Y350 HydrophobicContact CB-CD1 3.89Å; L201-Y350 HydrophobicContact CB-CE1 4.21Å; L201-Y350 HydrophobicContact CB-CG 4.13Å; L201-Y350 HydrophobicContact CD1-CD1 4.48Å; L201-Y350 HydrophobicContact CD1-CD2 3.96Å; L201-Y350 HydrophobicContact CD1-CE1 4.41Å; L201-Y350 HydrophobicContact CD1-CE2 3.88Å; L201-Y350 HydrophobicContact CD1-CG 4.26Å; L201-Y350 HydrophobicContact CD2-CD2 4.39Å; L201-Y350 HydrophobicContact CD2-CG 4.26Å; L201-Y350 HydrophobicContact CG-CG 4.46Å
202	D	90	Very high	88.6	Confident	67 Å²	67	45.5 Å²	45.5	36%	0.358	25%	0.246	S	C	.	.	S	Bend	trans	-87.6	136.8	172.8	-176.9	-93.9	0	0	0	110.6	D204 E205 L206	D202-D204 WeakPolarHBondContact OD1-CB 3.12Å; D202-D204 PolarHBondContact OD1-N 3.23Å; D202-E205 HydrophobicContact CB-CB 4.15Å; D202-E205 HydrophobicContact CB-CG 4.06Å; D202-E205 PolarHBondContact OD1-N 3.16Å; D202-E205 VanDerWaalsContact OD1-N 3.09Å; D202-L206 VanDerWaalsContact O-CB 3.26Å; D202-L206 WeakPolarHBondContact O-CB 3.21Å; D202-L206 PolarHBondContact O-N 2.93Å
203	M	90.3	Very high	88.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-38.4	-174	-168.8	62.9	65.6	0	0	112.1	L206 V207 L227 Y238 V344 A347 L348	M203-L206 PolarHBondContact O-N 3.37Å; M203-L206 HydrophobicContact SD-CD2 4.28Å; M203-V207 HydrophobicContact CG-CG2 4.47Å; M203-V207 WeakPolarHBondContact O-CG2 3.3Å; M203-V207 PolarHBondContact O-N 3.04Å; M203-L227 HydrophobicContact CE-CD1 4.03Å; M203-L227 HydrophobicContact SD-CD1 4.05Å; M203-Y238 HydrophobicContact CG-CE1 4.11Å; M203-Y238 HydrophobicContact CG-CE2 4.31Å; M203-V344 HydrophobicContact CE-CG1 4.28Å; M203-A347 HydrophobicContact CE-CB 3.81Å; M203-L348 HydrophobicContact CE-CD2 3.66Å; M203-L348 HydrophobicContact CE-CG 3.74Å
204	D	89.9	Confident	89.2	Confident	93 Å²	93	45.3 Å²	45.3	50%	0.497	24%	0.24	S	C	.	.	H	α-helix	trans	-71.6	-41.2	-178.6	-66.2	-34	0	0	0	110.2	D202 L206 V207 S208	D202-D204 WeakPolarHBondContact OD1-CB 3.12Å; D202-D204 PolarHBondContact OD1-N 3.23Å; D204-L206 VanDerWaalsContact C-N 3.32Å; D204-L206 PolarHBondContact O-N 2.85Å; D204-V207 PolarHBondContact O-N 3.17Å; D204-S208 WeakPolarHBondContact O-CB 3.49Å; D204-S208 PolarHBondContact O-N 3.46Å
205	E	91.1	Very high	89.5	Confident	107 Å²	107	44.9 Å²	44.9	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-37.3	172.8	-66.8	-173.4	175.9	0	0	112.6	R200 D202 E209	R200-E205 PolarHBondContact NH1-O 2.93Å; D202-E205 HydrophobicContact CB-CB 4.15Å; D202-E205 HydrophobicContact CB-CG 4.06Å; D202-E205 PolarHBondContact OD1-N 3.16Å; D202-E205 VanDerWaalsContact OD1-N 3.09Å; E205-E209 WeakPolarHBondContact O-CB 3.29Å; E205-E209 PolarHBondContact O-N 3.18Å; E205-E209 VanDerWaalsContact O-N 3.15Å
206	L	92.8	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-50.9	176.7	174	62.8	0	0	0	110.9	V197 R200 D202 M203 D204 S208 E209 V210 A343 V344 A347	V197-L206 HydrophobicContact CB-CD1 3.66Å; V197-L206 HydrophobicContact CG1-CD1 3.96Å; R200-L206 HydrophobicContact CB-CB 3.92Å; R200-L206 HydrophobicContact CB-CD1 4.14Å; D202-L206 VanDerWaalsContact O-CB 3.26Å; D202-L206 WeakPolarHBondContact O-CB 3.21Å; D202-L206 PolarHBondContact O-N 2.93Å; M203-L206 PolarHBondContact O-N 3.37Å; M203-L206 HydrophobicContact SD-CD2 4.28Å; D204-L206 VanDerWaalsContact C-N 3.32Å; D204-L206 PolarHBondContact O-N 2.85Å; L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 PolarHBondContact O-N 3.19Å; L206-E209 PolarHBondContact O-N 3.45Å; L206-V210 HydrophobicContact CD1-CG2 4.01Å; L206-V210 HydrophobicContact CG-CG2 4.45Å; L206-V210 VanDerWaalsContact O-CG2 3.27Å; L206-V210 WeakPolarHBondContact O-CG2 3.49Å; L206-V210 PolarHBondContact O-N 2.88Å; L206-A343 HydrophobicContact CD1-CB 3.78Å; L206-A343 HydrophobicContact CD2-CB 4.12Å; L206-V344 HydrophobicContact CD2-CB 4.48Å; L206-V344 HydrophobicContact CD2-CG2 3.84Å; L206-A347 HydrophobicContact CD2-CB 4.14Å
207	V	93	Very high	89.9	Confident	8 Å²	8	51.3 Å²	51.3	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-46.1	-179.8	173.6	0	0	0	0	110.5	M203 D204 E209 V210 A211 I225 Y238	M203-V207 HydrophobicContact CG-CG2 4.47Å; M203-V207 WeakPolarHBondContact O-CG2 3.3Å; M203-V207 PolarHBondContact O-N 3.04Å; D204-V207 PolarHBondContact O-N 3.17Å; V207-E209 VanDerWaalsContact C-N 3.34Å; V207-E209 PolarHBondContact O-N 3.32Å; V207-V210 PolarHBondContact O-N 2.98Å; V207-A211 WeakPolarHBondContact O-CB 3.43Å; V207-A211 PolarHBondContact O-N 3.35Å; V207-I225 HydrophobicContact CG2-CB 4.24Å; V207-I225 HydrophobicContact CG2-CD1 3.96Å; V207-I225 HydrophobicContact CG2-CG1 4.38Å; V207-Y238 HydrophobicContact CG2-CD1 4.33Å; V207-Y238 HydrophobicContact CG2-CD2 4.49Å; V207-Y238 HydrophobicContact CG2-CG 3.95Å
208	S	91.8	Very high	90.1	Very high	37 Å²	37	51.9 Å²	51.9	26%	0.259	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-42.2	179.9	-173.4	0	0	0	0	111.9	D204 L206 K212 H250	D204-S208 WeakPolarHBondContact O-CB 3.49Å; D204-S208 PolarHBondContact O-N 3.46Å; L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 PolarHBondContact O-N 3.19Å; S208-K212 WeakPolarHBondContact O-CB 3.5Å; S208-K212 PolarHBondContact O-N 2.73Å; S208-H250 PolarHBondContact OG-CE1 3.16Å
209	E	92.1	Very high	90.5	Very high	25 Å²	25	50.8 Å²	50.8	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-41.5	178.2	-157	68.2	-152.8	0	0	112.5	A196 R200 E205 L206 V207 A211 K212 E213	A196-E209 HydrophobicContact CB-CG 3.93Å; R200-E209 IonicContact CZ-OE2 3.11Å; R200-E209 IonicContact NH1-OE2 2.89Å; R200-E209 PolarHBondContact NH1-OE2 3.33Å; R200-E209 IonicContact NH2-OE1 2.85Å; R200-E209 IonicContact NH2-OE2 2.78Å; R200-E209 PolarHBondContact NH2-OE2 3.16Å; E205-E209 WeakPolarHBondContact O-CB 3.29Å; E205-E209 PolarHBondContact O-N 3.18Å; E205-E209 VanDerWaalsContact O-N 3.15Å; L206-E209 PolarHBondContact O-N 3.45Å; V207-E209 VanDerWaalsContact C-N 3.34Å; V207-E209 PolarHBondContact O-N 3.32Å; E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 2.94Å; E209-K212 PolarHBondContact O-N 3.06Å; E209-K212 IonicContact OE1-NZ 3.91Å; E209-E213 WeakPolarHBondContact O-CG 3.35Å; E209-E213 PolarHBondContact O-N 3.38Å
210	V	92.9	Very high	91	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-47.4	175.2	170.2	0	0	0	0	110.4	V197 L206 V207 K212 E213 I214 I225 V340	V197-V210 HydrophobicContact CG1-CG2 3.48Å; V197-V210 VanDerWaalsContact CG1-CG2 3.48Å; L206-V210 HydrophobicContact CD1-CG2 4.01Å; L206-V210 HydrophobicContact CG-CG2 4.45Å; L206-V210 VanDerWaalsContact O-CG2 3.27Å; L206-V210 WeakPolarHBondContact O-CG2 3.49Å; L206-V210 PolarHBondContact O-N 2.88Å; V207-V210 PolarHBondContact O-N 2.98Å; V210-K212 PolarHBondContact O-N 3.4Å; V210-E213 PolarHBondContact O-N 2.85Å; V210-I214 HydrophobicContact CG1-CD1 3.64Å; V210-I214 HydrophobicContact CG1-CG1 4.42Å; V210-I214 WeakPolarHBondContact O-CB 3.28Å; V210-I214 VanDerWaalsContact O-CG1 3.31Å; V210-I214 WeakPolarHBondContact O-CG1 3.37Å; V210-I214 PolarHBondContact O-N 2.81Å; V210-I225 HydrophobicContact CB-CD1 4.49Å; V210-I225 HydrophobicContact CG1-CD1 4.33Å; V210-V340 HydrophobicContact CG1-CG1 4.35Å; V210-V340 HydrophobicContact CG1-CG2 3.85Å; V210-V340 HydrophobicContact CG2-CG1 4.22Å; V210-V340 HydrophobicContact CG2-CG2 3.9Å
211	A	93.7	Very high	91	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-46.1	178.4	0	0	0	0	0	111.4	V207 E209 E213 I214 H215 I223 T240 Y242	V207-A211 WeakPolarHBondContact O-CB 3.43Å; V207-A211 PolarHBondContact O-N 3.35Å; E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 2.94Å; A211-E213 PolarHBondContact O-N 2.91Å; A211-I214 PolarHBondContact O-N 3.4Å; A211-H215 VanDerWaalsContact O-CB 3.25Å; A211-H215 WeakPolarHBondContact O-CB 3.34Å; A211-H215 PolarHBondContact O-N 3.35Å; A211-I223 HydrophobicContact CB-CB 4.09Å; A211-I223 HydrophobicContact CB-CD1 4.27Å; A211-I223 HydrophobicContact CB-CG2 4.05Å; A211-I223 WeakPolarHBondContact O-CD1 3.37Å; A211-T240 VanDerWaalsContact CB-CB 3.5Å; A211-T240 HydrophobicContact CB-CG2 3.77Å; A211-Y242 HydrophobicContact CB-CE2 4.24Å; A211-Y242 PolarHBondContact O-OH 3.07Å
212	K	92.3	Very high	91.3	Very high	110 Å²	110	41.7 Å²	41.7	48%	0.478	20%	0.197	S	C	.	.	H	α-helix	trans	-60.1	-46.4	179	-178.2	-173.4	168.6	-158.9	0	112.9	S208 E209 V210 Y216 Y242	S208-K212 WeakPolarHBondContact O-CB 3.5Å; S208-K212 PolarHBondContact O-N 2.73Å; E209-K212 PolarHBondContact O-N 3.06Å; E209-K212 IonicContact OE1-NZ 3.91Å; V210-K212 PolarHBondContact O-N 3.4Å; K212-Y216 VanDerWaalsContact O-CB 3.28Å; K212-Y216 WeakPolarHBondContact O-CB 3.41Å; K212-Y216 PolarHBondContact O-N 2.96Å; K212-Y242 WeakPolarHBondContact CA-OH 3.41Å; K212-Y242 PolarHBondContact N-OH 2.83Å; K212-Y242 VanDerWaalsContact N-OH 3.1Å
213	E	91.4	Very high	91.5	Very high	27 Å²	27	38.6 Å²	38.6	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-70.3	-41.6	-179.1	-66.5	-65.4	126.4	0	0	111.8	I193 A196 E209 V210 A211 Y216 Y217	I193-E213 HydrophobicContact CG1-CB 3.86Å; I193-E213 HydrophobicContact CG1-CG 4.49Å; A196-E213 HydrophobicContact CB-CG 3.97Å; E209-E213 WeakPolarHBondContact O-CG 3.35Å; E209-E213 PolarHBondContact O-N 3.38Å; V210-E213 PolarHBondContact O-N 2.85Å; A211-E213 PolarHBondContact O-N 2.91Å; E213-Y216 PolarHBondContact O-N 3.32Å; E213-Y217 WeakPolarHBondContact O-CD2 3.36Å; E213-Y217 PolarHBondContact O-N 2.68Å; E213-Y217 VanDerWaalsContact O-N 3.1Å; E213-Y217 WeakPolarHBondContact OE2-CE2 3.16Å
214	I	92.8	Very high	91.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-44	176.1	-68.9	174.1	0	0	0	110.3	V210 A211 Y216 Y217 F218 I220 I223 L315 L317 I336	V210-I214 HydrophobicContact CG1-CD1 3.64Å; V210-I214 HydrophobicContact CG1-CG1 4.42Å; V210-I214 WeakPolarHBondContact O-CB 3.28Å; V210-I214 VanDerWaalsContact O-CG1 3.31Å; V210-I214 WeakPolarHBondContact O-CG1 3.37Å; V210-I214 PolarHBondContact O-N 2.81Å; A211-I214 PolarHBondContact O-N 3.4Å; I214-Y216 PolarHBondContact O-N 2.96Å; I214-Y217 PolarHBondContact O-N 2.99Å; I214-F218 HydrophobicContact CG2-CD2 4.22Å; I214-F218 WeakPolarHBondContact O-CB 3.48Å; I214-F218 WeakPolarHBondContact O-CD2 3.5Å; I214-F218 PolarHBondContact O-N 2.97Å; I214-I220 HydrophobicContact CG2-CB 4.41Å; I214-I220 HydrophobicContact CG2-CD1 3.76Å; I214-I220 HydrophobicContact CG2-CG1 4.41Å; I214-I223 HydrophobicContact CB-CD1 3.8Å; I214-I223 HydrophobicContact CD1-CG2 4.37Å; I214-I223 HydrophobicContact CG2-CD1 3.65Å; I214-I223 HydrophobicContact CG2-CG1 4.11Å; I214-L315 HydrophobicContact CD1-CD1 4.28Å; I214-L315 HydrophobicContact CD1-CD2 3.91Å; I214-L317 HydrophobicContact CD1-CD2 4.27Å; I214-L317 HydrophobicContact CG2-CD2 4.07Å; I214-I336 HydrophobicContact CD1-CG2 4.29Å; I214-I336 HydrophobicContact CG1-CG2 4.37Å
215	H	92.4	Very high	92.1	Very high	20 Å²	20	34.1 Å²	34.1	9%	0.093	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-45.1	174.7	-179.6	74	0	0	0	111.4	A211 Y217 D219 I220 I223 Y242	A211-H215 VanDerWaalsContact O-CB 3.25Å; A211-H215 WeakPolarHBondContact O-CB 3.34Å; A211-H215 PolarHBondContact O-N 3.35Å; H215-Y217 PolarHBondContact O-N 3.4Å; H215-D219 IonicContact CE1-OD1 2.83Å; H215-D219 PolarHBondContact CE1-OD1 3.4Å; H215-D219 IonicContact NE2-OD1 2.75Å; H215-D219 WeakPolarHBondContact O-CA 3.28Å; H215-D219 PolarHBondContact O-N 2.97Å; H215-I220 PolarHBondContact ND1-O 3.38Å; H215-I223 HydrophobicContact CB-CD1 4.02Å; H215-Y242 HydrophobicContact CB-CD1 4.27Å; H215-Y242 HydrophobicContact CB-CD2 4.02Å; H215-Y242 HydrophobicContact CB-CE1 3.91Å; H215-Y242 HydrophobicContact CB-CE2 3.64Å; H215-Y242 HydrophobicContact CB-CG 4.33Å; H215-Y242 AromaticContact CD2-CD1 3.52Å; H215-Y242 AromaticContact CD2-CE1 3.58Å; H215-Y242 AromaticContact CE1-CD1 3.73Å; H215-Y242 AromaticContact CE1-CG 3.7Å; H215-Y242 AromaticContact CG-CD1 3.56Å; H215-Y242 AromaticContact CG-CD2 3.87Å; H215-Y242 AromaticContact CG-CE1 3.62Å; H215-Y242 AromaticContact CG-CE2 3.93Å; H215-Y242 AromaticContact CG-CG 3.7Å; H215-Y242 AromaticContact CG-CZ 3.82Å; H215-Y242 AromaticContact ND1-CD1 3.68Å; H215-Y242 AromaticContact ND1-CD2 3.72Å; H215-Y242 AromaticContact ND1-CG 3.43Å; H215-Y242 AromaticContact NE2-CD1 3.64Å
216	Y	90.5	Very high	92.3	Very high	173 Å²	173	29 Å²	29	68%	0.678	13%	0.133	S	C	*	.	H	α-helix	trans	-59.7	-40.8	-179.3	-179.6	-103.8	0	0	0	113.5	K212 E213 I214	K212-Y216 VanDerWaalsContact O-CB 3.28Å; K212-Y216 WeakPolarHBondContact O-CB 3.41Å; K212-Y216 PolarHBondContact O-N 2.96Å; E213-Y216 PolarHBondContact O-N 3.32Å; I214-Y216 PolarHBondContact O-N 2.96Å
217	Y	89.4	Confident	92.4	Very high	83 Å²	83	29.3 Å²	29.3	33%	0.325	13%	0.134	S	C	.	.	H	α-helix	trans	-90.9	-26.5	-177.1	-68.8	-66.1	0	0	0	114.7	I189 I193 E213 I214 H215	I189-Y217 HydrophobicContact CD1-CD1 3.98Å; I189-Y217 HydrophobicContact CD1-CG 4.35Å; I189-Y217 HydrophobicContact CG1-CD1 3.67Å; I189-Y217 HydrophobicContact CG1-CE1 3.78Å; I189-Y217 HydrophobicContact CG1-CG 4.11Å; I189-Y217 HydrophobicContact CG2-CD1 4.3Å; I189-Y217 HydrophobicContact CG2-CD2 3.79Å; I189-Y217 HydrophobicContact CG2-CE2 4.18Å; I189-Y217 HydrophobicContact CG2-CG 3.87Å; I193-Y217 HydrophobicContact CD1-CD2 4.27Å; I193-Y217 HydrophobicContact CG1-CD2 4.41Å; I193-Y217 HydrophobicContact CG1-CE2 4.35Å; E213-Y217 WeakPolarHBondContact O-CD2 3.36Å; E213-Y217 PolarHBondContact O-N 2.68Å; E213-Y217 VanDerWaalsContact O-N 3.1Å; E213-Y217 WeakPolarHBondContact OE2-CE2 3.16Å; I214-Y217 PolarHBondContact O-N 2.99Å; H215-Y217 PolarHBondContact O-N 3.4Å
218	F	90.1	Very high	92.4	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-120.4	-6.7	-172.3	-59.2	-86.2	0	0	0	114.4	I214 I220 V324 N329 L332 L333 I336	I214-F218 HydrophobicContact CG2-CD2 4.22Å; I214-F218 WeakPolarHBondContact O-CB 3.48Å; I214-F218 WeakPolarHBondContact O-CD2 3.5Å; I214-F218 PolarHBondContact O-N 2.97Å; F218-I220 HydrophobicContact CB-CD1 3.83Å; F218-I220 HydrophobicContact CB-CG1 3.73Å; F218-I220 PolarHBondContact O-N 2.91Å; F218-V324 HydrophobicContact CB-CG1 4.13Å; F218-V324 WeakPolarHBondContact O-CG1 3.43Å; F218-N329 HydrophobicContact CD1-CB 4.45Å; F218-N329 HydrophobicContact CE1-CB 4.21Å; F218-L332 HydrophobicContact CE1-CD2 4.22Å; F218-L332 HydrophobicContact CZ-CD2 3.7Å; F218-L332 HydrophobicContact CZ-CG 4Å; F218-L333 HydrophobicContact CD1-CD2 4.28Å; F218-L333 HydrophobicContact CD1-CG 4.44Å; F218-L333 HydrophobicContact CD2-CD2 3.94Å; F218-L333 HydrophobicContact CE1-CD2 4.11Å; F218-L333 HydrophobicContact CE1-CG 4.08Å; F218-L333 HydrophobicContact CE2-CD2 3.76Å; F218-L333 HydrophobicContact CG-CD2 4.2Å; F218-L333 HydrophobicContact CZ-CD2 3.85Å; F218-L333 HydrophobicContact CZ-CG 4.13Å; F218-I336 HydrophobicContact CE2-CD1 3.59Å; F218-I336 HydrophobicContact CZ-CD1 3.76Å
219	D	89.2	Confident	92.2	Very high	72 Å²	72	34.7 Å²	34.7	39%	0.385	15%	0.151	S	C	.	.			trans	53.1	37.8	-176.8	-153.1	31.2	0	0	0	113.5	H215 K245 Q319	H215-D219 IonicContact CE1-OD1 2.83Å; H215-D219 PolarHBondContact CE1-OD1 3.4Å; H215-D219 IonicContact NE2-OD1 2.75Å; H215-D219 WeakPolarHBondContact O-CA 3.28Å; H215-D219 PolarHBondContact O-N 2.97Å; D219-K245 IonicContact OD1-NZ 4Å; D219-K245 PolarHBondContact OD1-NZ 3.23Å; D219-K245 IonicContact OD2-NZ 2.69Å; D219-K245 PolarHBondContact OD2-NZ 3.35Å; D219-Q319 PolarHBondContact O-NE2 2.88Å
220	I	91.6	Very high	91.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.185	C	C	.	.			trans	-77.8	131.9	-179.6	-64	179.8	0	0	0	109.8	I214 H215 F218 D222 I223 L317 A318 V324 F325	I214-I220 HydrophobicContact CG2-CB 4.41Å; I214-I220 HydrophobicContact CG2-CD1 3.76Å; I214-I220 HydrophobicContact CG2-CG1 4.41Å; H215-I220 PolarHBondContact ND1-O 3.38Å; F218-I220 HydrophobicContact CB-CD1 3.83Å; F218-I220 HydrophobicContact CB-CG1 3.73Å; F218-I220 PolarHBondContact O-N 2.91Å; I220-D222 WeakPolarHBondContact CG2-O 3.41Å; I220-I223 HydrophobicContact CB-CD1 4.3Å; I220-I223 HydrophobicContact CB-CG1 4.21Å; I220-I223 HydrophobicContact CG2-CD1 4.4Å; I220-I223 HydrophobicContact CG2-CG1 3.77Å; I220-L317 HydrophobicContact CD1-CB 4.13Å; I220-L317 HydrophobicContact CD1-CD1 3.89Å; I220-L317 HydrophobicContact CD1-CD2 4.31Å; I220-L317 HydrophobicContact CD1-CG 4.34Å; I220-L317 HydrophobicContact CG2-CB 4.2Å; I220-A318 WeakPolarHBondContact CG2-O 3.37Å; I220-V324 HydrophobicContact CG1-CG1 4.22Å; I220-F325 HydrophobicContact CD1-CE1 4.31Å
221	D	89	Confident	91.5	Very high	37 Å²	37	50 Å²	50	20%	0.198	22%	0.215	C	C	.	.	S	Bend	trans	-76.3	-35	-174.5	-71.3	-23.5	0	0	0	113.7	Y242 Q319	D221-Y242 PolarHBondContact O-N 2.78Å; D221-Q319 PolarHBondContact OD2-OE1 3.3Å
222	D	91.3	Very high	91.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.2	-179.1	-165.1	49.3	0	0	0	112.5	I220 H241 W293 L317 A318	I220-D222 WeakPolarHBondContact CG2-O 3.41Å; D222-H241 IonicContact OD1-CE1 2.74Å; D222-H241 PolarHBondContact OD1-CE1 2.93Å; D222-H241 IonicContact OD1-CG 3.89Å; D222-H241 IonicContact OD1-ND1 2.73Å; D222-H241 PolarHBondContact OD1-ND1 3.13Å; D222-W293 HydrophobicContact CB-CH2 3.67Å; D222-W293 HydrophobicContact CB-CZ2 3.4Å; D222-W293 WeakPolarHBondContact OD1-CH2 3.4Å; D222-W293 WeakPolarHBondContact OD1-CZ2 3.42Å; D222-L317 WeakPolarHBondContact O-CA 3.5Å; D222-A318 HydrophobicContact CB-CB 3.81Å; D222-A318 PolarHBondContact N-O 2.7Å; D222-A318 VanDerWaalsContact N-O 3.14Å; D222-A318 PolarHBondContact O-N 3.37Å
223	I	94.5	Very high	91.2	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.5	-178.6	-58.4	159.2	0	0	0	109.1	A211 I214 H215 I220 T240 Y242 L315 L317	A211-I223 HydrophobicContact CB-CB 4.09Å; A211-I223 HydrophobicContact CB-CD1 4.27Å; A211-I223 HydrophobicContact CB-CG2 4.05Å; A211-I223 WeakPolarHBondContact O-CD1 3.37Å; I214-I223 HydrophobicContact CB-CD1 3.8Å; I214-I223 HydrophobicContact CD1-CG2 4.37Å; I214-I223 HydrophobicContact CG2-CD1 3.65Å; I214-I223 HydrophobicContact CG2-CG1 4.11Å; H215-I223 HydrophobicContact CB-CD1 4.02Å; I220-I223 HydrophobicContact CB-CD1 4.3Å; I220-I223 HydrophobicContact CB-CG1 4.21Å; I220-I223 HydrophobicContact CG2-CD1 4.4Å; I220-I223 HydrophobicContact CG2-CG1 3.77Å; I223-T240 PolarHBondContact N-O 2.89Å; I223-T240 VanDerWaalsContact N-O 3.16Å; I223-T240 PolarHBondContact O-N 3.35Å; I223-Y242 HydrophobicContact CD1-CD2 4.48Å; I223-Y242 HydrophobicContact CD1-CE2 4Å; I223-L315 HydrophobicContact CG2-CD1 4.08Å; I223-L317 HydrophobicContact CB-CD2 4.29Å; I223-L317 HydrophobicContact CG1-CD2 3.94Å; I223-L317 HydrophobicContact CG2-CD2 3.86Å
224	S	94.9	Very high	91.3	Very high	0 Å²	0	60 Å²	60	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.8	-179.2	-49.6	0	0	0	0	112.9	Y238 S239 K316	S224-Y238 CarbonylContact C-O 3.54Å; S224-Y238 WeakPolarHBondContact CA-O 3.31Å; S224-Y238 WeakPolarHBondContact CB-O 3.42Å; S224-S239 VanDerWaalsContact OG-CB 3.26Å; S224-S239 WeakPolarHBondContact OG-CB 3.47Å; S224-S239 PolarHBondContact OG-OG 2.99Å; S224-K316 PolarHBondContact N-O 2.94Å; S224-K316 PolarHBondContact O-N 3.45Å
225	I	96.4	Very high	91.4	Very high	1 Å²	1	60 Å²	60	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.3	167.4	-61.2	-173.8	0	0	0	107.9	V207 V210 L227 Y238 L305 L315 V340 V344	V207-I225 HydrophobicContact CG2-CB 4.24Å; V207-I225 HydrophobicContact CG2-CD1 3.96Å; V207-I225 HydrophobicContact CG2-CG1 4.38Å; V210-I225 HydrophobicContact CB-CD1 4.49Å; V210-I225 HydrophobicContact CG1-CD1 4.33Å; I225-L227 HydrophobicContact CG2-CD2 3.79Å; I225-L227 HydrophobicContact CG2-CG 4.05Å; I225-Y238 PolarHBondContact N-O 3.49Å; I225-Y238 PolarHBondContact O-N 2.89Å; I225-L305 HydrophobicContact CG2-CD1 3.92Å; I225-L315 HydrophobicContact CG1-CD1 4.06Å; I225-V340 HydrophobicContact CD1-CG1 3.86Å; I225-V344 HydrophobicContact CD1-CG2 4.46Å
226	V	96.1	Very high	91.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.8	-177.9	-172.7	0	0	0	0	109.7	L235 N236 I237 T262 G313 V314	V226-L235 HydrophobicContact CG1-CB 3.9Å; V226-L235 HydrophobicContact CG1-CD1 3.9Å; V226-L235 HydrophobicContact CG1-CD2 4.43Å; V226-L235 HydrophobicContact CG1-CG 4.3Å; V226-N236 WeakPolarHBondContact CA-O 3.45Å; V226-I237 HydrophobicContact CB-CG1 4.45Å; V226-I237 HydrophobicContact CG1-CG1 3.85Å; V226-I237 HydrophobicContact CG2-CG1 4.06Å; V226-I237 HydrophobicContact CG2-CG2 4.14Å; V226-T262 HydrophobicContact CB-CG2 4.04Å; V226-T262 HydrophobicContact CG1-CG2 3.66Å; V226-G313 CarbonylContact O-C 3.55Å; V226-G313 WeakPolarHBondContact O-CA 3.31Å; V226-V314 HydrophobicContact CB-CB 4.49Å; V226-V314 PolarHBondContact N-O 3.49Å; V226-V314 PolarHBondContact O-N 3.46Å
227	L	95.4	Very high	91.7	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.4	-179.3	-54	-177.9	0	0	0	110.3	M203 I225 S229 L235 N236 Y238 V344	M203-L227 HydrophobicContact CE-CD1 4.03Å; M203-L227 HydrophobicContact SD-CD1 4.05Å; I225-L227 HydrophobicContact CG2-CD2 3.79Å; I225-L227 HydrophobicContact CG2-CG 4.05Å; L227-S229 PolarHBondContact O-N 3.14Å; L227-L235 CarbonylContact O-C 3.57Å; L227-L235 WeakPolarHBondContact O-CA 3.28Å; L227-N236 PolarHBondContact N-O 3.44Å; L227-N236 PolarHBondContact O-N 3.48Å; L227-Y238 HydrophobicContact CD1-CE2 4.1Å; L227-Y238 HydrophobicContact CG-CE2 4.43Å; L227-V344 HydrophobicContact CD1-CG1 4.16Å; L227-V344 HydrophobicContact CD2-CG1 3.87Å
228	R	92.2	Very high	92	Very high	138 Å²	138	49.9 Å²	49.9	52%	0.521	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130	169.6	-80.2	-176.9	166.7	159.3	4	110.2	L235 E257 F266	R228-L235 HydrophobicContact CG-CD2 4.04Å; R228-E257 IonicContact CZ-OE1 2.92Å; R228-E257 IonicContact CZ-OE2 3.07Å; R228-E257 IonicContact NE-OE1 3.37Å; R228-E257 IonicContact NE-OE2 3.7Å; R228-E257 PolarHBondContact NE-OE2 3.1Å; R228-E257 VanDerWaalsContact NE-OE2 3.16Å; R228-E257 IonicContact NH2-OE1 3.52Å; R228-E257 PolarHBondContact NH2-OE1 3.46Å; R228-E257 IonicContact NH2-OE2 2.77Å; R228-F266 HydrophobicContact CG-CE1 4.4Å; R228-F266 HydrophobicContact CG-CE2 4.36Å; R228-F266 HydrophobicContact CG-CZ 3.98Å
229	S	88.5	Confident	92.1	Very high	20 Å²	20	49.4 Å²	49.4	14%	0.14	22%	0.223	C	C	.	.			trans	-70.1	160.1	173.3	180	0	0	0	0	110.5	L227 R231 K234 N236 E254	L227-S229 PolarHBondContact O-N 3.14Å; S229-R231 PolarHBondContact O-N 3.35Å; S229-R231 PolarHBondContact OG-N 2.92Å; S229-K234 WeakPolarHBondContact CB-O 3.38Å; S229-K234 PolarHBondContact N-O 3.37Å; S229-N236 WeakPolarHBondContact CB-OD1 3.46Å; S229-E254 WeakPolarHBondContact CB-OE2 3.39Å; S229-E254 PolarHBondContact OG-OE2 2.89Å
230	H	84	Confident	92.3	Very high	180 Å²	180	46 Å²	46	83%	0.833	21%	0.205	S	C	*	.	S	Bend	trans	-64.3	-20.4	167.5	-62.3	-58.3	0	0	0	112.2
231	R	85.6	Confident	92.3	Very high	166 Å²	166	46.5 Å²	46.5	63%	0.626	21%	0.208	S	C	*	.	S	Bend	trans	-80.2	134	173.4	-67.6	178.8	176.8	173.8	-1.2	110.1	S229 N233 K234 E254	S229-R231 PolarHBondContact O-N 3.35Å; S229-R231 PolarHBondContact OG-N 2.92Å; R231-N233 PolarHBondContact O-N 3.2Å; R231-K234 HydrophobicContact CB-CB 4.03Å; R231-K234 HydrophobicContact CB-CG 3.89Å; R231-K234 PolarHBondContact O-N 3.06Å; R231-E254 WeakPolarHBondContact CD-OE1 3.48Å; R231-E254 IonicContact CZ-OE1 2.84Å; R231-E254 IonicContact NH1-OE1 3.44Å; R231-E254 PolarHBondContact NH1-OE1 3.35Å
232	K	89.3	Confident	92.3	Very high	184 Å²	184	45.6 Å²	45.6	80%	0.8	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	131.5	-178.3	-170.9	178	-178.9	-178.7	0	111	K234	K232-K234 PolarHBondContact O-N 3.38Å
233	N	90.4	Very high	91.9	Very high	105 Å²	105	51.2 Å²	51.2	56%	0.561	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	20.1	178.6	-54.4	-15.5	0	0	0	115.2	R231 E257	R231-N233 PolarHBondContact O-N 3.2Å; N233-E257 PolarHBondContact O-N 2.79Å
234	K	94.5	Very high	91.3	Very high	58 Å²	58	54.6 Å²	54.6	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.4	176.4	-65.8	-61.6	-168.6	178.2	0	111	S229 R231 K232 E254 V255 D256	S229-K234 WeakPolarHBondContact CB-O 3.38Å; S229-K234 PolarHBondContact N-O 3.37Å; R231-K234 HydrophobicContact CB-CB 4.03Å; R231-K234 HydrophobicContact CB-CG 3.89Å; R231-K234 PolarHBondContact O-N 3.06Å; K232-K234 PolarHBondContact O-N 3.38Å; K234-E254 HydrophobicContact CB-CG 3.91Å; K234-E254 HydrophobicContact CD-CG 4.33Å; K234-E254 HydrophobicContact CG-CG 4.28Å; K234-V255 CarbonylContact C-O 3.56Å; K234-V255 WeakPolarHBondContact CA-O 3.36Å; K234-V255 WeakPolarHBondContact CD-O 3.34Å; K234-D256 WeakPolarHBondContact CD-OD1 3.47Å; K234-D256 VanDerWaalsContact CE-OD1 3.25Å; K234-D256 WeakPolarHBondContact CE-OD1 3.31Å; K234-D256 IonicContact NZ-OD1 3.79Å; K234-D256 PolarHBondContact NZ-OD1 2.82Å; K234-D256 IonicContact NZ-OD2 3.83Å; K234-D256 PolarHBondContact NZ-OD2 3.16Å
235	L	94.8	Very high	90.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.3	175	-59.8	179.6	0	0	0	109.5	V226 L227 R228 E254 V255 E257 T262 F266	V226-L235 HydrophobicContact CG1-CB 3.9Å; V226-L235 HydrophobicContact CG1-CD1 3.9Å; V226-L235 HydrophobicContact CG1-CD2 4.43Å; V226-L235 HydrophobicContact CG1-CG 4.3Å; L227-L235 CarbonylContact O-C 3.57Å; L227-L235 WeakPolarHBondContact O-CA 3.28Å; R228-L235 HydrophobicContact CG-CD2 4.04Å; L235-E254 CarbonylContact O-C 3.56Å; L235-E254 VanDerWaalsContact O-CA 3.29Å; L235-E254 WeakPolarHBondContact O-CA 3.4Å; L235-V255 HydrophobicContact CB-CG2 4.04Å; L235-V255 PolarHBondContact N-O 3.15Å; L235-V255 PolarHBondContact O-N 3.1Å; L235-E257 HydrophobicContact CD1-CB 4.08Å; L235-E257 HydrophobicContact CD1-CG 4.14Å; L235-E257 HydrophobicContact CD2-CB 4.03Å; L235-E257 HydrophobicContact CD2-CG 3.99Å; L235-E257 HydrophobicContact CG-CB 3.79Å; L235-E257 HydrophobicContact CG-CG 4.15Å; L235-T262 HydrophobicContact CD1-CG2 4.01Å; L235-F266 HydrophobicContact CD2-CE2 3.62Å; L235-F266 HydrophobicContact CD2-CZ 4.27Å
236	N	94.7	Very high	89.9	Confident	32 Å²	32	67.9 Å²	67.9	17%	0.171	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.9	167.8	-70.5	-14.4	0	0	0	108.2	V226 L227 S229 Y238 E254	V226-N236 WeakPolarHBondContact CA-O 3.45Å; L227-N236 PolarHBondContact N-O 3.44Å; L227-N236 PolarHBondContact O-N 3.48Å; S229-N236 WeakPolarHBondContact CB-OD1 3.46Å; N236-Y238 HydrophobicContact CB-CE2 4.14Å; N236-E254 PolarHBondContact OD1-OE2 2.97Å
237	I	94.2	Very high	89.4	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.7	-177.1	-57.3	170.2	0	0	0	107.8	V226 S239 Q252 S253 V255 Y285	V226-I237 HydrophobicContact CB-CG1 4.45Å; V226-I237 HydrophobicContact CG1-CG1 3.85Å; V226-I237 HydrophobicContact CG2-CG1 4.06Å; V226-I237 HydrophobicContact CG2-CG2 4.14Å; I237-S239 VanDerWaalsContact CG2-OG 3.24Å; I237-S239 WeakPolarHBondContact CG2-OG 3.4Å; I237-Q252 WeakPolarHBondContact O-CA 3.38Å; I237-S253 PolarHBondContact N-O 3.39Å; I237-S253 PolarHBondContact O-N 3.47Å; I237-V255 HydrophobicContact CD1-CB 4.32Å; I237-V255 HydrophobicContact CD1-CG1 3.97Å; I237-V255 HydrophobicContact CD1-CG2 3.37Å; I237-V255 HydrophobicContact CG1-CG2 4.24Å; I237-Y285 HydrophobicContact CD1-CD1 3.64Å; I237-Y285 HydrophobicContact CD1-CD2 3.73Å; I237-Y285 HydrophobicContact CD1-CE1 3.6Å; I237-Y285 HydrophobicContact CD1-CE2 3.72Å; I237-Y285 HydrophobicContact CD1-CG 3.7Å; I237-Y285 HydrophobicContact CG2-CE1 4.15Å; I237-Y285 HydrophobicContact CG2-CE2 4.04Å; I237-Y285 WeakPolarHBondContact CG2-OH 3.36Å
238	Y	95	Very high	89.2	Confident	30 Å²	30	75.6 Å²	75.6	12%	0.118	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.1	171.9	-54.3	-100.5	0	0	0	107.1	M203 V207 S224 I225 L227 N236 Q252	M203-Y238 HydrophobicContact CG-CE1 4.11Å; M203-Y238 HydrophobicContact CG-CE2 4.31Å; V207-Y238 HydrophobicContact CG2-CD1 4.33Å; V207-Y238 HydrophobicContact CG2-CD2 4.49Å; V207-Y238 HydrophobicContact CG2-CG 3.95Å; S224-Y238 CarbonylContact C-O 3.54Å; S224-Y238 WeakPolarHBondContact CA-O 3.31Å; S224-Y238 WeakPolarHBondContact CB-O 3.42Å; I225-Y238 PolarHBondContact N-O 3.49Å; I225-Y238 PolarHBondContact O-N 2.89Å; L227-Y238 HydrophobicContact CD1-CE2 4.1Å; L227-Y238 HydrophobicContact CG-CE2 4.43Å; N236-Y238 HydrophobicContact CB-CE2 4.14Å; Y238-Q252 HydrophobicContact CD1-CG 4.12Å; Y238-Q252 HydrophobicContact CE1-CG 4.13Å; Y238-Q252 PolarHBondContact OH-NE2 3.12Å
239	S	92.6	Very high	89.1	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.028	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.8	-175.3	-51.4	0	0	0	0	110.9	S224 I237 H241 H250 E251 Y285	S224-S239 VanDerWaalsContact OG-CB 3.26Å; S224-S239 WeakPolarHBondContact OG-CB 3.47Å; S224-S239 PolarHBondContact OG-OG 2.99Å; I237-S239 VanDerWaalsContact CG2-OG 3.24Å; I237-S239 WeakPolarHBondContact CG2-OG 3.4Å; S239-H241 VanDerWaalsContact CB-CE1 3.47Å; S239-H241 WeakPolarHBondContact CB-CE1 3.41Å; S239-H250 WeakPolarHBondContact O-CA 3.44Å; S239-E251 PolarHBondContact N-O 3.1Å; S239-E251 PolarHBondContact O-N 2.96Å; S239-Y285 PolarHBondContact OG-OH 2.9Å
240	T	94	Very high	89.2	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	114.2	170.4	-59.2	0	0	0	0	108.8	A211 I223 Y242 P248 A249 H250	A211-T240 VanDerWaalsContact CB-CB 3.5Å; A211-T240 HydrophobicContact CB-CG2 3.77Å; I223-T240 PolarHBondContact N-O 2.89Å; I223-T240 VanDerWaalsContact N-O 3.16Å; I223-T240 PolarHBondContact O-N 3.35Å; T240-Y242 HydrophobicContact CG2-CD2 4.27Å; T240-Y242 HydrophobicContact CG2-CE2 3.54Å; T240-P248 HydrophobicContact CG2-CB 3.73Å; T240-P248 HydrophobicContact CG2-CG 4.43Å; T240-A249 WeakPolarHBondContact CA-O 3.15Å; T240-H250 PolarHBondContact OG1-ND1 2.73Å
241	H	91.2	Very high	89.6	Confident	11 Å²	11	71.2 Å²	71.2	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.5	-175.6	-51.8	-59.7	0	0	0	110.4	D222 S239 L243 P248 A249 E251 W293	D222-H241 IonicContact OD1-CE1 2.74Å; D222-H241 PolarHBondContact OD1-CE1 2.93Å; D222-H241 IonicContact OD1-CG 3.89Å; D222-H241 IonicContact OD1-ND1 2.73Å; D222-H241 PolarHBondContact OD1-ND1 3.13Å; S239-H241 VanDerWaalsContact CB-CE1 3.47Å; S239-H241 WeakPolarHBondContact CB-CE1 3.41Å; H241-L243 VanDerWaalsContact C-N 3.31Å; H241-L243 PolarHBondContact O-N 3.01Å; H241-P248 WeakPolarHBondContact O-CA 3.5Å; H241-A249 HydrophobicContact CB-CB 4.35Å; H241-A249 PolarHBondContact N-O 3.45Å; H241-A249 PolarHBondContact O-N 3.44Å; H241-E251 IonicContact NE2-OE2 3.16Å; H241-W293 HydrophobicContact CB-CZ2 4.39Å; H241-W293 AromaticContact CE1-CH2 3.8Å; H241-W293 AromaticContact ND1-CH2 3.21Å; H241-W293 WeakPolarHBondContact ND1-CH2 3.37Å; H241-W293 AromaticContact ND1-CZ2 3.75Å
242	Y	89.6	Confident	89.9	Confident	17 Å²	17	68.9 Å²	68.9	7%	0.067	34%	0.336	C	S	.	.			trans	-92.2	49.4	179.7	-71.8	-88.6	0	0	0	112.8	A211 K212 H215 D221 I223 T240 D244 P248	A211-Y242 HydrophobicContact CB-CE2 4.24Å; A211-Y242 PolarHBondContact O-OH 3.07Å; K212-Y242 WeakPolarHBondContact CA-OH 3.41Å; K212-Y242 PolarHBondContact N-OH 2.83Å; K212-Y242 VanDerWaalsContact N-OH 3.1Å; H215-Y242 HydrophobicContact CB-CD1 4.27Å; H215-Y242 HydrophobicContact CB-CD2 4.02Å; H215-Y242 HydrophobicContact CB-CE1 3.91Å; H215-Y242 HydrophobicContact CB-CE2 3.64Å; H215-Y242 HydrophobicContact CB-CG 4.33Å; H215-Y242 AromaticContact CD2-CD1 3.52Å; H215-Y242 AromaticContact CD2-CE1 3.58Å; H215-Y242 AromaticContact CE1-CD1 3.73Å; H215-Y242 AromaticContact CE1-CG 3.7Å; H215-Y242 AromaticContact CG-CD1 3.56Å; H215-Y242 AromaticContact CG-CD2 3.87Å; H215-Y242 AromaticContact CG-CE1 3.62Å; H215-Y242 AromaticContact CG-CE2 3.93Å; H215-Y242 AromaticContact CG-CG 3.7Å; H215-Y242 AromaticContact CG-CZ 3.82Å; H215-Y242 AromaticContact ND1-CD1 3.68Å; H215-Y242 AromaticContact ND1-CD2 3.72Å; H215-Y242 AromaticContact ND1-CG 3.43Å; H215-Y242 AromaticContact NE2-CD1 3.64Å; D221-Y242 PolarHBondContact O-N 2.78Å; I223-Y242 HydrophobicContact CD1-CD2 4.48Å; I223-Y242 HydrophobicContact CD1-CE2 4Å; T240-Y242 HydrophobicContact CG2-CD2 4.27Å; T240-Y242 HydrophobicContact CG2-CE2 3.54Å; Y242-D244 VanDerWaalsContact C-N 3.31Å; Y242-P248 HydrophobicContact CD1-CB 3.86Å; Y242-P248 HydrophobicContact CD1-CG 4.47Å; Y242-P248 HydrophobicContact CE1-CB 3.69Å; Y242-P248 HydrophobicContact CE1-CG 3.93Å; Y242-P248 HydrophobicContact CG-CB 4.37Å
243	L	82.7	Confident	90	Very high	119 Å²	119	61.3 Å²	61.3	62%	0.623	31%	0.306	S	S	*	.	S	Bend	trans	-64.6	-36.6	172.8	-65.3	169.1	0	0	0	111.9	H241	H241-L243 VanDerWaalsContact C-N 3.31Å; H241-L243 PolarHBondContact O-N 3.01Å
244	D	82	Confident	90.1	Very high	72 Å²	72	59.7 Å²	59.7	39%	0.385	30%	0.296	S	S	.	.	S	Bend	trans	-118.6	117.5	165	176.2	3.7	0	0	0	108.3	Y242 Q246 H247	Y242-D244 VanDerWaalsContact C-N 3.31Å; D244-Q246 PolarHBondContact O-N 3.46Å; D244-Q246 VanDerWaalsContact O-N 3.12Å; D244-Q246 PolarHBondContact OD1-N 3.31Å; D244-H247 CarbonylContact O-C 3.55Å; D244-H247 VanDerWaalsContact O-C 3.28Å; D244-H247 PolarHBondContact O-N 3.32Å; D244-H247 VanDerWaalsContact O-N 3.13Å; D244-H247 IonicContact OD2-CG 2.96Å; D244-H247 IonicContact OD2-ND1 3.15Å; D244-H247 PolarHBondContact OD2-ND1 2.88Å
245	K	79.6	Confident	90	Very high	121 Å²	121	58.4 Å²	58.4	53%	0.526	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.5	180	-62.5	-163.6	-179	-158.8	0	113.1	D219	D219-K245 IonicContact OD1-NZ 4Å; D219-K245 PolarHBondContact OD1-NZ 3.23Å; D219-K245 IonicContact OD2-NZ 2.69Å; D219-K245 PolarHBondContact OD2-NZ 3.35Å
246	Q	82.1	Confident	89.9	Confident	160 Å²	160	62.7 Å²	62.7	75%	0.748	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-25.2	179.6	-63.5	-175.8	0.7	0	0	113.2	D244	D244-Q246 PolarHBondContact O-N 3.46Å; D244-Q246 VanDerWaalsContact O-N 3.12Å; D244-Q246 PolarHBondContact OD1-N 3.31Å
247	H	86.1	Confident	89.8	Confident	131 Å²	131	62.2 Å²	62.2	61%	0.606	31%	0.312	S	S	*	.	S	Bend	trans	-137.7	74.3	-176	-53.1	96.2	0	0	0	110	D244	D244-H247 CarbonylContact O-C 3.55Å; D244-H247 VanDerWaalsContact O-C 3.28Å; D244-H247 PolarHBondContact O-N 3.32Å; D244-H247 VanDerWaalsContact O-N 3.13Å; D244-H247 IonicContact OD2-CG 2.96Å; D244-H247 IonicContact OD2-ND1 3.15Å; D244-H247 PolarHBondContact OD2-ND1 2.88Å
248	P	89.7	Confident	89.6	Confident	37 Å²	37	65.6 Å²	65.6	24%	0.24	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-61.5	142.6	177	26.7	-34.2	0	0	0	110.7	T240 H241 Y242	T240-P248 HydrophobicContact CG2-CB 3.73Å; T240-P248 HydrophobicContact CG2-CG 4.43Å; H241-P248 WeakPolarHBondContact O-CA 3.5Å; Y242-P248 HydrophobicContact CD1-CB 3.86Å; Y242-P248 HydrophobicContact CD1-CG 4.47Å; Y242-P248 HydrophobicContact CE1-CB 3.69Å; Y242-P248 HydrophobicContact CE1-CG 3.93Å; Y242-P248 HydrophobicContact CG-CB 4.37Å
249	A	89.9	Confident	89.3	Confident	50 Å²	50	66.9 Å²	66.9	41%	0.413	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.9	175.1	0	0	0	0	0	109.6	T240 H241	T240-A249 WeakPolarHBondContact CA-O 3.15Å; H241-A249 HydrophobicContact CB-CB 4.35Å; H241-A249 PolarHBondContact N-O 3.45Å; H241-A249 PolarHBondContact O-N 3.44Å
250	H	92.1	Very high	89.3	Confident	107 Å²	107	66.9 Å²	66.9	50%	0.495	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.9	174.5	-57.8	-65.5	0	0	0	109.6	S208 S239 T240	S208-H250 PolarHBondContact OG-CE1 3.16Å; S239-H250 WeakPolarHBondContact O-CA 3.44Å; T240-H250 PolarHBondContact OG1-ND1 2.73Å
251	E	90.6	Very high	89.2	Confident	90 Å²	90	67.7 Å²	67.7	42%	0.421	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.9	179.1	-173.1	176.8	169.4	0	0	111	S239 H241	S239-E251 PolarHBondContact N-O 3.1Å; S239-E251 PolarHBondContact O-N 2.96Å; H241-E251 IonicContact NE2-OE2 3.16Å
252	Q	92.1	Very high	89.4	Confident	116 Å²	116	67.2 Å²	67.2	54%	0.542	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.8	170.2	-167.2	-174.2	24.7	0	0	109.7	I237 Y238	I237-Q252 WeakPolarHBondContact O-CA 3.38Å; Y238-Q252 HydrophobicContact CD1-CG 4.12Å; Y238-Q252 HydrophobicContact CE1-CG 4.13Å; Y238-Q252 PolarHBondContact OH-NE2 3.12Å
253	S	91.7	Very high	89.6	Confident	25 Å²	25	68.4 Å²	68.4	18%	0.175	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.4	177.2	57.1	0	0	0	0	112	I237	I237-S253 PolarHBondContact N-O 3.39Å; I237-S253 PolarHBondContact O-N 3.47Å
254	E	93.3	Very high	90.1	Very high	72 Å²	72	68.9 Å²	68.9	34%	0.336	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.7	171.1	-176.3	175.3	80	0	0	109	S229 R231 K234 L235 N236	S229-E254 WeakPolarHBondContact CB-OE2 3.39Å; S229-E254 PolarHBondContact OG-OE2 2.89Å; R231-E254 WeakPolarHBondContact CD-OE1 3.48Å; R231-E254 IonicContact CZ-OE1 2.84Å; R231-E254 IonicContact NH1-OE1 3.44Å; R231-E254 PolarHBondContact NH1-OE1 3.35Å; K234-E254 HydrophobicContact CB-CG 3.91Å; K234-E254 HydrophobicContact CD-CG 4.33Å; K234-E254 HydrophobicContact CG-CG 4.28Å; L235-E254 CarbonylContact O-C 3.56Å; L235-E254 VanDerWaalsContact O-CA 3.29Å; L235-E254 WeakPolarHBondContact O-CA 3.4Å; N236-E254 PolarHBondContact OD1-OE2 2.97Å
255	V	92.9	Very high	90.8	Very high	30 Å²	30	65.4 Å²	65.4	18%	0.182	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	165.2	-177.7	-54.1	0	0	0	0	111.4	K234 L235 I237 Y285	K234-V255 CarbonylContact C-O 3.56Å; K234-V255 WeakPolarHBondContact CA-O 3.36Å; K234-V255 WeakPolarHBondContact CD-O 3.34Å; L235-V255 HydrophobicContact CB-CG2 4.04Å; L235-V255 PolarHBondContact N-O 3.15Å; L235-V255 PolarHBondContact O-N 3.1Å; I237-V255 HydrophobicContact CD1-CB 4.32Å; I237-V255 HydrophobicContact CD1-CG1 3.97Å; I237-V255 HydrophobicContact CD1-CG2 3.37Å; I237-V255 HydrophobicContact CG1-CG2 4.24Å; V255-Y285 HydrophobicContact CG1-CD2 4.3Å; V255-Y285 HydrophobicContact CG1-CG 4.45Å
256	D	92.5	Very high	91.5	Very high	91 Å²	91	60.4 Å²	60.4	49%	0.487	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.6	171.3	-74.8	-59.5	0	0	0	111.2	K234 A258 T260	K234-D256 WeakPolarHBondContact CD-OD1 3.47Å; K234-D256 VanDerWaalsContact CE-OD1 3.25Å; K234-D256 WeakPolarHBondContact CE-OD1 3.31Å; K234-D256 IonicContact NZ-OD1 3.79Å; K234-D256 PolarHBondContact NZ-OD1 2.82Å; K234-D256 IonicContact NZ-OD2 3.83Å; K234-D256 PolarHBondContact NZ-OD2 3.16Å; D256-A258 VanDerWaalsContact C-N 3.32Å; D256-T260 WeakPolarHBondContact O-CG2 3.42Å
257	E	92.4	Very high	92.1	Very high	22 Å²	22	60 Å²	60	10%	0.103	32%	0.319	C	S	.	.	S	Bend	trans	-65.6	-38	176	-177.1	172.9	157.4	0	0	111.1	R228 N233 L235 G259 T260 E263	R228-E257 IonicContact CZ-OE1 2.92Å; R228-E257 IonicContact CZ-OE2 3.07Å; R228-E257 IonicContact NE-OE1 3.37Å; R228-E257 IonicContact NE-OE2 3.7Å; R228-E257 PolarHBondContact NE-OE2 3.1Å; R228-E257 VanDerWaalsContact NE-OE2 3.16Å; R228-E257 IonicContact NH2-OE1 3.52Å; R228-E257 PolarHBondContact NH2-OE1 3.46Å; R228-E257 IonicContact NH2-OE2 2.77Å; N233-E257 PolarHBondContact O-N 2.79Å; L235-E257 HydrophobicContact CD1-CB 4.08Å; L235-E257 HydrophobicContact CD1-CG 4.14Å; L235-E257 HydrophobicContact CD2-CB 4.03Å; L235-E257 HydrophobicContact CD2-CG 3.99Å; L235-E257 HydrophobicContact CG-CB 3.79Å; L235-E257 HydrophobicContact CG-CG 4.15Å; E257-G259 PolarHBondContact O-N 3.4Å; E257-T260 PolarHBondContact O-N 3.31Å; E257-T260 PolarHBondContact O-OG1 2.77Å; E257-E263 HydrophobicContact CG-CB 4.26Å; E257-E263 HydrophobicContact CG-CG 4.3Å; E257-E263 WeakPolarHBondContact O-CB 3.37Å
258	A	90.7	Very high	92.5	Very high	72 Å²	72	56.7 Å²	56.7	60%	0.595	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	129.5	-172.7	0	0	0	0	0	112.8	D256 T260	D256-A258 VanDerWaalsContact C-N 3.32Å; A258-T260 VanDerWaalsContact C-N 3.26Å; A258-T260 PolarHBondContact O-N 2.92Å
259	G	88.6	Confident	92.7	Very high	56 Å²	56	59.9 Å²	59.9	58%	0.577	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-10.4	177.4	0	0	0	0	0	114.6	E257 E263	E257-G259 PolarHBondContact O-N 3.4Å; G259-E263 PolarHBondContact N-OE2 3.26Å
260	T	92	Very high	93	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.025	33%	0.333	C	S	.	.	S	Bend	trans	-72.7	155	179.7	65	0	0	0	0	111.9	D256 E257 A258 T262 E263 A283	D256-T260 WeakPolarHBondContact O-CG2 3.42Å; E257-T260 PolarHBondContact O-N 3.31Å; E257-T260 PolarHBondContact O-OG1 2.77Å; A258-T260 VanDerWaalsContact C-N 3.26Å; A258-T260 PolarHBondContact O-N 2.92Å; T260-T262 PolarHBondContact O-N 3.34Å; T260-E263 WeakPolarHBondContact O-CB 3.2Å; T260-E263 PolarHBondContact O-N 3.15Å; T260-E263 VanDerWaalsContact O-N 3.15Å; T260-E263 PolarHBondContact OG1-N 3.29Å; T260-E263 VanDerWaalsContact OG1-N 3.14Å; T260-A283 HydrophobicContact CG2-CB 4.09Å
261	L	92.5	Very high	93.2	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-62.2	-30.8	170.9	-65.9	176.8	0	0	0	111.5	E263 R264 V265 L272 I274 L276 E286 L300 L302	L261-E263 VanDerWaalsContact C-N 3.32Å; L261-E263 PolarHBondContact O-N 3.06Å; L261-R264 WeakPolarHBondContact O-CB 3.26Å; L261-R264 PolarHBondContact O-N 2.92Å; L261-R264 VanDerWaalsContact O-N 3.15Å; L261-V265 PolarHBondContact O-N 3.44Å; L261-L272 HydrophobicContact CB-CD2 4.31Å; L261-L272 HydrophobicContact CD2-CD2 4.22Å; L261-I274 HydrophobicContact CD1-CG2 4.22Å; L261-L276 HydrophobicContact CD1-CD1 4.36Å; L261-L276 HydrophobicContact CD1-CD2 4.17Å; L261-E286 HydrophobicContact CD1-CG 3.87Å; L261-E286 HydrophobicContact CG-CG 4.04Å; L261-L300 HydrophobicContact CD1-CD2 3.79Å; L261-L302 HydrophobicContact CB-CD2 3.67Å
262	T	94.1	Very high	93.3	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-40.1	173.9	-47.6	0	0	0	0	111.9	V226 L235 T260 R264 V265 F266 V314	V226-T262 HydrophobicContact CB-CG2 4.04Å; V226-T262 HydrophobicContact CG1-CG2 3.66Å; L235-T262 HydrophobicContact CD1-CG2 4.01Å; T260-T262 PolarHBondContact O-N 3.34Å; T262-R264 VanDerWaalsContact C-N 3.27Å; T262-R264 PolarHBondContact O-N 3.26Å; T262-V265 PolarHBondContact O-N 2.93Å; T262-V265 VanDerWaalsContact O-N 3.12Å; T262-F266 HydrophobicContact CG2-CD2 3.79Å; T262-F266 HydrophobicContact CG2-CE2 3.38Å; T262-F266 HydrophobicContact CG2-CZ 4.19Å; T262-F266 VanDerWaalsContact O-CD2 3.3Å; T262-F266 WeakPolarHBondContact O-CD2 3.39Å; T262-F266 PolarHBondContact O-N 2.91Å; T262-V314 HydrophobicContact CG2-CB 3.87Å; T262-V314 HydrophobicContact CG2-CG2 3.52Å
263	E	94.5	Very high	93.4	Very high	42 Å²	42	56.3 Å²	56.3	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-39.8	175.3	-170.7	-172.3	-177.6	0	0	112	E257 G259 T260 L261 V265 F266 K267	E257-E263 HydrophobicContact CG-CB 4.26Å; E257-E263 HydrophobicContact CG-CG 4.3Å; E257-E263 WeakPolarHBondContact O-CB 3.37Å; G259-E263 PolarHBondContact N-OE2 3.26Å; T260-E263 WeakPolarHBondContact O-CB 3.2Å; T260-E263 PolarHBondContact O-N 3.15Å; T260-E263 VanDerWaalsContact O-N 3.15Å; T260-E263 PolarHBondContact OG1-N 3.29Å; T260-E263 VanDerWaalsContact OG1-N 3.14Å; L261-E263 VanDerWaalsContact C-N 3.32Å; L261-E263 PolarHBondContact O-N 3.06Å; E263-V265 VanDerWaalsContact C-N 3.31Å; E263-V265 PolarHBondContact O-N 3.05Å; E263-F266 PolarHBondContact O-N 3.48Å; E263-K267 VanDerWaalsContact CD-NZ 3.32Å; E263-K267 HydrophobicContact CG-CD 4.39Å; E263-K267 WeakPolarHBondContact O-CG 3.37Å; E263-K267 PolarHBondContact O-N 3.13Å; E263-K267 WeakPolarHBondContact OE1-CE 3.47Å; E263-K267 IonicContact OE1-NZ 3.55Å; E263-K267 PolarHBondContact OE1-NZ 2.95Å; E263-K267 IonicContact OE2-NZ 3.6Å
264	R	93.8	Very high	93.3	Very high	128 Å²	128	57.2 Å²	57.2	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-38.9	177.7	-64.2	176.6	57.5	-170.9	-4.5	111.6	L261 T262 K267 S268	L261-R264 WeakPolarHBondContact O-CB 3.26Å; L261-R264 PolarHBondContact O-N 2.92Å; L261-R264 VanDerWaalsContact O-N 3.15Å; T262-R264 VanDerWaalsContact C-N 3.27Å; T262-R264 PolarHBondContact O-N 3.26Å; R264-K267 PolarHBondContact O-N 3Å; R264-S268 WeakPolarHBondContact O-CB 3.43Å; R264-S268 PolarHBondContact O-N 3.35Å; R264-S268 PolarHBondContact O-OG 3.43Å
265	V	96.1	Very high	93	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-71.4	-40.2	176.6	178.6	0	0	0	0	110.9	L261 T262 E263 K267 S268 K269 L272 L302 P304 M311 V314	L261-V265 PolarHBondContact O-N 3.44Å; T262-V265 PolarHBondContact O-N 2.93Å; T262-V265 VanDerWaalsContact O-N 3.12Å; E263-V265 VanDerWaalsContact C-N 3.31Å; E263-V265 PolarHBondContact O-N 3.05Å; V265-K267 VanDerWaalsContact C-N 3.26Å; V265-K267 PolarHBondContact O-N 3.13Å; V265-S268 PolarHBondContact O-N 3.25Å; V265-K269 VanDerWaalsContact O-CA 3.29Å; V265-K269 WeakPolarHBondContact O-CA 3.19Å; V265-K269 PolarHBondContact O-N 3.07Å; V265-L272 HydrophobicContact CG2-CB 3.74Å; V265-L272 HydrophobicContact CG2-CD2 4.33Å; V265-L302 HydrophobicContact CG2-CB 3.74Å; V265-L302 HydrophobicContact CG2-CD2 3.96Å; V265-P304 HydrophobicContact CG1-CB 3.95Å; V265-M311 HydrophobicContact CG1-CE 3.94Å; V265-V314 HydrophobicContact CB-CG2 3.96Å; V265-V314 HydrophobicContact CG1-CG1 4.28Å; V265-V314 HydrophobicContact CG1-CG2 3.68Å
266	F	94.6	Very high	92.6	Very high	15 Å²	15	55 Å²	55	7%	0.066	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-38.1	172.6	-80.8	-57.3	0	0	0	112.8	R228 L235 T262 E263 M311 V314	R228-F266 HydrophobicContact CG-CE1 4.4Å; R228-F266 HydrophobicContact CG-CE2 4.36Å; R228-F266 HydrophobicContact CG-CZ 3.98Å; L235-F266 HydrophobicContact CD2-CE2 3.62Å; L235-F266 HydrophobicContact CD2-CZ 4.27Å; T262-F266 HydrophobicContact CG2-CD2 3.79Å; T262-F266 HydrophobicContact CG2-CE2 3.38Å; T262-F266 HydrophobicContact CG2-CZ 4.19Å; T262-F266 VanDerWaalsContact O-CD2 3.3Å; T262-F266 WeakPolarHBondContact O-CD2 3.39Å; T262-F266 PolarHBondContact O-N 2.91Å; E263-F266 PolarHBondContact O-N 3.48Å; F266-M311 HydrophobicContact CD1-CE 3.61Å; F266-M311 HydrophobicContact CD1-CG 3.43Å; F266-M311 VanDerWaalsContact CD1-CG 3.43Å; F266-M311 HydrophobicContact CD1-SD 4.41Å; F266-M311 HydrophobicContact CE1-CE 3.85Å; F266-M311 HydrophobicContact CE1-CG 3.71Å; F266-M311 HydrophobicContact CG-CE 4.35Å; F266-V314 HydrophobicContact CZ-CG2 4.47Å
267	K	93.9	Very high	92.2	Very high	152 Å²	152	54.7 Å²	54.7	66%	0.661	29%	0.287	S	S	*	.	H	α-helix	trans	-76	-45.7	179.4	-73	175.3	-176	168	0	113.2	E263 R264 V265	E263-K267 VanDerWaalsContact CD-NZ 3.32Å; E263-K267 HydrophobicContact CG-CD 4.39Å; E263-K267 WeakPolarHBondContact O-CG 3.37Å; E263-K267 PolarHBondContact O-N 3.13Å; E263-K267 WeakPolarHBondContact OE1-CE 3.47Å; E263-K267 IonicContact OE1-NZ 3.55Å; E263-K267 PolarHBondContact OE1-NZ 2.95Å; E263-K267 IonicContact OE2-NZ 3.6Å; R264-K267 PolarHBondContact O-N 3Å; V265-K267 VanDerWaalsContact C-N 3.26Å; V265-K267 PolarHBondContact O-N 3.13Å
268	S	95.5	Very high	91.5	Very high	62 Å²	62	59.6 Å²	59.6	43%	0.434	31%	0.31	S	S	.	.	H	α-helix	trans	-79.6	-29.8	-177.1	56.2	0	0	0	0	113.1	R264 V265 E270	R264-S268 WeakPolarHBondContact O-CB 3.43Å; R264-S268 PolarHBondContact O-N 3.35Å; R264-S268 PolarHBondContact O-OG 3.43Å; V265-S268 PolarHBondContact O-N 3.25Å; S268-E270 PolarHBondContact O-N 3.04Å; S268-E270 PolarHBondContact OG-N 3Å
269	K	94.1	Very high	91	Very high	104 Å²	104	67.8 Å²	67.8	45%	0.452	33%	0.325	S	S	.	.			trans	55.7	23.7	-165.8	-56.6	-175.2	175	-169	0	113.2	V265 M306 D309	V265-K269 VanDerWaalsContact O-CA 3.29Å; V265-K269 WeakPolarHBondContact O-CA 3.19Å; V265-K269 PolarHBondContact O-N 3.07Å; K269-M306 HydrophobicContact CD-CE 4.04Å; K269-M306 HydrophobicContact CD-SD 4.39Å; K269-D309 PolarHBondContact NZ-O 2.94Å
270	E	95.5	Very high	90.7	Very high	139 Å²	139	67.8 Å²	67.8	65%	0.65	31%	0.312	S	S	*	.	S	Bend	trans	-115.9	154.2	179.9	-69	-173.5	170	0	0	111.2	S268 L272	S268-E270 PolarHBondContact O-N 3.04Å; S268-E270 PolarHBondContact OG-N 3Å; E270-L272 PolarHBondContact O-N 3.44Å
271	M	95.2	Very high	90.3	Very high	48 Å²	48	75.8 Å²	75.8	24%	0.236	36%	0.355	C	S	.	.			trans	-62.5	132	173.7	177.6	-173.3	83.7	0	0	110	L302 L303 L330 R334	M271-L302 VanDerWaalsContact CA-O 3.31Å; M271-L302 WeakPolarHBondContact CA-O 3.25Å; M271-L303 HydrophobicContact CB-CD2 4.16Å; M271-L303 HydrophobicContact CG-CD2 3.62Å; M271-L303 HydrophobicContact CG-CG 4.45Å; M271-L303 HydrophobicContact SD-CD2 3.65Å; M271-L330 HydrophobicContact CE-CD1 4.31Å; M271-L330 HydrophobicContact CE-CD2 4.4Å; M271-L330 HydrophobicContact SD-CD2 4.12Å; M271-R334 PolarHBondContact SD-NH2 3.39Å; M271-R334 VanDerWaalsContact SD-NH2 3.45Å
272	L	94.4	Very high	89.7	Confident	25 Å²	25	75.9 Å²	75.9	13%	0.131	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.9	173.9	177.8	65.9	0	0	0	109.5	L261 V265 E270 L302	L261-L272 HydrophobicContact CB-CD2 4.31Å; L261-L272 HydrophobicContact CD2-CD2 4.22Å; V265-L272 HydrophobicContact CG2-CB 3.74Å; V265-L272 HydrophobicContact CG2-CD2 4.33Å; E270-L272 PolarHBondContact O-N 3.44Å; L272-L302 HydrophobicContact CB-CB 4.27Å; L272-L302 PolarHBondContact N-O 3.29Å; L272-L302 PolarHBondContact O-N 2.84Å
273	L	92.7	Very high	89.2	Confident	76 Å²	76	76.5 Å²	76.5	40%	0.398	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.5	170.9	-176.1	69	0	0	0	108.5	T299 L300 C301 F325 L330	L273-T299 HydrophobicContact CD1-CG2 3.84Å; L273-L300 WeakPolarHBondContact CA-O 3.13Å; L273-C301 HydrophobicContact CD1-CB 3.97Å; L273-F325 HydrophobicContact CD1-CB 4.05Å; L273-F325 HydrophobicContact CD1-CD2 4.17Å; L273-F325 HydrophobicContact CD1-CG 4.01Å; L273-L330 HydrophobicContact CD1-CD2 4.47Å; L273-L330 HydrophobicContact CD2-CD1 3.96Å
274	I	90	Very high	88.7	Confident	44 Å²	44	80 Å²	80	23%	0.226	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143	-176.3	-169.8	166.7	0	0	0	111.1	L261 L276 L300	L261-I274 HydrophobicContact CD1-CG2 4.22Å; I274-L276 HydrophobicContact CD1-CD2 4.41Å; I274-L276 HydrophobicContact CG2-CD2 4.32Å; I274-L300 HydrophobicContact CG2-CB 4Å; I274-L300 PolarHBondContact N-O 2.95Å; I274-L300 PolarHBondContact O-N 3.3Å
275	N	87.4	Confident	88.2	Confident	53 Å²	53	74.4 Å²	74.4	28%	0.283	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.7	165.4	-73.3	-25.8	0	0	0	108.2	I297 T299 E322	N275-I297 HydrophobicContact CB-CG2 4.35Å; N275-T299 WeakPolarHBondContact OD1-CA 3.49Å; N275-T299 VanDerWaalsContact OD1-CB 3.29Å; N275-T299 WeakPolarHBondContact OD1-CB 3.29Å; N275-T299 VanDerWaalsContact OD1-CG2 3.27Å; N275-T299 WeakPolarHBondContact OD1-CG2 3.27Å; N275-T299 PolarHBondContact OD1-OG1 2.67Å; N275-E322 PolarHBondContact ND2-OE1 3.3Å
276	L	84	Confident	87.7	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.01	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.6	174.8	-70.8	-171.7	0	0	0	111.1	L261 I274 L282 F290 Q298 L300	L261-L276 HydrophobicContact CD1-CD1 4.36Å; L261-L276 HydrophobicContact CD1-CD2 4.17Å; I274-L276 HydrophobicContact CD1-CD2 4.41Å; I274-L276 HydrophobicContact CG2-CD2 4.32Å; L276-L282 HydrophobicContact CD1-CD1 4.5Å; L276-L282 HydrophobicContact CD1-CD2 3.9Å; L276-L282 HydrophobicContact CD2-CD2 3.59Å; L276-L282 HydrophobicContact CG-CD2 4.27Å; L276-F290 HydrophobicContact CB-CD2 4.36Å; L276-Q298 PolarHBondContact N-O 2.87Å; L276-L300 HydrophobicContact CB-CD1 4.38Å; L276-L300 HydrophobicContact CD1-CD1 3.66Å; L276-L300 HydrophobicContact CD1-CD2 3.61Å; L276-L300 HydrophobicContact CD1-CG 4.26Å; L276-L300 HydrophobicContact CG-CD1 3.83Å; L276-L300 HydrophobicContact CG-CD2 4.22Å
277	H	83.7	Confident	87.3	Confident	85 Å²	85	79.9 Å²	79.9	39%	0.394	39%	0.386	S	S	.	.			trans	-120.3	151.1	175.4	-59.1	-64.1	0	0	0	110.4	R279 D280	H277-R279 PolarHBondContact O-N 2.82Å; H277-D280 PolarHBondContact N-OD2 2.95Å; H277-D280 VanDerWaalsContact O-CB 3.32Å; H277-D280 WeakPolarHBondContact O-CB 3.5Å; H277-D280 PolarHBondContact O-N 3.48Å
278	E	78.2	Confident	86.7	Confident	125 Å²	125	75.5 Å²	75.5	58%	0.584	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.4	179.7	-171.7	-177.7	-170.9	0	0	113.8	F290	E278-F290 HydrophobicContact CB-CE1 3.7Å; E278-F290 HydrophobicContact CB-CZ 3.9Å; E278-F290 HydrophobicContact CG-CE1 4.05Å
279	R	80	Confident	86	Confident	243 Å²	243	72.6 Å²	72.6	92%	0.917	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.1	-179.7	-60.7	-178.6	-177.6	-179.8	1.3	113.8	H277	H277-R279 PolarHBondContact O-N 2.82Å
280	D	82.9	Confident	85.3	Confident	56 Å²	56	67.9 Å²	67.9	30%	0.299	33%	0.328	S	S	.	.	S	Bend	trans	-69.9	145.5	-179.2	-66.3	-27.2	0	0	0	110.3	H277 L282	H277-D280 PolarHBondContact N-OD2 2.95Å; H277-D280 VanDerWaalsContact O-CB 3.32Å; H277-D280 WeakPolarHBondContact O-CB 3.5Å; H277-D280 PolarHBondContact O-N 3.48Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 HydrophobicContact CB-CD2 3.92Å; D280-L282 HydrophobicContact CB-CG 4.2Å; D280-L282 PolarHBondContact O-N 2.76Å
281	D	82.8	Confident	84.7	Confident	172 Å²	172	65.2 Å²	65.2	92%	0.92	32%	0.318	S	S	*	.			trans	-76.8	89.3	173.8	-168.4	21.9	0	0	0	109
282	L	80.8	Confident	83.9	Confident	22 Å²	22	66.1 Å²	66.1	12%	0.115	33%	0.326	C	S	.	.			trans	-92.5	135.4	-176.2	-60.1	179.5	0	0	0	110.9	L276 D280 E286 R287 F290	L276-L282 HydrophobicContact CD1-CD1 4.5Å; L276-L282 HydrophobicContact CD1-CD2 3.9Å; L276-L282 HydrophobicContact CD2-CD2 3.59Å; L276-L282 HydrophobicContact CG-CD2 4.27Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 HydrophobicContact CB-CD2 3.92Å; D280-L282 HydrophobicContact CB-CG 4.2Å; D280-L282 PolarHBondContact O-N 2.76Å; L282-E286 HydrophobicContact CB-CB 4.01Å; L282-E286 HydrophobicContact CD2-CB 4.12Å; L282-E286 HydrophobicContact CG-CB 4.44Å; L282-R287 HydrophobicContact CB-CB 4.03Å; L282-F290 HydrophobicContact CD1-CB 4.05Å; L282-F290 HydrophobicContact CD1-CG 4.3Å
283	A	82.9	Confident	83.2	Confident	13 Å²	13	66.2 Å²	66.2	11%	0.107	33%	0.325	C	S	.	.			trans	-61.6	158.7	166.8	0	0	0	0	0	110.2	T260 Y285 E286 R287	T260-A283 HydrophobicContact CG2-CB 4.09Å; A283-Y285 PolarHBondContact O-N 2.72Å; A283-E286 WeakPolarHBondContact CB-OE2 3.5Å; A283-E286 PolarHBondContact O-N 2.9Å; A283-E286 VanDerWaalsContact O-N 3.13Å; A283-R287 PolarHBondContact O-N 2.85Å
284	P	83.8	Confident	82.4	Confident	116 Å²	116	65.3 Å²	65.3	75%	0.753	33%	0.333	S	S	*	.	H	α-helix	trans	-52.5	-35.4	-173.2	-29.1	35.5	0	0	0	114.5	M288	P284-M288 WeakPolarHBondContact O-CB 3.41Å; P284-M288 PolarHBondContact O-N 2.91Å
285	Y	83.6	Confident	81.4	Confident	10 Å²	10	66.5 Å²	66.5	4%	0.039	34%	0.34	C	S	.	.	H	α-helix	trans	-71	-50.5	178.6	178.8	-109.1	0	0	0	112.8	I237 S239 V255 A283 R287 M288 L289 K316	I237-Y285 HydrophobicContact CD1-CD1 3.64Å; I237-Y285 HydrophobicContact CD1-CD2 3.73Å; I237-Y285 HydrophobicContact CD1-CE1 3.6Å; I237-Y285 HydrophobicContact CD1-CE2 3.72Å; I237-Y285 HydrophobicContact CD1-CG 3.7Å; I237-Y285 HydrophobicContact CG2-CE1 4.15Å; I237-Y285 HydrophobicContact CG2-CE2 4.04Å; I237-Y285 WeakPolarHBondContact CG2-OH 3.36Å; S239-Y285 PolarHBondContact OG-OH 2.9Å; V255-Y285 HydrophobicContact CG1-CD2 4.3Å; V255-Y285 HydrophobicContact CG1-CG 4.45Å; A283-Y285 PolarHBondContact O-N 2.72Å; Y285-R287 PolarHBondContact O-N 3.46Å; Y285-M288 HydrophobicContact CD2-CE 3.68Å; Y285-M288 HydrophobicContact CE2-CE 3.61Å; Y285-M288 PolarHBondContact O-N 2.98Å; Y285-L289 HydrophobicContact CD1-CD1 4Å; Y285-L289 HydrophobicContact CE1-CD1 3.39Å; Y285-L289 HydrophobicContact CE1-CG 4.15Å; Y285-L289 HydrophobicContact CE2-CD1 4.33Å; Y285-L289 HydrophobicContact CE2-CD2 4.41Å; Y285-L289 HydrophobicContact CE2-CG 4.23Å; Y285-L289 PolarHBondContact O-N 3.38Å; Y285-K316 HydrophobicContact CE1-CD 4.37Å
286	E	86.4	Confident	80.7	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-35.1	174.4	-77.9	67.5	-151.8	0	0	112.3	L261 L282 A283 F290 K316	L261-E286 HydrophobicContact CD1-CG 3.87Å; L261-E286 HydrophobicContact CG-CG 4.04Å; L282-E286 HydrophobicContact CB-CB 4.01Å; L282-E286 HydrophobicContact CD2-CB 4.12Å; L282-E286 HydrophobicContact CG-CB 4.44Å; A283-E286 WeakPolarHBondContact CB-OE2 3.5Å; A283-E286 PolarHBondContact O-N 2.9Å; A283-E286 VanDerWaalsContact O-N 3.13Å; E286-F290 WeakPolarHBondContact O-CB 3.21Å; E286-F290 PolarHBondContact O-N 3.33Å; E286-K316 IonicContact OE1-NZ 3.13Å; E286-K316 PolarHBondContact OE1-NZ 3.14Å
287	R	85	Confident	79.7	Confident	129 Å²	129	73.9 Å²	73.9	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-68.3	-44.4	175.4	-171	139.6	-176.1	168.7	4.3	112.3	L282 A283 Y285 L289 F290 D291	L282-R287 HydrophobicContact CB-CB 4.03Å; A283-R287 PolarHBondContact O-N 2.85Å; Y285-R287 PolarHBondContact O-N 3.46Å; R287-L289 VanDerWaalsContact C-N 3.31Å; R287-L289 PolarHBondContact O-N 3Å; R287-F290 PolarHBondContact O-N 3.05Å; R287-F290 VanDerWaalsContact O-N 3.16Å; R287-D291 WeakPolarHBondContact O-CB 3.36Å; R287-D291 PolarHBondContact O-N 2.64Å
288	M	83	Confident	79.4	Confident	61 Å²	61	69.9 Å²	69.9	30%	0.3	36%	0.357	S	S	.	.	H	α-helix	trans	-58.4	-44	174.2	178.7	-79.9	-72.6	0	0	111.4	P284 Y285 D291 T292	P284-M288 WeakPolarHBondContact O-CB 3.41Å; P284-M288 PolarHBondContact O-N 2.91Å; Y285-M288 HydrophobicContact CD2-CE 3.68Å; Y285-M288 HydrophobicContact CE2-CE 3.61Å; Y285-M288 PolarHBondContact O-N 2.98Å; M288-D291 PolarHBondContact O-N 3.41Å; M288-T292 WeakPolarHBondContact O-CB 3.4Å; M288-T292 PolarHBondContact O-N 2.81Å; M288-T292 PolarHBondContact O-OG1 3.25Å
289	L	78.9	Confident	79.9	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-47.5	173.3	-70.7	173	0	0	0	110.8	Y285 R287 D291 T292 W293 K316	Y285-L289 HydrophobicContact CD1-CD1 4Å; Y285-L289 HydrophobicContact CE1-CD1 3.39Å; Y285-L289 HydrophobicContact CE1-CG 4.15Å; Y285-L289 HydrophobicContact CE2-CD1 4.33Å; Y285-L289 HydrophobicContact CE2-CD2 4.41Å; Y285-L289 HydrophobicContact CE2-CG 4.23Å; Y285-L289 PolarHBondContact O-N 3.38Å; R287-L289 VanDerWaalsContact C-N 3.31Å; R287-L289 PolarHBondContact O-N 3Å; L289-D291 VanDerWaalsContact C-N 3.3Å; L289-D291 PolarHBondContact O-N 3.29Å; L289-T292 PolarHBondContact O-N 3.35Å; L289-W293 HydrophobicContact CB-CZ3 4.14Å; L289-W293 HydrophobicContact CD2-CH2 3.82Å; L289-W293 HydrophobicContact CD2-CZ3 3.55Å; L289-W293 HydrophobicContact CG-CZ3 4.45Å; L289-W293 WeakPolarHBondContact O-CZ3 3.43Å; L289-W293 PolarHBondContact O-N 2.96Å; L289-K316 VanDerWaalsContact CD1-NZ 3.29Å
290	F	81.3	Confident	80.4	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.022	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-42.2	178.7	-169.8	-96.6	0	0	0	112.8	L276 E278 L282 E286 R287 N295 Q296	L276-F290 HydrophobicContact CB-CD2 4.36Å; E278-F290 HydrophobicContact CB-CE1 3.7Å; E278-F290 HydrophobicContact CB-CZ 3.9Å; E278-F290 HydrophobicContact CG-CE1 4.05Å; L282-F290 HydrophobicContact CD1-CB 4.05Å; L282-F290 HydrophobicContact CD1-CG 4.3Å; E286-F290 WeakPolarHBondContact O-CB 3.21Å; E286-F290 PolarHBondContact O-N 3.33Å; R287-F290 PolarHBondContact O-N 3.05Å; R287-F290 VanDerWaalsContact O-N 3.16Å; F290-N295 HydrophobicContact CD1-CB 4.2Å; F290-N295 VanDerWaalsContact CE1-CA 3.42Å; F290-N295 HydrophobicContact CE1-CB 3.55Å; F290-N295 HydrophobicContact CZ-CB 4.17Å; F290-N295 WeakPolarHBondContact CZ-O 3.14Å; F290-N295 PolarHBondContact O-N 2.76Å; F290-Q296 WeakPolarHBondContact CE2-O 3.27Å
291	D	82.8	Confident	80.9	Confident	83 Å²	83	50.1 Å²	50.1	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-66.5	-36.6	178.5	-66	-22.1	0	0	0	111.9	R287 M288 L289 W293 G294 N295	R287-D291 WeakPolarHBondContact O-CB 3.36Å; R287-D291 PolarHBondContact O-N 2.64Å; M288-D291 PolarHBondContact O-N 3.41Å; L289-D291 VanDerWaalsContact C-N 3.3Å; L289-D291 PolarHBondContact O-N 3.29Å; D291-W293 VanDerWaalsContact C-N 3.32Å; D291-W293 PolarHBondContact O-N 2.78Å; D291-G294 PolarHBondContact O-N 3.32Å; D291-G294 VanDerWaalsContact O-N 3.13Å; D291-N295 WeakPolarHBondContact CA-OD1 3.35Å; D291-N295 PolarHBondContact OD1-OD1 3.17Å
292	T	78	Confident	81.6	Confident	66 Å²	66	41.9 Å²	41.9	41%	0.405	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-30.8	-176.6	-61.1	0	0	0	0	113	M288 L289 G294	M288-T292 WeakPolarHBondContact O-CB 3.4Å; M288-T292 PolarHBondContact O-N 2.81Å; M288-T292 PolarHBondContact O-OG1 3.25Å; L289-T292 PolarHBondContact O-N 3.35Å; T292-G294 VanDerWaalsContact C-N 3.34Å
293	W	79.1	Confident	82.4	Confident	28 Å²	28	40.9 Å²	40.9	11%	0.106	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	22.9	175.9	-75.2	-107.5	0	0	0	112.5	D222 H241 L289 D291 N295 Q298	D222-W293 HydrophobicContact CB-CH2 3.67Å; D222-W293 HydrophobicContact CB-CZ2 3.4Å; D222-W293 WeakPolarHBondContact OD1-CH2 3.4Å; D222-W293 WeakPolarHBondContact OD1-CZ2 3.42Å; H241-W293 HydrophobicContact CB-CZ2 4.39Å; H241-W293 AromaticContact CE1-CH2 3.8Å; H241-W293 AromaticContact ND1-CH2 3.21Å; H241-W293 WeakPolarHBondContact ND1-CH2 3.37Å; H241-W293 AromaticContact ND1-CZ2 3.75Å; L289-W293 HydrophobicContact CB-CZ3 4.14Å; L289-W293 HydrophobicContact CD2-CH2 3.82Å; L289-W293 HydrophobicContact CD2-CZ3 3.55Å; L289-W293 HydrophobicContact CG-CZ3 4.45Å; L289-W293 WeakPolarHBondContact O-CZ3 3.43Å; L289-W293 PolarHBondContact O-N 2.96Å; D291-W293 VanDerWaalsContact C-N 3.32Å; D291-W293 PolarHBondContact O-N 2.78Å; W293-N295 PolarHBondContact O-N 3.1Å; W293-Q298 VanDerWaalsContact CB-NE2 3.32Å
294	G	76.2	Confident	83.1	Confident	56 Å²	56	41.3 Å²	41.3	58%	0.577	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	34.9	170.7	0	0	0	0	0	114.3	D291 T292 Q296	D291-G294 PolarHBondContact O-N 3.32Å; D291-G294 VanDerWaalsContact O-N 3.13Å; T292-G294 VanDerWaalsContact C-N 3.34Å; G294-Q296 PolarHBondContact O-N 3.45Å; G294-Q296 VanDerWaalsContact O-N 3.16Å
295	N	68.1	Low	83.7	Confident	70 Å²	70	35.8 Å²	35.8	37%	0.374	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	24.6	176.2	-61.4	-0.4	0	0	0	114.6	F290 D291 W293	F290-N295 HydrophobicContact CD1-CB 4.2Å; F290-N295 VanDerWaalsContact CE1-CA 3.42Å; F290-N295 HydrophobicContact CE1-CB 3.55Å; F290-N295 HydrophobicContact CZ-CB 4.17Å; F290-N295 WeakPolarHBondContact CZ-O 3.14Å; F290-N295 PolarHBondContact O-N 2.76Å; D291-N295 WeakPolarHBondContact CA-OD1 3.35Å; D291-N295 PolarHBondContact OD1-OD1 3.17Å; W293-N295 PolarHBondContact O-N 3.1Å
296	Q	72.8	Confident	84.2	Confident	113 Å²	113	37.7 Å²	37.7	53%	0.528	20%	0.2	S	C	.	.			trans	-72	152.6	171.2	-65.1	-171.9	-7.2	0	0	110.4	F290 G294 Q298	F290-Q296 WeakPolarHBondContact CE2-O 3.27Å; G294-Q296 PolarHBondContact O-N 3.45Å; G294-Q296 VanDerWaalsContact O-N 3.16Å; Q296-Q298 PolarHBondContact O-N 3.01Å; Q296-Q298 VanDerWaalsContact O-N 3.12Å
297	I	62.9	Low	84.4	Confident	96 Å²	96	39 Å²	39	49%	0.492	21%	0.209	S	C	.	.			trans	-61.4	119.9	173.7	-61.4	174.4	0	0	0	107.5	N275	N275-I297 HydrophobicContact CB-CG2 4.35Å
298	Q	77.7	Confident	84.5	Confident	2 Å²	2	36 Å²	36	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.5	175.4	-68.3	-175.6	-23.7	0	0	109.4	L276 W293 Q296 L300	L276-Q298 PolarHBondContact N-O 2.87Å; W293-Q298 VanDerWaalsContact CB-NE2 3.32Å; Q296-Q298 PolarHBondContact O-N 3.01Å; Q296-Q298 VanDerWaalsContact O-N 3.12Å; Q298-L300 HydrophobicContact CB-CD1 3.55Å
299	T	88.8	Confident	84.8	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.9	163.6	-51.6	0	0	0	0	108.4	L273 N275 A318 Q319 F325	L273-T299 HydrophobicContact CD1-CG2 3.84Å; N275-T299 WeakPolarHBondContact OD1-CA 3.49Å; N275-T299 VanDerWaalsContact OD1-CB 3.29Å; N275-T299 WeakPolarHBondContact OD1-CB 3.29Å; N275-T299 VanDerWaalsContact OD1-CG2 3.27Å; N275-T299 WeakPolarHBondContact OD1-CG2 3.27Å; N275-T299 PolarHBondContact OD1-OG1 2.67Å; T299-A318 WeakPolarHBondContact O-CA 3.49Å; T299-Q319 PolarHBondContact N-O 2.87Å; T299-Q319 PolarHBondContact O-N 2.84Å; T299-F325 HydrophobicContact CG2-CD2 3.37Å; T299-F325 HydrophobicContact CG2-CE2 3.76Å; T299-F325 HydrophobicContact CG2-CG 4.38Å; T299-F325 WeakPolarHBondContact O-CE2 3.39Å
300	L	90.6	Very high	85.3	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	178.2	-86	71.3	0	0	0	110.4	L261 L273 I274 L276 Q298 L302 K316 L317 A318	L261-L300 HydrophobicContact CD1-CD2 3.79Å; L273-L300 WeakPolarHBondContact CA-O 3.13Å; I274-L300 HydrophobicContact CG2-CB 4Å; I274-L300 PolarHBondContact N-O 2.95Å; I274-L300 PolarHBondContact O-N 3.3Å; L276-L300 HydrophobicContact CB-CD1 4.38Å; L276-L300 HydrophobicContact CD1-CD1 3.66Å; L276-L300 HydrophobicContact CD1-CD2 3.61Å; L276-L300 HydrophobicContact CD1-CG 4.26Å; L276-L300 HydrophobicContact CG-CD1 3.83Å; L276-L300 HydrophobicContact CG-CD2 4.22Å; Q298-L300 HydrophobicContact CB-CD1 3.55Å; L300-L302 HydrophobicContact CB-CD1 3.85Å; L300-L302 HydrophobicContact CD2-CD1 4.31Å; L300-K316 VanDerWaalsContact CD2-CE 3.45Å; L300-L317 CarbonylContact C-O 3.48Å; L300-L317 WeakPolarHBondContact CA-O 3.22Å; L300-A318 HydrophobicContact CD1-CB 4.02Å; L300-A318 HydrophobicContact CG-CB 4.04Å
301	C	93.9	Very high	85.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.1	169.4	178.8	0	0	0	0	109.2	L273 L317 F325	L273-C301 HydrophobicContact CD1-CB 3.97Å; C301-L317 HydrophobicContact CB-CB 4.33Å; C301-L317 PolarHBondContact N-O 3.12Å; C301-L317 PolarHBondContact O-N 2.84Å; C301-F325 HydrophobicContact CB-CD1 3.78Å; C301-F325 HydrophobicContact CB-CE1 3.34Å; C301-F325 HydrophobicContact CB-CE2 4.33Å; C301-F325 HydrophobicContact CB-CG 4.46Å; C301-F325 HydrophobicContact CB-CZ 3.64Å
302	L	96.4	Very high	86.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.8	176.8	-68.4	75.6	0	0	0	109.1	L261 V265 M271 L272 L300 V314 L315 K316	L261-L302 HydrophobicContact CB-CD2 3.67Å; V265-L302 HydrophobicContact CG2-CB 3.74Å; V265-L302 HydrophobicContact CG2-CD2 3.96Å; M271-L302 VanDerWaalsContact CA-O 3.31Å; M271-L302 WeakPolarHBondContact CA-O 3.25Å; L272-L302 HydrophobicContact CB-CB 4.27Å; L272-L302 PolarHBondContact N-O 3.29Å; L272-L302 PolarHBondContact O-N 2.84Å; L300-L302 HydrophobicContact CB-CD1 3.85Å; L300-L302 HydrophobicContact CD2-CD1 4.31Å; L302-V314 HydrophobicContact CB-CG1 3.75Å; L302-V314 HydrophobicContact CD2-CG1 4.22Å; L302-V314 HydrophobicContact CG-CG1 4.19Å; L302-L315 WeakPolarHBondContact CA-O 3.32Å; L302-K316 HydrophobicContact CD1-CG 4.44Å; L302-K316 HydrophobicContact CG-CB 4.42Å; L302-K316 HydrophobicContact CG-CG 4.11Å
303	L	97.7	Very high	87.3	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.7	-176.4	-66.9	158.6	0	0	0	109.5	M271 L305 V314 L315 L317 L333 R334 A337	M271-L303 HydrophobicContact CB-CD2 4.16Å; M271-L303 HydrophobicContact CG-CD2 3.62Å; M271-L303 HydrophobicContact CG-CG 4.45Å; M271-L303 HydrophobicContact SD-CD2 3.65Å; L303-L305 PolarHBondContact O-N 2.91Å; L303-V314 CarbonylContact O-C 3.39Å; L303-V314 WeakPolarHBondContact O-CA 3.37Å; L303-L315 HydrophobicContact CB-CB 4.34Å; L303-L315 HydrophobicContact CD1-CD2 4.28Å; L303-L315 PolarHBondContact N-O 3.13Å; L303-L315 PolarHBondContact O-N 3.42Å; L303-L317 HydrophobicContact CD1-CD1 4.03Å; L303-L333 HydrophobicContact CD1-CB 3.84Å; L303-R334 HydrophobicContact CD2-CB 4.37Å; L303-A337 HydrophobicContact CB-CB 3.75Å; L303-A337 HydrophobicContact CD1-CB 4.12Å; L303-A337 HydrophobicContact CG-CB 4.42Å
304	P	97.7	Very high	88.2	Confident	22 Å²	22	38 Å²	38	14%	0.143	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.1	177.6	28.3	-34.3	0	0	0	111	V265 M306 M311	V265-P304 HydrophobicContact CG1-CB 3.95Å; P304-M306 HydrophobicContact CB-CG 4.17Å; P304-M306 PolarHBondContact O-N 2.83Å; P304-M311 HydrophobicContact CB-CE 3.65Å; P304-M311 HydrophobicContact CB-SD 3.72Å
305	L	97	Very high	89.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	92.3	173.8	-62.2	178.2	0	0	0	108.9	I225 L303 L312 G313 L315 A337 V340 A341	I225-L305 HydrophobicContact CG2-CD1 3.92Å; L303-L305 PolarHBondContact O-N 2.91Å; L305-L312 WeakPolarHBondContact O-CB 3.45Å; L305-L312 PolarHBondContact O-N 2.9Å; L305-G313 WeakPolarHBondContact CB-O 3.48Å; L305-G313 PolarHBondContact N-O 3.28Å; L305-L315 HydrophobicContact CD1-CB 4.43Å; L305-L315 HydrophobicContact CD2-CB 3.95Å; L305-L315 HydrophobicContact CG-CB 4.26Å; L305-A337 HydrophobicContact CD2-CB 4.11Å; L305-A337 WeakPolarHBondContact CD2-O 3.45Å; L305-V340 HydrophobicContact CD1-CG1 4.38Å; L305-V340 HydrophobicContact CD2-CB 4.15Å; L305-V340 HydrophobicContact CD2-CG1 4.01Å; L305-A341 HydrophobicContact CB-CB 3.85Å; L305-A341 HydrophobicContact CD2-CB 4.12Å
306	M	94.8	Very high	90.5	Very high	49 Å²	49	32 Å²	32	24%	0.241	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.8	-178	-62.2	-65.1	-61.4	0	0	110.8	K269 P304 D309 T310 M311 A341	K269-M306 HydrophobicContact CD-CE 4.04Å; K269-M306 HydrophobicContact CD-SD 4.39Å; P304-M306 HydrophobicContact CB-CG 4.17Å; P304-M306 PolarHBondContact O-N 2.83Å; M306-D309 WeakPolarHBondContact CE-O 3.37Å; M306-T310 WeakPolarHBondContact CA-O 3.32Å; M306-M311 HydrophobicContact CE-CB 4.47Å; M306-M311 HydrophobicContact CG-SD 4.33Å; M306-M311 HydrophobicContact SD-CB 3.74Å; M306-M311 HydrophobicContact SD-CG 4.1Å; M306-M311 HydrophobicContact SD-SD 3.34Å; M306-A341 VanDerWaalsContact O-CB 3.3Å; M306-A341 WeakPolarHBondContact O-CB 3.17Å
307	S	90	Very high	91.5	Very high	28 Å²	28	26.6 Å²	26.6	20%	0.196	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	104.7	164.2	-177.4	0	0	0	0	108.8	D309 T310 D345	S307-D309 PolarHBondContact O-N 3.11Å; S307-T310 PolarHBondContact N-O 3.15Å; S307-T310 WeakPolarHBondContact O-CB 3.3Å; S307-T310 PolarHBondContact O-N 3.46Å; S307-D345 VanDerWaalsContact CB-OD2 3.31Å; S307-D345 WeakPolarHBondContact CB-OD2 3.34Å; S307-D345 PolarHBondContact OG-OD2 3.09Å
308	G	87	Confident	92.8	Very high	67 Å²	67	22.1 Å²	22.1	69%	0.691	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	-127.8	-165	0	0	0	0	0	111	T310	G308-T310 VanDerWaalsContact C-N 3.32Å
309	D	88.3	Confident	93.3	Very high	147 Å²	147	22.3 Å²	22.3	79%	0.786	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.8	177	-69.7	-36.6	0	0	0	113.8	K269 M306 S307	K269-D309 PolarHBondContact NZ-O 2.94Å; M306-D309 WeakPolarHBondContact CE-O 3.37Å; S307-D309 PolarHBondContact O-N 3.11Å
310	T	91	Very high	92.8	Very high	88 Å²	88	23.4 Å²	23.4	54%	0.54	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.8	-174.7	-52.3	0	0	0	0	110.3	M306 S307 G308 L312	M306-T310 WeakPolarHBondContact CA-O 3.32Å; S307-T310 PolarHBondContact N-O 3.15Å; S307-T310 WeakPolarHBondContact O-CB 3.3Å; S307-T310 PolarHBondContact O-N 3.46Å; G308-T310 VanDerWaalsContact C-N 3.32Å; T310-L312 HydrophobicContact CG2-CD2 4.02Å; T310-L312 PolarHBondContact O-N 3.35Å
311	M	93.7	Very high	92	Very high	29 Å²	29	29.4 Å²	29.4	14%	0.143	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	105.8	174.2	-178.7	60.8	172.8	0	0	109.1	V265 F266 P304 M306 G313 V314	V265-M311 HydrophobicContact CG1-CE 3.94Å; F266-M311 HydrophobicContact CD1-CE 3.61Å; F266-M311 HydrophobicContact CD1-CG 3.43Å; F266-M311 VanDerWaalsContact CD1-CG 3.43Å; F266-M311 HydrophobicContact CD1-SD 4.41Å; F266-M311 HydrophobicContact CE1-CE 3.85Å; F266-M311 HydrophobicContact CE1-CG 3.71Å; F266-M311 HydrophobicContact CG-CE 4.35Å; P304-M311 HydrophobicContact CB-CE 3.65Å; P304-M311 HydrophobicContact CB-SD 3.72Å; M306-M311 HydrophobicContact CE-CB 4.47Å; M306-M311 HydrophobicContact CG-SD 4.33Å; M306-M311 HydrophobicContact SD-CB 3.74Å; M306-M311 HydrophobicContact SD-CG 4.1Å; M306-M311 HydrophobicContact SD-SD 3.34Å; M311-G313 WeakPolarHBondContact CE-O 3.43Å; M311-V314 HydrophobicContact CE-CG2 3.6Å
312	L	93.4	Very high	90.6	Very high	22 Å²	22	36.1 Å²	36.1	12%	0.115	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-36.8	-177.5	-58.4	175.7	0	0	0	111.6	L305 T310 A341 V344 D345	L305-L312 WeakPolarHBondContact O-CB 3.45Å; L305-L312 PolarHBondContact O-N 2.9Å; T310-L312 HydrophobicContact CG2-CD2 4.02Å; T310-L312 PolarHBondContact O-N 3.35Å; L312-A341 VanDerWaalsContact CD1-O 3.22Å; L312-A341 WeakPolarHBondContact CD1-O 3.21Å; L312-V344 HydrophobicContact CD1-CG1 4.4Å; L312-D345 HydrophobicContact CD1-CB 3.65Å
313	G	95.8	Very high	89.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-161.2	-172.8	0	0	0	0	0	113.6	V226 L305 M311	V226-G313 CarbonylContact O-C 3.55Å; V226-G313 WeakPolarHBondContact O-CA 3.31Å; L305-G313 WeakPolarHBondContact CB-O 3.48Å; L305-G313 PolarHBondContact N-O 3.28Å; M311-G313 WeakPolarHBondContact CE-O 3.43Å
314	V	97.6	Very high	88.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.3	-179.8	179.3	0	0	0	0	109.3	V226 T262 V265 F266 L302 L303 M311	V226-V314 HydrophobicContact CB-CB 4.49Å; V226-V314 PolarHBondContact N-O 3.49Å; V226-V314 PolarHBondContact O-N 3.46Å; T262-V314 HydrophobicContact CG2-CB 3.87Å; T262-V314 HydrophobicContact CG2-CG2 3.52Å; V265-V314 HydrophobicContact CB-CG2 3.96Å; V265-V314 HydrophobicContact CG1-CG1 4.28Å; V265-V314 HydrophobicContact CG1-CG2 3.68Å; F266-V314 HydrophobicContact CZ-CG2 4.47Å; L302-V314 HydrophobicContact CB-CG1 3.75Å; L302-V314 HydrophobicContact CD2-CG1 4.22Å; L302-V314 HydrophobicContact CG-CG1 4.19Å; L303-V314 CarbonylContact O-C 3.39Å; L303-V314 WeakPolarHBondContact O-CA 3.37Å; M311-V314 HydrophobicContact CE-CG2 3.6Å
315	L	97.5	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.6	164.1	174.9	66.2	0	0	0	107.9	I214 I223 I225 L302 L303 L305 L317 A337	I214-L315 HydrophobicContact CD1-CD1 4.28Å; I214-L315 HydrophobicContact CD1-CD2 3.91Å; I223-L315 HydrophobicContact CG2-CD1 4.08Å; I225-L315 HydrophobicContact CG1-CD1 4.06Å; L302-L315 WeakPolarHBondContact CA-O 3.32Å; L303-L315 HydrophobicContact CB-CB 4.34Å; L303-L315 HydrophobicContact CD1-CD2 4.28Å; L303-L315 PolarHBondContact N-O 3.13Å; L303-L315 PolarHBondContact O-N 3.42Å; L305-L315 HydrophobicContact CD1-CB 4.43Å; L305-L315 HydrophobicContact CD2-CB 3.95Å; L305-L315 HydrophobicContact CG-CB 4.26Å; L315-L317 HydrophobicContact CD1-CD2 4.02Å; L315-L317 HydrophobicContact CD2-CD2 4.4Å; L315-L317 HydrophobicContact CG-CD2 4.02Å; L315-L317 HydrophobicContact CG-CG 4.26Å; L315-A337 HydrophobicContact CD2-CB 4.18Å
316	K	95.1	Very high	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	-179.4	-177.3	176.8	-176	-177.7	0	108.7	S224 Y285 E286 L289 L300 L302	S224-K316 PolarHBondContact N-O 2.94Å; S224-K316 PolarHBondContact O-N 3.45Å; Y285-K316 HydrophobicContact CE1-CD 4.37Å; E286-K316 IonicContact OE1-NZ 3.13Å; E286-K316 PolarHBondContact OE1-NZ 3.14Å; L289-K316 VanDerWaalsContact CD1-NZ 3.29Å; L300-K316 VanDerWaalsContact CD2-CE 3.45Å; L302-K316 HydrophobicContact CD1-CG 4.44Å; L302-K316 HydrophobicContact CG-CB 4.42Å; L302-K316 HydrophobicContact CG-CG 4.11Å
317	L	94.4	Very high	87.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.1	-179.7	-54	175.1	0	0	0	107.8	I214 I220 D222 I223 L300 C301 L303 L315 F325 L333	I214-L317 HydrophobicContact CD1-CD2 4.27Å; I214-L317 HydrophobicContact CG2-CD2 4.07Å; I220-L317 HydrophobicContact CD1-CB 4.13Å; I220-L317 HydrophobicContact CD1-CD1 3.89Å; I220-L317 HydrophobicContact CD1-CD2 4.31Å; I220-L317 HydrophobicContact CD1-CG 4.34Å; I220-L317 HydrophobicContact CG2-CB 4.2Å; D222-L317 WeakPolarHBondContact O-CA 3.5Å; I223-L317 HydrophobicContact CB-CD2 4.29Å; I223-L317 HydrophobicContact CG1-CD2 3.94Å; I223-L317 HydrophobicContact CG2-CD2 3.86Å; L300-L317 CarbonylContact C-O 3.48Å; L300-L317 WeakPolarHBondContact CA-O 3.22Å; C301-L317 HydrophobicContact CB-CB 4.33Å; C301-L317 PolarHBondContact N-O 3.12Å; C301-L317 PolarHBondContact O-N 2.84Å; L303-L317 HydrophobicContact CD1-CD1 4.03Å; L315-L317 HydrophobicContact CD1-CD2 4.02Å; L315-L317 HydrophobicContact CD2-CD2 4.4Å; L315-L317 HydrophobicContact CG-CD2 4.02Å; L315-L317 HydrophobicContact CG-CG 4.26Å; L317-F325 HydrophobicContact CB-CE1 4.31Å; L317-F325 HydrophobicContact CB-CZ 4.13Å; L317-F325 HydrophobicContact CD1-CE1 4.48Å; L317-L333 HydrophobicContact CD1-CD1 3.96Å; L317-L333 HydrophobicContact CD1-CD2 3.82Å; L317-L333 HydrophobicContact CD1-CG 4.37Å
318	A	90.8	Very high	86.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.3	174.4	0	0	0	0	0	110.6	I220 D222 T299 L300	I220-A318 WeakPolarHBondContact CG2-O 3.37Å; D222-A318 HydrophobicContact CB-CB 3.81Å; D222-A318 PolarHBondContact N-O 2.7Å; D222-A318 VanDerWaalsContact N-O 3.14Å; D222-A318 PolarHBondContact O-N 3.37Å; T299-A318 WeakPolarHBondContact O-CA 3.49Å; L300-A318 HydrophobicContact CD1-CB 4.02Å; L300-A318 HydrophobicContact CG-CB 4.04Å
319	Q	87.6	Confident	86.9	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135	-179.6	178.9	60.4	-50.6	0	0	110.5	D219 D221 T299 E321 V324 F325	D219-Q319 PolarHBondContact O-NE2 2.88Å; D221-Q319 PolarHBondContact OD2-OE1 3.3Å; T299-Q319 PolarHBondContact N-O 2.87Å; T299-Q319 PolarHBondContact O-N 2.84Å; Q319-E321 HydrophobicContact CG-CB 4.3Å; Q319-E321 WeakPolarHBondContact CG-O 3.31Å; Q319-V324 HydrophobicContact CG-CB 4.28Å; Q319-V324 HydrophobicContact CG-CG2 3.95Å; Q319-F325 HydrophobicContact CB-CE2 3.8Å; Q319-F325 HydrophobicContact CB-CZ 4.21Å
320	C	78.1	Confident	87	Confident	30 Å²	30	45.9 Å²	45.9	20%	0.203	24%	0.242	C	C	.	.	S	Bend	trans	-78.2	-26.5	176.1	-69.8	0	0	0	0	112.4
321	E	73.1	Confident	86.9	Confident	128 Å²	128	45.6 Å²	45.6	60%	0.598	24%	0.237	S	C	*	.	S	Bend	trans	-91.9	115.6	175.9	-64.5	-164.9	-178.7	0	0	113.4	Q319 K323	Q319-E321 HydrophobicContact CG-CB 4.3Å; Q319-E321 WeakPolarHBondContact CG-O 3.31Å; E321-K323 PolarHBondContact O-N 3.43Å
322	E	65.4	Low	86.8	Confident	140 Å²	140	44.4 Å²	44.4	65%	0.654	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-13.1	-177.6	-163.7	171.2	-156.3	0	0	114.4	N275 V324	N275-E322 PolarHBondContact ND2-OE1 3.3Å; E322-V324 PolarHBondContact O-N 3.15Å
323	K	76.7	Confident	86.8	Confident	174 Å²	174	43.4 Å²	43.4	76%	0.757	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.4	-171.7	-68.2	-178.9	-178.2	171.4	0	115.2	E321	E321-K323 PolarHBondContact O-N 3.43Å
324	V	82.4	Confident	86.7	Confident	17 Å²	17	47.9 Å²	47.9	10%	0.103	24%	0.243	C	C	.	.	S	Bend	trans	-79.8	-35.7	-174.3	-179.2	0	0	0	0	112.6	F218 I220 Q319 E322 T326 N329	F218-V324 HydrophobicContact CB-CG1 4.13Å; F218-V324 WeakPolarHBondContact O-CG1 3.43Å; I220-V324 HydrophobicContact CG1-CG1 4.22Å; Q319-V324 HydrophobicContact CG-CB 4.28Å; Q319-V324 HydrophobicContact CG-CG2 3.95Å; E322-V324 PolarHBondContact O-N 3.15Å; V324-T326 VanDerWaalsContact C-N 3.25Å; V324-T326 PolarHBondContact O-N 2.99Å; V324-N329 VanDerWaalsContact O-CB 3.28Å; V324-N329 WeakPolarHBondContact O-CB 3.48Å; V324-N329 PolarHBondContact O-ND2 2.92Å
325	F	86.8	Confident	86.4	Confident	18 Å²	18	51.4 Å²	51.4	8%	0.079	26%	0.259	C	S	.	.			trans	-86.5	51.6	-173	-61.7	-61.4	0	0	0	113.9	I220 L273 T299 C301 L317 Q319 L330 L333	I220-F325 HydrophobicContact CD1-CE1 4.31Å; L273-F325 HydrophobicContact CD1-CB 4.05Å; L273-F325 HydrophobicContact CD1-CD2 4.17Å; L273-F325 HydrophobicContact CD1-CG 4.01Å; T299-F325 HydrophobicContact CG2-CD2 3.37Å; T299-F325 HydrophobicContact CG2-CE2 3.76Å; T299-F325 HydrophobicContact CG2-CG 4.38Å; T299-F325 WeakPolarHBondContact O-CE2 3.39Å; C301-F325 HydrophobicContact CB-CD1 3.78Å; C301-F325 HydrophobicContact CB-CE1 3.34Å; C301-F325 HydrophobicContact CB-CE2 4.33Å; C301-F325 HydrophobicContact CB-CG 4.46Å; C301-F325 HydrophobicContact CB-CZ 3.64Å; L317-F325 HydrophobicContact CB-CE1 4.31Å; L317-F325 HydrophobicContact CB-CZ 4.13Å; L317-F325 HydrophobicContact CD1-CE1 4.48Å; Q319-F325 HydrophobicContact CB-CE2 3.8Å; Q319-F325 HydrophobicContact CB-CZ 4.21Å; F325-L330 HydrophobicContact CB-CD2 4.1Å; F325-L330 HydrophobicContact CB-CG 4.36Å; F325-L330 HydrophobicContact CD1-CD2 3.87Å; F325-L330 HydrophobicContact CG-CD2 4.37Å; F325-L333 HydrophobicContact CD1-CD1 4.08Å; F325-L333 HydrophobicContact CE1-CD1 4.03Å
326	T	85	Confident	86.2	Confident	64 Å²	64	51.4 Å²	51.4	39%	0.393	26%	0.259	S	S	.	.			trans	-68.1	157.8	170.2	67.5	0	0	0	0	111.4	V324 T328 N329 L330	V324-T326 VanDerWaalsContact C-N 3.25Å; V324-T326 PolarHBondContact O-N 2.99Å; T326-T328 PolarHBondContact O-N 2.87Å; T326-T328 VanDerWaalsContact O-N 3.16Å; T326-N329 PolarHBondContact O-N 3.12Å; T326-N329 PolarHBondContact OG1-N 3.25Å; T326-L330 WeakPolarHBondContact O-CG 3.46Å; T326-L330 PolarHBondContact O-N 3.1Å
327	T	82.5	Confident	86.2	Confident	110 Å²	110	51.5 Å²	51.5	68%	0.675	26%	0.26	S	S	*	.	H	α-helix	trans	-53.3	-38.9	177.5	-48.6	0	0	0	0	112.5	N331	T327-N331 PolarHBondContact O-N 3.38Å; T327-N331 VanDerWaalsContact O-N 3.11Å; T327-N331 PolarHBondContact O-ND2 2.93Å
328	T	81.4	Confident	86.1	Confident	78 Å²	78	55.9 Å²	55.9	48%	0.479	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-47.6	177	-51.1	0	0	0	0	111.7	T326 N331 L332	T326-T328 PolarHBondContact O-N 2.87Å; T326-T328 VanDerWaalsContact O-N 3.16Å; T328-N331 PolarHBondContact O-N 3.13Å; T328-L332 PolarHBondContact O-N 3.45Å
329	N	87.6	Confident	86.1	Confident	42 Å²	42	60.6 Å²	60.6	23%	0.225	30%	0.298	C	S	.	.	H	α-helix	trans	-67.4	-39	179.6	-71.5	-3.8	0	0	0	111.7	F218 V324 T326 N331 L332 L333	F218-N329 HydrophobicContact CD1-CB 4.45Å; F218-N329 HydrophobicContact CE1-CB 4.21Å; V324-N329 VanDerWaalsContact O-CB 3.28Å; V324-N329 WeakPolarHBondContact O-CB 3.48Å; V324-N329 PolarHBondContact O-ND2 2.92Å; T326-N329 PolarHBondContact O-N 3.12Å; T326-N329 PolarHBondContact OG1-N 3.25Å; N329-N331 VanDerWaalsContact C-N 3.31Å; N329-N331 PolarHBondContact O-N 2.63Å; N329-L332 PolarHBondContact O-N 3.33Å; N329-L332 VanDerWaalsContact O-N 3.16Å; N329-L333 WeakPolarHBondContact O-CB 3.26Å; N329-L333 VanDerWaalsContact O-CG 3.28Å; N329-L333 WeakPolarHBondContact O-CG 3.31Å; N329-L333 PolarHBondContact O-N 2.96Å
330	L	91.4	Very high	86.4	Confident	17 Å²	17	60.3 Å²	60.3	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-38.3	175.7	-69.8	171.5	0	0	0	112.2	M271 L273 F325 T326 L332 R334	M271-L330 HydrophobicContact CE-CD1 4.31Å; M271-L330 HydrophobicContact CE-CD2 4.4Å; M271-L330 HydrophobicContact SD-CD2 4.12Å; L273-L330 HydrophobicContact CD1-CD2 4.47Å; L273-L330 HydrophobicContact CD2-CD1 3.96Å; F325-L330 HydrophobicContact CB-CD2 4.1Å; F325-L330 HydrophobicContact CB-CG 4.36Å; F325-L330 HydrophobicContact CD1-CD2 3.87Å; F325-L330 HydrophobicContact CG-CD2 4.37Å; T326-L330 WeakPolarHBondContact O-CG 3.46Å; T326-L330 PolarHBondContact O-N 3.1Å; L330-L332 VanDerWaalsContact C-N 3.35Å; L330-R334 WeakPolarHBondContact O-CB 3.26Å; L330-R334 PolarHBondContact O-N 3.44Å
331	N	89.4	Confident	87.2	Confident	82 Å²	82	58.9 Å²	58.9	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-66.6	-36.2	175.1	-74.7	-19.3	0	0	0	112.4	T327 T328 N329 Q335	T327-N331 PolarHBondContact O-N 3.38Å; T327-N331 VanDerWaalsContact O-N 3.11Å; T327-N331 PolarHBondContact O-ND2 2.93Å; T328-N331 PolarHBondContact O-N 3.13Å; N329-N331 VanDerWaalsContact C-N 3.31Å; N329-N331 PolarHBondContact O-N 2.63Å; N331-Q335 WeakPolarHBondContact O-CG 3.13Å; N331-Q335 PolarHBondContact O-N 3.48Å; N331-Q335 PolarHBondContact O-NE2 2.82Å; N331-Q335 VanDerWaalsContact O-NE2 3.1Å
332	L	90	Very high	88	Confident	4 Å²	4	56 Å²	56	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-73	-44.8	175.6	-176.6	57.1	0	0	0	111.7	N186 I189 L190 F218 T328 N329 L330 R334 Q335 I336	N186-L332 HydrophobicContact CB-CD1 4.23Å; N186-L332 HydrophobicContact CB-CD2 4.24Å; I189-L332 HydrophobicContact CB-CD2 4.32Å; I189-L332 HydrophobicContact CD1-CD2 4.08Å; I189-L332 HydrophobicContact CG2-CD2 4.15Å; L190-L332 HydrophobicContact CB-CD1 4.41Å; F218-L332 HydrophobicContact CE1-CD2 4.22Å; F218-L332 HydrophobicContact CZ-CD2 3.7Å; F218-L332 HydrophobicContact CZ-CG 4Å; T328-L332 PolarHBondContact O-N 3.45Å; N329-L332 PolarHBondContact O-N 3.33Å; N329-L332 VanDerWaalsContact O-N 3.16Å; L330-L332 VanDerWaalsContact C-N 3.35Å; L332-R334 VanDerWaalsContact C-N 3.28Å; L332-R334 PolarHBondContact O-N 2.89Å; L332-Q335 WeakPolarHBondContact O-CB 3.49Å; L332-Q335 PolarHBondContact O-N 3.43Å; L332-Q335 VanDerWaalsContact O-N 3.1Å; L332-I336 HydrophobicContact CD1-CD1 4.46Å; L332-I336 HydrophobicContact CG-CD1 3.98Å; L332-I336 WeakPolarHBondContact O-CG1 3.46Å; L332-I336 PolarHBondContact O-N 2.86Å
333	L	93.3	Very high	89.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-36.5	176.7	-72.7	169.7	0	0	0	112	F218 L303 L317 F325 N329 I336 A337	F218-L333 HydrophobicContact CD1-CD2 4.28Å; F218-L333 HydrophobicContact CD1-CG 4.44Å; F218-L333 HydrophobicContact CD2-CD2 3.94Å; F218-L333 HydrophobicContact CE1-CD2 4.11Å; F218-L333 HydrophobicContact CE1-CG 4.08Å; F218-L333 HydrophobicContact CE2-CD2 3.76Å; F218-L333 HydrophobicContact CG-CD2 4.2Å; F218-L333 HydrophobicContact CZ-CD2 3.85Å; F218-L333 HydrophobicContact CZ-CG 4.13Å; L303-L333 HydrophobicContact CD1-CB 3.84Å; L317-L333 HydrophobicContact CD1-CD1 3.96Å; L317-L333 HydrophobicContact CD1-CD2 3.82Å; L317-L333 HydrophobicContact CD1-CG 4.37Å; F325-L333 HydrophobicContact CD1-CD1 4.08Å; F325-L333 HydrophobicContact CE1-CD1 4.03Å; N329-L333 WeakPolarHBondContact O-CB 3.26Å; N329-L333 VanDerWaalsContact O-CG 3.28Å; N329-L333 WeakPolarHBondContact O-CG 3.31Å; N329-L333 PolarHBondContact O-N 2.96Å; L333-I336 HydrophobicContact CD2-CD1 4.38Å; L333-I336 PolarHBondContact O-N 2.83Å; L333-A337 WeakPolarHBondContact O-CB 3.2Å; L333-A337 PolarHBondContact O-N 3.25Å
334	R	94.1	Very high	90.1	Very high	94 Å²	94	41.2 Å²	41.2	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-46.7	172	-171.2	-170.7	-48.7	-84.9	-7.4	112.1	M271 L303 L330 L332 I336 A337 E338	M271-R334 PolarHBondContact SD-NH2 3.39Å; M271-R334 VanDerWaalsContact SD-NH2 3.45Å; L303-R334 HydrophobicContact CD2-CB 4.37Å; L330-R334 WeakPolarHBondContact O-CB 3.26Å; L330-R334 PolarHBondContact O-N 3.44Å; L332-R334 VanDerWaalsContact C-N 3.28Å; L332-R334 PolarHBondContact O-N 2.89Å; R334-I336 VanDerWaalsContact C-N 3.31Å; R334-I336 PolarHBondContact O-N 2.82Å; R334-A337 WeakPolarHBondContact O-CB 3.16Å; R334-A337 PolarHBondContact O-N 2.79Å; R334-E338 WeakPolarHBondContact O-CG 3.4Å; R334-E338 PolarHBondContact O-N 2.84Å
335	Q	92	Very high	90.6	Very high	74 Å²	74	43 Å²	43	35%	0.346	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-37.6	176.4	-70.1	172.2	70.7	0	0	111.7	L190 N331 L332 E338 R339	L190-Q335 HydrophobicContact CD1-CB 3.95Å; L190-Q335 HydrophobicContact CD2-CB 4.5Å; N331-Q335 WeakPolarHBondContact O-CG 3.13Å; N331-Q335 PolarHBondContact O-N 3.48Å; N331-Q335 PolarHBondContact O-NE2 2.82Å; N331-Q335 VanDerWaalsContact O-NE2 3.1Å; L332-Q335 WeakPolarHBondContact O-CB 3.49Å; L332-Q335 PolarHBondContact O-N 3.43Å; L332-Q335 VanDerWaalsContact O-N 3.1Å; Q335-E338 PolarHBondContact O-N 3.44Å; Q335-R339 WeakPolarHBondContact O-CG 3.48Å; Q335-R339 PolarHBondContact O-N 3.47Å
336	I	93	Very high	90.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-47.8	173.3	-69.9	162.9	0	0	0	110.2	I189 L190 I193 I214 F218 L332 L333 R334 E338 R339 V340	I189-I336 HydrophobicContact CG2-CD1 4.4Å; L190-I336 HydrophobicContact CD1-CG1 4.24Å; I193-I336 HydrophobicContact CD1-CD1 3.38Å; I193-I336 HydrophobicContact CD1-CG1 3.67Å; I193-I336 HydrophobicContact CD1-CG2 4.16Å; I193-I336 HydrophobicContact CG2-CG2 4.06Å; I214-I336 HydrophobicContact CD1-CG2 4.29Å; I214-I336 HydrophobicContact CG1-CG2 4.37Å; F218-I336 HydrophobicContact CE2-CD1 3.59Å; F218-I336 HydrophobicContact CZ-CD1 3.76Å; L332-I336 HydrophobicContact CD1-CD1 4.46Å; L332-I336 HydrophobicContact CG-CD1 3.98Å; L332-I336 WeakPolarHBondContact O-CG1 3.46Å; L332-I336 PolarHBondContact O-N 2.86Å; L333-I336 HydrophobicContact CD2-CD1 4.38Å; L333-I336 PolarHBondContact O-N 2.83Å; R334-I336 VanDerWaalsContact C-N 3.31Å; R334-I336 PolarHBondContact O-N 2.82Å; I336-E338 VanDerWaalsContact C-N 3.29Å; I336-E338 PolarHBondContact O-N 3.37Å; I336-R339 PolarHBondContact O-N 3.32Å; I336-V340 HydrophobicContact CG2-CG2 4.1Å; I336-V340 WeakPolarHBondContact O-CG2 3.44Å; I336-V340 PolarHBondContact O-N 2.82Å
337	A	94.8	Very high	91.1	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-39.1	178.6	0	0	0	0	0	112.3	L303 L305 L315 L333 R334 R339 V340 A341	L303-A337 HydrophobicContact CB-CB 3.75Å; L303-A337 HydrophobicContact CD1-CB 4.12Å; L303-A337 HydrophobicContact CG-CB 4.42Å; L305-A337 HydrophobicContact CD2-CB 4.11Å; L305-A337 WeakPolarHBondContact CD2-O 3.45Å; L315-A337 HydrophobicContact CD2-CB 4.18Å; L333-A337 WeakPolarHBondContact O-CB 3.2Å; L333-A337 PolarHBondContact O-N 3.25Å; R334-A337 WeakPolarHBondContact O-CB 3.16Å; R334-A337 PolarHBondContact O-N 2.79Å; A337-R339 VanDerWaalsContact C-N 3.31Å; A337-R339 PolarHBondContact O-N 3Å; A337-V340 PolarHBondContact O-N 2.72Å; A337-A341 WeakPolarHBondContact O-CB 3.34Å; A337-A341 PolarHBondContact O-N 2.97Å
338	E	92.8	Very high	91.5	Very high	92 Å²	92	40.3 Å²	40.3	43%	0.43	20%	0.198	S	C	.	.	H	α-helix	trans	-61.1	-37.3	173.6	-71.2	172.8	-163.4	0	0	112.6	R334 Q335 I336 I342	R334-E338 WeakPolarHBondContact O-CG 3.4Å; R334-E338 PolarHBondContact O-N 2.84Å; Q335-E338 PolarHBondContact O-N 3.44Å; I336-E338 VanDerWaalsContact C-N 3.29Å; I336-E338 PolarHBondContact O-N 3.37Å; E338-I342 WeakPolarHBondContact O-CG1 3.18Å; E338-I342 PolarHBondContact O-N 3.45Å
339	R	91	Very high	92	Very high	100 Å²	100	38.7 Å²	38.7	38%	0.377	19%	0.193	S	C	.	.	H	α-helix	trans	-74.8	-40	176.3	-59.3	-59.6	173.5	-130.9	-5.3	112.2	L190 Q335 I336 A337 A341 I342 A343	L190-R339 HydrophobicContact CD1-CG 4.15Å; Q335-R339 WeakPolarHBondContact O-CG 3.48Å; Q335-R339 PolarHBondContact O-N 3.47Å; I336-R339 PolarHBondContact O-N 3.32Å; A337-R339 VanDerWaalsContact C-N 3.31Å; A337-R339 PolarHBondContact O-N 3Å; R339-A341 VanDerWaalsContact C-N 3.26Å; R339-A341 PolarHBondContact O-N 2.92Å; R339-I342 PolarHBondContact O-N 3.3Å; R339-A343 PolarHBondContact O-N 3.39Å
340	V	93.3	Very high	92.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-40.4	172.2	174.1	0	0	0	0	110.1	V210 I225 L305 I336 A337 I342 A343 V344	V210-V340 HydrophobicContact CG1-CG1 4.35Å; V210-V340 HydrophobicContact CG1-CG2 3.85Å; V210-V340 HydrophobicContact CG2-CG1 4.22Å; V210-V340 HydrophobicContact CG2-CG2 3.9Å; I225-V340 HydrophobicContact CD1-CG1 3.86Å; L305-V340 HydrophobicContact CD1-CG1 4.38Å; L305-V340 HydrophobicContact CD2-CB 4.15Å; L305-V340 HydrophobicContact CD2-CG1 4.01Å; I336-V340 HydrophobicContact CG2-CG2 4.1Å; I336-V340 WeakPolarHBondContact O-CG2 3.44Å; I336-V340 PolarHBondContact O-N 2.82Å; A337-V340 PolarHBondContact O-N 2.72Å; V340-I342 PolarHBondContact O-N 2.86Å; V340-A343 PolarHBondContact O-N 2.85Å; V340-A343 VanDerWaalsContact O-N 3.17Å; V340-V344 HydrophobicContact CG1-CG2 4.15Å; V340-V344 WeakPolarHBondContact O-CB 3.43Å; V340-V344 VanDerWaalsContact O-CG2 3.31Å; V340-V344 WeakPolarHBondContact O-CG2 3.39Å; V340-V344 PolarHBondContact O-N 2.85Å
341	A	94.5	Very high	92	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-44.9	176.6	0	0	0	0	0	112	L305 M306 L312 A337 R339 A343 V344 D345	L305-A341 HydrophobicContact CB-CB 3.85Å; L305-A341 HydrophobicContact CD2-CB 4.12Å; M306-A341 VanDerWaalsContact O-CB 3.3Å; M306-A341 WeakPolarHBondContact O-CB 3.17Å; L312-A341 VanDerWaalsContact CD1-O 3.22Å; L312-A341 WeakPolarHBondContact CD1-O 3.21Å; A337-A341 WeakPolarHBondContact O-CB 3.34Å; A337-A341 PolarHBondContact O-N 2.97Å; R339-A341 VanDerWaalsContact C-N 3.26Å; R339-A341 PolarHBondContact O-N 2.92Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A341-A343 PolarHBondContact O-N 3.17Å; A341-V344 PolarHBondContact O-N 2.79Å; A341-D345 WeakPolarHBondContact O-CB 3.29Å; A341-D345 PolarHBondContact O-N 3.45Å
342	I	91.7	Very high	92	Very high	67 Å²	67	45 Å²	45	34%	0.344	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-42.3	175.2	-63.9	164.6	0	0	0	111	E338 R339 V340 D345 N346	E338-I342 WeakPolarHBondContact O-CG1 3.18Å; E338-I342 PolarHBondContact O-N 3.45Å; R339-I342 PolarHBondContact O-N 3.3Å; V340-I342 PolarHBondContact O-N 2.86Å; I342-D345 WeakPolarHBondContact O-CB 3.39Å; I342-D345 PolarHBondContact O-N 3.16Å; I342-N346 VanDerWaalsContact O-CG 3.23Å; I342-N346 PolarHBondContact O-N 3.37Å; I342-N346 PolarHBondContact O-ND2 3.01Å
343	A	92.1	Very high	92	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-41.9	178.5	0	0	0	0	0	112.2	V197 L206 R339 V340 A341 N346 A347	V197-A343 HydrophobicContact CB-CB 3.94Å; V197-A343 HydrophobicContact CG2-CB 3.84Å; L206-A343 HydrophobicContact CD1-CB 3.78Å; L206-A343 HydrophobicContact CD2-CB 4.12Å; R339-A343 PolarHBondContact O-N 3.39Å; V340-A343 PolarHBondContact O-N 2.85Å; V340-A343 VanDerWaalsContact O-N 3.17Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A341-A343 PolarHBondContact O-N 3.17Å; A343-N346 PolarHBondContact O-N 3.47Å; A343-A347 WeakPolarHBondContact O-CB 3.49Å; A343-A347 PolarHBondContact O-N 2.89Å
344	V	93.4	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-43.5	174.3	168.5	0	0	0	0	110.7	M203 L206 I225 L227 L312 V340 A341 N346 A347 L348	M203-V344 HydrophobicContact CE-CG1 4.28Å; L206-V344 HydrophobicContact CD2-CB 4.48Å; L206-V344 HydrophobicContact CD2-CG2 3.84Å; I225-V344 HydrophobicContact CD1-CG2 4.46Å; L227-V344 HydrophobicContact CD1-CG1 4.16Å; L227-V344 HydrophobicContact CD2-CG1 3.87Å; L312-V344 HydrophobicContact CD1-CG1 4.4Å; V340-V344 HydrophobicContact CG1-CG2 4.15Å; V340-V344 WeakPolarHBondContact O-CB 3.43Å; V340-V344 VanDerWaalsContact O-CG2 3.31Å; V340-V344 WeakPolarHBondContact O-CG2 3.39Å; V340-V344 PolarHBondContact O-N 2.85Å; A341-V344 PolarHBondContact O-N 2.79Å; V344-N346 VanDerWaalsContact C-N 3.33Å; V344-N346 PolarHBondContact O-N 3.09Å; V344-A347 PolarHBondContact O-N 3.48Å; V344-L348 HydrophobicContact CG1-CD1 3.92Å; V344-L348 HydrophobicContact CG1-CG 4.33Å; V344-L348 WeakPolarHBondContact O-CB 3.01Å; V344-L348 WeakPolarHBondContact O-CG 3.3Å; V344-L348 PolarHBondContact O-N 2.87Å
345	D	92.6	Very high	91.4	Very high	56 Å²	56	54.5 Å²	54.5	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-46.8	176	-157.8	16.6	0	0	0	111.2	S307 L312 A341 I342 A347 L348 A349	S307-D345 VanDerWaalsContact CB-OD2 3.31Å; S307-D345 WeakPolarHBondContact CB-OD2 3.34Å; S307-D345 PolarHBondContact OG-OD2 3.09Å; L312-D345 HydrophobicContact CD1-CB 3.65Å; A341-D345 WeakPolarHBondContact O-CB 3.29Å; A341-D345 PolarHBondContact O-N 3.45Å; I342-D345 WeakPolarHBondContact O-CB 3.39Å; I342-D345 PolarHBondContact O-N 3.16Å; D345-A347 PolarHBondContact O-N 2.93Å; D345-L348 PolarHBondContact O-N 2.98Å; D345-A349 VanDerWaalsContact O-CB 3.25Å; D345-A349 WeakPolarHBondContact O-CB 3.41Å; D345-A349 PolarHBondContact O-N 3.2Å
346	N	90.9	Very high	91.2	Very high	75 Å²	75	55.2 Å²	55.2	40%	0.401	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-42	177.7	-70.8	-21	0	0	0	112.3	I342 A343 V344 A349 Y350	I342-N346 VanDerWaalsContact O-CG 3.23Å; I342-N346 PolarHBondContact O-N 3.37Å; I342-N346 PolarHBondContact O-ND2 3.01Å; A343-N346 PolarHBondContact O-N 3.47Å; V344-N346 VanDerWaalsContact C-N 3.33Å; V344-N346 PolarHBondContact O-N 3.09Å; N346-A349 PolarHBondContact O-N 3.48Å; N346-Y350 VanDerWaalsContact O-CB 3.31Å; N346-Y350 WeakPolarHBondContact O-CB 3.44Å; N346-Y350 PolarHBondContact O-N 3.37Å
347	A	91.7	Very high	91.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-45.3	177.2	0	0	0	0	0	111.6	M203 L206 A343 V344 D345 Y350 Q351	M203-A347 HydrophobicContact CE-CB 3.81Å; L206-A347 HydrophobicContact CD2-CB 4.14Å; A343-A347 WeakPolarHBondContact O-CB 3.49Å; A343-A347 PolarHBondContact O-N 2.89Å; V344-A347 PolarHBondContact O-N 3.48Å; D345-A347 PolarHBondContact O-N 2.93Å; A347-Y350 PolarHBondContact O-N 3.16Å; A347-Q351 WeakPolarHBondContact O-CG 2.98Å; A347-Q351 PolarHBondContact O-N 3.07Å
348	L	91.2	Very high	90.5	Very high	60 Å²	60	66.5 Å²	66.5	31%	0.314	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-43.3	175.7	-70.5	174.4	0	0	0	111.9	M203 V344 D345 Y350 Q351 E352	M203-L348 HydrophobicContact CE-CD2 3.66Å; M203-L348 HydrophobicContact CE-CG 3.74Å; V344-L348 HydrophobicContact CG1-CD1 3.92Å; V344-L348 HydrophobicContact CG1-CG 4.33Å; V344-L348 WeakPolarHBondContact O-CB 3.01Å; V344-L348 WeakPolarHBondContact O-CG 3.3Å; V344-L348 PolarHBondContact O-N 2.87Å; D345-L348 PolarHBondContact O-N 2.98Å; L348-Y350 VanDerWaalsContact C-N 3.35Å; L348-Q351 PolarHBondContact O-N 2.61Å; L348-E352 PolarHBondContact O-N 3.17Å
349	A	90.9	Very high	90.1	Very high	44 Å²	44	68.1 Å²	68.1	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-42	176.5	0	0	0	0	0	111.4	D345 N346 E352 I353	D345-A349 VanDerWaalsContact O-CB 3.25Å; D345-A349 WeakPolarHBondContact O-CB 3.41Å; D345-A349 PolarHBondContact O-N 3.2Å; N346-A349 PolarHBondContact O-N 3.48Å; A349-E352 PolarHBondContact O-N 3.13Å; A349-I353 WeakPolarHBondContact O-CB 3.25Å; A349-I353 WeakPolarHBondContact O-CD1 3.32Å; A349-I353 WeakPolarHBondContact O-CG1 3.31Å; A349-I353 PolarHBondContact O-N 2.79Å
350	Y	90.6	Very high	89.6	Confident	110 Å²	110	68 Å²	68	43%	0.431	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-44.7	176.2	-178.6	-97.3	0	0	0	111.8	L201 N346 A347 L348 E352 I353 H354	L201-Y350 HydrophobicContact CB-CD1 3.89Å; L201-Y350 HydrophobicContact CB-CE1 4.21Å; L201-Y350 HydrophobicContact CB-CG 4.13Å; L201-Y350 HydrophobicContact CD1-CD1 4.48Å; L201-Y350 HydrophobicContact CD1-CD2 3.96Å; L201-Y350 HydrophobicContact CD1-CE1 4.41Å; L201-Y350 HydrophobicContact CD1-CE2 3.88Å; L201-Y350 HydrophobicContact CD1-CG 4.26Å; L201-Y350 HydrophobicContact CD2-CD2 4.39Å; L201-Y350 HydrophobicContact CD2-CG 4.26Å; L201-Y350 HydrophobicContact CG-CG 4.46Å; N346-Y350 VanDerWaalsContact O-CB 3.31Å; N346-Y350 WeakPolarHBondContact O-CB 3.44Å; N346-Y350 PolarHBondContact O-N 3.37Å; A347-Y350 PolarHBondContact O-N 3.16Å; L348-Y350 VanDerWaalsContact C-N 3.35Å; Y350-E352 PolarHBondContact O-N 3.34Å; Y350-I353 PolarHBondContact O-N 3.27Å; Y350-H354 VanDerWaalsContact O-CB 3.29Å; Y350-H354 WeakPolarHBondContact O-CB 3.46Å; Y350-H354 PolarHBondContact O-N 3.06Å
351	Q	88.9	Confident	88.8	Confident	82 Å²	82	71.9 Å²	71.9	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-59.7	-44	176.1	-75	-179.8	-16.9	0	0	112.1	A347 L348 H354 R355	A347-Q351 WeakPolarHBondContact O-CG 2.98Å; A347-Q351 PolarHBondContact O-N 3.07Å; L348-Q351 PolarHBondContact O-N 2.61Å; Q351-H354 PolarHBondContact O-N 3.47Å; Q351-R355 WeakPolarHBondContact O-CB 3.49Å; Q351-R355 PolarHBondContact O-N 3.49Å
352	E	89.8	Confident	87.7	Confident	80 Å²	80	76.9 Å²	76.9	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-69	-41.1	178.4	-173.9	62.5	-173.8	0	0	111.9	L348 A349 Y350 H354 R355 L356	L348-E352 PolarHBondContact O-N 3.17Å; A349-E352 PolarHBondContact O-N 3.13Å; Y350-E352 PolarHBondContact O-N 3.34Å; E352-H354 VanDerWaalsContact C-N 3.32Å; E352-H354 PolarHBondContact O-N 2.99Å; E352-R355 PolarHBondContact O-N 3.35Å; E352-R355 IonicContact OE2-NH1 3.73Å; E352-L356 HydrophobicContact CG-CD1 4.05Å; E352-L356 HydrophobicContact CG-CG 4.41Å; E352-L356 WeakPolarHBondContact O-CB 3.14Å; E352-L356 VanDerWaalsContact O-CG 3.26Å; E352-L356 WeakPolarHBondContact O-CG 3.24Å; E352-L356 PolarHBondContact O-N 3.25Å
353	I	89.9	Confident	86.8	Confident	114 Å²	114	79 Å²	79	59%	0.585	38%	0.384	S	S	*	.	H	α-helix	trans	-60.7	-43.8	173.8	-70.6	166.2	0	0	0	110.5	A349 Y350 L356 K357	A349-I353 WeakPolarHBondContact O-CB 3.25Å; A349-I353 WeakPolarHBondContact O-CD1 3.32Å; A349-I353 WeakPolarHBondContact O-CG1 3.31Å; A349-I353 PolarHBondContact O-N 2.79Å; Y350-I353 PolarHBondContact O-N 3.27Å; I353-L356 PolarHBondContact O-N 3.48Å; I353-K357 VanDerWaalsContact O-CB 3.25Å; I353-K357 WeakPolarHBondContact O-CB 3.49Å; I353-K357 PolarHBondContact O-N 2.97Å
354	H	86.8	Confident	85.6	Confident	81 Å²	81	82.9 Å²	82.9	38%	0.375	40%	0.404	S	S	.	.	H	α-helix	trans	-62.2	-48.7	178.8	-168.2	73.1	0	0	0	111	Y350 Q351 E352 L356 K357 E358	Y350-H354 VanDerWaalsContact O-CB 3.29Å; Y350-H354 WeakPolarHBondContact O-CB 3.46Å; Y350-H354 PolarHBondContact O-N 3.06Å; Q351-H354 PolarHBondContact O-N 3.47Å; E352-H354 VanDerWaalsContact C-N 3.32Å; E352-H354 PolarHBondContact O-N 2.99Å; H354-L356 PolarHBondContact O-N 2.88Å; H354-K357 WeakPolarHBondContact O-CB 3.42Å; H354-K357 PolarHBondContact O-N 3.12Å; H354-E358 IonicContact CD2-OE1 3.5Å; H354-E358 IonicContact NE2-OE1 2.72Å; H354-E358 PolarHBondContact NE2-OE1 2.78Å; H354-E358 WeakPolarHBondContact O-CG 3.46Å; H354-E358 PolarHBondContact O-N 2.88Å
355	R	87.3	Confident	84.2	Confident	103 Å²	103	87.5 Å²	87.5	39%	0.389	43%	0.428	S	S	.	.	H	α-helix	trans	-59.3	-44.1	176.2	-177.5	-171.2	-177.2	-177.5	8.7	112.8	Q351 E352 K357 E358 R359	Q351-R355 WeakPolarHBondContact O-CB 3.49Å; Q351-R355 PolarHBondContact O-N 3.49Å; E352-R355 PolarHBondContact O-N 3.35Å; E352-R355 IonicContact OE2-NH1 3.73Å; R355-K357 VanDerWaalsContact C-N 3.35Å; R355-E358 PolarHBondContact O-N 2.85Å; R355-R359 WeakPolarHBondContact O-CB 3.32Å; R355-R359 WeakPolarHBondContact O-CG 3.38Å; R355-R359 PolarHBondContact O-N 3.34Å
356	L	88.9	Confident	82.6	Confident	89 Å²	89	86.9 Å²	86.9	47%	0.466	43%	0.43	S	S	.	.	H	α-helix	trans	-67.4	-37.5	177.7	-72.3	173.2	0	0	0	111.4	E352 I353 H354 R359 L360	E352-L356 HydrophobicContact CG-CD1 4.05Å; E352-L356 HydrophobicContact CG-CG 4.41Å; E352-L356 WeakPolarHBondContact O-CB 3.14Å; E352-L356 VanDerWaalsContact O-CG 3.26Å; E352-L356 WeakPolarHBondContact O-CG 3.24Å; E352-L356 PolarHBondContact O-N 3.25Å; I353-L356 PolarHBondContact O-N 3.48Å; H354-L356 PolarHBondContact O-N 2.88Å; L356-R359 PolarHBondContact O-N 3.32Å; L356-L360 VanDerWaalsContact O-CB 3.3Å; L356-L360 WeakPolarHBondContact O-CB 3.47Å; L356-L360 PolarHBondContact O-N 3.46Å
357	K	88.9	Confident	81	Confident	136 Å²	136	86.8 Å²	86.8	59%	0.591	43%	0.429	S	S	*	.	H	α-helix	trans	-63.8	-46.5	174.6	-178.3	-174.2	174.7	-172.6	0	111.2	I353 H354 R355 L360 V361	I353-K357 VanDerWaalsContact O-CB 3.25Å; I353-K357 WeakPolarHBondContact O-CB 3.49Å; I353-K357 PolarHBondContact O-N 2.97Å; H354-K357 WeakPolarHBondContact O-CB 3.42Å; H354-K357 PolarHBondContact O-N 3.12Å; R355-K357 VanDerWaalsContact C-N 3.35Å; K357-L360 PolarHBondContact O-N 3.32Å; K357-V361 VanDerWaalsContact O-CG2 3.31Å; K357-V361 WeakPolarHBondContact O-CG2 3.48Å; K357-V361 PolarHBondContact O-N 3.45Å
358	E	83.2	Confident	79.2	Confident	103 Å²	103	89.6 Å²	89.6	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-47.4	176	-72.7	-173.1	149	0	0	111.2	H354 R355 L360 V361 D362	H354-E358 IonicContact CD2-OE1 3.5Å; H354-E358 IonicContact NE2-OE1 2.72Å; H354-E358 PolarHBondContact NE2-OE1 2.78Å; H354-E358 WeakPolarHBondContact O-CG 3.46Å; H354-E358 PolarHBondContact O-N 2.88Å; R355-E358 PolarHBondContact O-N 2.85Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 3.43Å; E358-V361 WeakPolarHBondContact O-CB 3.41Å; E358-V361 PolarHBondContact O-N 2.89Å; E358-V361 VanDerWaalsContact O-N 3.09Å; E358-D362 PolarHBondContact O-N 3.33Å
359	R	83.4	Confident	77.2	Confident	126 Å²	126	90.7 Å²	90.7	48%	0.475	45%	0.45	S	S	.	.	H	α-helix	trans	-56.8	-41.9	173.7	-78.3	176	170.8	174.3	-5.9	113	R355 L356 V361 D362 E363	R355-R359 WeakPolarHBondContact O-CB 3.32Å; R355-R359 WeakPolarHBondContact O-CG 3.38Å; R355-R359 PolarHBondContact O-N 3.34Å; L356-R359 PolarHBondContact O-N 3.32Å; R359-V361 VanDerWaalsContact C-N 3.34Å; R359-D362 PolarHBondContact O-N 3.31Å; R359-E363 WeakPolarHBondContact O-CB 3.43Å; R359-E363 PolarHBondContact O-N 3.49Å
360	L	81	Confident	75.2	Confident	97 Å²	97	94.1 Å²	94.1	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-69.1	-33.7	178.4	-174.8	68.2	0	0	0	111.8	L356 K357 E358 N364	L356-L360 VanDerWaalsContact O-CB 3.3Å; L356-L360 WeakPolarHBondContact O-CB 3.47Å; L356-L360 PolarHBondContact O-N 3.46Å; K357-L360 PolarHBondContact O-N 3.32Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 3.43Å; L360-N364 VanDerWaalsContact O-CB 3.24Å; L360-N364 WeakPolarHBondContact O-CB 3.45Å; L360-N364 PolarHBondContact O-N 3.28Å; L360-N364 PolarHBondContact O-ND2 2.84Å
361	V	76.8	Confident	73.2	Confident	83 Å²	83	94.5 Å²	94.5	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-67.8	-46.4	173.5	169.2	0	0	0	0	110	K357 E358 R359 N364 L365	K357-V361 VanDerWaalsContact O-CG2 3.31Å; K357-V361 WeakPolarHBondContact O-CG2 3.48Å; K357-V361 PolarHBondContact O-N 3.45Å; E358-V361 WeakPolarHBondContact O-CB 3.41Å; E358-V361 PolarHBondContact O-N 2.89Å; E358-V361 VanDerWaalsContact O-N 3.09Å; R359-V361 VanDerWaalsContact C-N 3.34Å; V361-N364 PolarHBondContact O-N 3.38Å; V361-L365 WeakPolarHBondContact O-CB 3.35Å; V361-L365 PolarHBondContact O-N 2.87Å
362	D	70.8	Confident	71.2	Confident	105 Å²	105	94.5 Å²	94.5	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-63.9	-41.6	177	-71.2	-17.6	0	0	0	111.6	E358 R359 L365 A366	E358-D362 PolarHBondContact O-N 3.33Å; R359-D362 PolarHBondContact O-N 3.31Å; D362-L365 PolarHBondContact O-N 2.79Å; D362-A366 VanDerWaalsContact O-CB 3.28Å; D362-A366 WeakPolarHBondContact O-CB 3.22Å; D362-A366 PolarHBondContact O-N 2.9Å
363	E	72.9	Confident	68.6	Low	112 Å²	112	96 Å²	96	52%	0.523	48%	0.481	S	S	.	.	H	α-helix	trans	-68	-41.2	175.6	-172.9	177.9	-175.5	0	0	111.2	R359 L365 A366 L367	R359-E363 WeakPolarHBondContact O-CB 3.43Å; R359-E363 PolarHBondContact O-N 3.49Å; E363-L365 VanDerWaalsContact C-N 3.3Å; E363-L365 PolarHBondContact O-N 2.84Å; E363-A366 PolarHBondContact O-N 3.47Å; E363-L367 HydrophobicContact CG-CD1 3.91Å; E363-L367 HydrophobicContact CG-CG 4.22Å; E363-L367 WeakPolarHBondContact O-CB 3.42Å; E363-L367 WeakPolarHBondContact O-CG 3.22Å; E363-L367 PolarHBondContact O-N 2.95Å
364	N	68.1	Low	66.1	Low	85 Å²	85	94.6 Å²	94.6	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-38.5	172.6	-90.5	-68.2	0	0	0	111.5	L360 V361 T368	L360-N364 VanDerWaalsContact O-CB 3.24Å; L360-N364 WeakPolarHBondContact O-CB 3.45Å; L360-N364 PolarHBondContact O-N 3.28Å; L360-N364 PolarHBondContact O-ND2 2.84Å; V361-N364 PolarHBondContact O-N 3.38Å; N364-T368 WeakPolarHBondContact O-CA 3.19Å; N364-T368 WeakPolarHBondContact O-CB 3.4Å; N364-T368 PolarHBondContact O-N 2.56Å; N364-T368 PolarHBondContact O-OG1 2.9Å
365	L	64.1	Low	63.7	Low	97 Å²	97	97.6 Å²	97.6	51%	0.508	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-45	176.3	-172.1	134.4	0	0	0	110.2	V361 D362 E363 T368 E369	V361-L365 WeakPolarHBondContact O-CB 3.35Å; V361-L365 PolarHBondContact O-N 2.87Å; D362-L365 PolarHBondContact O-N 2.79Å; E363-L365 VanDerWaalsContact C-N 3.3Å; E363-L365 PolarHBondContact O-N 2.84Å; L365-T368 PolarHBondContact O-N 2.96Å; L365-E369 HydrophobicContact CD2-CG 4.37Å; L365-E369 VanDerWaalsContact O-CB 3.3Å; L365-E369 WeakPolarHBondContact O-CB 3.44Å; L365-E369 VanDerWaalsContact O-CG 3.32Å; L365-E369 WeakPolarHBondContact O-CG 3.29Å; L365-E369 PolarHBondContact O-N 3Å
366	A	59	Low	61.6	Low	42 Å²	42	94.7 Å²	94.7	35%	0.347	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-39.4	175.7	0	0	0	0	0	112.4	D362 E363 Q370	D362-A366 VanDerWaalsContact O-CB 3.28Å; D362-A366 WeakPolarHBondContact O-CB 3.22Å; D362-A366 PolarHBondContact O-N 2.9Å; E363-A366 PolarHBondContact O-N 3.47Å; A366-Q370 VanDerWaalsContact O-CB 3.25Å; A366-Q370 WeakPolarHBondContact O-CB 3.33Å; A366-Q370 WeakPolarHBondContact O-CG 3.48Å; A366-Q370 PolarHBondContact O-N 3.32Å
367	L	57.8	Low	59.6	Low	73 Å²	73	96.8 Å²	96.8	38%	0.382	50%	0.499	S	S	.	.	H	α-helix	trans	-72.1	-33.4	174.8	-74.8	172.5	0	0	0	111.6	E363 Q370 L371	E363-L367 HydrophobicContact CG-CD1 3.91Å; E363-L367 HydrophobicContact CG-CG 4.22Å; E363-L367 WeakPolarHBondContact O-CB 3.42Å; E363-L367 WeakPolarHBondContact O-CG 3.22Å; E363-L367 PolarHBondContact O-N 2.95Å; L367-Q370 CarbonylContact O-C 3.39Å; L367-L371 VanDerWaalsContact O-CB 3.25Å; L367-L371 WeakPolarHBondContact O-CB 3.4Å; L367-L371 WeakPolarHBondContact O-CD1 3.46Å; L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 3.07Å
368	T	52.8	Low	57.8	Low	59 Å²	59	91.2 Å²	91.2	36%	0.362	48%	0.475	S	S	.	.	H	α-helix	trans	-73.3	-39.8	174.8	-59.8	0	0	0	0	110	N364 L365 L371 N372	N364-T368 WeakPolarHBondContact O-CA 3.19Å; N364-T368 WeakPolarHBondContact O-CB 3.4Å; N364-T368 PolarHBondContact O-N 2.56Å; N364-T368 PolarHBondContact O-OG1 2.9Å; L365-T368 PolarHBondContact O-N 2.96Å; T368-L371 PolarHBondContact O-N 2.9Å; T368-N372 WeakPolarHBondContact O-CB 3.36Å; T368-N372 PolarHBondContact O-N 2.93Å; T368-N372 PolarHBondContact O-ND2 2.89Å
369	E	50.1	Low	56.5	Low	83 Å²	83	88.6 Å²	88.6	39%	0.388	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-42.6	169.8	-77.5	-172.7	168.3	0	0	110.8	L365 N372 N373	L365-E369 HydrophobicContact CD2-CG 4.37Å; L365-E369 VanDerWaalsContact O-CB 3.3Å; L365-E369 WeakPolarHBondContact O-CB 3.44Å; L365-E369 VanDerWaalsContact O-CG 3.32Å; L365-E369 WeakPolarHBondContact O-CG 3.29Å; L365-E369 PolarHBondContact O-N 3Å; E369-N372 CarbonylContact O-C 3.52Å; E369-N372 PolarHBondContact O-N 3.44Å; E369-N373 VanDerWaalsContact O-CA 3.32Å; E369-N373 WeakPolarHBondContact O-CA 3.45Å; E369-N373 WeakPolarHBondContact O-CB 3.25Å; E369-N373 PolarHBondContact O-N 2.96Å; E369-N373 PolarHBondContact O-ND2 3.21Å
370	Q	47.8	Very low	55.6	Low	116 Å²	116	87.8 Å²	87.8	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-35.6	171.3	-76.6	177.6	5.1	0	0	111	A366 L367 N372 N373 V374	A366-Q370 VanDerWaalsContact O-CB 3.25Å; A366-Q370 WeakPolarHBondContact O-CB 3.33Å; A366-Q370 WeakPolarHBondContact O-CG 3.48Å; A366-Q370 PolarHBondContact O-N 3.32Å; L367-Q370 CarbonylContact O-C 3.39Å; Q370-N372 VanDerWaalsContact C-N 3.25Å; Q370-N372 PolarHBondContact O-N 2.93Å; Q370-N373 CarbonylContact O-C 3.58Å; Q370-V374 VanDerWaalsContact O-CA 3.22Å; Q370-V374 WeakPolarHBondContact O-CA 3.32Å; Q370-V374 WeakPolarHBondContact O-CB 3.29Å; Q370-V374 WeakPolarHBondContact O-CG2 3.36Å; Q370-V374 PolarHBondContact O-N 3.16Å
371	L	48.8	Very low	55.3	Low	119 Å²	119	84.3 Å²	84.3	62%	0.623	46%	0.459	S	S	*	.	H	α-helix	trans	-71.4	-25.9	175.4	-77.3	163.4	0	0	0	112.1	L367 T368	L367-L371 VanDerWaalsContact O-CB 3.25Å; L367-L371 WeakPolarHBondContact O-CB 3.4Å; L367-L371 WeakPolarHBondContact O-CD1 3.46Å; L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 3.07Å; T368-L371 PolarHBondContact O-N 2.9Å
372	N	46.5	Very low	55.1	Low	82 Å²	82	83.4 Å²	83.4	44%	0.439	45%	0.45	S	S	.	.	H	α-helix	trans	-89.8	-25.4	176.8	-67.2	-28.4	0	0	0	113.4	T368 E369 Q370	T368-N372 WeakPolarHBondContact O-CB 3.36Å; T368-N372 PolarHBondContact O-N 2.93Å; T368-N372 PolarHBondContact O-ND2 2.89Å; E369-N372 CarbonylContact O-C 3.52Å; E369-N372 PolarHBondContact O-N 3.44Å; Q370-N372 VanDerWaalsContact C-N 3.25Å; Q370-N372 PolarHBondContact O-N 2.93Å
373	N	35.3	Very low	55.3	Low	111 Å²	111	79.5 Å²	79.5	59%	0.594	44%	0.435	S	S	*	.	H	α-helix	trans	-114.3	-0.2	-179.1	-61.3	-25.4	0	0	0	112.5	E369 Q370 D375	E369-N373 VanDerWaalsContact O-CA 3.32Å; E369-N373 WeakPolarHBondContact O-CA 3.45Å; E369-N373 WeakPolarHBondContact O-CB 3.25Å; E369-N373 PolarHBondContact O-N 2.96Å; E369-N373 PolarHBondContact O-ND2 3.21Å; Q370-N373 CarbonylContact O-C 3.58Å; N373-D375 PolarHBondContact O-N 2.83Å
374	V	38.7	Very low	55.5	Low	85 Å²	85	83.4 Å²	83.4	52%	0.515	45%	0.445	S	S	.	.	S	Bend	trans	-61.7	87.6	149.5	162.8	0	0	0	0	99.9	Q370 S376	Q370-V374 VanDerWaalsContact O-CA 3.22Å; Q370-V374 WeakPolarHBondContact O-CA 3.32Å; Q370-V374 WeakPolarHBondContact O-CB 3.29Å; Q370-V374 WeakPolarHBondContact O-CG2 3.36Å; Q370-V374 PolarHBondContact O-N 3.16Å; V374-S376 PolarHBondContact O-N 2.95Å
375	D	36	Very low	56.1	Low	144 Å²	144	79.6 Å²	79.6	77%	0.77	43%	0.425	S	S	*	.				6.3	53.8	105.6	-65.3	-21.4	0	0	0	111.5	N373 E377	N373-D375 PolarHBondContact O-N 2.83Å; D375-E377 PolarHBondContact O-N 3.18Å
376	S	43.3	Very low	56.9	Low	42 Å²	42	83.4 Å²	83.4	29%	0.294	44%	0.44	S	S	.	.			trans	-43.7	126.8	135.9	175.8	0	0	0	0	102.5	V374 F378 G379	V374-S376 PolarHBondContact O-N 2.95Å; S376-F378 PolarHBondContact O-N 2.99Å; S376-F378 PolarHBondContact OG-N 2.75Å; S376-G379 PolarHBondContact O-N 3.41Å
377	E	47.1	Very low	58.1	Low	133 Å²	133	83 Å²	83	62%	0.621	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-12.7	172.7	-75.4	169.5	153.8	0	0	112.2	D375 L425	D375-E377 PolarHBondContact O-N 3.18Å; E377-L425 HydrophobicContact CB-CD2 4.1Å; E377-L425 WeakPolarHBondContact O-CD2 3.2Å; E377-L425 WeakPolarHBondContact O-CG 3.37Å
378	F	49.9	Very low	59.5	Low	18 Å²	18	79.7 Å²	79.7	8%	0.079	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	7	179.5	-49.3	-78.7	0	0	0	116.5	S376 E380 I381 L392 V395 E396 A421 L425	S376-F378 PolarHBondContact O-N 2.99Å; S376-F378 PolarHBondContact OG-N 2.75Å; F378-E380 PolarHBondContact O-N 3.31Å; F378-I381 HydrophobicContact CB-CB 4.28Å; F378-I381 HydrophobicContact CB-CD1 4.11Å; F378-L392 HydrophobicContact CB-CD2 4.18Å; F378-L392 HydrophobicContact CD1-CD2 3.69Å; F378-L392 HydrophobicContact CD2-CD1 4.23Å; F378-L392 HydrophobicContact CD2-CD2 3.87Å; F378-L392 HydrophobicContact CD2-CG 4.44Å; F378-L392 HydrophobicContact CE1-CB 4.22Å; F378-L392 HydrophobicContact CE1-CD2 3.91Å; F378-L392 HydrophobicContact CE2-CB 3.98Å; F378-L392 HydrophobicContact CE2-CD1 4.26Å; F378-L392 HydrophobicContact CE2-CD2 4.1Å; F378-L392 HydrophobicContact CE2-CG 4.33Å; F378-L392 HydrophobicContact CG-CD2 3.63Å; F378-L392 HydrophobicContact CZ-CB 3.74Å; F378-L392 HydrophobicContact CZ-CD2 4.08Å; F378-L392 HydrophobicContact CZ-CG 4.39Å; F378-V395 HydrophobicContact CD1-CG1 4Å; F378-V395 HydrophobicContact CE1-CB 4.04Å; F378-V395 HydrophobicContact CE1-CG1 3.73Å; F378-E396 HydrophobicContact CE1-CG 4.08Å; F378-E396 HydrophobicContact CZ-CG 3.64Å; F378-E396 WeakPolarHBondContact CZ-OE1 3.47Å; F378-A421 HydrophobicContact CB-CB 4.38Å; F378-A421 HydrophobicContact CD1-CB 4.18Å; F378-L425 HydrophobicContact CD1-CD1 3.62Å; F378-L425 HydrophobicContact CE1-CD1 3.47Å; F378-L425 VanDerWaalsContact CE1-CD1 3.47Å; F378-L425 HydrophobicContact CZ-CD1 4.33Å
379	G	55.3	Low	61.1	Low	48 Å²	48	85 Å²	85	50%	0.495	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-83.9	171.2	0	0	0	0	0	115.8	S376	S376-G379 PolarHBondContact O-N 3.41Å
380	E	66	Low	62.8	Low	110 Å²	110	84 Å²	84	51%	0.514	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-1	-169.4	-71.3	172.5	-145.8	0	0	113.9	F378 L417 R420	F378-E380 PolarHBondContact O-N 3.31Å; E380-L417 HydrophobicContact CB-CD2 4.11Å; E380-L417 WeakPolarHBondContact OE2-CD2 3.45Å; E380-R420 IonicContact OE1-CZ 3.59Å; E380-R420 IonicContact OE1-NH1 2.92Å; E380-R420 PolarHBondContact OE1-NH1 3.35Å; E380-R420 IonicContact OE2-NH1 2.7Å; E380-R420 PolarHBondContact OE2-NH1 2.85Å
381	I	74.1	Confident	64.8	Low	23 Å²	23	78.7 Å²	78.7	12%	0.118	41%	0.412	C	S	.	.			trans	-89.9	115.5	-171.5	-61.4	166.9	0	0	0	111	F378 M388 L392 L417 I418 A421	F378-I381 HydrophobicContact CB-CB 4.28Å; F378-I381 HydrophobicContact CB-CD1 4.11Å; I381-M388 HydrophobicContact CG2-SD 4.16Å; I381-L392 HydrophobicContact CD1-CD2 4.36Å; I381-L392 HydrophobicContact CG2-CD2 4.23Å; I381-L417 HydrophobicContact CD1-CB 4.47Å; I381-L417 HydrophobicContact CG1-CB 4.05Å; I381-I418 HydrophobicContact CD1-CD1 3.58Å; I381-I418 HydrophobicContact CD1-CG1 4.23Å; I381-A421 HydrophobicContact CD1-CB 3.73Å
382	I	72.6	Confident	66.6	Low	64 Å²	64	73.9 Å²	73.9	33%	0.328	39%	0.387	S	S	.	.			trans	-103.7	112.1	177.1	-55.4	175.4	0	0	0	108.9	L561 L562 A565	I382-L561 HydrophobicContact CG2-CB 3.95Å; I382-L562 HydrophobicContact CB-CD2 3.95Å; I382-L562 HydrophobicContact CG2-CD2 4.29Å; I382-A565 HydrophobicContact CD1-CB 3.3Å
383	G	75.1	Confident	68.6	Low	23 Å²	23	76 Å²	76	24%	0.237	39%	0.393	C	S	.	.			trans	-172.7	142.4	173.1	0	0	0	0	0	112.6	D558	G383-D558 WeakPolarHBondContact CA-OD1 3.23Å
384	R	76.5	Confident	71.1	Confident	194 Å²	194	73.8 Å²	73.8	73%	0.732	38%	0.379	S	S	*	.			trans	-127.1	-3.5	177.7	-65.8	-170.4	-175.7	-179.1	-3.2	113.3	D558 L561	R384-D558 PolarHBondContact N-OD1 3.4Å; R384-L561 HydrophobicContact CB-CD1 3.96Å; R384-L561 HydrophobicContact CG-CD1 3.59Å
385	S	81.5	Confident	73.6	Confident	6 Å²	6	69.8 Å²	69.8	4%	0.042	35%	0.354	C	S	.	.	S	Bend	trans	-60.5	147.8	173.9	61.3	0	0	0	0	111.4	A387 M388 Y389 R555 D558	S385-A387 PolarHBondContact O-N 3.15Å; S385-M388 PolarHBondContact O-N 3.33Å; S385-M388 VanDerWaalsContact O-N 3.07Å; S385-M388 VanDerWaalsContact OG-CB 3.29Å; S385-M388 WeakPolarHBondContact OG-CB 3.01Å; S385-M388 PolarHBondContact OG-N 3.14Å; S385-Y389 PolarHBondContact O-N 3.16Å; S385-R555 WeakPolarHBondContact OG-CB 3.49Å; S385-D558 WeakPolarHBondContact CB-OD2 3.32Å; S385-D558 PolarHBondContact N-OD1 3.01Å; S385-D558 PolarHBondContact OG-OD2 3.15Å
386	E	81.1	Confident	76	Confident	176 Å²	176	66.7 Å²	66.7	82%	0.822	34%	0.335	S	S	*	.	H	α-helix	trans	-57.6	-38	176.1	-174.4	179.1	179.8	0	0	111.3	M388 Y389 S390	E386-M388 PolarHBondContact O-N 2.73Å; E386-Y389 PolarHBondContact O-N 3.41Å; E386-S390 PolarHBondContact O-N 3.36Å
387	A	84.4	Confident	78.1	Confident	35 Å²	35	70.4 Å²	70.4	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-42.8	175.6	0	0	0	0	0	112	S385 V391 P550	S385-A387 PolarHBondContact O-N 3.15Å; A387-V391 WeakPolarHBondContact O-CG2 3.49Å; A387-V391 PolarHBondContact O-N 3.28Å; A387-P550 HydrophobicContact CB-CB 4.32Å; A387-P550 HydrophobicContact CB-CG 3.65Å
388	M	87	Confident	80.2	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-68.8	-39.9	174.9	-167	86.4	-29.1	0	0	111.9	I381 S385 E386 S390 V391 L392 P550 R555	I381-M388 HydrophobicContact CG2-SD 4.16Å; S385-M388 PolarHBondContact O-N 3.33Å; S385-M388 VanDerWaalsContact O-N 3.07Å; S385-M388 VanDerWaalsContact OG-CB 3.29Å; S385-M388 WeakPolarHBondContact OG-CB 3.01Å; S385-M388 PolarHBondContact OG-N 3.14Å; E386-M388 PolarHBondContact O-N 2.73Å; M388-S390 VanDerWaalsContact C-N 3.29Å; M388-S390 PolarHBondContact O-N 2.82Å; M388-V391 HydrophobicContact CE-CB 4.47Å; M388-V391 HydrophobicContact CE-CG2 4.47Å; M388-V391 WeakPolarHBondContact O-CB 3.47Å; M388-V391 PolarHBondContact O-N 3.37Å; M388-V391 VanDerWaalsContact O-N 3.12Å; M388-L392 HydrophobicContact CG-CD1 4.28Å; M388-L392 HydrophobicContact CG-CG 4.34Å; M388-L392 WeakPolarHBondContact O-CG 3.36Å; M388-L392 PolarHBondContact O-N 2.92Å; M388-P550 HydrophobicContact CE-CG 4.41Å; M388-R555 PolarHBondContact SD-NH1 2.85Å
389	Y	85.8	Confident	82	Confident	170 Å²	170	63.4 Å²	63.4	67%	0.667	32%	0.317	S	S	*	.	H	α-helix	trans	-59.5	-41	177.1	-170.9	-101.8	0	0	0	112.1	S385 E386 V391 L392 K393	S385-Y389 PolarHBondContact O-N 3.16Å; E386-Y389 PolarHBondContact O-N 3.41Å; Y389-V391 PolarHBondContact O-N 3.4Å; Y389-L392 PolarHBondContact O-N 3.01Å; Y389-K393 PolarHBondContact O-N 3.47Å
390	S	86.1	Confident	83.5	Confident	63 Å²	63	69.7 Å²	69.7	44%	0.441	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-41.9	174.1	-177.8	0	0	0	0	112.5	E386 M388 Q394	E386-S390 PolarHBondContact O-N 3.36Å; M388-S390 VanDerWaalsContact C-N 3.29Å; M388-S390 PolarHBondContact O-N 2.82Å; S390-Q394 WeakPolarHBondContact O-CG 3.45Å; S390-Q394 PolarHBondContact O-N 3.43Å
391	V	89.2	Confident	84.6	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-46.4	175.9	169.4	0	0	0	0	111	A387 M388 Y389 K393 Q394 V395 I418 I547 H548 L549	A387-V391 WeakPolarHBondContact O-CG2 3.49Å; A387-V391 PolarHBondContact O-N 3.28Å; M388-V391 HydrophobicContact CE-CB 4.47Å; M388-V391 HydrophobicContact CE-CG2 4.47Å; M388-V391 WeakPolarHBondContact O-CB 3.47Å; M388-V391 PolarHBondContact O-N 3.37Å; M388-V391 VanDerWaalsContact O-N 3.12Å; Y389-V391 PolarHBondContact O-N 3.4Å; V391-K393 VanDerWaalsContact C-N 3.3Å; V391-K393 PolarHBondContact O-N 2.96Å; V391-Q394 WeakPolarHBondContact O-CB 3.4Å; V391-Q394 PolarHBondContact O-N 3.13Å; V391-Q394 VanDerWaalsContact O-N 3.08Å; V391-V395 HydrophobicContact CG1-CG2 4.39Å; V391-V395 WeakPolarHBondContact O-CG2 3.23Å; V391-V395 PolarHBondContact O-N 3.03Å; V391-I418 HydrophobicContact CG1-CD1 3.94Å; V391-I547 HydrophobicContact CG1-CG2 3.91Å; V391-H548 WeakPolarHBondContact CG2-O 3.36Å; V391-L549 HydrophobicContact CB-CD2 4.47Å; V391-L549 HydrophobicContact CG1-CD2 3.52Å; V391-L549 HydrophobicContact CG2-CD2 4.19Å
392	L	87.3	Confident	85.2	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-40.1	-179.3	-68.9	177.4	0	0	0	111.8	F378 I381 M388 Y389 Q394 V395 E396	F378-L392 HydrophobicContact CB-CD2 4.18Å; F378-L392 HydrophobicContact CD1-CD2 3.69Å; F378-L392 HydrophobicContact CD2-CD1 4.23Å; F378-L392 HydrophobicContact CD2-CD2 3.87Å; F378-L392 HydrophobicContact CD2-CG 4.44Å; F378-L392 HydrophobicContact CE1-CB 4.22Å; F378-L392 HydrophobicContact CE1-CD2 3.91Å; F378-L392 HydrophobicContact CE2-CB 3.98Å; F378-L392 HydrophobicContact CE2-CD1 4.26Å; F378-L392 HydrophobicContact CE2-CD2 4.1Å; F378-L392 HydrophobicContact CE2-CG 4.33Å; F378-L392 HydrophobicContact CG-CD2 3.63Å; F378-L392 HydrophobicContact CZ-CB 3.74Å; F378-L392 HydrophobicContact CZ-CD2 4.08Å; F378-L392 HydrophobicContact CZ-CG 4.39Å; I381-L392 HydrophobicContact CD1-CD2 4.36Å; I381-L392 HydrophobicContact CG2-CD2 4.23Å; M388-L392 HydrophobicContact CG-CD1 4.28Å; M388-L392 HydrophobicContact CG-CG 4.34Å; M388-L392 WeakPolarHBondContact O-CG 3.36Å; M388-L392 PolarHBondContact O-N 2.92Å; Y389-L392 PolarHBondContact O-N 3.01Å; L392-Q394 VanDerWaalsContact C-N 3.32Å; L392-Q394 PolarHBondContact O-N 3Å; L392-V395 WeakPolarHBondContact O-CA 3.34Å; L392-V395 WeakPolarHBondContact O-CB 3.26Å; L392-V395 PolarHBondContact O-N 2.94Å; L392-V395 VanDerWaalsContact O-N 3.1Å; L392-E396 PolarHBondContact O-N 3.3Å
393	K	87.6	Confident	86.1	Confident	127 Å²	127	69.4 Å²	69.4	55%	0.552	34%	0.343	S	S	*	.	H	α-helix	trans	-62.5	-37.3	173.7	-170	177.8	-177.2	177.5	0	112.9	Y389 V391 M397	Y389-K393 PolarHBondContact O-N 3.47Å; V391-K393 VanDerWaalsContact C-N 3.3Å; V391-K393 PolarHBondContact O-N 2.96Å; K393-M397 WeakPolarHBondContact O-CB 3.33Å; K393-M397 PolarHBondContact O-N 3.01Å; K393-M397 VanDerWaalsContact O-N 3.16Å
394	Q	89.6	Confident	86.9	Confident	64 Å²	64	69.3 Å²	69.3	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-38	172.9	-72.3	177.5	-6.9	0	0	111.7	S390 V391 L392 M397 V398 F545 I547	S390-Q394 WeakPolarHBondContact O-CG 3.45Å; S390-Q394 PolarHBondContact O-N 3.43Å; V391-Q394 WeakPolarHBondContact O-CB 3.4Å; V391-Q394 PolarHBondContact O-N 3.13Å; V391-Q394 VanDerWaalsContact O-N 3.08Å; L392-Q394 VanDerWaalsContact C-N 3.32Å; L392-Q394 PolarHBondContact O-N 3Å; Q394-M397 PolarHBondContact O-N 3.36Å; Q394-V398 WeakPolarHBondContact O-CB 3.33Å; Q394-V398 WeakPolarHBondContact O-CG1 3.48Å; Q394-V398 PolarHBondContact O-N 2.83Å; Q394-F545 HydrophobicContact CB-CE1 4.07Å; Q394-F545 HydrophobicContact CB-CZ 4.24Å; Q394-F545 HydrophobicContact CG-CZ 4.48Å; Q394-I547 HydrophobicContact CB-CG1 4.48Å
395	V	89.4	Confident	87.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-48.5	175.7	169.9	0	0	0	0	111	F378 V391 L392 M397 V398 A399 I418 A421 I422 L425 I547	F378-V395 HydrophobicContact CD1-CG1 4Å; F378-V395 HydrophobicContact CE1-CB 4.04Å; F378-V395 HydrophobicContact CE1-CG1 3.73Å; V391-V395 HydrophobicContact CG1-CG2 4.39Å; V391-V395 WeakPolarHBondContact O-CG2 3.23Å; V391-V395 PolarHBondContact O-N 3.03Å; L392-V395 WeakPolarHBondContact O-CA 3.34Å; L392-V395 WeakPolarHBondContact O-CB 3.26Å; L392-V395 PolarHBondContact O-N 2.94Å; L392-V395 VanDerWaalsContact O-N 3.1Å; V395-M397 VanDerWaalsContact C-N 3.35Å; V395-M397 PolarHBondContact O-N 2.93Å; V395-V398 PolarHBondContact O-N 3.39Å; V395-A399 WeakPolarHBondContact O-CB 3.44Å; V395-A399 PolarHBondContact O-N 2.86Å; V395-I418 HydrophobicContact CG2-CG2 3.87Å; V395-A421 HydrophobicContact CG1-CB 4.3Å; V395-I422 HydrophobicContact CB-CG1 4.32Å; V395-I422 HydrophobicContact CG1-CG1 3.7Å; V395-I422 HydrophobicContact CG2-CG1 4.07Å; V395-L425 HydrophobicContact CG1-CD1 4.24Å; V395-I547 HydrophobicContact CG2-CD1 4.18Å
396	E	87.5	Confident	88.5	Confident	80 Å²	80	59.8 Å²	59.8	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-55.9	-48.5	174.7	-87	166.8	-144.5	0	0	112.1	F378 L392 V398 A399	F378-E396 HydrophobicContact CE1-CG 4.08Å; F378-E396 HydrophobicContact CZ-CG 3.64Å; F378-E396 WeakPolarHBondContact CZ-OE1 3.47Å; L392-E396 PolarHBondContact O-N 3.3Å; E396-V398 PolarHBondContact O-N 3.41Å; E396-A399 PolarHBondContact O-N 3.43Å
397	M	87.7	Confident	89.2	Confident	120 Å²	120	51.4 Å²	51.4	59%	0.591	26%	0.262	S	S	*	.	H	α-helix	trans	-61.6	-45.2	-178.5	-174.6	-174.7	-59.9	0	0	111.7	K393 Q394 V395 F545	K393-M397 WeakPolarHBondContact O-CB 3.33Å; K393-M397 PolarHBondContact O-N 3.01Å; K393-M397 VanDerWaalsContact O-N 3.16Å; Q394-M397 PolarHBondContact O-N 3.36Å; V395-M397 VanDerWaalsContact C-N 3.35Å; V395-M397 PolarHBondContact O-N 2.93Å; M397-F545 HydrophobicContact SD-CE2 4.46Å
398	V	90.4	Very high	89.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-78.7	-28.2	-177.1	81.8	0	0	0	0	112.2	Q394 V395 E396 Q400 S401 V405 I422 R516 F545 I547	Q394-V398 WeakPolarHBondContact O-CB 3.33Å; Q394-V398 WeakPolarHBondContact O-CG1 3.48Å; Q394-V398 PolarHBondContact O-N 2.83Å; V395-V398 PolarHBondContact O-N 3.39Å; E396-V398 PolarHBondContact O-N 3.41Å; V398-Q400 PolarHBondContact O-N 3.02Å; V398-S401 PolarHBondContact O-N 2.95Å; V398-S401 VanDerWaalsContact O-O 3.09Å; V398-S401 PolarHBondContact O-OG 2.87Å; V398-V405 HydrophobicContact CB-CG2 4.4Å; V398-V405 HydrophobicContact CG1-CG2 4.01Å; V398-V405 HydrophobicContact CG2-CG2 3.46Å; V398-V405 VanDerWaalsContact CG2-CG2 3.46Å; V398-I422 HydrophobicContact CG1-CD1 4.44Å; V398-I422 HydrophobicContact CG1-CG1 4.21Å; V398-I422 HydrophobicContact CG1-CG2 4.24Å; V398-R516 PolarHBondContact O-NH2 2.69Å; V398-F545 HydrophobicContact CB-CD1 3.78Å; V398-F545 HydrophobicContact CB-CE1 3.71Å; V398-F545 HydrophobicContact CB-CG 4.26Å; V398-F545 HydrophobicContact CB-CZ 4.14Å; V398-F545 HydrophobicContact CG1-CD1 4.29Å; V398-F545 HydrophobicContact CG1-CE1 4.23Å; V398-F545 HydrophobicContact CG2-CB 4.01Å; V398-F545 HydrophobicContact CG2-CD1 3.59Å; V398-F545 HydrophobicContact CG2-CD2 4.23Å; V398-F545 HydrophobicContact CG2-CE1 4.05Å; V398-F545 HydrophobicContact CG2-CG 3.68Å; V398-I547 HydrophobicContact CG1-CD1 4.17Å
399	A	88	Confident	89.9	Confident	2 Å²	2	52 Å²	52	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-37	-178.3	0	0	0	0	0	112.3	V395 E396 S401 L425 S426 R516	V395-A399 WeakPolarHBondContact O-CB 3.44Å; V395-A399 PolarHBondContact O-N 2.86Å; E396-A399 PolarHBondContact O-N 3.43Å; A399-S401 PolarHBondContact O-N 2.98Å; A399-L425 HydrophobicContact CB-CB 3.51Å; A399-S426 WeakPolarHBondContact O-CA 3.3Å; A399-S426 VanDerWaalsContact O-CB 3.31Å; A399-S426 WeakPolarHBondContact O-CB 3.31Å; A399-R516 PolarHBondContact O-NH1 2.56Å
400	Q	86.9	Confident	90.2	Very high	180 Å²	180	47.1 Å²	47.1	84%	0.841	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.9	177.2	-61.5	-175	1.3	0	0	114.4	V398	V398-Q400 PolarHBondContact O-N 3.02Å
401	S	88.6	Confident	90.3	Very high	38 Å²	38	47.3 Å²	47.3	27%	0.266	25%	0.246	S	C	.	.	S	Bend	trans	-104.8	153.1	179.1	79	0	0	0	0	111.7	V398 A399 S403 R516	V398-S401 PolarHBondContact O-N 2.95Å; V398-S401 VanDerWaalsContact O-O 3.09Å; V398-S401 PolarHBondContact O-OG 2.87Å; A399-S401 PolarHBondContact O-N 2.98Å; S401-S403 PolarHBondContact O-N 2.8Å; S401-S403 PolarHBondContact OG-N 2.91Å; S401-S403 PolarHBondContact OG-OG 3.47Å; S401-R516 PolarHBondContact O-NE 2.83Å; S401-R516 PolarHBondContact O-NH1 3.37Å; S401-R516 PolarHBondContact O-NH2 2.78Å
402	D	87.6	Confident	90.2	Very high	105 Å²	105	47.3 Å²	47.3	56%	0.561	25%	0.247	S	C	*	.			trans	-86.1	12.9	171.6	-78.6	-45.5	0	0	0	113.4	R428	D402-R428 IonicContact OD1-CZ 3.87Å; D402-R428 IonicContact OD1-NE 3.59Å; D402-R428 PolarHBondContact OD1-NE 2.88Å; D402-R428 IonicContact OD1-NH2 3.73Å; D402-R428 PolarHBondContact OD1-NH2 3.2Å; D402-R428 IonicContact OD2-NH2 3.75Å
403	S	91	Very high	90.3	Very high	49 Å²	49	46.7 Å²	46.7	34%	0.343	24%	0.244	S	C	.	.			trans	-65.4	149.9	-177.4	-58.4	0	0	0	0	112.4	S401	S401-S403 PolarHBondContact O-N 2.8Å; S401-S403 PolarHBondContact OG-N 2.91Å; S401-S403 PolarHBondContact OG-OG 3.47Å
404	T	92.5	Very high	90.3	Very high	20 Å²	20	41.8 Å²	41.8	12%	0.123	23%	0.229	C	C	.	.			trans	-67	130.3	171	-55.3	0	0	0	0	110.4	L517 L542 F545	T404-L517 WeakPolarHBondContact CA-O 3.37Å; T404-L517 HydrophobicContact CG2-CB 4.11Å; T404-L517 HydrophobicContact CG2-CD2 4.23Å; T404-L517 HydrophobicContact CG2-CG 4.43Å; T404-L542 HydrophobicContact CG2-CD2 4.21Å; T404-F545 PolarHBondContact O-N 3.36Å
405	V	95	Very high	90.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134	-178.9	-170.9	0	0	0	0	109.6	V398 I407 I422 L517 I518 A519 F545 I547	V398-V405 HydrophobicContact CB-CG2 4.4Å; V398-V405 HydrophobicContact CG1-CG2 4.01Å; V398-V405 HydrophobicContact CG2-CG2 3.46Å; V398-V405 VanDerWaalsContact CG2-CG2 3.46Å; V405-I407 HydrophobicContact CG1-CG1 4.37Å; V405-I422 HydrophobicContact CB-CD1 4.5Å; V405-I422 HydrophobicContact CG1-CD1 3.92Å; V405-L517 PolarHBondContact N-O 3.17Å; V405-I518 HydrophobicContact CB-CG2 4.42Å; V405-A519 PolarHBondContact O-N 3.12Å; V405-F545 HydrophobicContact CG1-CD1 4.4Å; V405-I547 HydrophobicContact CG1-CD1 3.66Å; V405-I547 HydrophobicContact CG1-CG1 4.04Å
406	L	95.4	Very high	90.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.4	175.3	179.2	64.1	0	0	0	109.9	L408 V482 A519 T521 L525 L542 N543 F545 P546 I547	L406-L408 HydrophobicContact CD1-CD2 4.38Å; L406-L408 HydrophobicContact CD2-CD1 4.43Å; L406-L408 HydrophobicContact CD2-CD2 4.04Å; L406-L408 HydrophobicContact CD2-CG 4.32Å; L406-L408 HydrophobicContact CG-CD2 3.99Å; L406-L408 HydrophobicContact CG-CG 4.11Å; L406-V482 HydrophobicContact CD1-CG1 4.49Å; L406-A519 CarbonylContact C-O 3.47Å; L406-A519 WeakPolarHBondContact CA-O 3.22Å; L406-A519 HydrophobicContact CD1-CB 4.04Å; L406-T521 HydrophobicContact CD1-CG2 4.4Å; L406-L525 HydrophobicContact CD1-CD1 4.16Å; L406-L525 HydrophobicContact CD2-CD1 4.05Å; L406-L542 WeakPolarHBondContact CB-O 3.38Å; L406-N543 HydrophobicContact CD2-CB 4.13Å; L406-F545 PolarHBondContact N-O 3.43Å; L406-P546 CarbonylContact O-C 3.49Å; L406-P546 WeakPolarHBondContact O-CA 3.49Å; L406-I547 PolarHBondContact O-N 3.44Å
407	I	95.3	Very high	90.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112	178.8	-53.4	171.2	0	0	0	108.8	V405 K415 I418 A419 I422 I518 A519 A520 T521 I547 L549	V405-I407 HydrophobicContact CG1-CG1 4.37Å; I407-K415 HydrophobicContact CG2-CB 4.15Å; I407-K415 HydrophobicContact CG2-CD 4.31Å; I407-K415 HydrophobicContact CG2-CG 3.91Å; I407-I418 HydrophobicContact CD1-CB 4.3Å; I407-I418 HydrophobicContact CD1-CG2 3.9Å; I407-I418 HydrophobicContact CG1-CG2 4.45Å; I407-A419 HydrophobicContact CD1-CB 3.91Å; I407-I422 HydrophobicContact CD1-CD1 4.12Å; I407-I518 HydrophobicContact CD1-CG2 3.8Å; I407-I518 HydrophobicContact CG1-CG2 4.39Å; I407-A519 PolarHBondContact N-O 3.38Å; I407-A520 HydrophobicContact CB-CB 4.21Å; I407-A520 VanDerWaalsContact O-CA 3.27Å; I407-A520 WeakPolarHBondContact O-CA 3.48Å; I407-T521 PolarHBondContact O-N 3.12Å; I407-I547 CarbonylContact C-O 3.28Å; I407-I547 WeakPolarHBondContact CA-O 3.25Å; I407-L549 HydrophobicContact CG2-CD1 3.71Å; I407-L549 HydrophobicContact CG2-CG 3.91Å
408	L	93.7	Very high	90.5	Very high	33 Å²	33	35.2 Å²	35.2	17%	0.173	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.4	179.5	-63.3	171.7	0	0	0	109.3	L406 T521 P546 I547 H548 L549	L406-L408 HydrophobicContact CD1-CD2 4.38Å; L406-L408 HydrophobicContact CD2-CD1 4.43Å; L406-L408 HydrophobicContact CD2-CD2 4.04Å; L406-L408 HydrophobicContact CD2-CG 4.32Å; L406-L408 HydrophobicContact CG-CD2 3.99Å; L406-L408 HydrophobicContact CG-CG 4.11Å; L408-T521 HydrophobicContact CD2-CG2 3.71Å; L408-P546 HydrophobicContact CD1-CB 4.37Å; L408-I547 PolarHBondContact N-O 3.28Å; L408-H548 WeakPolarHBondContact CD1-CE1 3.46Å; L408-H548 WeakPolarHBondContact O-CA 3.5Å; L408-L549 PolarHBondContact O-N 2.96Å
409	G	92.5	Very high	90.5	Very high	16 Å²	16	35.2 Å²	35.2	17%	0.165	20%	0.198	C	C	.	.			trans	168.4	161	173.7	0	0	0	0	0	113.1	K415 T521 N522	G409-K415 PolarHBondContact O-NZ 3.35Å; G409-T521 PolarHBondContact N-O 3.36Å; G409-N522 VanDerWaalsContact O-CA 3.27Å; G409-N522 WeakPolarHBondContact O-CA 3.47Å; G409-N522 WeakPolarHBondContact O-CB 3.34Å
410	E	92.4	Very high	90.5	Very high	67 Å²	67	38.4 Å²	38.4	31%	0.313	21%	0.21	S	C	.	.			trans	-58.9	167	-178.7	-68.4	-179.6	-174	0	0	113	T413 K415 R553 N597	E410-T413 HydrophobicContact CB-CG2 4.01Å; E410-T413 PolarHBondContact O-OG1 2.89Å; E410-K415 PolarHBondContact O-NZ 2.72Å; E410-R553 IonicContact OE1-CZ 2.64Å; E410-R553 IonicContact OE1-NH1 3.18Å; E410-R553 PolarHBondContact OE1-NH1 2.86Å; E410-R553 IonicContact OE1-NH2 2.88Å; E410-R553 PolarHBondContact OE1-NH2 3.1Å; E410-R553 IonicContact OE2-CZ 3.38Å; E410-R553 IonicContact OE2-NH1 2.76Å; E410-R553 PolarHBondContact OE2-NH1 3.49Å; E410-R553 IonicContact OE2-NH2 2.7Å; E410-N597 VanDerWaalsContact CB-ND2 3.35Å; E410-N597 WeakPolarHBondContact CB-ND2 3.4Å; E410-N597 PolarHBondContact OE2-ND2 3.42Å
411	T	87.9	Confident	90.6	Very high	67 Å²	67	29.9 Å²	29.9	41%	0.411	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	140.4	172.4	-173.3	0	0	0	0	110.6	T413 N597	T411-T413 VanDerWaalsContact C-N 3.34Å; T411-T413 PolarHBondContact O-N 3.16Å; T411-N597 PolarHBondContact O-ND2 2.77Å
412	G	88	Confident	90.7	Very high	4 Å²	4	28.1 Å²	28.1	4%	0.041	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	8.1	176.1	0	0	0	0	0	116.8	G414 V598 R599	G412-G414 VanDerWaalsContact C-N 3.31Å; G412-G414 PolarHBondContact O-N 2.92Å; G412-V598 WeakPolarHBondContact O-CB 3.38Å; G412-V598 PolarHBondContact O-N 2.93Å; G412-R599 PolarHBondContact O-N 2.92Å
413	T	88.4	Confident	90.7	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.037	13%	0.132	C	C	.	.	S	Bend	trans	-75.8	-13.4	176.8	51.5	0	0	0	0	114.8	E410 T411 N597	E410-T413 HydrophobicContact CB-CG2 4.01Å; E410-T413 PolarHBondContact O-OG1 2.89Å; T411-T413 VanDerWaalsContact C-N 3.34Å; T411-T413 PolarHBondContact O-N 3.16Å; T413-N597 HydrophobicContact CG2-CB 3.96Å
414	G	89.4	Confident	90.5	Very high	24 Å²	24	24.6 Å²	24.6	25%	0.247	14%	0.135	C	C	.	.			trans	100.1	27.9	-179.6	0	0	0	0	0	115.4	G412 E416 L417 I418	G412-G414 VanDerWaalsContact C-N 3.31Å; G412-G414 PolarHBondContact O-N 2.92Å; G414-E416 VanDerWaalsContact C-N 3.27Å; G414-E416 PolarHBondContact O-N 2.89Å; G414-L417 WeakPolarHBondContact O-CB 3.33Å; G414-L417 PolarHBondContact O-N 3.4Å; G414-I418 PolarHBondContact O-N 3.34Å
415	K	90.7	Very high	90.2	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-50.5	-40.5	179.3	-63.3	-172.4	-66	-98.8	0	114.2	I407 G409 E410 L417 I418 A419 E481 A520 L549	I407-K415 HydrophobicContact CG2-CB 4.15Å; I407-K415 HydrophobicContact CG2-CD 4.31Å; I407-K415 HydrophobicContact CG2-CG 3.91Å; G409-K415 PolarHBondContact O-NZ 3.35Å; E410-K415 PolarHBondContact O-NZ 2.72Å; K415-L417 VanDerWaalsContact C-N 3.33Å; K415-L417 PolarHBondContact O-N 2.69Å; K415-I418 PolarHBondContact O-N 2.92Å; K415-A419 PolarHBondContact O-N 2.9Å; K415-E481 IonicContact NZ-OE1 3.4Å; K415-A520 HydrophobicContact CB-CB 4.11Å; K415-A520 HydrophobicContact CD-CB 3.98Å; K415-L549 HydrophobicContact CB-CD1 4.37Å; K415-L549 HydrophobicContact CG-CD1 3.77Å
416	E	88.6	Confident	89.8	Confident	52 Å²	52	26.4 Å²	26.4	24%	0.243	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-36.5	177.6	-175.1	179.8	174	0	0	112.5	G414 A419 R420 K435 F478	G414-E416 VanDerWaalsContact C-N 3.27Å; G414-E416 PolarHBondContact O-N 2.89Å; E416-A419 PolarHBondContact O-N 3.01Å; E416-R420 WeakPolarHBondContact O-CB 3.48Å; E416-R420 PolarHBondContact O-N 3.05Å; E416-R420 IonicContact OE1-NH2 3.68Å; E416-R420 PolarHBondContact OE1-NH2 3.41Å; E416-K435 WeakPolarHBondContact OE1-CD 3.21Å; E416-K435 IonicContact OE1-NZ 2.61Å; E416-K435 PolarHBondContact OE1-NZ 2.96Å; E416-F478 HydrophobicContact CB-CE1 4.13Å; E416-F478 HydrophobicContact CB-CZ 4.48Å; E416-F478 HydrophobicContact CG-CE1 4.18Å
417	L	88.5	Confident	89.3	Confident	57 Å²	57	30 Å²	30	30%	0.298	18%	0.181	S	C	.	.	H	α-helix	trans	-68.3	-40.8	179.2	-62.4	179.2	0	0	0	111	E380 I381 G414 K415 R420 A421	E380-L417 HydrophobicContact CB-CD2 4.11Å; E380-L417 WeakPolarHBondContact OE2-CD2 3.45Å; I381-L417 HydrophobicContact CD1-CB 4.47Å; I381-L417 HydrophobicContact CG1-CB 4.05Å; G414-L417 WeakPolarHBondContact O-CB 3.33Å; G414-L417 PolarHBondContact O-N 3.4Å; K415-L417 VanDerWaalsContact C-N 3.33Å; K415-L417 PolarHBondContact O-N 2.69Å; L417-R420 PolarHBondContact O-N 2.64Å; L417-A421 WeakPolarHBondContact O-CB 3.4Å; L417-A421 PolarHBondContact O-N 3.11Å
418	I	90.2	Very high	88.7	Confident	6 Å²	6	31.2 Å²	31.2	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-42.3	176.9	-63.5	-78.6	0	0	0	110.6	I381 V391 V395 I407 G414 K415 R420 A421 I422 L549	I381-I418 HydrophobicContact CD1-CD1 3.58Å; I381-I418 HydrophobicContact CD1-CG1 4.23Å; V391-I418 HydrophobicContact CG1-CD1 3.94Å; V395-I418 HydrophobicContact CG2-CG2 3.87Å; I407-I418 HydrophobicContact CD1-CB 4.3Å; I407-I418 HydrophobicContact CD1-CG2 3.9Å; I407-I418 HydrophobicContact CG1-CG2 4.45Å; G414-I418 PolarHBondContact O-N 3.34Å; K415-I418 PolarHBondContact O-N 2.92Å; I418-R420 VanDerWaalsContact C-N 3.32Å; I418-R420 PolarHBondContact O-N 2.81Å; I418-A421 PolarHBondContact O-N 3.44Å; I418-I422 HydrophobicContact CG2-CD1 4.1Å; I418-I422 VanDerWaalsContact O-CG1 3.3Å; I418-I422 WeakPolarHBondContact O-CG1 3.44Å; I418-I422 PolarHBondContact O-N 3.45Å; I418-L549 HydrophobicContact CB-CD1 4.42Å; I418-L549 HydrophobicContact CD1-CD2 3.96Å; I418-L549 HydrophobicContact CG1-CD1 3.88Å; I418-L549 HydrophobicContact CG1-CD2 3.77Å; I418-L549 HydrophobicContact CG1-CG 4.47Å
419	A	90.2	Very high	88.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-42.8	173.8	0	0	0	0	0	112.3	I407 K415 E416 I422 H423 M433 F478 I518	I407-A419 HydrophobicContact CD1-CB 3.91Å; K415-A419 PolarHBondContact O-N 2.9Å; E416-A419 PolarHBondContact O-N 3.01Å; A419-I422 PolarHBondContact O-N 3.28Å; A419-H423 PolarHBondContact O-N 2.87Å; A419-H423 VanDerWaalsContact O-N 3.07Å; A419-M433 HydrophobicContact CB-SD 4.43Å; A419-F478 HydrophobicContact CB-CD1 4.48Å; A419-F478 HydrophobicContact CB-CD2 3.29Å; A419-F478 HydrophobicContact CB-CE2 3.43Å; A419-F478 VanDerWaalsContact CB-CE2 3.43Å; A419-F478 HydrophobicContact CB-CG 3.87Å; A419-F478 HydrophobicContact CB-CZ 4.11Å; A419-I518 HydrophobicContact CB-CG2 3.87Å
420	R	88	Confident	87.4	Confident	69 Å²	69	39.9 Å²	39.9	26%	0.26	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-42	175.3	-170.7	-179.4	-58.9	159.8	10.8	111.5	E380 E416 L417 I418 H423 N424 M433	E380-R420 IonicContact OE1-CZ 3.59Å; E380-R420 IonicContact OE1-NH1 2.92Å; E380-R420 PolarHBondContact OE1-NH1 3.35Å; E380-R420 IonicContact OE2-NH1 2.7Å; E380-R420 PolarHBondContact OE2-NH1 2.85Å; E416-R420 WeakPolarHBondContact O-CB 3.48Å; E416-R420 PolarHBondContact O-N 3.05Å; E416-R420 IonicContact OE1-NH2 3.68Å; E416-R420 PolarHBondContact OE1-NH2 3.41Å; L417-R420 PolarHBondContact O-N 2.64Å; I418-R420 VanDerWaalsContact C-N 3.32Å; I418-R420 PolarHBondContact O-N 2.81Å; R420-H423 PolarHBondContact O-N 3.3Å; R420-N424 WeakPolarHBondContact O-CB 3.38Å; R420-N424 PolarHBondContact O-N 3.22Å; R420-N424 PolarHBondContact O-OD1 3.21Å; R420-M433 HydrophobicContact CB-CE 4.1Å
421	A	88.4	Confident	86.6	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-45.3	177.6	0	0	0	0	0	112.1	F378 I381 V395 L417 I418 H423 N424 L425	F378-A421 HydrophobicContact CB-CB 4.38Å; F378-A421 HydrophobicContact CD1-CB 4.18Å; I381-A421 HydrophobicContact CD1-CB 3.73Å; V395-A421 HydrophobicContact CG1-CB 4.3Å; L417-A421 WeakPolarHBondContact O-CB 3.4Å; L417-A421 PolarHBondContact O-N 3.11Å; I418-A421 PolarHBondContact O-N 3.44Å; A421-H423 VanDerWaalsContact C-N 3.28Å; A421-H423 PolarHBondContact O-N 2.87Å; A421-N424 PolarHBondContact O-N 3.39Å; A421-L425 WeakPolarHBondContact O-CB 3.25Å; A421-L425 PolarHBondContact O-N 2.91Å
422	I	90.3	Very high	86.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56	-45.2	173.8	-66.5	161.6	0	0	0	110.7	V395 V398 V405 I407 I418 A419 S426 I518 I547	V395-I422 HydrophobicContact CB-CG1 4.32Å; V395-I422 HydrophobicContact CG1-CG1 3.7Å; V395-I422 HydrophobicContact CG2-CG1 4.07Å; V398-I422 HydrophobicContact CG1-CD1 4.44Å; V398-I422 HydrophobicContact CG1-CG1 4.21Å; V398-I422 HydrophobicContact CG1-CG2 4.24Å; V405-I422 HydrophobicContact CB-CD1 4.5Å; V405-I422 HydrophobicContact CG1-CD1 3.92Å; I407-I422 HydrophobicContact CD1-CD1 4.12Å; I418-I422 HydrophobicContact CG2-CD1 4.1Å; I418-I422 VanDerWaalsContact O-CG1 3.3Å; I418-I422 WeakPolarHBondContact O-CG1 3.44Å; I418-I422 PolarHBondContact O-N 3.45Å; A419-I422 PolarHBondContact O-N 3.28Å; I422-S426 WeakPolarHBondContact O-CB 3.44Å; I422-S426 PolarHBondContact O-N 2.84Å; I422-I518 HydrophobicContact CB-CD1 4.11Å; I422-I518 HydrophobicContact CD1-CG2 4.46Å; I422-I518 HydrophobicContact CG2-CD1 3.78Å; I422-I547 HydrophobicContact CD1-CD1 4.11Å
423	H	88.3	Confident	86.1	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-45.4	-179.9	173.8	74.3	0	0	0	112.6	A419 R420 A421 L425 S426 R428 R431 M433 S476	A419-H423 PolarHBondContact O-N 2.87Å; A419-H423 VanDerWaalsContact O-N 3.07Å; R420-H423 PolarHBondContact O-N 3.3Å; A421-H423 VanDerWaalsContact C-N 3.28Å; A421-H423 PolarHBondContact O-N 2.87Å; H423-L425 VanDerWaalsContact C-N 3.3Å; H423-L425 PolarHBondContact O-N 3.37Å; H423-S426 WeakPolarHBondContact O-CB 3.44Å; H423-S426 PolarHBondContact O-N 3.19Å; H423-S426 VanDerWaalsContact O-N 3.08Å; H423-S426 PolarHBondContact O-OG 3.3Å; H423-R428 PolarHBondContact CE1-O 2.88Å; H423-R431 PolarHBondContact CE1-O 3.47Å; H423-R431 PolarHBondContact NE2-O 3.35Å; H423-M433 HydrophobicContact CB-CB 4.36Å; H423-M433 HydrophobicContact CB-CG 4.44Å; H423-M433 HydrophobicContact CB-SD 3.84Å; H423-M433 PolarHBondContact NE2-N 2.99Å; H423-S476 VanDerWaalsContact ND1-CB 3.34Å; H423-S476 WeakPolarHBondContact ND1-CB 3.33Å; H423-S476 PolarHBondContact ND1-OG 2.84Å
424	N	86.8	Confident	85.9	Confident	75 Å²	75	49.6 Å²	49.6	40%	0.401	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-35.4	-179.3	-72.1	-3.1	0	0	0	112.6	R420 A421 S426 N429	R420-N424 WeakPolarHBondContact O-CB 3.38Å; R420-N424 PolarHBondContact O-N 3.22Å; R420-N424 PolarHBondContact O-OD1 3.21Å; A421-N424 PolarHBondContact O-N 3.39Å; N424-S426 VanDerWaalsContact C-N 3.32Å; N424-N429 VanDerWaalsContact O-CB 3.23Å; N424-N429 WeakPolarHBondContact O-CB 3.47Å; N424-N429 PolarHBondContact O-ND2 2.74Å
425	L	86.5	Confident	85.9	Confident	56 Å²	56	53.8 Å²	53.8	29%	0.293	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.7	176.3	-70.6	173.2	0	0	0	113.8	E377 F378 V395 A399 A421 H423	E377-L425 HydrophobicContact CB-CD2 4.1Å; E377-L425 WeakPolarHBondContact O-CD2 3.2Å; E377-L425 WeakPolarHBondContact O-CG 3.37Å; F378-L425 HydrophobicContact CD1-CD1 3.62Å; F378-L425 HydrophobicContact CE1-CD1 3.47Å; F378-L425 VanDerWaalsContact CE1-CD1 3.47Å; F378-L425 HydrophobicContact CZ-CD1 4.33Å; V395-L425 HydrophobicContact CG1-CD1 4.24Å; A399-L425 HydrophobicContact CB-CB 3.51Å; A421-L425 WeakPolarHBondContact O-CB 3.25Å; A421-L425 PolarHBondContact O-N 2.91Å; H423-L425 VanDerWaalsContact C-N 3.3Å; H423-L425 PolarHBondContact O-N 3.37Å
426	S	87.1	Confident	85.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	-83.6	160.1	178.4	78.6	0	0	0	0	112.3	A399 I422 H423 N424 R428 N429	A399-S426 WeakPolarHBondContact O-CA 3.3Å; A399-S426 VanDerWaalsContact O-CB 3.31Å; A399-S426 WeakPolarHBondContact O-CB 3.31Å; I422-S426 WeakPolarHBondContact O-CB 3.44Å; I422-S426 PolarHBondContact O-N 2.84Å; H423-S426 WeakPolarHBondContact O-CB 3.44Å; H423-S426 PolarHBondContact O-N 3.19Å; H423-S426 VanDerWaalsContact O-N 3.08Å; H423-S426 PolarHBondContact O-OG 3.3Å; N424-S426 VanDerWaalsContact C-N 3.32Å; S426-R428 PolarHBondContact O-N 3.21Å; S426-R428 PolarHBondContact OG-N 3.48Å; S426-N429 WeakPolarHBondContact O-CB 3.24Å; S426-N429 VanDerWaalsContact O-CG 3.26Å; S426-N429 PolarHBondContact O-N 3.32Å
427	G	84.1	Confident	85.5	Confident	75 Å²	75	54.3 Å²	54.3	77%	0.773	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-6.6	169.6	0	0	0	0	0	114.7
428	R	83.8	Confident	85.4	Confident	26 Å²	26	51.8 Å²	51.8	10%	0.098	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	3.7	178.2	-59.3	-174.3	-177.5	-134.1	-9.2	113.6	D402 H423 S426 N430 R431 S475 D514 R516	D402-R428 IonicContact OD1-CZ 3.87Å; D402-R428 IonicContact OD1-NE 3.59Å; D402-R428 PolarHBondContact OD1-NE 2.88Å; D402-R428 IonicContact OD1-NH2 3.73Å; D402-R428 PolarHBondContact OD1-NH2 3.2Å; D402-R428 IonicContact OD2-NH2 3.75Å; H423-R428 PolarHBondContact CE1-O 2.88Å; S426-R428 PolarHBondContact O-N 3.21Å; S426-R428 PolarHBondContact OG-N 3.48Å; R428-N430 PolarHBondContact O-N 2.88Å; R428-N430 VanDerWaalsContact O-N 3.11Å; R428-R431 PolarHBondContact O-N 3.24Å; R428-R431 VanDerWaalsContact O-N 3.17Å; R428-S475 WeakPolarHBondContact CD-O 3.49Å; R428-S475 PolarHBondContact NH1-O 3.21Å; R428-D514 IonicContact CZ-OD1 3.66Å; R428-D514 PolarHBondContact NH1-O 3.48Å; R428-D514 IonicContact NH1-OD1 2.8Å; R428-D514 PolarHBondContact NH1-OD1 3.46Å; R428-D514 IonicContact NH2-OD1 2.85Å; R428-D514 PolarHBondContact NH2-OD1 3.44Å; R428-D514 IonicContact NH2-OD2 3.16Å; R428-R516 VanDerWaalsContact NH1-N 3.11Å
429	N	81.3	Confident	85	Confident	79 Å²	79	54.1 Å²	54.1	42%	0.422	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.9	-177.6	66.3	-0.8	0	0	0	115.1	N424 S426 R431	N424-N429 VanDerWaalsContact O-CB 3.23Å; N424-N429 WeakPolarHBondContact O-CB 3.47Å; N424-N429 PolarHBondContact O-ND2 2.74Å; S426-N429 WeakPolarHBondContact O-CB 3.24Å; S426-N429 VanDerWaalsContact O-CG 3.26Å; S426-N429 PolarHBondContact O-N 3.32Å; N429-R431 PolarHBondContact O-N 2.98Å
430	N	76	Confident	84.4	Confident	152 Å²	152	57.9 Å²	57.9	81%	0.813	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.8	174.8	-72.7	-31	0	0	0	113.7	R428	R428-N430 PolarHBondContact O-N 2.88Å; R428-N430 VanDerWaalsContact O-N 3.11Å
431	R	76.8	Confident	83.9	Confident	121 Å²	121	57.7 Å²	57.7	46%	0.457	31%	0.313	S	S	.	.	S	Bend	trans	-118.8	146	177.1	-68.7	-172.5	176.8	-168.5	-2.3	109.3	H423 R428 N429 M433 D473 S475	H423-R431 PolarHBondContact CE1-O 3.47Å; H423-R431 PolarHBondContact NE2-O 3.35Å; R428-R431 PolarHBondContact O-N 3.24Å; R428-R431 VanDerWaalsContact O-N 3.17Å; N429-R431 PolarHBondContact O-N 2.98Å; R431-M433 PolarHBondContact O-N 3.37Å; R431-D473 PolarHBondContact NH1-O 2.86Å; R431-S475 PolarHBondContact O-OG 3.47Å
432	R	80.2	Confident	83.7	Confident	186 Å²	186	61.9 Å²	61.9	70%	0.702	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-59.3	137.2	177.4	69.4	-174.3	-177	-173.5	-0.6	111.7	V434 S475	R432-V434 PolarHBondContact O-N 3.45Å; R432-S475 PolarHBondContact O-OG 2.98Å
433	M	85.4	Confident	83.2	Confident	31 Å²	31	63.6 Å²	63.6	15%	0.153	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-64.1	127.8	164.7	-173	172.6	69.3	0	0	110	A419 R420 H423 R431 S476 F478	A419-M433 HydrophobicContact CB-SD 4.43Å; R420-M433 HydrophobicContact CB-CE 4.1Å; H423-M433 HydrophobicContact CB-CB 4.36Å; H423-M433 HydrophobicContact CB-CG 4.44Å; H423-M433 HydrophobicContact CB-SD 3.84Å; H423-M433 PolarHBondContact NE2-N 2.99Å; R431-M433 PolarHBondContact O-N 3.37Å; M433-S476 WeakPolarHBondContact CA-O 3.24Å; M433-F478 HydrophobicContact CE-CB 4.19Å; M433-F478 HydrophobicContact CG-CB 4.23Å; M433-F478 HydrophobicContact SD-CB 3.87Å
434	V	84.1	Confident	82.9	Confident	10 Å²	10	65.6 Å²	65.6	6%	0.061	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.8	171.8	-179.2	0	0	0	0	107.8	R432 R468 L471 A472 S476 L477 F478	R432-V434 PolarHBondContact O-N 3.45Å; V434-R468 HydrophobicContact CG1-CB 3.99Å; V434-R468 HydrophobicContact CG1-CG 4.24Å; V434-L471 HydrophobicContact CG2-CB 4.29Å; V434-A472 HydrophobicContact CB-CB 3.9Å; V434-A472 HydrophobicContact CG2-CB 3.71Å; V434-S476 PolarHBondContact N-O 2.88Å; V434-L477 HydrophobicContact CB-CD1 3.89Å; V434-L477 HydrophobicContact CG1-CD1 3.72Å; V434-L477 CarbonylContact O-C 3.44Å; V434-L477 WeakPolarHBondContact O-CA 3.11Å; V434-F478 PolarHBondContact O-N 3.45Å
435	K	88.4	Confident	82.8	Confident	112 Å²	112	66.5 Å²	66.5	49%	0.487	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.3	179.9	64	-180	-175.9	176.7	0	112.3	E416 R468 F478	E416-K435 WeakPolarHBondContact OE1-CD 3.21Å; E416-K435 IonicContact OE1-NZ 2.61Å; E416-K435 PolarHBondContact OE1-NZ 2.96Å; K435-R468 PolarHBondContact O-NH1 3.3Å; K435-F478 HydrophobicContact CB-CB 4.38Å; K435-F478 HydrophobicContact CB-CD1 4.16Å
436	M	85.1	Confident	82.8	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.059	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	141.4	178.6	-175.8	156.8	178.1	0	0	110.4	M441 L446 D449 L450 R468 F478 L479 D480	M436-M441 HydrophobicContact CE-SD 4.44Å; M436-L446 HydrophobicContact CE-CD1 3.25Å; M436-L446 HydrophobicContact CE-CG 3.86Å; M436-D449 HydrophobicContact CE-CB 4Å; M436-L450 HydrophobicContact CE-CD1 4.32Å; M436-L450 HydrophobicContact CE-CD2 3.96Å; M436-L450 HydrophobicContact CE-CG 3.57Å; M436-L450 HydrophobicContact SD-CD2 3.34Å; M436-L450 WeakPolarHBondContact SD-CD2 3.25Å; M436-L450 HydrophobicContact SD-CG 3.64Å; M436-R468 HydrophobicContact SD-CB 4.36Å; M436-R468 HydrophobicContact SD-CG 3.66Å; M436-F478 PolarHBondContact N-O 2.72Å; M436-L479 HydrophobicContact CB-CD2 4.09Å; M436-D480 PolarHBondContact O-N 2.94Å
437	N	86.8	Confident	82.9	Confident	64 Å²	64	65.3 Å²	65.3	34%	0.342	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.6	176.1	-177.3	-31.5	0	0	0	108.8	A439 D480	N437-A439 WeakPolarHBondContact OD1-CB 3.45Å; N437-A439 PolarHBondContact OD1-N 3.32Å; N437-D480 HydrophobicContact CB-CB 4.32Å
438	C	86.4	Confident	83.1	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.02	34%	0.339	C	S	.	.	S	Bend	trans	-79.1	-23.9	-175.6	-54	0	0	0	0	113.1	A440 L446 D480 E481	C438-A440 VanDerWaalsContact C-N 3.34Å; C438-A440 PolarHBondContact O-N 3.26Å; C438-L446 HydrophobicContact CB-CD2 4.47Å; C438-D480 PolarHBondContact N-O 3.38Å; C438-D480 PolarHBondContact SG-O 3.23Å; C438-D480 VanDerWaalsContact SG-O 3.4Å; C438-E481 WeakPolarHBondContact CB-O 3.48Å
439	A	81.9	Confident	83.3	Confident	56 Å²	56	61.3 Å²	61.3	46%	0.463	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.7	-178.3	0	0	0	0	0	113.6	N437 E481 D484	N437-A439 WeakPolarHBondContact OD1-CB 3.45Å; N437-A439 PolarHBondContact OD1-N 3.32Å; A439-E481 HydrophobicContact CB-CB 4.1Å; A439-D484 HydrophobicContact CB-CB 4.24Å
440	A	77.1	Confident	83.7	Confident	79 Å²	79	57.6 Å²	57.6	65%	0.653	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-10.2	-170.1	0	0	0	0	0	115	C438	C438-A440 VanDerWaalsContact C-N 3.34Å; C438-A440 PolarHBondContact O-N 3.26Å
441	M	78.1	Confident	84.4	Confident	65 Å²	65	50.5 Å²	50.5	32%	0.32	28%	0.279	S	S	.	.	S	Bend	trans	-132.1	140.5	-166.9	-61.8	179.6	68.2	0	0	113	M436 L445 L446 D449	M436-M441 HydrophobicContact CE-SD 4.44Å; M441-L445 HydrophobicContact CE-CB 3.78Å; M441-L446 HydrophobicContact CB-CB 4.4Å; M441-L446 HydrophobicContact CB-CD1 4.06Å; M441-D449 HydrophobicContact CE-CB 4.15Å
442	P	83.3	Confident	85	Confident	89 Å²	89	44.8 Å²	44.8	58%	0.578	26%	0.257	S	S	*	.			trans	-59.8	152.4	168.8	-21.5	31.6	0	0	0	112.6	G444 L445 L446	P442-G444 PolarHBondContact O-N 2.61Å; P442-L445 HydrophobicContact CG-CD1 4.31Å; P442-L445 PolarHBondContact O-N 2.99Å; P442-L446 PolarHBondContact O-N 3.09Å
443	A	80.8	Confident	85.4	Confident	36 Å²	36	36.7 Å²	36.7	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-48.6	-51	-173.8	0	0	0	0	0	114.6	L445 L446 E447 P486	A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 3.45Å; A443-L446 WeakPolarHBondContact O-CB 3.25Å; A443-L446 PolarHBondContact O-N 2.9Å; A443-E447 PolarHBondContact O-N 3.45Å; A443-P486 HydrophobicContact CB-CB 4.08Å; A443-P486 HydrophobicContact CB-CG 3.66Å
444	G	81.4	Confident	85.5	Confident	48 Å²	48	37.4 Å²	37.4	50%	0.495	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-31.9	-178.3	0	0	0	0	0	114.3	P442 S448	P442-G444 PolarHBondContact O-N 2.61Å; G444-S448 WeakPolarHBondContact O-CB 3.48Å; G444-S448 PolarHBondContact O-N 3.19Å
445	L	84.5	Confident	85.6	Confident	94 Å²	94	46.3 Å²	46.3	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-76.6	-34.9	175	-70.7	175.4	0	0	0	111.4	M441 P442 A443 S448 D449	M441-L445 HydrophobicContact CE-CB 3.78Å; P442-L445 HydrophobicContact CG-CD1 4.31Å; P442-L445 PolarHBondContact O-N 2.99Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 3.45Å; L445-S448 PolarHBondContact O-N 3.41Å; L445-D449 PolarHBondContact O-N 3.38Å
446	L	87.1	Confident	85.3	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-45.5	175.4	-165.7	76.9	0	0	0	110.8	M436 C438 M441 P442 A443 D449 L450 M485 L489	M436-L446 HydrophobicContact CE-CD1 3.25Å; M436-L446 HydrophobicContact CE-CG 3.86Å; C438-L446 HydrophobicContact CB-CD2 4.47Å; M441-L446 HydrophobicContact CB-CB 4.4Å; M441-L446 HydrophobicContact CB-CD1 4.06Å; P442-L446 PolarHBondContact O-N 3.09Å; A443-L446 WeakPolarHBondContact O-CB 3.25Å; A443-L446 PolarHBondContact O-N 2.9Å; L446-D449 PolarHBondContact O-N 3.41Å; L446-L450 HydrophobicContact CG-CD1 4.12Å; L446-L450 WeakPolarHBondContact O-CB 3.28Å; L446-L450 WeakPolarHBondContact O-CG 3.38Å; L446-L450 PolarHBondContact O-N 3.29Å; L446-M485 HydrophobicContact CD2-CG 4.47Å; L446-L489 HydrophobicContact CB-CD1 4.09Å; L446-L489 HydrophobicContact CD2-CD1 3.78Å; L446-L489 HydrophobicContact CG-CD1 4.24Å
447	E	89.4	Confident	85.1	Confident	33 Å²	33	45 Å²	45	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-46.6	177.4	-165.4	177.3	-173.4	0	0	112.5	A443 D449 L450 F451 L489 K492 L505	A443-E447 PolarHBondContact O-N 3.45Å; E447-D449 VanDerWaalsContact C-N 3.3Å; E447-D449 PolarHBondContact O-N 3.03Å; E447-L450 PolarHBondContact O-N 3.43Å; E447-F451 HydrophobicContact CG-CD2 3.83Å; E447-F451 HydrophobicContact CG-CE2 4.28Å; E447-F451 PolarHBondContact O-N 3.35Å; E447-L489 HydrophobicContact CB-CD1 4.21Å; E447-L489 HydrophobicContact CB-CD2 3.62Å; E447-L489 HydrophobicContact CG-CD2 3.48Å; E447-L489 VanDerWaalsContact CG-CD2 3.48Å; E447-K492 WeakPolarHBondContact OE1-CE 3.43Å; E447-K492 IonicContact OE1-NZ 2.77Å; E447-K492 PolarHBondContact OE1-NZ 3.35Å; E447-L505 HydrophobicContact CB-CD1 4.03Å; E447-L505 HydrophobicContact CG-CD1 3.71Å; E447-L505 HydrophobicContact CG-CD2 4.1Å; E447-L505 HydrophobicContact CG-CG 4.07Å; E447-L505 WeakPolarHBondContact OE1-CD2 3.25Å
448	S	86.9	Confident	84.9	Confident	8 Å²	8	46.2 Å²	46.2	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-37.8	176.5	-174.7	0	0	0	0	113	G444 L445 G452 H453 L505	G444-S448 WeakPolarHBondContact O-CB 3.48Å; G444-S448 PolarHBondContact O-N 3.19Å; L445-S448 PolarHBondContact O-N 3.41Å; S448-G452 WeakPolarHBondContact O-CA 3.33Å; S448-G452 PolarHBondContact O-N 3.36Å; S448-G452 VanDerWaalsContact O-N 3.09Å; S448-H453 PolarHBondContact OG-CE1 2.8Å; S448-H453 PolarHBondContact OG-ND1 2.67Å; S448-L505 VanDerWaalsContact CA-CD1 3.42Å
449	D	88.5	Confident	84.3	Confident	9 Å²	9	53 Å²	53	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-81.3	-35.6	178.7	-155.4	52.3	0	0	0	112.1	M436 M441 L445 L446 E447 R465 G467 R468	M436-D449 HydrophobicContact CE-CB 4Å; M441-D449 HydrophobicContact CE-CB 4.15Å; L445-D449 PolarHBondContact O-N 3.38Å; L446-D449 PolarHBondContact O-N 3.41Å; E447-D449 VanDerWaalsContact C-N 3.3Å; E447-D449 PolarHBondContact O-N 3.03Å; D449-R465 IonicContact OD1-CZ 3.92Å; D449-R465 IonicContact OD1-NE 2.6Å; D449-R465 IonicContact OD1-NH2 2.79Å; D449-R465 PolarHBondContact OD1-NH2 2.8Å; D449-G467 CarbonylContact O-C 3.6Å; D449-G467 WeakPolarHBondContact O-CA 3.12Å; D449-R468 VanDerWaalsContact O-CG 3.31Å; D449-R468 WeakPolarHBondContact O-CG 3.45Å; D449-R468 PolarHBondContact O-N 3.32Å; D449-R468 IonicContact OD1-NE 3.72Å; D449-R468 PolarHBondContact OD1-NE 3.36Å; D449-R468 IonicContact OD1-NH2 3.2Å; D449-R468 IonicContact OD2-CZ 3.07Å; D449-R468 IonicContact OD2-NE 2.76Å; D449-R468 PolarHBondContact OD2-NE 3.39Å; D449-R468 IonicContact OD2-NH2 3.95Å; D449-R468 PolarHBondContact OD2-NH2 3.26Å
450	L	89.7	Confident	84.1	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-55.1	177.8	-80.3	169.8	0	0	0	112.8	M436 L446 E447 G467 R468 F469 L479 M485	M436-L450 HydrophobicContact CE-CD1 4.32Å; M436-L450 HydrophobicContact CE-CD2 3.96Å; M436-L450 HydrophobicContact CE-CG 3.57Å; M436-L450 HydrophobicContact SD-CD2 3.34Å; M436-L450 WeakPolarHBondContact SD-CD2 3.25Å; M436-L450 HydrophobicContact SD-CG 3.64Å; L446-L450 HydrophobicContact CG-CD1 4.12Å; L446-L450 WeakPolarHBondContact O-CB 3.28Å; L446-L450 WeakPolarHBondContact O-CG 3.38Å; L446-L450 PolarHBondContact O-N 3.29Å; E447-L450 PolarHBondContact O-N 3.43Å; L450-G467 CarbonylContact O-C 3.54Å; L450-G467 WeakPolarHBondContact O-CA 3.36Å; L450-R468 PolarHBondContact O-N 2.84Å; L450-F469 HydrophobicContact CB-CD2 4.45Å; L450-F469 HydrophobicContact CB-CE2 4.47Å; L450-F469 HydrophobicContact CD2-CD2 4.47Å; L450-F469 HydrophobicContact CD2-CE2 4.03Å; L450-F469 PolarHBondContact O-N 2.93Å; L450-F469 VanDerWaalsContact O-N 3.1Å; L450-L479 HydrophobicContact CD2-CD2 3.91Å; L450-M485 HydrophobicContact CD1-CE 4.06Å
451	F	90.5	Very high	84.1	Confident	4 Å²	4	50 Å²	50	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-100.3	-15	-170.9	-55.2	-71.4	0	0	0	113	E447 F469 K492 V496 F502	E447-F451 HydrophobicContact CG-CD2 3.83Å; E447-F451 HydrophobicContact CG-CE2 4.28Å; E447-F451 PolarHBondContact O-N 3.35Å; F451-F469 AromaticContact CD1-CD2 4Å; F451-F469 HydrophobicContact CD1-CD2 4Å; F451-F469 HydrophobicContact CD1-CE2 4.39Å; F451-F469 AromaticContact CE1-CD2 3.92Å; F451-F469 HydrophobicContact CE1-CD2 3.92Å; F451-F469 AromaticContact CE1-CE2 3.85Å; F451-F469 HydrophobicContact CE1-CE2 3.85Å; F451-F469 HydrophobicContact CZ-CE2 4.37Å; F451-K492 HydrophobicContact CD2-CD 4.47Å; F451-K492 HydrophobicContact CE1-CB 4.12Å; F451-K492 HydrophobicContact CE2-CB 3.78Å; F451-K492 HydrophobicContact CE2-CD 4.13Å; F451-K492 HydrophobicContact CZ-CB 3.42Å; F451-K492 VanDerWaalsContact CZ-CB 3.42Å; F451-V496 HydrophobicContact CE1-CG2 3.88Å; F451-F502 HydrophobicContact CB-CD2 4.07Å; F451-F502 HydrophobicContact CD1-CB 3.84Å; F451-F502 HydrophobicContact CD1-CD2 4.02Å; F451-F502 HydrophobicContact CD1-CG 4.06Å; F451-F502 HydrophobicContact CE1-CB 4.33Å; F451-F502 VanDerWaalsContact O-CE2 3.25Å; F451-F502 WeakPolarHBondContact O-CE2 3.26Å
452	G	88.3	Confident	84	Confident	0 Å²	0	52 Å²	52	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.6	169.7	-173.9	0	0	0	0	0	112.4	S448 R465 G467 L505	S448-G452 WeakPolarHBondContact O-CA 3.33Å; S448-G452 PolarHBondContact O-N 3.36Å; S448-G452 VanDerWaalsContact O-N 3.09Å; G452-R465 CarbonylContact C-O 3.56Å; G452-R465 WeakPolarHBondContact CA-O 3.31Å; G452-G467 VanDerWaalsContact N-CA 3.3Å; G452-L505 WeakPolarHBondContact O-CB 3.31Å; G452-L505 PolarHBondContact O-N 2.87Å
453	H	88.8	Confident	83.8	Confident	16 Å²	16	50.8 Å²	50.8	7%	0.074	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.6	179.6	62.5	-96	0	0	0	112	S448 A457 F458 A463 Q464 R465 L505	S448-H453 PolarHBondContact OG-CE1 2.8Å; S448-H453 PolarHBondContact OG-ND1 2.67Å; H453-A457 HydrophobicContact CB-CB 3.99Å; H453-F458 HydrophobicContact CB-CE1 4.28Å; H453-F458 AromaticContact CG-CE1 3.91Å; H453-F458 AromaticContact ND1-CE1 3.99Å; H453-A463 PolarHBondContact CD2-O 3.33Å; H453-A463 VanDerWaalsContact CD2-O 3.3Å; H453-A463 PolarHBondContact NE2-O 3.09Å; H453-A463 VanDerWaalsContact NE2-O 3.13Å; H453-Q464 WeakPolarHBondContact O-CA 3.46Å; H453-R465 WeakPolarHBondContact CE1-CB 3.36Å; H453-R465 PolarHBondContact N-O 3.4Å; H453-R465 PolarHBondContact O-N 2.85Å; H453-L505 HydrophobicContact CB-CB 3.82Å
454	E	89	Confident	83.8	Confident	46 Å²	46	54.2 Å²	54.2	22%	0.215	33%	0.334	C	S	.	.			trans	-82.3	159.1	167.6	-70.6	-60.1	151.4	0	0	111.3	G456 A457 Q464 R504 L505	E454-G456 PolarHBondContact O-N 3.32Å; E454-A457 VanDerWaalsContact O-CB 3.3Å; E454-A457 WeakPolarHBondContact O-CB 3.45Å; E454-A457 PolarHBondContact O-N 3.43Å; E454-A457 VanDerWaalsContact O-N 3.13Å; E454-Q464 VanDerWaalsContact CD-NE2 3.3Å; E454-Q464 PolarHBondContact OE1-NE2 2.87Å; E454-Q464 PolarHBondContact OE2-NE2 3.39Å; E454-R504 HydrophobicContact CG-CB 4.44Å; E454-R504 VanDerWaalsContact OE1-CD 3.25Å; E454-R504 WeakPolarHBondContact OE1-CD 3.42Å; E454-R504 IonicContact OE1-CZ 3.35Å; E454-R504 IonicContact OE1-NE 2.64Å; E454-R504 IonicContact OE1-NH1 3.92Å; E454-R504 PolarHBondContact OE1-NH1 2.91Å; E454-L505 PolarHBondContact N-O 3.29Å
455	R	85.9	Confident	83.9	Confident	198 Å²	198	58.3 Å²	58.3	75%	0.747	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	124.2	175.2	-175.9	177	71.4	142.9	2.3	109.7	S462	R455-S462 WeakPolarHBondContact CD-O 3.01Å; R455-S462 WeakPolarHBondContact CG-O 3.24Å
456	G	82.6	Confident	83.9	Confident	63 Å²	63	57.7 Å²	57.7	65%	0.649	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	9.5	-179.3	0	0	0	0	0	115.7	E454 F458 A461	E454-G456 PolarHBondContact O-N 3.32Å; G456-F458 VanDerWaalsContact C-N 3.3Å; G456-F458 PolarHBondContact O-N 2.84Å; G456-A461 PolarHBondContact N-O 3.16Å
457	A	80.7	Confident	83.9	Confident	34 Å²	34	57.7 Å²	57.7	28%	0.281	33%	0.331	S	S	.	.	S	Bend	trans	-63.6	-29.8	178.7	0	0	0	0	0	114.5	H453 E454 L505	H453-A457 HydrophobicContact CB-CB 3.99Å; E454-A457 VanDerWaalsContact O-CB 3.3Å; E454-A457 WeakPolarHBondContact O-CB 3.45Å; E454-A457 PolarHBondContact O-N 3.43Å; E454-A457 VanDerWaalsContact O-N 3.13Å; A457-L505 HydrophobicContact CB-CB 4.14Å; A457-L505 VanDerWaalsContact CB-O 3.22Å; A457-L505 WeakPolarHBondContact CB-O 3.36Å
458	F	80.8	Confident	83.8	Confident	89 Å²	89	59.2 Å²	59.2	39%	0.39	34%	0.335	S	S	.	.	S	Bend	trans	-149.7	168.3	175	61.2	-88.6	0	0	0	110.6	H453 G456 G460 A461	H453-F458 HydrophobicContact CB-CE1 4.28Å; H453-F458 AromaticContact CG-CE1 3.91Å; H453-F458 AromaticContact ND1-CE1 3.99Å; G456-F458 VanDerWaalsContact C-N 3.3Å; G456-F458 PolarHBondContact O-N 2.84Å; F458-G460 PolarHBondContact O-N 3.4Å; F458-A461 HydrophobicContact CD1-CB 3.89Å; F458-A461 HydrophobicContact CD2-CB 4.38Å; F458-A461 HydrophobicContact CE1-CB 3.78Å; F458-A461 HydrophobicContact CE2-CB 4.28Å; F458-A461 HydrophobicContact CG-CB 4.18Å; F458-A461 HydrophobicContact CZ-CB 3.98Å; F458-A461 WeakPolarHBondContact O-CB 3.18Å; F458-A461 PolarHBondContact O-N 2.84Å
459	T	75.1	Confident	84	Confident	146 Å²	146	59 Å²	59	90%	0.896	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	107.7	177.3	52.5	0	0	0	0	110.6
460	G	77	Confident	83.9	Confident	65 Å²	65	61 Å²	61	67%	0.67	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.2	-4.3	-176.5	0	0	0	0	0	115.5	F458 S462	F458-G460 PolarHBondContact O-N 3.4Å; G460-S462 VanDerWaalsContact C-N 3.29Å; G460-S462 PolarHBondContact O-N 3.35Å
461	A	77.8	Confident	83.7	Confident	7 Å²	7	64.6 Å²	64.6	6%	0.058	36%	0.361	C	S	.	.			trans	-76.1	70.7	177	0	0	0	0	0	112.6	G456 F458 A463	G456-A461 PolarHBondContact N-O 3.16Å; F458-A461 HydrophobicContact CD1-CB 3.89Å; F458-A461 HydrophobicContact CD2-CB 4.38Å; F458-A461 HydrophobicContact CE1-CB 3.78Å; F458-A461 HydrophobicContact CE2-CB 4.28Å; F458-A461 HydrophobicContact CG-CB 4.18Å; F458-A461 HydrophobicContact CZ-CB 3.98Å; F458-A461 WeakPolarHBondContact O-CB 3.18Å; F458-A461 PolarHBondContact O-N 2.84Å; A461-A463 VanDerWaalsContact C-N 3.33Å; A461-A463 PolarHBondContact O-N 3.4Å
462	S	75.8	Confident	83.5	Confident	107 Å²	107	64.4 Å²	64.4	75%	0.748	36%	0.36	S	S	*	.			trans	-70	-25.5	-175.9	-58.9	0	0	0	0	114.4	R455 G460	R455-S462 WeakPolarHBondContact CD-O 3.01Å; R455-S462 WeakPolarHBondContact CG-O 3.24Å; G460-S462 VanDerWaalsContact C-N 3.29Å; G460-S462 PolarHBondContact O-N 3.35Å
463	A	78.6	Confident	83.5	Confident	62 Å²	62	66.7 Å²	66.7	51%	0.512	37%	0.373	S	S	.	.	S	Bend	trans	-135	160	-178.1	0	0	0	0	0	110.7	H453 A461	H453-A463 PolarHBondContact CD2-O 3.33Å; H453-A463 VanDerWaalsContact CD2-O 3.3Å; H453-A463 PolarHBondContact NE2-O 3.09Å; H453-A463 VanDerWaalsContact NE2-O 3.13Å; A461-A463 VanDerWaalsContact C-N 3.33Å; A461-A463 PolarHBondContact O-N 3.4Å
464	Q	81.8	Confident	83.4	Confident	108 Å²	108	71.6 Å²	71.6	51%	0.505	39%	0.394	S	S	.	.			trans	-72.8	137.5	170.2	-177.5	-177.3	33.8	0	0	109.6	H453 E454	H453-Q464 WeakPolarHBondContact O-CA 3.46Å; E454-Q464 VanDerWaalsContact CD-NE2 3.3Å; E454-Q464 PolarHBondContact OE1-NE2 2.87Å; E454-Q464 PolarHBondContact OE2-NE2 3.39Å
465	R	83.3	Confident	83.4	Confident	135 Å²	135	69.5 Å²	69.5	51%	0.509	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.8	175.5	-171.6	172.2	169.9	154	-9.4	110.4	D449 G452 H453	D449-R465 IonicContact OD1-CZ 3.92Å; D449-R465 IonicContact OD1-NE 2.6Å; D449-R465 IonicContact OD1-NH2 2.79Å; D449-R465 PolarHBondContact OD1-NH2 2.8Å; G452-R465 CarbonylContact C-O 3.56Å; G452-R465 WeakPolarHBondContact CA-O 3.31Å; H453-R465 WeakPolarHBondContact CE1-CB 3.36Å; H453-R465 PolarHBondContact N-O 3.4Å; H453-R465 PolarHBondContact O-N 2.85Å
466	I	84.4	Confident	83.6	Confident	81 Å²	81	60 Å²	60	42%	0.415	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134	177.3	-59.8	176	0	0	0	109	E470 L471	I466-E470 HydrophobicContact CG2-CB 3.62Å; I466-E470 HydrophobicContact CG2-CG 3.84Å; I466-L471 HydrophobicContact CG2-CD2 4.03Å; I466-L471 HydrophobicContact CG2-CG 3.86Å
467	G	86	Confident	84.1	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.			trans	-78.3	164.3	178.3	0	0	0	0	0	113.8	D449 L450 G452 F469 E470 L471	D449-G467 CarbonylContact O-C 3.6Å; D449-G467 WeakPolarHBondContact O-CA 3.12Å; L450-G467 CarbonylContact O-C 3.54Å; L450-G467 WeakPolarHBondContact O-CA 3.36Å; G452-G467 VanDerWaalsContact N-CA 3.3Å; G467-F469 VanDerWaalsContact C-N 3.31Å; G467-F469 PolarHBondContact O-N 2.94Å; G467-E470 PolarHBondContact O-N 2.89Å; G467-L471 WeakPolarHBondContact O-CG 3.48Å; G467-L471 PolarHBondContact O-N 3.42Å
468	R	88.2	Confident	84.7	Confident	65 Å²	65	55.6 Å²	55.6	25%	0.245	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-35	175.7	-63.8	-36.3	-179.4	91.2	8.6	113	V434 K435 M436 D449 L450 L471 A472 L477	V434-R468 HydrophobicContact CG1-CB 3.99Å; V434-R468 HydrophobicContact CG1-CG 4.24Å; K435-R468 PolarHBondContact O-NH1 3.3Å; M436-R468 HydrophobicContact SD-CB 4.36Å; M436-R468 HydrophobicContact SD-CG 3.66Å; D449-R468 VanDerWaalsContact O-CG 3.31Å; D449-R468 WeakPolarHBondContact O-CG 3.45Å; D449-R468 PolarHBondContact O-N 3.32Å; D449-R468 IonicContact OD1-NE 3.72Å; D449-R468 PolarHBondContact OD1-NE 3.36Å; D449-R468 IonicContact OD1-NH2 3.2Å; D449-R468 IonicContact OD2-CZ 3.07Å; D449-R468 IonicContact OD2-NE 2.76Å; D449-R468 PolarHBondContact OD2-NE 3.39Å; D449-R468 IonicContact OD2-NH2 3.95Å; D449-R468 PolarHBondContact OD2-NH2 3.26Å; L450-R468 PolarHBondContact O-N 2.84Å; R468-L471 PolarHBondContact O-N 2.67Å; R468-A472 WeakPolarHBondContact O-CB 3.43Å; R468-A472 PolarHBondContact O-N 3.48Å; R468-L477 HydrophobicContact CB-CD1 4.03Å
469	F	90.1	Very high	85.3	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-47.8	174.8	-83.4	-71.6	0	0	0	111.5	L450 F451 G467 L471 A472 D473 L477 L493 V496 F502 T513 V515	L450-F469 HydrophobicContact CB-CD2 4.45Å; L450-F469 HydrophobicContact CB-CE2 4.47Å; L450-F469 HydrophobicContact CD2-CD2 4.47Å; L450-F469 HydrophobicContact CD2-CE2 4.03Å; L450-F469 PolarHBondContact O-N 2.93Å; L450-F469 VanDerWaalsContact O-N 3.1Å; F451-F469 AromaticContact CD1-CD2 4Å; F451-F469 HydrophobicContact CD1-CD2 4Å; F451-F469 HydrophobicContact CD1-CE2 4.39Å; F451-F469 AromaticContact CE1-CD2 3.92Å; F451-F469 HydrophobicContact CE1-CD2 3.92Å; F451-F469 AromaticContact CE1-CE2 3.85Å; F451-F469 HydrophobicContact CE1-CE2 3.85Å; F451-F469 HydrophobicContact CZ-CE2 4.37Å; G467-F469 VanDerWaalsContact C-N 3.31Å; G467-F469 PolarHBondContact O-N 2.94Å; F469-L471 VanDerWaalsContact C-N 3.33Å; F469-L471 PolarHBondContact O-N 3.41Å; F469-A472 CarbonylContact O-C 3.57Å; F469-A472 PolarHBondContact O-N 2.85Å; F469-A472 VanDerWaalsContact O-N 3.08Å; F469-D473 PolarHBondContact O-N 3.08Å; F469-L477 HydrophobicContact CD1-CD2 3.73Å; F469-L477 HydrophobicContact CD2-CD2 4.36Å; F469-L477 HydrophobicContact CE1-CD2 3.39Å; F469-L477 HydrophobicContact CE2-CD2 4.08Å; F469-L477 HydrophobicContact CG-CD2 4.19Å; F469-L477 HydrophobicContact CZ-CD2 3.58Å; F469-L493 HydrophobicContact CE2-CD1 4.24Å; F469-L493 HydrophobicContact CZ-CD1 3.57Å; F469-V496 HydrophobicContact CD1-CG1 3.7Å; F469-V496 HydrophobicContact CE1-CB 4.39Å; F469-V496 HydrophobicContact CE1-CG1 3.54Å; F469-V496 HydrophobicContact CG-CG1 4.35Å; F469-V496 HydrophobicContact CZ-CB 4.45Å; F469-V496 HydrophobicContact CZ-CG1 4.07Å; F469-F502 HydrophobicContact CB-CD1 4.1Å; F469-F502 HydrophobicContact CB-CE1 3.74Å; F469-F502 HydrophobicContact CB-CZ 4.12Å; F469-T513 PolarHBondContact O-OG1 3.42Å; F469-V515 HydrophobicContact CD1-CB 4.34Å; F469-V515 HydrophobicContact CD1-CG1 4.39Å; F469-V515 HydrophobicContact CD1-CG2 4.2Å; F469-V515 WeakPolarHBondContact O-CG2 3.4Å
470	E	87.7	Confident	86.2	Confident	53 Å²	53	45.2 Å²	45.2	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-39.4	176.8	-159.2	175.9	157.1	0	0	112.1	I466 G467 A472 D473 F502 R504	I466-E470 HydrophobicContact CG2-CB 3.62Å; I466-E470 HydrophobicContact CG2-CG 3.84Å; G467-E470 PolarHBondContact O-N 2.89Å; E470-A472 PolarHBondContact O-N 3.37Å; E470-D473 WeakPolarHBondContact O-CB 3.2Å; E470-D473 PolarHBondContact O-N 3.44Å; E470-F502 HydrophobicContact CB-CZ 3.92Å; E470-R504 IonicContact OE1-CZ 3.56Å; E470-R504 IonicContact OE1-NH2 2.9Å; E470-R504 PolarHBondContact OE1-NH2 3.45Å; E470-R504 IonicContact OE2-CZ 3.92Å; E470-R504 IonicContact OE2-NE 3.66Å; E470-R504 PolarHBondContact OE2-NE 3.28Å; E470-R504 VanDerWaalsContact OE2-NE 3.14Å; E470-R504 IonicContact OE2-NH2 3.33Å; E470-R504 PolarHBondContact OE2-NH2 3.21Å
471	L	85.1	Confident	86.9	Confident	75 Å²	75	42.9 Å²	42.9	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-66.9	-25.8	175	-71.8	170.9	0	0	0	113.2	V434 I466 G467 R468 F469	V434-L471 HydrophobicContact CG2-CB 4.29Å; I466-L471 HydrophobicContact CG2-CD2 4.03Å; I466-L471 HydrophobicContact CG2-CG 3.86Å; G467-L471 WeakPolarHBondContact O-CG 3.48Å; G467-L471 PolarHBondContact O-N 3.42Å; R468-L471 PolarHBondContact O-N 2.67Å; F469-L471 VanDerWaalsContact C-N 3.33Å; F469-L471 PolarHBondContact O-N 3.41Å
472	A	87.5	Confident	87.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	5.7	-178.7	0	0	0	0	0	112.9	V434 R468 F469 E470 K474 S475 L477 V515	V434-A472 HydrophobicContact CB-CB 3.9Å; V434-A472 HydrophobicContact CG2-CB 3.71Å; R468-A472 WeakPolarHBondContact O-CB 3.43Å; R468-A472 PolarHBondContact O-N 3.48Å; F469-A472 CarbonylContact O-C 3.57Å; F469-A472 PolarHBondContact O-N 2.85Å; F469-A472 VanDerWaalsContact O-N 3.08Å; E470-A472 PolarHBondContact O-N 3.37Å; A472-K474 PolarHBondContact O-N 3.33Å; A472-S475 CarbonylContact O-C 3.53Å; A472-S475 VanDerWaalsContact O-CA 3.31Å; A472-S475 WeakPolarHBondContact O-CA 3.15Å; A472-S475 VanDerWaalsContact O-CB 3.28Å; A472-S475 WeakPolarHBondContact O-CB 3.25Å; A472-S475 PolarHBondContact O-N 2.96Å; A472-L477 HydrophobicContact CB-CB 4.04Å; A472-L477 HydrophobicContact CB-CD1 4.42Å; A472-V515 HydrophobicContact CB-CG1 3.83Å; A472-V515 HydrophobicContact CB-CG2 4.03Å
473	D	87.5	Confident	88.2	Confident	49 Å²	49	37.6 Å²	37.6	26%	0.262	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	128.4	-179.1	-172.4	55.2	0	0	0	111.7	R431 F469 E470 S475 T513 D514	R431-D473 PolarHBondContact NH1-O 2.86Å; F469-D473 PolarHBondContact O-N 3.08Å; E470-D473 WeakPolarHBondContact O-CB 3.2Å; E470-D473 PolarHBondContact O-N 3.44Å; D473-S475 PolarHBondContact O-N 3.47Å; D473-T513 WeakPolarHBondContact OD1-CA 3.46Å; D473-T513 PolarHBondContact OD1-OG1 3.22Å; D473-D514 PolarHBondContact OD1-N 2.68Å
474	K	86.3	Confident	88.8	Confident	118 Å²	118	37.5 Å²	37.5	51%	0.513	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	23.7	-170.6	-37.5	-179.8	179.6	-176.8	0	114.6	A472 D514	A472-K474 PolarHBondContact O-N 3.33Å; K474-D514 WeakPolarHBondContact CA-O 3.2Å; K474-D514 PolarHBondContact N-O 2.99Å
475	S	88.8	Confident	89.2	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.014	15%	0.151	C	C	.	.	S	Bend	trans	-127.2	-166.7	175.9	-166.2	0	0	0	0	110	R428 R431 R432 A472 D473 R516	R428-S475 WeakPolarHBondContact CD-O 3.49Å; R428-S475 PolarHBondContact NH1-O 3.21Å; R431-S475 PolarHBondContact O-OG 3.47Å; R432-S475 PolarHBondContact O-OG 2.98Å; A472-S475 CarbonylContact O-C 3.53Å; A472-S475 VanDerWaalsContact O-CA 3.31Å; A472-S475 WeakPolarHBondContact O-CA 3.15Å; A472-S475 VanDerWaalsContact O-CB 3.28Å; A472-S475 WeakPolarHBondContact O-CB 3.25Å; A472-S475 PolarHBondContact O-N 2.96Å; D473-S475 PolarHBondContact O-N 3.47Å; S475-R516 PolarHBondContact O-N 2.69Å
476	S	91.2	Very high	89.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.5	172.6	-50.3	0	0	0	0	111.1	H423 M433 V434 R516	H423-S476 VanDerWaalsContact ND1-CB 3.34Å; H423-S476 WeakPolarHBondContact ND1-CB 3.33Å; H423-S476 PolarHBondContact ND1-OG 2.84Å; M433-S476 WeakPolarHBondContact CA-O 3.24Å; V434-S476 PolarHBondContact N-O 2.88Å; S476-R516 CarbonylContact C-O 3.57Å; S476-R516 WeakPolarHBondContact CA-O 3.41Å
477	L	91.9	Very high	89.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.8	171.7	179.5	67.6	0	0	0	109.2	V434 R468 F469 A472 L479 V515 R516 L517 I518	V434-L477 HydrophobicContact CB-CD1 3.89Å; V434-L477 HydrophobicContact CG1-CD1 3.72Å; V434-L477 CarbonylContact O-C 3.44Å; V434-L477 WeakPolarHBondContact O-CA 3.11Å; R468-L477 HydrophobicContact CB-CD1 4.03Å; F469-L477 HydrophobicContact CD1-CD2 3.73Å; F469-L477 HydrophobicContact CD2-CD2 4.36Å; F469-L477 HydrophobicContact CE1-CD2 3.39Å; F469-L477 HydrophobicContact CE2-CD2 4.08Å; F469-L477 HydrophobicContact CG-CD2 4.19Å; F469-L477 HydrophobicContact CZ-CD2 3.58Å; A472-L477 HydrophobicContact CB-CB 4.04Å; A472-L477 HydrophobicContact CB-CD1 4.42Å; L477-L479 HydrophobicContact CD2-CD2 4.1Å; L477-L479 HydrophobicContact CD2-CG 4.42Å; L477-L479 HydrophobicContact CG-CD2 4.15Å; L477-L479 HydrophobicContact CG-CG 4.41Å; L477-V515 HydrophobicContact CB-CG1 3.43Å; L477-V515 VanDerWaalsContact CB-CG1 3.43Å; L477-R516 PolarHBondContact N-O 3.28Å; L477-L517 HydrophobicContact CB-CD1 4.25Å; L477-L517 HydrophobicContact CD2-CD1 4.04Å; L477-L517 HydrophobicContact CG-CD1 4.23Å; L477-I518 PolarHBondContact O-N 2.64Å
478	F	94.6	Very high	89.9	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.9	172.9	177.7	-119	0	0	0	110.5	E416 A419 M433 V434 K435 M436 D480 I518 A520	E416-F478 HydrophobicContact CB-CE1 4.13Å; E416-F478 HydrophobicContact CB-CZ 4.48Å; E416-F478 HydrophobicContact CG-CE1 4.18Å; A419-F478 HydrophobicContact CB-CD1 4.48Å; A419-F478 HydrophobicContact CB-CD2 3.29Å; A419-F478 HydrophobicContact CB-CE2 3.43Å; A419-F478 VanDerWaalsContact CB-CE2 3.43Å; A419-F478 HydrophobicContact CB-CG 3.87Å; A419-F478 HydrophobicContact CB-CZ 4.11Å; M433-F478 HydrophobicContact CE-CB 4.19Å; M433-F478 HydrophobicContact CG-CB 4.23Å; M433-F478 HydrophobicContact SD-CB 3.87Å; V434-F478 PolarHBondContact O-N 3.45Å; K435-F478 HydrophobicContact CB-CB 4.38Å; K435-F478 HydrophobicContact CB-CD1 4.16Å; M436-F478 PolarHBondContact N-O 2.72Å; F478-D480 HydrophobicContact CE1-CB 3.71Å; F478-D480 HydrophobicContact CZ-CB 3.91Å; F478-I518 CarbonylContact C-O 3.4Å; F478-I518 VanDerWaalsContact CA-O 3.27Å; F478-I518 WeakPolarHBondContact CA-O 3.41Å; F478-I518 HydrophobicContact CD2-CB 4.29Å; F478-I518 HydrophobicContact CD2-CG2 3.99Å; F478-I518 WeakPolarHBondContact CD2-O 2.79Å; F478-I518 HydrophobicContact CE2-CG2 4.5Å; F478-A520 HydrophobicContact CE2-CB 3.58Å; F478-A520 HydrophobicContact CZ-CB 3.76Å
479	L	92.7	Very high	90	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	106.9	172.1	-63.4	-175.9	0	0	0	109.6	M436 L450 L477 M485 L493 L517 I518 A519 A520	M436-L479 HydrophobicContact CB-CD2 4.09Å; L450-L479 HydrophobicContact CD2-CD2 3.91Å; L477-L479 HydrophobicContact CD2-CD2 4.1Å; L477-L479 HydrophobicContact CD2-CG 4.42Å; L477-L479 HydrophobicContact CG-CD2 4.15Å; L477-L479 HydrophobicContact CG-CG 4.41Å; L479-M485 HydrophobicContact CD1-CE 4.34Å; L479-L493 HydrophobicContact CD1-CD1 4.2Å; L479-L493 HydrophobicContact CD1-CD2 4.22Å; L479-L517 HydrophobicContact CD1-CD1 3.72Å; L479-L517 HydrophobicContact CD1-CD2 4.42Å; L479-L517 HydrophobicContact CG-CD1 3.84Å; L479-I518 PolarHBondContact N-O 3.26Å; L479-A519 CarbonylContact O-C 3.49Å; L479-A519 WeakPolarHBondContact O-CA 2.92Å; L479-A520 PolarHBondContact O-N 2.71Å
480	D	93.2	Very high	90.1	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.9	172	-158	16.1	0	0	0	110.7	M436 N437 C438 F478 V482	M436-D480 PolarHBondContact O-N 2.94Å; N437-D480 HydrophobicContact CB-CB 4.32Å; C438-D480 PolarHBondContact N-O 3.38Å; C438-D480 PolarHBondContact SG-O 3.23Å; C438-D480 VanDerWaalsContact SG-O 3.4Å; F478-D480 HydrophobicContact CE1-CB 3.71Å; F478-D480 HydrophobicContact CZ-CB 3.91Å; D480-V482 PolarHBondContact O-N 3.21Å
481	E	93	Very high	90.3	Very high	17 Å²	17	33 Å²	33	8%	0.079	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	51.7	-176.9	-57.9	-62.1	175.5	0	0	114.7	K415 C438 A439 G483 D484 A520 T521 N522	K415-E481 IonicContact NZ-OE1 3.4Å; C438-E481 WeakPolarHBondContact CB-O 3.48Å; A439-E481 HydrophobicContact CB-CB 4.1Å; E481-G483 PolarHBondContact O-N 3.27Å; E481-G483 VanDerWaalsContact O-N 3.08Å; E481-D484 PolarHBondContact O-N 3.43Å; E481-A520 CarbonylContact C-O 3.59Å; E481-A520 VanDerWaalsContact CA-O 3.28Å; E481-A520 WeakPolarHBondContact CA-O 3.21Å; E481-A520 PolarHBondContact N-O 3.01Å; E481-T521 WeakPolarHBondContact OE2-CA 3.25Å; E481-N522 VanDerWaalsContact CD-ND2 3.27Å; E481-N522 PolarHBondContact OE1-ND2 3.33Å; E481-N522 VanDerWaalsContact OE2-CG 3.26Å; E481-N522 PolarHBondContact OE2-N 3.46Å; E481-N522 PolarHBondContact OE2-ND2 2.96Å
482	V	91.5	Very high	90.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-58.5	-23.3	178.8	72.3	0	0	0	0	113.6	L406 D480 D484 M485 L493 A519 A520 T521 L525 L542	L406-V482 HydrophobicContact CD1-CG1 4.49Å; D480-V482 PolarHBondContact O-N 3.21Å; V482-D484 PolarHBondContact O-N 3.2Å; V482-M485 VanDerWaalsContact O-CB 3.26Å; V482-M485 WeakPolarHBondContact O-CB 3.34Å; V482-M485 PolarHBondContact O-N 3.13Å; V482-M485 VanDerWaalsContact O-N 3.17Å; V482-L493 HydrophobicContact CG2-CD2 4.39Å; V482-A519 HydrophobicContact CB-CB 4.4Å; V482-A519 HydrophobicContact CG1-CB 4.13Å; V482-A520 PolarHBondContact N-O 2.99Å; V482-T521 HydrophobicContact CG1-CG2 4.39Å; V482-L525 HydrophobicContact CG1-CD1 4.43Å; V482-L542 HydrophobicContact CG1-CD1 4.35Å; V482-L542 HydrophobicContact CG2-CD1 4Å
483	G	89.7	Confident	90.8	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.3	-23.9	174	0	0	0	0	0	113.5	E481 M485 M528	E481-G483 PolarHBondContact O-N 3.27Å; E481-G483 VanDerWaalsContact O-N 3.08Å; G483-M485 VanDerWaalsContact C-N 3.29Å; G483-M485 PolarHBondContact O-N 3.02Å; G483-M528 WeakPolarHBondContact O-CE 3.34Å
484	D	89.4	Confident	91	Very high	61 Å²	61	32.1 Å²	32.1	33%	0.326	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-91.2	9.7	178.4	-64.9	-30	0	0	0	113	A439 E481 V482 P486 R523	A439-D484 HydrophobicContact CB-CB 4.24Å; E481-D484 PolarHBondContact O-N 3.43Å; V482-D484 PolarHBondContact O-N 3.2Å; D484-P486 WeakPolarHBondContact O-CD 3.44Å; D484-R523 VanDerWaalsContact OD1-CD 3.23Å; D484-R523 WeakPolarHBondContact OD1-CD 3.34Å; D484-R523 IonicContact OD1-CZ 2.92Å; D484-R523 IonicContact OD1-NH1 3.74Å; D484-R523 PolarHBondContact OD1-NH1 3.48Å; D484-R523 VanDerWaalsContact OD1-NH1 3.11Å
485	M	90.4	Very high	91.2	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.03	15%	0.152	C	C	.	.	S	Bend	trans	-70.9	126.5	176.7	-173.2	170.8	-75	0	0	111.4	L446 L450 L479 V482 G483 L489 Q490 L493	L446-M485 HydrophobicContact CD2-CG 4.47Å; L450-M485 HydrophobicContact CD1-CE 4.06Å; L479-M485 HydrophobicContact CD1-CE 4.34Å; V482-M485 VanDerWaalsContact O-CB 3.26Å; V482-M485 WeakPolarHBondContact O-CB 3.34Å; V482-M485 PolarHBondContact O-N 3.13Å; V482-M485 VanDerWaalsContact O-N 3.17Å; G483-M485 VanDerWaalsContact C-N 3.29Å; G483-M485 PolarHBondContact O-N 3.02Å; M485-L489 HydrophobicContact CG-CB 4.11Å; M485-L489 HydrophobicContact SD-CB 4.32Å; M485-Q490 HydrophobicContact CG-CG 4.32Å; M485-Q490 PolarHBondContact O-NE2 3.29Å; M485-Q490 VanDerWaalsContact O-NE2 3.1Å; M485-Q490 HydrophobicContact SD-CG 4.46Å; M485-L493 HydrophobicContact CE-CD2 3.99Å; M485-L493 HydrophobicContact SD-CB 4.31Å; M485-L493 HydrophobicContact SD-CD2 3.75Å
486	P	90	Very high	91.3	Very high	38 Å²	38	30.9 Å²	30.9	25%	0.247	15%	0.154	C	C	.	.			trans	-54.6	140.6	176	-25.3	32.9	0	0	0	113.1	A443 D484 E488 L489 Q490	A443-P486 HydrophobicContact CB-CB 4.08Å; A443-P486 HydrophobicContact CB-CG 3.66Å; D484-P486 WeakPolarHBondContact O-CD 3.44Å; P486-E488 PolarHBondContact O-N 2.68Å; P486-E488 VanDerWaalsContact O-N 3.08Å; P486-L489 HydrophobicContact CG-CD1 4.29Å; P486-L489 PolarHBondContact O-N 2.72Å; P486-Q490 PolarHBondContact O-N 2.63Å
487	L	89.3	Confident	91.3	Very high	92 Å²	92	31.9 Å²	31.9	48%	0.482	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-31.8	-179.8	-84	170	0	0	0	113.7	L489 P491 E533	L487-L489 VanDerWaalsContact C-N 3.31Å; L487-L489 PolarHBondContact O-N 2.75Å; L487-P491 VanDerWaalsContact O-CD 3.23Å; L487-P491 WeakPolarHBondContact O-CD 3.47Å; L487-E533 WeakPolarHBondContact CD2-O 3.46Å
488	E	89.1	Confident	91.2	Very high	159 Å²	159	36.6 Å²	36.6	74%	0.743	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.6	-179.3	-61.6	178	174.7	0	0	113.3	P486	P486-E488 PolarHBondContact O-N 2.68Å; P486-E488 VanDerWaalsContact O-N 3.08Å
489	L	90.9	Very high	91.1	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-22.2	-177.9	-61.2	-179.3	0	0	0	113	L446 E447 M485 P486 L487 K492 L493	L446-L489 HydrophobicContact CB-CD1 4.09Å; L446-L489 HydrophobicContact CD2-CD1 3.78Å; L446-L489 HydrophobicContact CG-CD1 4.24Å; E447-L489 HydrophobicContact CB-CD1 4.21Å; E447-L489 HydrophobicContact CB-CD2 3.62Å; E447-L489 HydrophobicContact CG-CD2 3.48Å; E447-L489 VanDerWaalsContact CG-CD2 3.48Å; M485-L489 HydrophobicContact CG-CB 4.11Å; M485-L489 HydrophobicContact SD-CB 4.32Å; P486-L489 HydrophobicContact CG-CD1 4.29Å; P486-L489 PolarHBondContact O-N 2.72Å; L487-L489 VanDerWaalsContact C-N 3.31Å; L487-L489 PolarHBondContact O-N 2.75Å; L489-K492 PolarHBondContact O-N 3.34Å; L489-L493 PolarHBondContact O-N 3.19Å
490	Q	93	Very high	91	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-41.7	178.7	-66.2	178.3	24.6	0	0	113.3	M485 P486 K492 L493 L494 E533 F534 R535 L538	M485-Q490 HydrophobicContact CG-CG 4.32Å; M485-Q490 PolarHBondContact O-NE2 3.29Å; M485-Q490 VanDerWaalsContact O-NE2 3.1Å; M485-Q490 HydrophobicContact SD-CG 4.46Å; P486-Q490 PolarHBondContact O-N 2.63Å; Q490-K492 VanDerWaalsContact C-N 3.34Å; Q490-K492 PolarHBondContact O-N 3.46Å; Q490-L493 PolarHBondContact O-N 2.88Å; Q490-L494 WeakPolarHBondContact O-CB 3.21Å; Q490-L494 PolarHBondContact O-N 3.03Å; Q490-E533 PolarHBondContact NE2-O 3.46Å; Q490-F534 HydrophobicContact CG-CE2 4.48Å; Q490-R535 HydrophobicContact CB-CG 4.37Å; Q490-L538 HydrophobicContact CB-CD2 3.62Å; Q490-L538 HydrophobicContact CG-CD2 3.8Å
491	P	91.6	Very high	91	Very high	51 Å²	51	47.4 Å²	47.4	33%	0.331	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-35.5	174.5	-23.2	33.5	0	0	0	113.9	L487 L494 R495	L487-P491 VanDerWaalsContact O-CD 3.23Å; L487-P491 WeakPolarHBondContact O-CD 3.47Å; P491-L494 PolarHBondContact O-N 2.73Å; P491-R495 PolarHBondContact O-N 3.24Å
492	K	90.3	Very high	90.9	Very high	91 Å²	91	46.9 Å²	46.9	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-70.5	-40.9	178.3	-64	-168.3	175.1	-165.5	0	111	E447 F451 L489 Q490 L494 R495 V496	E447-K492 WeakPolarHBondContact OE1-CE 3.43Å; E447-K492 IonicContact OE1-NZ 2.77Å; E447-K492 PolarHBondContact OE1-NZ 3.35Å; F451-K492 HydrophobicContact CD2-CD 4.47Å; F451-K492 HydrophobicContact CE1-CB 4.12Å; F451-K492 HydrophobicContact CE2-CB 3.78Å; F451-K492 HydrophobicContact CE2-CD 4.13Å; F451-K492 HydrophobicContact CZ-CB 3.42Å; F451-K492 VanDerWaalsContact CZ-CB 3.42Å; L489-K492 PolarHBondContact O-N 3.34Å; Q490-K492 VanDerWaalsContact C-N 3.34Å; Q490-K492 PolarHBondContact O-N 3.46Å; K492-L494 VanDerWaalsContact C-N 3.32Å; K492-L494 PolarHBondContact O-N 2.85Å; K492-R495 PolarHBondContact O-N 2.91Å; K492-V496 PolarHBondContact O-N 3.21Å
493	L	92.1	Very high	90.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-42.2	172.4	-179.6	60.7	0	0	0	111.5	F469 L479 V482 M485 L489 Q490 R495 V496 L497 L517 L538	F469-L493 HydrophobicContact CE2-CD1 4.24Å; F469-L493 HydrophobicContact CZ-CD1 3.57Å; L479-L493 HydrophobicContact CD1-CD1 4.2Å; L479-L493 HydrophobicContact CD1-CD2 4.22Å; V482-L493 HydrophobicContact CG2-CD2 4.39Å; M485-L493 HydrophobicContact CE-CD2 3.99Å; M485-L493 HydrophobicContact SD-CB 4.31Å; M485-L493 HydrophobicContact SD-CD2 3.75Å; L489-L493 PolarHBondContact O-N 3.19Å; Q490-L493 PolarHBondContact O-N 2.88Å; L493-R495 PolarHBondContact O-N 3.09Å; L493-V496 PolarHBondContact O-N 2.99Å; L493-L497 HydrophobicContact CD1-CD1 4.44Å; L493-L497 HydrophobicContact CG-CD1 4.21Å; L493-L497 WeakPolarHBondContact O-CG 3.28Å; L493-L497 PolarHBondContact O-N 3.25Å; L493-L517 HydrophobicContact CD1-CD2 4.42Å; L493-L538 HydrophobicContact CB-CD1 4.5Å; L493-L538 HydrophobicContact CD2-CD1 4.07Å; L493-L538 HydrophobicContact CD2-CD2 4.17Å; L493-L538 HydrophobicContact CG-CD1 4.05Å
494	L	92.1	Very high	90.8	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-45	176.2	-179.2	64	0	0	0	111.8	Q490 P491 K492 V496 L497 Q498 D537 L538 R541	Q490-L494 WeakPolarHBondContact O-CB 3.21Å; Q490-L494 PolarHBondContact O-N 3.03Å; P491-L494 PolarHBondContact O-N 2.73Å; K492-L494 VanDerWaalsContact C-N 3.32Å; K492-L494 PolarHBondContact O-N 2.85Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 2.78Å; L494-L497 PolarHBondContact O-N 2.79Å; L494-L497 VanDerWaalsContact O-N 3.12Å; L494-Q498 HydrophobicContact CD1-CG 4.04Å; L494-Q498 HydrophobicContact CG-CG 4.37Å; L494-Q498 WeakPolarHBondContact O-CB 3.47Å; L494-Q498 WeakPolarHBondContact O-CG 3.45Å; L494-Q498 PolarHBondContact O-N 2.85Å; L494-D537 HydrophobicContact CD2-CB 4.08Å; L494-D537 VanDerWaalsContact CD2-CG 3.48Å; L494-D537 WeakPolarHBondContact CD2-OD2 3.27Å; L494-L538 HydrophobicContact CB-CD1 4.31Å; L494-L538 HydrophobicContact CD1-CD1 4.48Å; L494-R541 HydrophobicContact CD1-CB 4.44Å
495	R	90.5	Very high	90.7	Very high	87 Å²	87	50 Å²	50	33%	0.328	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-42.1	177.5	-172.4	173.5	176.7	-167.3	-7.9	111.7	P491 K492 L493 L497 Q498 E499 E501 E503	P491-R495 PolarHBondContact O-N 3.24Å; K492-R495 PolarHBondContact O-N 2.91Å; L493-R495 PolarHBondContact O-N 3.09Å; R495-L497 PolarHBondContact O-N 2.93Å; R495-Q498 PolarHBondContact O-N 2.99Å; R495-E499 WeakPolarHBondContact O-CB 3.32Å; R495-E499 PolarHBondContact O-N 3.37Å; R495-E501 IonicContact CZ-OE1 3.68Å; R495-E501 IonicContact NE-OE1 2.67Å; R495-E501 IonicContact NH2-OE1 2.77Å; R495-E501 PolarHBondContact NH2-OE1 2.92Å; R495-E503 IonicContact CZ-OE1 4Å; R495-E503 IonicContact NH1-OE1 3.03Å; R495-E503 PolarHBondContact NH1-OE1 3.15Å; R495-E503 IonicContact NH2-OE1 3.07Å; R495-E503 PolarHBondContact NH2-OE1 3.28Å
496	V	91.3	Very high	90.4	Very high	8 Å²	8	52.9 Å²	52.9	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-41.2	175.1	179.4	0	0	0	0	112.2	F451 F469 K492 L493 L494 Q498 Q500 E501 F502 T513	F451-V496 HydrophobicContact CE1-CG2 3.88Å; F469-V496 HydrophobicContact CD1-CG1 3.7Å; F469-V496 HydrophobicContact CE1-CB 4.39Å; F469-V496 HydrophobicContact CE1-CG1 3.54Å; F469-V496 HydrophobicContact CG-CG1 4.35Å; F469-V496 HydrophobicContact CZ-CB 4.45Å; F469-V496 HydrophobicContact CZ-CG1 4.07Å; K492-V496 PolarHBondContact O-N 3.21Å; L493-V496 PolarHBondContact O-N 2.99Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 2.78Å; V496-Q498 VanDerWaalsContact C-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.27Å; V496-Q500 WeakPolarHBondContact O-CA 3.3Å; V496-Q500 PolarHBondContact O-N 2.84Å; V496-E501 WeakPolarHBondContact CG2-O 3.36Å; V496-F502 HydrophobicContact CG2-CB 3.66Å; V496-F502 HydrophobicContact CG2-CD1 4.4Å; V496-F502 HydrophobicContact CG2-CG 4.4Å; V496-T513 HydrophobicContact CG1-CG2 4.34Å
497	L	90.3	Very high	90.2	Very high	21 Å²	21	52.2 Å²	52.2	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-73.5	-20.3	-179.3	-72.2	174.4	0	0	0	114.4	L493 L494 R495 L517 L538 R541 L542	L493-L497 HydrophobicContact CD1-CD1 4.44Å; L493-L497 HydrophobicContact CG-CD1 4.21Å; L493-L497 WeakPolarHBondContact O-CG 3.28Å; L493-L497 PolarHBondContact O-N 3.25Å; L494-L497 PolarHBondContact O-N 2.79Å; L494-L497 VanDerWaalsContact O-N 3.12Å; R495-L497 PolarHBondContact O-N 2.93Å; L497-L517 HydrophobicContact CD1-CD2 3.86Å; L497-L517 HydrophobicContact CD2-CB 3.92Å; L497-L517 HydrophobicContact CD2-CD2 3.68Å; L497-L517 HydrophobicContact CD2-CG 4.39Å; L497-L517 HydrophobicContact CG-CD2 4.21Å; L497-L538 HydrophobicContact CD1-CD1 3.9Å; L497-R541 HydrophobicContact CB-CG 3.92Å; L497-R541 HydrophobicContact CD1-CG 4.23Å; L497-R541 PolarHBondContact O-NE 3.28Å; L497-R541 PolarHBondContact O-NH2 3.02Å; L497-L542 HydrophobicContact CD1-CD2 3.75Å; L497-L542 HydrophobicContact CD1-CG 4.5Å
498	Q	90.3	Very high	90	Very high	98 Å²	98	55 Å²	55	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-94.8	-53.8	179.6	-73.1	178.8	-27.7	0	0	111.7	L494 R495 V496	L494-Q498 HydrophobicContact CD1-CG 4.04Å; L494-Q498 HydrophobicContact CG-CG 4.37Å; L494-Q498 WeakPolarHBondContact O-CB 3.47Å; L494-Q498 WeakPolarHBondContact O-CG 3.45Å; L494-Q498 PolarHBondContact O-N 2.85Å; R495-Q498 PolarHBondContact O-N 2.99Å; V496-Q498 VanDerWaalsContact C-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.27Å
499	E	92.1	Very high	89.9	Confident	114 Å²	114	54.2 Å²	54.2	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-102.2	-4.4	-169.1	-55.3	-59.1	150.5	0	0	112.8	R495 E501	R495-E499 WeakPolarHBondContact O-CB 3.32Å; R495-E499 PolarHBondContact O-N 3.37Å; E499-E501 HydrophobicContact CB-CG 3.63Å; E499-E501 PolarHBondContact O-N 3.39Å; E499-E501 VanDerWaalsContact O-N 3.16Å
500	Q	90.4	Very high	89.9	Confident	102 Å²	102	58 Å²	58	48%	0.477	30%	0.296	S	S	.	.	S	Bend	trans	56.3	28	-176.5	-66.6	-176.3	-18.1	0	0	113.4	V496 Q512 T513	V496-Q500 WeakPolarHBondContact O-CA 3.3Å; V496-Q500 PolarHBondContact O-N 2.84Å; Q500-Q512 CarbonylContact O-C 3.39Å; Q500-Q512 WeakPolarHBondContact O-CA 3.5Å; Q500-T513 WeakPolarHBondContact CB-O 3.46Å; Q500-T513 PolarHBondContact O-N 2.83Å
501	E	92.5	Very high	89.7	Confident	31 Å²	31	59.1 Å²	59.1	15%	0.145	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.1	180	61.8	173.7	-134.6	0	0	113.1	R495 V496 E499 I510 I511 Q512	R495-E501 IonicContact CZ-OE1 3.68Å; R495-E501 IonicContact NE-OE1 2.67Å; R495-E501 IonicContact NH2-OE1 2.77Å; R495-E501 PolarHBondContact NH2-OE1 2.92Å; V496-E501 WeakPolarHBondContact CG2-O 3.36Å; E499-E501 HydrophobicContact CB-CG 3.63Å; E499-E501 PolarHBondContact O-N 3.39Å; E499-E501 VanDerWaalsContact O-N 3.16Å; E501-I510 HydrophobicContact CB-CG2 3.66Å; E501-I510 VanDerWaalsContact CD-CG2 3.43Å; E501-I510 HydrophobicContact CG-CG2 4.05Å; E501-I510 WeakPolarHBondContact OE2-CG2 3.23Å; E501-I511 WeakPolarHBondContact CA-O 3.35Å; E501-Q512 PolarHBondContact OE2-NE2 3.36Å
502	F	92	Very high	89.7	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.5	170.6	62.9	-79.3	0	0	0	111.9	F451 F469 E470 V496 I511 T513	F451-F502 HydrophobicContact CB-CD2 4.07Å; F451-F502 HydrophobicContact CD1-CB 3.84Å; F451-F502 HydrophobicContact CD1-CD2 4.02Å; F451-F502 HydrophobicContact CD1-CG 4.06Å; F451-F502 HydrophobicContact CE1-CB 4.33Å; F451-F502 VanDerWaalsContact O-CE2 3.25Å; F451-F502 WeakPolarHBondContact O-CE2 3.26Å; F469-F502 HydrophobicContact CB-CD1 4.1Å; F469-F502 HydrophobicContact CB-CE1 3.74Å; F469-F502 HydrophobicContact CB-CZ 4.12Å; E470-F502 HydrophobicContact CB-CZ 3.92Å; V496-F502 HydrophobicContact CG2-CB 3.66Å; V496-F502 HydrophobicContact CG2-CD1 4.4Å; V496-F502 HydrophobicContact CG2-CG 4.4Å; F502-I511 HydrophobicContact CE1-CB 4.22Å; F502-I511 HydrophobicContact CE1-CG2 4.08Å; F502-I511 HydrophobicContact CE2-CB 4.35Å; F502-I511 HydrophobicContact CE2-CD1 4.12Å; F502-I511 HydrophobicContact CZ-CB 4.04Å; F502-I511 HydrophobicContact CZ-CD1 4.3Å; F502-I511 HydrophobicContact CZ-CG2 3.91Å; F502-I511 PolarHBondContact N-O 3.26Å; F502-I511 PolarHBondContact O-N 3.44Å; F502-T513 HydrophobicContact CD1-CG2 3.88Å; F502-T513 HydrophobicContact CE1-CG2 3.74Å
503	E	90.2	Very high	89.7	Confident	66 Å²	66	58.5 Å²	58.5	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.7	173.8	-70	160.6	-151.7	0	0	108.8	R495 I510	R495-E503 IonicContact CZ-OE1 4Å; R495-E503 IonicContact NH1-OE1 3.03Å; R495-E503 PolarHBondContact NH1-OE1 3.15Å; R495-E503 IonicContact NH2-OE1 3.07Å; R495-E503 PolarHBondContact NH2-OE1 3.28Å; E503-I510 HydrophobicContact CG-CG1 4.31Å
504	R	89.1	Confident	89.6	Confident	30 Å²	30	61.4 Å²	61.4	11%	0.113	31%	0.312	C	S	.	.			trans	-68	151.1	171.2	-67.7	177.1	-176.6	154.4	-4.9	109.8	E454 E470 G506 S507 I511	E454-R504 HydrophobicContact CG-CB 4.44Å; E454-R504 VanDerWaalsContact OE1-CD 3.25Å; E454-R504 WeakPolarHBondContact OE1-CD 3.42Å; E454-R504 IonicContact OE1-CZ 3.35Å; E454-R504 IonicContact OE1-NE 2.64Å; E454-R504 IonicContact OE1-NH1 3.92Å; E454-R504 PolarHBondContact OE1-NH1 2.91Å; E470-R504 IonicContact OE1-CZ 3.56Å; E470-R504 IonicContact OE1-NH2 2.9Å; E470-R504 PolarHBondContact OE1-NH2 3.45Å; E470-R504 IonicContact OE2-CZ 3.92Å; E470-R504 IonicContact OE2-NE 3.66Å; E470-R504 PolarHBondContact OE2-NE 3.28Å; E470-R504 VanDerWaalsContact OE2-NE 3.14Å; E470-R504 IonicContact OE2-NH2 3.33Å; E470-R504 PolarHBondContact OE2-NH2 3.21Å; R504-G506 PolarHBondContact O-N 3.1Å; R504-S507 PolarHBondContact O-N 3.12Å; R504-I511 HydrophobicContact CG-CD1 3.76Å; R504-I511 VanDerWaalsContact NE-CD1 3.34Å
505	L	86.4	Confident	89.6	Confident	34 Å²	34	62 Å²	62	18%	0.178	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-57.4	125.4	171.2	-81.7	156.3	0	0	0	110.8	E447 S448 G452 H453 E454 A457 S507	E447-L505 HydrophobicContact CB-CD1 4.03Å; E447-L505 HydrophobicContact CG-CD1 3.71Å; E447-L505 HydrophobicContact CG-CD2 4.1Å; E447-L505 HydrophobicContact CG-CG 4.07Å; E447-L505 WeakPolarHBondContact OE1-CD2 3.25Å; S448-L505 VanDerWaalsContact CA-CD1 3.42Å; G452-L505 WeakPolarHBondContact O-CB 3.31Å; G452-L505 PolarHBondContact O-N 2.87Å; H453-L505 HydrophobicContact CB-CB 3.82Å; E454-L505 PolarHBondContact N-O 3.29Å; A457-L505 HydrophobicContact CB-CB 4.14Å; A457-L505 VanDerWaalsContact CB-O 3.22Å; A457-L505 WeakPolarHBondContact CB-O 3.36Å; L505-S507 VanDerWaalsContact C-N 3.33Å
506	G	85.5	Confident	89.7	Confident	65 Å²	65	58 Å²	58	67%	0.67	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	7.5	-177.5	0	0	0	0	0	115.2	R504	R504-G506 PolarHBondContact O-N 3.1Å
507	S	84.7	Confident	89.9	Confident	24 Å²	24	57.7 Å²	57.7	17%	0.168	30%	0.299	C	S	.	.			trans	-122.2	142.7	177.3	-168.5	0	0	0	0	111.4	R504 L505 K509	R504-S507 PolarHBondContact O-N 3.12Å; L505-S507 VanDerWaalsContact C-N 3.33Å; S507-K509 VanDerWaalsContact C-N 3.34Å; S507-K509 WeakPolarHBondContact OG-CB 3.45Å; S507-K509 PolarHBondContact OG-N 3.07Å; S507-K509 VanDerWaalsContact OG-N 3.16Å
508	N	84.6	Confident	90.1	Very high	152 Å²	152	56.7 Å²	56.7	81%	0.813	29%	0.294	S	S	*	.			trans	-97.6	11	169.2	-60.6	-4.6	0	0	0	111.6
509	K	88.5	Confident	90.3	Very high	141 Å²	141	52 Å²	52	61%	0.613	27%	0.272	S	S	*	.			trans	-83.8	118	179.1	-174.6	179.9	176.9	-176.9	0	109.6	S507	S507-K509 VanDerWaalsContact C-N 3.34Å; S507-K509 WeakPolarHBondContact OG-CB 3.45Å; S507-K509 PolarHBondContact OG-N 3.07Å; S507-K509 VanDerWaalsContact OG-N 3.16Å
510	I	89.6	Confident	90.4	Very high	83 Å²	83	46.6 Å²	46.6	43%	0.426	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129	173.6	-60.4	175.7	0	0	0	109.3	E501 E503	E501-I510 HydrophobicContact CB-CG2 3.66Å; E501-I510 VanDerWaalsContact CD-CG2 3.43Å; E501-I510 HydrophobicContact CG-CG2 4.05Å; E501-I510 WeakPolarHBondContact OE2-CG2 3.23Å; E503-I510 HydrophobicContact CG-CG1 4.31Å
511	I	90	Very high	90.6	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.128	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.9	176.3	-56.8	177.3	0	0	0	107.8	E501 F502 R504	E501-I511 WeakPolarHBondContact CA-O 3.35Å; F502-I511 HydrophobicContact CE1-CB 4.22Å; F502-I511 HydrophobicContact CE1-CG2 4.08Å; F502-I511 HydrophobicContact CE2-CB 4.35Å; F502-I511 HydrophobicContact CE2-CD1 4.12Å; F502-I511 HydrophobicContact CZ-CB 4.04Å; F502-I511 HydrophobicContact CZ-CD1 4.3Å; F502-I511 HydrophobicContact CZ-CG2 3.91Å; F502-I511 PolarHBondContact N-O 3.26Å; F502-I511 PolarHBondContact O-N 3.44Å; R504-I511 HydrophobicContact CG-CD1 3.76Å; R504-I511 VanDerWaalsContact NE-CD1 3.34Å
512	Q	91.8	Very high	90.5	Very high	120 Å²	120	43.8 Å²	43.8	56%	0.561	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.8	174.1	-73.9	-79.1	-27.2	0	0	109.8	Q500 E501	Q500-Q512 CarbonylContact O-C 3.39Å; Q500-Q512 WeakPolarHBondContact O-CA 3.5Å; E501-Q512 PolarHBondContact OE2-NE2 3.36Å
513	T	89.7	Confident	90.4	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.055	25%	0.25	C	C	.	.			trans	-145.9	135.9	-177.8	-163.1	0	0	0	0	112.4	F469 D473 V496 Q500 F502 V515	F469-T513 PolarHBondContact O-OG1 3.42Å; D473-T513 WeakPolarHBondContact OD1-CA 3.46Å; D473-T513 PolarHBondContact OD1-OG1 3.22Å; V496-T513 HydrophobicContact CG1-CG2 4.34Å; Q500-T513 WeakPolarHBondContact CB-O 3.46Å; Q500-T513 PolarHBondContact O-N 2.83Å; F502-T513 HydrophobicContact CD1-CG2 3.88Å; F502-T513 HydrophobicContact CE1-CG2 3.74Å; T513-V515 HydrophobicContact CG2-CG2 3.97Å; T513-V515 VanDerWaalsContact OG1-CG2 3.29Å; T513-V515 WeakPolarHBondContact OG1-CG2 3.29Å
514	D	91	Very high	90.5	Very high	62 Å²	62	49 Å²	49	33%	0.332	26%	0.259	S	S	.	.			trans	-103	86.1	176.7	175.4	12.7	0	0	0	109.8	R428 D473 K474	R428-D514 IonicContact CZ-OD1 3.66Å; R428-D514 PolarHBondContact NH1-O 3.48Å; R428-D514 IonicContact NH1-OD1 2.8Å; R428-D514 PolarHBondContact NH1-OD1 3.46Å; R428-D514 IonicContact NH2-OD1 2.85Å; R428-D514 PolarHBondContact NH2-OD1 3.44Å; R428-D514 IonicContact NH2-OD2 3.16Å; D473-D514 PolarHBondContact OD1-N 2.68Å; K474-D514 WeakPolarHBondContact CA-O 3.2Å; K474-D514 PolarHBondContact N-O 2.99Å
515	V	91.3	Very high	90.6	Very high	23 Å²	23	47.8 Å²	47.8	14%	0.139	26%	0.255	C	S	.	.			trans	-116.5	128.2	-177.4	-176	0	0	0	0	110.9	F469 A472 L477 T513	F469-V515 HydrophobicContact CD1-CB 4.34Å; F469-V515 HydrophobicContact CD1-CG1 4.39Å; F469-V515 HydrophobicContact CD1-CG2 4.2Å; F469-V515 WeakPolarHBondContact O-CG2 3.4Å; A472-V515 HydrophobicContact CB-CG1 3.83Å; A472-V515 HydrophobicContact CB-CG2 4.03Å; L477-V515 HydrophobicContact CB-CG1 3.43Å; L477-V515 VanDerWaalsContact CB-CG1 3.43Å; T513-V515 HydrophobicContact CG2-CG2 3.97Å; T513-V515 VanDerWaalsContact OG1-CG2 3.29Å; T513-V515 WeakPolarHBondContact OG1-CG2 3.29Å
516	R	93.5	Very high	90.7	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.2	169.1	-179.1	-179.5	177.4	-178.7	2.3	109.4	V398 A399 S401 R428 S475 S476 L477	V398-R516 PolarHBondContact O-NH2 2.69Å; A399-R516 PolarHBondContact O-NH1 2.56Å; S401-R516 PolarHBondContact O-NE 2.83Å; S401-R516 PolarHBondContact O-NH1 3.37Å; S401-R516 PolarHBondContact O-NH2 2.78Å; R428-R516 VanDerWaalsContact NH1-N 3.11Å; S475-R516 PolarHBondContact O-N 2.69Å; S476-R516 CarbonylContact C-O 3.57Å; S476-R516 WeakPolarHBondContact CA-O 3.41Å; L477-R516 PolarHBondContact N-O 3.28Å
517	L	93.7	Very high	91	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.6	-179.1	-168.2	72.4	0	0	0	112.1	T404 V405 L477 L479 L493 L497 L542	T404-L517 WeakPolarHBondContact CA-O 3.37Å; T404-L517 HydrophobicContact CG2-CB 4.11Å; T404-L517 HydrophobicContact CG2-CD2 4.23Å; T404-L517 HydrophobicContact CG2-CG 4.43Å; V405-L517 PolarHBondContact N-O 3.17Å; L477-L517 HydrophobicContact CB-CD1 4.25Å; L477-L517 HydrophobicContact CD2-CD1 4.04Å; L477-L517 HydrophobicContact CG-CD1 4.23Å; L479-L517 HydrophobicContact CD1-CD1 3.72Å; L479-L517 HydrophobicContact CD1-CD2 4.42Å; L479-L517 HydrophobicContact CG-CD1 3.84Å; L493-L517 HydrophobicContact CD1-CD2 4.42Å; L497-L517 HydrophobicContact CD1-CD2 3.86Å; L497-L517 HydrophobicContact CD2-CB 3.92Å; L497-L517 HydrophobicContact CD2-CD2 3.68Å; L497-L517 HydrophobicContact CD2-CG 4.39Å; L497-L517 HydrophobicContact CG-CD2 4.21Å; L517-L542 HydrophobicContact CD2-CD2 3.43Å; L517-L542 VanDerWaalsContact CD2-CD2 3.43Å
518	I	95.1	Very high	91.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.9	167.9	-55.2	173	0	0	0	106.7	V405 I407 A419 I422 L477 F478 L479	V405-I518 HydrophobicContact CB-CG2 4.42Å; I407-I518 HydrophobicContact CD1-CG2 3.8Å; I407-I518 HydrophobicContact CG1-CG2 4.39Å; A419-I518 HydrophobicContact CB-CG2 3.87Å; I422-I518 HydrophobicContact CB-CD1 4.11Å; I422-I518 HydrophobicContact CD1-CG2 4.46Å; I422-I518 HydrophobicContact CG2-CD1 3.78Å; L477-I518 PolarHBondContact O-N 2.64Å; F478-I518 CarbonylContact C-O 3.4Å; F478-I518 VanDerWaalsContact CA-O 3.27Å; F478-I518 WeakPolarHBondContact CA-O 3.41Å; F478-I518 HydrophobicContact CD2-CB 4.29Å; F478-I518 HydrophobicContact CD2-CG2 3.99Å; F478-I518 WeakPolarHBondContact CD2-O 2.79Å; F478-I518 HydrophobicContact CE2-CG2 4.5Å; L479-I518 PolarHBondContact N-O 3.26Å
519	A	94.8	Very high	91.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.3	-179.6	0	0	0	0	0	110.5	V405 L406 I407 L479 V482 L542	V405-A519 PolarHBondContact O-N 3.12Å; L406-A519 CarbonylContact C-O 3.47Å; L406-A519 WeakPolarHBondContact CA-O 3.22Å; L406-A519 HydrophobicContact CD1-CB 4.04Å; I407-A519 PolarHBondContact N-O 3.38Å; L479-A519 CarbonylContact O-C 3.49Å; L479-A519 WeakPolarHBondContact O-CA 2.92Å; V482-A519 HydrophobicContact CB-CB 4.4Å; V482-A519 HydrophobicContact CG1-CB 4.13Å; A519-L542 HydrophobicContact CB-CD2 4.27Å
520	A	94.9	Very high	91.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.6	174.8	0	0	0	0	0	110.9	I407 K415 F478 L479 E481 V482	I407-A520 HydrophobicContact CB-CB 4.21Å; I407-A520 VanDerWaalsContact O-CA 3.27Å; I407-A520 WeakPolarHBondContact O-CA 3.48Å; K415-A520 HydrophobicContact CB-CB 4.11Å; K415-A520 HydrophobicContact CD-CB 3.98Å; F478-A520 HydrophobicContact CE2-CB 3.58Å; F478-A520 HydrophobicContact CZ-CB 3.76Å; L479-A520 PolarHBondContact O-N 2.71Å; E481-A520 CarbonylContact C-O 3.59Å; E481-A520 VanDerWaalsContact CA-O 3.28Å; E481-A520 WeakPolarHBondContact CA-O 3.21Å; E481-A520 PolarHBondContact N-O 3.01Å; V482-A520 PolarHBondContact N-O 2.99Å
521	T	93.4	Very high	91.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	149	171.6	-173.8	0	0	0	0	112.6	L406 I407 L408 G409 E481 V482 R523 L525	L406-T521 HydrophobicContact CD1-CG2 4.4Å; I407-T521 PolarHBondContact O-N 3.12Å; L408-T521 HydrophobicContact CD2-CG2 3.71Å; G409-T521 PolarHBondContact N-O 3.36Å; E481-T521 WeakPolarHBondContact OE2-CA 3.25Å; V482-T521 HydrophobicContact CG1-CG2 4.39Å; T521-R523 PolarHBondContact OG1-N 3.37Å; T521-R523 VanDerWaalsContact OG1-N 3.1Å; T521-L525 HydrophobicContact CG2-CD1 3.93Å; T521-L525 HydrophobicContact CG2-CD2 4.21Å; T521-L525 HydrophobicContact CG2-CG 3.85Å
522	N	92	Very high	91.9	Very high	73 Å²	73	56.2 Å²	56.2	39%	0.39	27%	0.274	S	S	.	.	S	Bend	trans	-92.3	-10.9	168.7	70.8	31.3	0	0	0	114	G409 E481	G409-N522 VanDerWaalsContact O-CA 3.27Å; G409-N522 WeakPolarHBondContact O-CA 3.47Å; G409-N522 WeakPolarHBondContact O-CB 3.34Å; E481-N522 VanDerWaalsContact CD-ND2 3.27Å; E481-N522 PolarHBondContact OE1-ND2 3.33Å; E481-N522 VanDerWaalsContact OE2-CG 3.26Å; E481-N522 PolarHBondContact OE2-N 3.46Å; E481-N522 PolarHBondContact OE2-ND2 2.96Å
523	R	89.7	Confident	91.8	Very high	87 Å²	87	54.7 Å²	54.7	33%	0.328	27%	0.267	S	S	.	.	S	Bend	trans	-89.7	150.6	-177.2	-60.1	-174	67.5	-173.1	-7.5	110.8	D484 T521 L525 M528 E533	D484-R523 VanDerWaalsContact OD1-CD 3.23Å; D484-R523 WeakPolarHBondContact OD1-CD 3.34Å; D484-R523 IonicContact OD1-CZ 2.92Å; D484-R523 IonicContact OD1-NH1 3.74Å; D484-R523 PolarHBondContact OD1-NH1 3.48Å; D484-R523 VanDerWaalsContact OD1-NH1 3.11Å; T521-R523 PolarHBondContact OG1-N 3.37Å; T521-R523 VanDerWaalsContact OG1-N 3.1Å; R523-L525 PolarHBondContact O-N 2.63Å; R523-L525 VanDerWaalsContact O-N 3.09Å; R523-M528 HydrophobicContact CB-SD 3.78Å; R523-M528 HydrophobicContact CG-SD 4.46Å; R523-M528 VanDerWaalsContact CZ-CE 3.47Å; R523-M528 VanDerWaalsContact CZ-SD 3.55Å; R523-M528 PolarHBondContact NE-SD 2.98Å; R523-E533 IonicContact CZ-OE2 3.35Å; R523-E533 IonicContact NH2-OE2 3.49Å; R523-E533 PolarHBondContact NH2-OE2 3.08Å
524	D	91.4	Very high	92	Very high	95 Å²	95	54.5 Å²	54.5	51%	0.508	27%	0.265	S	S	.	.			trans	-76.8	95.3	171.5	-175.8	-10.1	0	0	0	110.2	K526 K527 M528	D524-K526 PolarHBondContact O-N 3.26Å; D524-K526 WeakPolarHBondContact OD1-CB 3.32Å; D524-K526 PolarHBondContact OD1-N 3.12Å; D524-K527 HydrophobicContact CB-CB 3.98Å; D524-K527 WeakPolarHBondContact O-CB 3.35Å; D524-K527 PolarHBondContact O-N 3.27Å; D524-K527 PolarHBondContact OD1-N 3.49Å; D524-M528 WeakPolarHBondContact O-CG 3.2Å; D524-M528 PolarHBondContact O-N 2.91Å
525	L	90.6	Very high	92	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-31.3	178.7	-63.7	-178.9	0	0	0	112.9	L406 V482 T521 R523 K527 M528 V529 F534 Y539	L406-L525 HydrophobicContact CD1-CD1 4.16Å; L406-L525 HydrophobicContact CD2-CD1 4.05Å; V482-L525 HydrophobicContact CG1-CD1 4.43Å; T521-L525 HydrophobicContact CG2-CD1 3.93Å; T521-L525 HydrophobicContact CG2-CD2 4.21Å; T521-L525 HydrophobicContact CG2-CG 3.85Å; R523-L525 PolarHBondContact O-N 2.63Å; R523-L525 VanDerWaalsContact O-N 3.09Å; L525-K527 VanDerWaalsContact C-N 3.33Å; L525-M528 HydrophobicContact CD2-SD 4.15Å; L525-M528 PolarHBondContact O-N 2.75Å; L525-V529 VanDerWaalsContact O-CG2 3.29Å; L525-V529 WeakPolarHBondContact O-CG2 3.02Å; L525-V529 PolarHBondContact O-N 2.96Å; L525-F534 HydrophobicContact CD2-CD2 4.19Å; L525-F534 HydrophobicContact CD2-CE2 4.21Å; L525-F534 HydrophobicContact CD2-CG 4.44Å; L525-F534 HydrophobicContact CD2-CZ 4.47Å; L525-Y539 HydrophobicContact CB-CD2 3.74Å; L525-Y539 HydrophobicContact CB-CE2 3.92Å; L525-Y539 HydrophobicContact CD1-CD2 4.2Å
526	K	89.8	Confident	92	Very high	138 Å²	138	58.2 Å²	58.2	60%	0.6	28%	0.281	S	S	*	.	H	α-helix	trans	-65.7	-42.1	178.3	-68.8	-179.8	-179.6	175.2	0	110.3	D524 V529 A530 Y539	D524-K526 PolarHBondContact O-N 3.26Å; D524-K526 WeakPolarHBondContact OD1-CB 3.32Å; D524-K526 PolarHBondContact OD1-N 3.12Å; K526-V529 PolarHBondContact O-N 2.85Å; K526-A530 PolarHBondContact O-N 3.29Å; K526-Y539 WeakPolarHBondContact CE-OH 3.18Å; K526-Y539 HydrophobicContact CG-CE1 4.22Å; K526-Y539 HydrophobicContact CG-CE2 4.17Å; K526-Y539 VanDerWaalsContact CG-OH 3.29Å; K526-Y539 WeakPolarHBondContact CG-OH 3.43Å
527	K	92.1	Very high	91.9	Very high	131 Å²	131	60.7 Å²	60.7	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-64.2	-44.3	174.4	-171.4	179.7	176.7	-176.8	0	111.4	D524 L525 V529 A530 D531	D524-K527 HydrophobicContact CB-CB 3.98Å; D524-K527 WeakPolarHBondContact O-CB 3.35Å; D524-K527 PolarHBondContact O-N 3.27Å; D524-K527 PolarHBondContact OD1-N 3.49Å; L525-K527 VanDerWaalsContact C-N 3.33Å; K527-V529 VanDerWaalsContact C-N 3.27Å; K527-V529 PolarHBondContact O-N 3.2Å; K527-A530 WeakPolarHBondContact O-CA 3.37Å; K527-A530 WeakPolarHBondContact O-CB 3.36Å; K527-A530 PolarHBondContact O-N 2.98Å; K527-D531 PolarHBondContact O-N 2.79Å
528	M	91.1	Very high	91.9	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.044	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-33.3	177.1	-66.5	-176.5	66.7	0	0	113.5	G483 R523 D524 L525 D531 R532 E533 F534	G483-M528 WeakPolarHBondContact O-CE 3.34Å; R523-M528 HydrophobicContact CB-SD 3.78Å; R523-M528 HydrophobicContact CG-SD 4.46Å; R523-M528 VanDerWaalsContact CZ-CE 3.47Å; R523-M528 VanDerWaalsContact CZ-SD 3.55Å; R523-M528 PolarHBondContact NE-SD 2.98Å; D524-M528 WeakPolarHBondContact O-CG 3.2Å; D524-M528 PolarHBondContact O-N 2.91Å; L525-M528 HydrophobicContact CD2-SD 4.15Å; L525-M528 PolarHBondContact O-N 2.75Å; M528-D531 CarbonylContact O-C 3.56Å; M528-D531 PolarHBondContact O-N 3.34Å; M528-R532 PolarHBondContact O-N 2.74Å; M528-R532 VanDerWaalsContact O-N 3.14Å; M528-E533 HydrophobicContact CB-CB 4.31Å; M528-E533 HydrophobicContact CE-CB 3.92Å; M528-E533 PolarHBondContact O-N 3.33Å; M528-F534 HydrophobicContact CB-CB 3.87Å; M528-F534 PolarHBondContact O-N 2.9Å
529	V	90.8	Very high	91.7	Very high	37 Å²	37	61.5 Å²	61.5	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-42.1	172.6	171.1	0	0	0	0	111	L525 K526 K527 D531 R532 F534 Y539	L525-V529 VanDerWaalsContact O-CG2 3.29Å; L525-V529 WeakPolarHBondContact O-CG2 3.02Å; L525-V529 PolarHBondContact O-N 2.96Å; K526-V529 PolarHBondContact O-N 2.85Å; K527-V529 VanDerWaalsContact C-N 3.27Å; K527-V529 PolarHBondContact O-N 3.2Å; V529-D531 VanDerWaalsContact C-N 3.28Å; V529-D531 PolarHBondContact O-N 2.82Å; V529-R532 PolarHBondContact O-N 3.18Å; V529-F534 WeakPolarHBondContact CA-O 3.47Å; V529-F534 HydrophobicContact CG2-CB 4.07Å; V529-F534 HydrophobicContact CG2-CD1 4.09Å; V529-Y539 HydrophobicContact CG2-CG 4.16Å
530	A	91.1	Very high	91.6	Very high	77 Å²	77	69.3 Å²	69.3	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-62.3	-38.3	174.9	0	0	0	0	0	111.8	K526 K527 R532	K526-A530 PolarHBondContact O-N 3.29Å; K527-A530 WeakPolarHBondContact O-CA 3.37Å; K527-A530 WeakPolarHBondContact O-CB 3.36Å; K527-A530 PolarHBondContact O-N 2.98Å; A530-R532 PolarHBondContact O-N 3.03Å
531	D	92.7	Very high	91.5	Very high	93 Å²	93	74.6 Å²	74.6	50%	0.497	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.3	178.7	-62.9	-23.2	0	0	0	113.2	K527 M528 V529 E533	K527-D531 PolarHBondContact O-N 2.79Å; M528-D531 CarbonylContact O-C 3.56Å; M528-D531 PolarHBondContact O-N 3.34Å; V529-D531 VanDerWaalsContact C-N 3.28Å; V529-D531 PolarHBondContact O-N 2.82Å; D531-E533 HydrophobicContact CB-CG 4.31Å; D531-E533 PolarHBondContact O-N 3.01Å
532	R	89.7	Confident	91.4	Very high	217 Å²	217	74.6 Å²	74.6	82%	0.819	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	20	-177	-54.7	179.7	178.6	178	-0.5	114.8	M528 V529 A530	M528-R532 PolarHBondContact O-N 2.74Å; M528-R532 VanDerWaalsContact O-N 3.14Å; V529-R532 PolarHBondContact O-N 3.18Å; A530-R532 PolarHBondContact O-N 3.03Å
533	E	90.4	Very high	91.4	Very high	88 Å²	88	73.1 Å²	73.1	41%	0.411	34%	0.341	S	S	.	.	S	Bend	trans	-85.5	-16.2	173.7	-63.2	-169.3	164	0	0	112.7	L487 Q490 R523 M528 D531	L487-E533 WeakPolarHBondContact CD2-O 3.46Å; Q490-E533 PolarHBondContact NE2-O 3.46Å; R523-E533 IonicContact CZ-OE2 3.35Å; R523-E533 IonicContact NH2-OE2 3.49Å; R523-E533 PolarHBondContact NH2-OE2 3.08Å; M528-E533 HydrophobicContact CB-CB 4.31Å; M528-E533 HydrophobicContact CE-CB 3.92Å; M528-E533 PolarHBondContact O-N 3.33Å; D531-E533 HydrophobicContact CB-CG 4.31Å; D531-E533 PolarHBondContact O-N 3.01Å
534	F	92.2	Very high	91.5	Very high	4 Å²	4	72.6 Å²	72.6	2%	0.018	35%	0.347	C	S	.	.	S	Bend	trans	-135.5	138.4	179	-156.6	-92.5	0	0	0	110.7	Q490 L525 M528 V529 L538 L542	Q490-F534 HydrophobicContact CG-CE2 4.48Å; L525-F534 HydrophobicContact CD2-CD2 4.19Å; L525-F534 HydrophobicContact CD2-CE2 4.21Å; L525-F534 HydrophobicContact CD2-CG 4.44Å; L525-F534 HydrophobicContact CD2-CZ 4.47Å; M528-F534 HydrophobicContact CB-CB 3.87Å; M528-F534 PolarHBondContact O-N 2.9Å; V529-F534 WeakPolarHBondContact CA-O 3.47Å; V529-F534 HydrophobicContact CG2-CB 4.07Å; V529-F534 HydrophobicContact CG2-CD1 4.09Å; F534-L538 HydrophobicContact CE1-CB 4.14Å; F534-L538 HydrophobicContact CE1-CD2 3.93Å; F534-L538 HydrophobicContact CE1-CG 3.9Å; F534-L538 HydrophobicContact CE2-CD2 4.24Å; F534-L538 HydrophobicContact CZ-CD2 3.54Å; F534-L538 HydrophobicContact CZ-CG 3.9Å; F534-L542 HydrophobicContact CE1-CD1 4.29Å; F534-L542 HydrophobicContact CZ-CD1 3.79Å
535	R	91.7	Very high	91.6	Very high	102 Å²	102	70.5 Å²	70.5	39%	0.385	33%	0.334	S	S	.	.			trans	-73.5	135.8	-179.8	-60.1	177.9	61.6	106	-0.5	111.5	Q490 D537 L538 Y539	Q490-R535 HydrophobicContact CB-CG 4.37Å; R535-D537 WeakPolarHBondContact CB-OD1 3.47Å; R535-D537 IonicContact CZ-OD1 3.14Å; R535-D537 IonicContact CZ-OD2 3.21Å; R535-D537 IonicContact NE-OD1 2.79Å; R535-D537 PolarHBondContact NE-OD1 3.1Å; R535-D537 IonicContact NE-OD2 3.82Å; R535-D537 PolarHBondContact NE-OD2 3.4Å; R535-D537 IonicContact NH2-OD1 3.95Å; R535-D537 IonicContact NH2-OD2 3.39Å; R535-D537 PolarHBondContact NH2-OD2 3.28Å; R535-D537 PolarHBondContact O-N 3.39Å; R535-L538 HydrophobicContact CB-CB 4.35Å; R535-Y539 PolarHBondContact O-N 2.89Å; R535-Y539 VanDerWaalsContact O-N 3.09Å
536	S	91.9	Very high	91.8	Very high	62 Å²	62	72.6 Å²	72.6	43%	0.434	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-39.6	180	57.5	0	0	0	0	112.6	Y539 Y540	S536-Y539 PolarHBondContact O-N 2.68Å; S536-Y540 WeakPolarHBondContact O-CD2 3.42Å; S536-Y540 PolarHBondContact O-N 2.96Å; S536-Y540 VanDerWaalsContact O-N 3.16Å
537	D	91.8	Very high	92	Very high	56 Å²	56	66 Å²	66	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-45.5	179.7	51	10.7	0	0	0	112.4	L494 R535 R541	L494-D537 HydrophobicContact CD2-CB 4.08Å; L494-D537 VanDerWaalsContact CD2-CG 3.48Å; L494-D537 WeakPolarHBondContact CD2-OD2 3.27Å; R535-D537 WeakPolarHBondContact CB-OD1 3.47Å; R535-D537 IonicContact CZ-OD1 3.14Å; R535-D537 IonicContact CZ-OD2 3.21Å; R535-D537 IonicContact NE-OD1 2.79Å; R535-D537 PolarHBondContact NE-OD1 3.1Å; R535-D537 IonicContact NE-OD2 3.82Å; R535-D537 PolarHBondContact NE-OD2 3.4Å; R535-D537 IonicContact NH2-OD1 3.95Å; R535-D537 IonicContact NH2-OD2 3.39Å; R535-D537 PolarHBondContact NH2-OD2 3.28Å; R535-D537 PolarHBondContact O-N 3.39Å; D537-R541 PolarHBondContact O-N 2.94Å
538	L	92.4	Very high	92	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-42.4	174.1	-180	62.6	0	0	0	111.7	Q490 L493 L494 L497 F534 R535 Y540 R541 L542	Q490-L538 HydrophobicContact CB-CD2 3.62Å; Q490-L538 HydrophobicContact CG-CD2 3.8Å; L493-L538 HydrophobicContact CB-CD1 4.5Å; L493-L538 HydrophobicContact CD2-CD1 4.07Å; L493-L538 HydrophobicContact CD2-CD2 4.17Å; L493-L538 HydrophobicContact CG-CD1 4.05Å; L494-L538 HydrophobicContact CB-CD1 4.31Å; L494-L538 HydrophobicContact CD1-CD1 4.48Å; L497-L538 HydrophobicContact CD1-CD1 3.9Å; F534-L538 HydrophobicContact CE1-CB 4.14Å; F534-L538 HydrophobicContact CE1-CD2 3.93Å; F534-L538 HydrophobicContact CE1-CG 3.9Å; F534-L538 HydrophobicContact CE2-CD2 4.24Å; F534-L538 HydrophobicContact CZ-CD2 3.54Å; F534-L538 HydrophobicContact CZ-CG 3.9Å; R535-L538 HydrophobicContact CB-CB 4.35Å; L538-Y540 PolarHBondContact O-N 3.23Å; L538-R541 PolarHBondContact O-N 2.8Å; L538-R541 VanDerWaalsContact O-N 3.11Å; L538-L542 HydrophobicContact CD1-CD1 4.2Å; L538-L542 HydrophobicContact CD1-CD2 4.5Å; L538-L542 HydrophobicContact CD1-CG 4.07Å; L538-L542 HydrophobicContact CD2-CD1 4.5Å; L538-L542 HydrophobicContact CG-CD1 3.99Å; L538-L542 HydrophobicContact CG-CG 4.26Å; L538-L542 WeakPolarHBondContact O-CG 3.2Å; L538-L542 PolarHBondContact O-N 3.18Å
539	Y	92.1	Very high	92.1	Very high	18 Å²	18	65.7 Å²	65.7	7%	0.071	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-49.9	178.9	168.2	-106	0	0	0	111.9	L525 K526 V529 R535 S536 R541 L542 N543	L525-Y539 HydrophobicContact CB-CD2 3.74Å; L525-Y539 HydrophobicContact CB-CE2 3.92Å; L525-Y539 HydrophobicContact CD1-CD2 4.2Å; K526-Y539 WeakPolarHBondContact CE-OH 3.18Å; K526-Y539 HydrophobicContact CG-CE1 4.22Å; K526-Y539 HydrophobicContact CG-CE2 4.17Å; K526-Y539 VanDerWaalsContact CG-OH 3.29Å; K526-Y539 WeakPolarHBondContact CG-OH 3.43Å; V529-Y539 HydrophobicContact CG2-CG 4.16Å; R535-Y539 PolarHBondContact O-N 2.89Å; R535-Y539 VanDerWaalsContact O-N 3.09Å; S536-Y539 PolarHBondContact O-N 2.68Å; Y539-R541 PolarHBondContact O-N 2.82Å; Y539-L542 PolarHBondContact O-N 3.28Å; Y539-N543 HydrophobicContact CD2-CB 4.4Å; Y539-N543 HydrophobicContact CE1-CB 4.46Å; Y539-N543 HydrophobicContact CE2-CB 3.94Å; Y539-N543 WeakPolarHBondContact O-CB 3.37Å; Y539-N543 PolarHBondContact O-N 3.06Å; Y539-N543 PolarHBondContact OH-ND2 3.09Å
540	Y	92.3	Very high	92.1	Very high	164 Å²	164	64.5 Å²	64.5	64%	0.643	31%	0.312	S	S	*	.	H	α-helix	trans	-65	-26.5	180	-69.3	-64.5	0	0	0	113.1	S536 L538	S536-Y540 WeakPolarHBondContact O-CD2 3.42Å; S536-Y540 PolarHBondContact O-N 2.96Å; S536-Y540 VanDerWaalsContact O-N 3.16Å; L538-Y540 PolarHBondContact O-N 3.23Å
541	R	91.7	Very high	92.1	Very high	111 Å²	111	61.3 Å²	61.3	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-81	-30	176.7	-164.2	63.8	167.7	-167.1	-2.1	113.2	L494 L497 D537 L538 Y539 V544	L494-R541 HydrophobicContact CD1-CB 4.44Å; L497-R541 HydrophobicContact CB-CG 3.92Å; L497-R541 HydrophobicContact CD1-CG 4.23Å; L497-R541 PolarHBondContact O-NE 3.28Å; L497-R541 PolarHBondContact O-NH2 3.02Å; D537-R541 PolarHBondContact O-N 2.94Å; L538-R541 PolarHBondContact O-N 2.8Å; L538-R541 VanDerWaalsContact O-N 3.11Å; Y539-R541 PolarHBondContact O-N 2.82Å; R541-V544 VanDerWaalsContact O-CG2 3.23Å; R541-V544 WeakPolarHBondContact O-CG2 3.4Å
542	L	92.5	Very high	92	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-76.7	-39.5	171.9	-67.4	178.2	0	0	0	111.4	T404 L406 V482 L497 L517 A519 F534 L538 Y539 V544	T404-L542 HydrophobicContact CG2-CD2 4.21Å; L406-L542 WeakPolarHBondContact CB-O 3.38Å; V482-L542 HydrophobicContact CG1-CD1 4.35Å; V482-L542 HydrophobicContact CG2-CD1 4Å; L497-L542 HydrophobicContact CD1-CD2 3.75Å; L497-L542 HydrophobicContact CD1-CG 4.5Å; L517-L542 HydrophobicContact CD2-CD2 3.43Å; L517-L542 VanDerWaalsContact CD2-CD2 3.43Å; A519-L542 HydrophobicContact CB-CD2 4.27Å; F534-L542 HydrophobicContact CE1-CD1 4.29Å; F534-L542 HydrophobicContact CZ-CD1 3.79Å; L538-L542 HydrophobicContact CD1-CD1 4.2Å; L538-L542 HydrophobicContact CD1-CD2 4.5Å; L538-L542 HydrophobicContact CD1-CG 4.07Å; L538-L542 HydrophobicContact CD2-CD1 4.5Å; L538-L542 HydrophobicContact CG-CD1 3.99Å; L538-L542 HydrophobicContact CG-CG 4.26Å; L538-L542 WeakPolarHBondContact O-CG 3.2Å; L538-L542 PolarHBondContact O-N 3.18Å; Y539-L542 PolarHBondContact O-N 3.28Å; L542-V544 PolarHBondContact O-N 3.01Å
543	N	91.6	Very high	92	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.23	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	43.1	-177.2	-168.1	59.4	0	0	0	113	L406 Y539 P546	L406-N543 HydrophobicContact CD2-CB 4.13Å; Y539-N543 HydrophobicContact CD2-CB 4.4Å; Y539-N543 HydrophobicContact CE1-CB 4.46Å; Y539-N543 HydrophobicContact CE2-CB 3.94Å; Y539-N543 WeakPolarHBondContact O-CB 3.37Å; Y539-N543 PolarHBondContact O-N 3.06Å; Y539-N543 PolarHBondContact OH-ND2 3.09Å; N543-P546 WeakPolarHBondContact OD1-CB 3.37Å
544	V	91.8	Very high	91.9	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-46.8	176.2	171.4	0	0	0	0	110.3	R541 L542	R541-V544 VanDerWaalsContact O-CG2 3.23Å; R541-V544 WeakPolarHBondContact O-CG2 3.4Å; L542-V544 PolarHBondContact O-N 3.01Å
545	F	93.9	Very high	91.8	Very high	52 Å²	52	53.3 Å²	53.3	23%	0.228	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	94.4	174	-163.5	-89.2	0	0	0	110.4	Q394 M397 V398 T404 V405 L406 I547	Q394-F545 HydrophobicContact CB-CE1 4.07Å; Q394-F545 HydrophobicContact CB-CZ 4.24Å; Q394-F545 HydrophobicContact CG-CZ 4.48Å; M397-F545 HydrophobicContact SD-CE2 4.46Å; V398-F545 HydrophobicContact CB-CD1 3.78Å; V398-F545 HydrophobicContact CB-CE1 3.71Å; V398-F545 HydrophobicContact CB-CG 4.26Å; V398-F545 HydrophobicContact CB-CZ 4.14Å; V398-F545 HydrophobicContact CG1-CD1 4.29Å; V398-F545 HydrophobicContact CG1-CE1 4.23Å; V398-F545 HydrophobicContact CG2-CB 4.01Å; V398-F545 HydrophobicContact CG2-CD1 3.59Å; V398-F545 HydrophobicContact CG2-CD2 4.23Å; V398-F545 HydrophobicContact CG2-CE1 4.05Å; V398-F545 HydrophobicContact CG2-CG 3.68Å; T404-F545 PolarHBondContact O-N 3.36Å; V405-F545 HydrophobicContact CG1-CD1 4.4Å; L406-F545 PolarHBondContact N-O 3.43Å; F545-I547 HydrophobicContact CD1-CD1 4.13Å; F545-I547 HydrophobicContact CD1-CG1 3.8Å; F545-I547 HydrophobicContact CE1-CD1 4Å; F545-I547 HydrophobicContact CE1-CG1 3.75Å
546	P	93.8	Very high	91.5	Very high	47 Å²	47	50.5 Å²	50.5	31%	0.305	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.8	178.1	29	-31.2	0	0	0	111.9	L406 L408 N543	L406-P546 CarbonylContact O-C 3.49Å; L406-P546 WeakPolarHBondContact O-CA 3.49Å; L408-P546 HydrophobicContact CD1-CB 4.37Å; N543-P546 WeakPolarHBondContact OD1-CB 3.37Å
547	I	93.8	Very high	91.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.3	172.2	-61.6	-179.9	0	0	0	107.9	V391 Q394 V395 V398 V405 L406 I407 L408 I422 F545 L549	V391-I547 HydrophobicContact CG1-CG2 3.91Å; Q394-I547 HydrophobicContact CB-CG1 4.48Å; V395-I547 HydrophobicContact CG2-CD1 4.18Å; V398-I547 HydrophobicContact CG1-CD1 4.17Å; V405-I547 HydrophobicContact CG1-CD1 3.66Å; V405-I547 HydrophobicContact CG1-CG1 4.04Å; L406-I547 PolarHBondContact O-N 3.44Å; I407-I547 CarbonylContact C-O 3.28Å; I407-I547 WeakPolarHBondContact CA-O 3.25Å; L408-I547 PolarHBondContact N-O 3.28Å; I422-I547 HydrophobicContact CD1-CD1 4.11Å; F545-I547 HydrophobicContact CD1-CD1 4.13Å; F545-I547 HydrophobicContact CD1-CG1 3.8Å; F545-I547 HydrophobicContact CE1-CD1 4Å; F545-I547 HydrophobicContact CE1-CG1 3.75Å; I547-L549 HydrophobicContact CG2-CD2 4.48Å
548	H	93.1	Very high	91	Very high	122 Å²	122	50.5 Å²	50.5	57%	0.565	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.5	177.3	-68.8	-88.3	0	0	0	110.1	V391 L408	V391-H548 WeakPolarHBondContact CG2-O 3.36Å; L408-H548 WeakPolarHBondContact CD1-CE1 3.46Å; L408-H548 WeakPolarHBondContact O-CA 3.5Å
549	L	92.2	Very high	90.8	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-87.2	121.4	173	-67.4	-175.9	0	0	0	110.5	V391 I407 L408 K415 I418 I547	V391-L549 HydrophobicContact CB-CD2 4.47Å; V391-L549 HydrophobicContact CG1-CD2 3.52Å; V391-L549 HydrophobicContact CG2-CD2 4.19Å; I407-L549 HydrophobicContact CG2-CD1 3.71Å; I407-L549 HydrophobicContact CG2-CG 3.91Å; L408-L549 PolarHBondContact O-N 2.96Å; K415-L549 HydrophobicContact CB-CD1 4.37Å; K415-L549 HydrophobicContact CG-CD1 3.77Å; I418-L549 HydrophobicContact CB-CD1 4.42Å; I418-L549 HydrophobicContact CD1-CD2 3.96Å; I418-L549 HydrophobicContact CG1-CD1 3.88Å; I418-L549 HydrophobicContact CG1-CD2 3.77Å; I418-L549 HydrophobicContact CG1-CG 4.47Å; I547-L549 HydrophobicContact CG2-CD2 4.48Å
550	P	91.2	Very high	90.6	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.084	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65	142.8	176.2	-7	17.5	0	0	0	110.7	A387 M388 E554	A387-P550 HydrophobicContact CB-CB 4.32Å; A387-P550 HydrophobicContact CB-CG 3.65Å; M388-P550 HydrophobicContact CE-CG 4.41Å; P550-E554 HydrophobicContact CB-CB 4.2Å
551	P	92.4	Very high	90.3	Very high	10 Å²	10	45.7 Å²	45.7	7%	0.065	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.1	157.5	166.2	31	-35.9	0	0	0	111	R553 E554 R555 N597	P551-R553 HydrophobicContact CB-CG 4.13Å; P551-R553 VanDerWaalsContact CB-NH1 3.31Å; P551-R553 HydrophobicContact CG-CG 4.05Å; P551-R553 PolarHBondContact O-N 3.22Å; P551-E554 VanDerWaalsContact CD-CD 3.49Å; P551-E554 HydrophobicContact CG-CB 4.27Å; P551-E554 HydrophobicContact CG-CG 3.83Å; P551-E554 WeakPolarHBondContact CG-OE1 3.47Å; P551-E554 PolarHBondContact O-N 2.89Å; P551-R555 WeakPolarHBondContact O-CG 3.41Å; P551-N597 WeakPolarHBondContact CA-OD1 3.44Å; P551-N597 WeakPolarHBondContact CB-OD1 3.33Å
552	L	90.7	Very high	90.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.8	-28.2	-174.3	-176	58.4	0	0	0	113.3	E554 R555 I559 L562 W594 N597 V598 L601	L552-E554 VanDerWaalsContact C-N 3.3Å; L552-E554 PolarHBondContact O-N 2.94Å; L552-R555 HydrophobicContact CD1-CG 4.24Å; L552-R555 CarbonylContact O-C 3.57Å; L552-R555 WeakPolarHBondContact O-CG 3.27Å; L552-R555 PolarHBondContact O-N 2.95Å; L552-I559 HydrophobicContact CD1-CD1 4.34Å; L552-I559 HydrophobicContact CD1-CG1 3.57Å; L552-I559 HydrophobicContact CD2-CG1 4.29Å; L552-I559 HydrophobicContact CG-CD1 4.1Å; L552-I559 HydrophobicContact CG-CG1 3.81Å; L552-L562 HydrophobicContact CD1-CD1 3.79Å; L552-W594 HydrophobicContact CB-CB 4.11Å; L552-W594 HydrophobicContact CD2-CB 3.9Å; L552-W594 HydrophobicContact CD2-CD2 4.15Å; L552-W594 HydrophobicContact CD2-CG 3.69Å; L552-W594 HydrophobicContact CG-CB 4.26Å; L552-W594 HydrophobicContact CG-CG 4.18Å; L552-N597 HydrophobicContact CB-CB 4.25Å; L552-N597 PolarHBondContact N-OD1 3.45Å; L552-V598 HydrophobicContact CD1-CG2 4.35Å; L552-V598 HydrophobicContact CD2-CG2 4.49Å; L552-L601 HydrophobicContact CD2-CB 3.98Å; L552-L601 HydrophobicContact CD2-CD2 4Å
553	R	89	Confident	89.8	Confident	99 Å²	99	40.9 Å²	40.9	37%	0.374	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-66.9	-24.1	174.1	61.4	-169.5	-178.3	-90.8	-4.3	114.8	E410 P551 R555 E593	E410-R553 IonicContact OE1-CZ 2.64Å; E410-R553 IonicContact OE1-NH1 3.18Å; E410-R553 PolarHBondContact OE1-NH1 2.86Å; E410-R553 IonicContact OE1-NH2 2.88Å; E410-R553 PolarHBondContact OE1-NH2 3.1Å; E410-R553 IonicContact OE2-CZ 3.38Å; E410-R553 IonicContact OE2-NH1 2.76Å; E410-R553 PolarHBondContact OE2-NH1 3.49Å; E410-R553 IonicContact OE2-NH2 2.7Å; P551-R553 HydrophobicContact CB-CG 4.13Å; P551-R553 VanDerWaalsContact CB-NH1 3.31Å; P551-R553 HydrophobicContact CG-CG 4.05Å; P551-R553 PolarHBondContact O-N 3.22Å; R553-R555 VanDerWaalsContact C-N 3.29Å; R553-E593 WeakPolarHBondContact CB-O 3.41Å
554	E	88.7	Confident	89.5	Confident	122 Å²	122	44.4 Å²	44.4	57%	0.57	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-86.5	-2.2	177.1	-72.1	175	-155	0	0	112.8	P550 P551 L552	P550-E554 HydrophobicContact CB-CB 4.2Å; P551-E554 VanDerWaalsContact CD-CD 3.49Å; P551-E554 HydrophobicContact CG-CB 4.27Å; P551-E554 HydrophobicContact CG-CG 3.83Å; P551-E554 WeakPolarHBondContact CG-OE1 3.47Å; P551-E554 PolarHBondContact O-N 2.89Å; L552-E554 VanDerWaalsContact C-N 3.3Å; L552-E554 PolarHBondContact O-N 2.94Å
555	R	89	Confident	89	Confident	13 Å²	13	42 Å²	42	5%	0.049	21%	0.207	C	C	.	.			trans	-134.8	58	-179.2	48.3	134.9	91.3	126.7	147.4	111.1	S385 M388 P551 L552 R553 E557 D558	S385-R555 WeakPolarHBondContact OG-CB 3.49Å; M388-R555 PolarHBondContact SD-NH1 2.85Å; P551-R555 WeakPolarHBondContact O-CG 3.41Å; L552-R555 HydrophobicContact CD1-CG 4.24Å; L552-R555 CarbonylContact O-C 3.57Å; L552-R555 WeakPolarHBondContact O-CG 3.27Å; L552-R555 PolarHBondContact O-N 2.95Å; R553-R555 VanDerWaalsContact C-N 3.29Å; R555-E557 PolarHBondContact O-N 3.29Å; R555-D558 HydrophobicContact CB-CB 4.46Å; R555-D558 WeakPolarHBondContact CD-OD2 3.41Å; R555-D558 IonicContact NE-OD2 3.39Å; R555-D558 PolarHBondContact NE-OD2 2.91Å; R555-D558 PolarHBondContact O-N 3.39Å; R555-D558 VanDerWaalsContact O-N 3.13Å
556	P	85.7	Confident	88.6	Confident	43 Å²	43	40.6 Å²	40.6	28%	0.279	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.6	-175.5	28.1	-35.8	0	0	0	114	D558 I559 P560 S590	P556-D558 VanDerWaalsContact C-N 3.25Å; P556-D558 PolarHBondContact O-N 3.11Å; P556-I559 HydrophobicContact CB-CD1 4.46Å; P556-I559 PolarHBondContact O-N 2.97Å; P556-P560 VanDerWaalsContact O-CD 3.24Å; P556-P560 WeakPolarHBondContact O-CD 3.46Å; P556-S590 PolarHBondContact O-OG 2.98Å
557	E	85.5	Confident	88.2	Confident	118 Å²	118	38.6 Å²	38.6	55%	0.551	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.2	176.7	-54.9	78.2	-169	0	0	112.6	R555 P560	R555-E557 PolarHBondContact O-N 3.29Å; E557-P560 WeakPolarHBondContact O-CD 3.28Å
558	D	87.5	Confident	87.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-25.5	178.8	-65.6	-19.4	0	0	0	111.5	G383 R384 S385 R555 P556 L561 L562	G383-D558 WeakPolarHBondContact CA-OD1 3.23Å; R384-D558 PolarHBondContact N-OD1 3.4Å; S385-D558 WeakPolarHBondContact CB-OD2 3.32Å; S385-D558 PolarHBondContact N-OD1 3.01Å; S385-D558 PolarHBondContact OG-OD2 3.15Å; R555-D558 HydrophobicContact CB-CB 4.46Å; R555-D558 WeakPolarHBondContact CD-OD2 3.41Å; R555-D558 IonicContact NE-OD2 3.39Å; R555-D558 PolarHBondContact NE-OD2 2.91Å; R555-D558 PolarHBondContact O-N 3.39Å; R555-D558 VanDerWaalsContact O-N 3.13Å; P556-D558 VanDerWaalsContact C-N 3.25Å; P556-D558 PolarHBondContact O-N 3.11Å; D558-L561 WeakPolarHBondContact O-CB 3.45Å; D558-L561 PolarHBondContact O-N 3.5Å; D558-L561 VanDerWaalsContact O-N 3.09Å; D558-L562 HydrophobicContact CB-CD1 4.21Å; D558-L562 WeakPolarHBondContact O-CB 3.49Å; D558-L562 WeakPolarHBondContact O-CG 3.47Å; D558-L562 PolarHBondContact O-N 3.16Å
559	I	88.9	Confident	87.2	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-47.3	-176	-64.5	169.7	0	0	0	111.8	L552 P556 L561 L562 A563 L589 L601	L552-I559 HydrophobicContact CD1-CD1 4.34Å; L552-I559 HydrophobicContact CD1-CG1 3.57Å; L552-I559 HydrophobicContact CD2-CG1 4.29Å; L552-I559 HydrophobicContact CG-CD1 4.1Å; L552-I559 HydrophobicContact CG-CG1 3.81Å; P556-I559 HydrophobicContact CB-CD1 4.46Å; P556-I559 PolarHBondContact O-N 2.97Å; I559-L561 VanDerWaalsContact C-N 3.29Å; I559-L561 PolarHBondContact O-N 2.9Å; I559-L562 PolarHBondContact O-N 2.78Å; I559-A563 VanDerWaalsContact O-CB 3.25Å; I559-A563 WeakPolarHBondContact O-CB 3.49Å; I559-A563 PolarHBondContact O-N 2.96Å; I559-L589 HydrophobicContact CG2-CB 3.82Å; I559-L601 HydrophobicContact CG2-CD1 4.5Å; I559-L601 HydrophobicContact CG2-CD2 4.33Å
560	P	86.7	Confident	86.7	Confident	31 Å²	31	43.5 Å²	43.5	20%	0.201	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-33.9	176.9	-25.2	35.2	0	0	0	114	P556 E557 K564 L586	P556-P560 VanDerWaalsContact O-CD 3.24Å; P556-P560 WeakPolarHBondContact O-CD 3.46Å; E557-P560 WeakPolarHBondContact O-CD 3.28Å; P560-K564 WeakPolarHBondContact O-CB 3.46Å; P560-K564 VanDerWaalsContact O-CG 3.25Å; P560-K564 WeakPolarHBondContact O-CG 2.97Å; P560-K564 PolarHBondContact O-N 3.42Å; P560-K564 VanDerWaalsContact O-N 3.16Å; P560-L586 HydrophobicContact CB-CD2 4.3Å
561	L	85.7	Confident	86.3	Confident	48 Å²	48	43.1 Å²	43.1	25%	0.251	21%	0.205	S	C	.	.	H	α-helix	trans	-71.5	-46.9	178.9	-60.3	174.5	0	0	0	110.5	I382 R384 D558 I559 K564 A565	I382-L561 HydrophobicContact CG2-CB 3.95Å; R384-L561 HydrophobicContact CB-CD1 3.96Å; R384-L561 HydrophobicContact CG-CD1 3.59Å; D558-L561 WeakPolarHBondContact O-CB 3.45Å; D558-L561 PolarHBondContact O-N 3.5Å; D558-L561 VanDerWaalsContact O-N 3.09Å; I559-L561 VanDerWaalsContact C-N 3.29Å; I559-L561 PolarHBondContact O-N 2.9Å; L561-K564 PolarHBondContact O-N 3.44Å; L561-A565 WeakPolarHBondContact O-CB 3.43Å; L561-A565 PolarHBondContact O-N 3.31Å
562	L	87.7	Confident	85.7	Confident	10 Å²	10	51.2 Å²	51.2	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-47	175.2	-70.9	167.8	0	0	0	111.4	I382 L552 D558 I559 K564 A565 F566 V598 L601	I382-L562 HydrophobicContact CB-CD2 3.95Å; I382-L562 HydrophobicContact CG2-CD2 4.29Å; L552-L562 HydrophobicContact CD1-CD1 3.79Å; D558-L562 HydrophobicContact CB-CD1 4.21Å; D558-L562 WeakPolarHBondContact O-CB 3.49Å; D558-L562 WeakPolarHBondContact O-CG 3.47Å; D558-L562 PolarHBondContact O-N 3.16Å; I559-L562 PolarHBondContact O-N 2.78Å; L562-K564 VanDerWaalsContact C-N 3.35Å; L562-K564 PolarHBondContact O-N 3.38Å; L562-A565 PolarHBondContact O-N 2.81Å; L562-F566 HydrophobicContact CB-CD2 4.34Å; L562-F566 HydrophobicContact CB-CE2 3.98Å; L562-F566 HydrophobicContact CD2-CE2 4.22Å; L562-F566 HydrophobicContact CD2-CZ 4.02Å; L562-F566 WeakPolarHBondContact O-CB 3.37Å; L562-F566 VanDerWaalsContact O-CD2 3.23Å; L562-F566 WeakPolarHBondContact O-CD2 3.33Å; L562-F566 VanDerWaalsContact O-CG 3.26Å; L562-F566 WeakPolarHBondContact O-CG 3.46Å; L562-F566 PolarHBondContact O-N 2.97Å; L562-V598 HydrophobicContact CD1-CG1 4.49Å; L562-V598 HydrophobicContact CD1-CG2 4.33Å; L562-V598 HydrophobicContact CD2-CG1 4.38Å; L562-L601 HydrophobicContact CB-CD2 3.7Å; L562-L601 HydrophobicContact CD1-CD2 4.24Å
563	A	86.9	Confident	85.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-43.4	179.7	0	0	0	0	0	112	I559 T567 I581 L586 L589 I605	I559-A563 VanDerWaalsContact O-CB 3.25Å; I559-A563 WeakPolarHBondContact O-CB 3.49Å; I559-A563 PolarHBondContact O-N 2.96Å; A563-T567 VanDerWaalsContact O-CB 3.25Å; A563-T567 WeakPolarHBondContact O-CB 3.3Å; A563-T567 PolarHBondContact O-N 2.94Å; A563-T567 PolarHBondContact O-OG1 3.38Å; A563-I581 HydrophobicContact CB-CD1 4.44Å; A563-L586 HydrophobicContact CB-CD2 4.12Å; A563-L589 HydrophobicContact CB-CD1 4.11Å; A563-I605 HydrophobicContact CB-CD1 4.1Å
564	K	85.2	Confident	84.8	Confident	118 Å²	118	56.8 Å²	56.8	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-47.1	175.5	-74.8	174.5	-179.4	-175.9	0	111.7	P560 L561 L562 T567 F568 I581	P560-K564 WeakPolarHBondContact O-CB 3.46Å; P560-K564 VanDerWaalsContact O-CG 3.25Å; P560-K564 WeakPolarHBondContact O-CG 2.97Å; P560-K564 PolarHBondContact O-N 3.42Å; P560-K564 VanDerWaalsContact O-N 3.16Å; L561-K564 PolarHBondContact O-N 3.44Å; L562-K564 VanDerWaalsContact C-N 3.35Å; L562-K564 PolarHBondContact O-N 3.38Å; K564-T567 PolarHBondContact O-N 3.04Å; K564-F568 WeakPolarHBondContact O-CB 3.16Å; K564-F568 PolarHBondContact O-N 2.86Å; K564-I581 HydrophobicContact CG-CD1 4Å
565	A	81.6	Confident	84.4	Confident	24 Å²	24	54.3 Å²	54.3	20%	0.198	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-45.1	-179.3	0	0	0	0	0	112.4	I382 L561 L562 F568 K569	I382-A565 HydrophobicContact CD1-CB 3.3Å; L561-A565 WeakPolarHBondContact O-CB 3.43Å; L561-A565 PolarHBondContact O-N 3.31Å; L562-A565 PolarHBondContact O-N 2.81Å; A565-F568 PolarHBondContact O-N 3.19Å; A565-K569 VanDerWaalsContact O-CB 3.31Å; A565-K569 WeakPolarHBondContact O-CB 3.29Å; A565-K569 PolarHBondContact O-N 3.35Å
566	F	85.9	Confident	83.9	Confident	23 Å²	23	58.5 Å²	58.5	10%	0.101	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-43.2	175.3	-64.4	-33.5	0	0	0	111.7	L562 F568 K569 I570 V598 L601 E602 I605	L562-F566 HydrophobicContact CB-CD2 4.34Å; L562-F566 HydrophobicContact CB-CE2 3.98Å; L562-F566 HydrophobicContact CD2-CE2 4.22Å; L562-F566 HydrophobicContact CD2-CZ 4.02Å; L562-F566 WeakPolarHBondContact O-CB 3.37Å; L562-F566 VanDerWaalsContact O-CD2 3.23Å; L562-F566 WeakPolarHBondContact O-CD2 3.33Å; L562-F566 VanDerWaalsContact O-CG 3.26Å; L562-F566 WeakPolarHBondContact O-CG 3.46Å; L562-F566 PolarHBondContact O-N 2.97Å; F566-F568 VanDerWaalsContact C-N 3.34Å; F566-F568 PolarHBondContact O-N 3.32Å; F566-K569 PolarHBondContact O-N 2.97Å; F566-I570 HydrophobicContact CB-CD1 4.13Å; F566-I570 VanDerWaalsContact O-CB 3.24Å; F566-I570 WeakPolarHBondContact O-CB 3.23Å; F566-I570 WeakPolarHBondContact O-CD1 3.48Å; F566-I570 WeakPolarHBondContact O-CG1 3.36Å; F566-I570 PolarHBondContact O-N 3.45Å; F566-V598 HydrophobicContact CE2-CG1 3.83Å; F566-V598 HydrophobicContact CZ-CG1 3.56Å; F566-L601 HydrophobicContact CD2-CD2 4.42Å; F566-L601 HydrophobicContact CD2-CG 4.31Å; F566-L601 HydrophobicContact CE2-CD2 4.21Å; F566-L601 HydrophobicContact CE2-CG 4.33Å; F566-E602 HydrophobicContact CD1-CG 4.35Å; F566-E602 HydrophobicContact CD2-CB 4.17Å; F566-E602 HydrophobicContact CE2-CB 4.08Å; F566-E602 HydrophobicContact CG-CB 4.5Å; F566-E602 HydrophobicContact CG-CG 4.4Å; F566-E602 HydrophobicContact CZ-CB 4.33Å; F566-I605 HydrophobicContact CB-CB 4.33Å; F566-I605 HydrophobicContact CB-CG2 3.95Å
567	T	85.1	Confident	83.5	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-48.6	176.7	-59.8	0	0	0	0	110.4	A563 K564 A571 I578 I581 I605 V609 L617	A563-T567 VanDerWaalsContact O-CB 3.25Å; A563-T567 WeakPolarHBondContact O-CB 3.3Å; A563-T567 PolarHBondContact O-N 2.94Å; A563-T567 PolarHBondContact O-OG1 3.38Å; K564-T567 PolarHBondContact O-N 3.04Å; T567-A571 WeakPolarHBondContact O-CB 3.47Å; T567-A571 PolarHBondContact O-N 3.29Å; T567-I578 HydrophobicContact CG2-CB 4.13Å; T567-I578 HydrophobicContact CG2-CG2 3.71Å; T567-I581 HydrophobicContact CG2-CD1 4.41Å; T567-I581 HydrophobicContact CG2-CG1 4.47Å; T567-I581 WeakPolarHBondContact OG1-CD1 3.4Å; T567-I605 WeakPolarHBondContact OG1-CG2 3.4Å; T567-V609 HydrophobicContact CG2-CG2 4.31Å; T567-L617 HydrophobicContact CG2-CD1 4.29Å
568	F	82.6	Confident	83.1	Confident	104 Å²	104	57.6 Å²	57.6	46%	0.456	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-49.8	178.3	-178.2	-102.3	0	0	0	112.4	K564 A565 F566 I570 R572	K564-F568 WeakPolarHBondContact O-CB 3.16Å; K564-F568 PolarHBondContact O-N 2.86Å; A565-F568 PolarHBondContact O-N 3.19Å; F566-F568 VanDerWaalsContact C-N 3.34Å; F566-F568 PolarHBondContact O-N 3.32Å; F568-I570 PolarHBondContact O-N 3.21Å; F568-R572 VanDerWaalsContact O-CB 3.31Å; F568-R572 WeakPolarHBondContact O-CB 3.45Å; F568-R572 PolarHBondContact O-N 2.76Å
569	K	82.2	Confident	82.5	Confident	129 Å²	129	63.3 Å²	63.3	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-61	-44.9	-179.3	-175.2	-179.6	-179.6	-176.6	0	112	A565 F566 R573	A565-K569 VanDerWaalsContact O-CB 3.31Å; A565-K569 WeakPolarHBondContact O-CB 3.29Å; A565-K569 PolarHBondContact O-N 3.35Å; F566-K569 PolarHBondContact O-N 2.97Å; K569-R573 WeakPolarHBondContact O-CB 3.4Å; K569-R573 PolarHBondContact O-N 3.03Å; K569-R573 VanDerWaalsContact O-N 3.12Å
570	I	83	Confident	81.9	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-75.5	-41.9	-177.2	-63.4	162.3	0	0	0	110.7	F566 F568 R572 R573 L574 E602 I605 E606 V609	F566-I570 HydrophobicContact CB-CD1 4.13Å; F566-I570 VanDerWaalsContact O-CB 3.24Å; F566-I570 WeakPolarHBondContact O-CB 3.23Å; F566-I570 WeakPolarHBondContact O-CD1 3.48Å; F566-I570 WeakPolarHBondContact O-CG1 3.36Å; F566-I570 PolarHBondContact O-N 3.45Å; F568-I570 PolarHBondContact O-N 3.21Å; I570-R572 VanDerWaalsContact C-N 3.35Å; I570-R572 PolarHBondContact O-N 2.84Å; I570-R573 PolarHBondContact O-N 3.07Å; I570-L574 HydrophobicContact CG2-CD1 3.7Å; I570-L574 HydrophobicContact CG2-CG 4.29Å; I570-L574 WeakPolarHBondContact O-CB 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.41Å; I570-L574 PolarHBondContact O-N 3.26Å; I570-E602 HydrophobicContact CD1-CG 4.46Å; I570-I605 HydrophobicContact CD1-CG2 4.21Å; I570-E606 HydrophobicContact CD1-CB 3.94Å; I570-E606 HydrophobicContact CG2-CB 4.47Å; I570-E606 HydrophobicContact CG2-CG 4.24Å; I570-V609 HydrophobicContact CG2-CB 4.17Å; I570-V609 HydrophobicContact CG2-CG1 4.1Å; I570-V609 HydrophobicContact CG2-CG2 4.28Å
571	A	82.7	Confident	81.7	Confident	4 Å²	4	65.6 Å²	65.6	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-44.9	177	0	0	0	0	0	111	T567 R573 L574 G575 R576 I578 V609	T567-A571 WeakPolarHBondContact O-CB 3.47Å; T567-A571 PolarHBondContact O-N 3.29Å; A571-R573 PolarHBondContact O-N 3.41Å; A571-L574 CarbonylContact O-C 3.49Å; A571-L574 PolarHBondContact O-N 2.96Å; A571-G575 PolarHBondContact O-N 3.33Å; A571-R576 CarbonylContact C-O 3.59Å; A571-R576 WeakPolarHBondContact CB-O 3.49Å; A571-R576 PolarHBondContact O-N 2.93Å; A571-I578 HydrophobicContact CB-CB 4.37Å; A571-I578 HydrophobicContact CB-CD1 4.4Å; A571-I578 HydrophobicContact CB-CG1 4.41Å; A571-V609 HydrophobicContact CB-CG1 4.35Å
572	R	80.1	Confident	81.5	Confident	180 Å²	180	65.5 Å²	65.5	68%	0.679	33%	0.326	S	S	*	.	H	α-helix	trans	-60.2	-44.8	173.9	-172.4	178.5	179.5	176.4	3.6	112.2	F568 I570 L574 G575	F568-R572 VanDerWaalsContact O-CB 3.31Å; F568-R572 WeakPolarHBondContact O-CB 3.45Å; F568-R572 PolarHBondContact O-N 2.76Å; I570-R572 VanDerWaalsContact C-N 3.35Å; I570-R572 PolarHBondContact O-N 2.84Å; R572-L574 VanDerWaalsContact C-N 3.28Å; R572-L574 PolarHBondContact O-N 3.36Å; R572-G575 PolarHBondContact O-N 3.33Å
573	R	78.2	Confident	81.2	Confident	150 Å²	150	67.9 Å²	67.9	57%	0.566	35%	0.348	S	S	*	.	H	α-helix	trans	-60.9	-36.5	177	-176.4	176.5	72.3	-169.3	2.2	112.5	K569 I570 A571 E606	K569-R573 WeakPolarHBondContact O-CB 3.4Å; K569-R573 PolarHBondContact O-N 3.03Å; K569-R573 VanDerWaalsContact O-N 3.12Å; I570-R573 PolarHBondContact O-N 3.07Å; A571-R573 PolarHBondContact O-N 3.41Å; R573-E606 IonicContact CZ-OE1 3.6Å; R573-E606 IonicContact NH2-OE1 3.66Å; R573-E606 PolarHBondContact NH2-OE1 3.17Å; R573-E606 IonicContact NH2-OE2 3.55Å
574	L	82.9	Confident	80.8	Confident	67 Å²	67	75.1 Å²	75.1	35%	0.351	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.1	-179.4	-64.7	174.9	0	0	0	113.4	I570 A571 R572 R576 V609 L610	I570-L574 HydrophobicContact CG2-CD1 3.7Å; I570-L574 HydrophobicContact CG2-CG 4.29Å; I570-L574 WeakPolarHBondContact O-CB 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.41Å; I570-L574 PolarHBondContact O-N 3.26Å; A571-L574 CarbonylContact O-C 3.49Å; A571-L574 PolarHBondContact O-N 2.96Å; R572-L574 VanDerWaalsContact C-N 3.28Å; R572-L574 PolarHBondContact O-N 3.36Å; L574-R576 VanDerWaalsContact C-N 3.29Å; L574-R576 PolarHBondContact O-N 2.85Å; L574-V609 HydrophobicContact CD1-CG1 3.81Å; L574-L610 HydrophobicContact CD1-CD2 3.78Å; L574-L610 HydrophobicContact CD1-CG 4.17Å; L574-L610 HydrophobicContact CD2-CD2 4.47Å
575	G	79	Confident	80.7	Confident	69 Å²	69	70.5 Å²	70.5	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	30.8	-177.7	0	0	0	0	0	113.9	A571 R572	A571-G575 PolarHBondContact O-N 3.33Å; R572-G575 PolarHBondContact O-N 3.33Å
576	R	78.2	Confident	80.9	Confident	102 Å²	102	70.4 Å²	70.4	39%	0.385	36%	0.359	S	S	.	.			trans	-107.9	146.1	176.6	-67	-167.5	174.4	-160.5	1.4	110.8	A571 L574 V609 L610 T612	A571-R576 CarbonylContact C-O 3.59Å; A571-R576 WeakPolarHBondContact CB-O 3.49Å; A571-R576 PolarHBondContact O-N 2.93Å; L574-R576 VanDerWaalsContact C-N 3.29Å; L574-R576 PolarHBondContact O-N 2.85Å; R576-V609 PolarHBondContact NH1-O 3.18Å; R576-L610 PolarHBondContact NH1-O 3.26Å; R576-L610 PolarHBondContact NH2-O 2.83Å; R576-T612 PolarHBondContact NH1-O 3.46Å
577	N	77.3	Confident	80.8	Confident	119 Å²	119	77.7 Å²	77.7	64%	0.636	39%	0.386	S	S	*	.			trans	-100.9	107	172.9	-67.8	-5.3	0	0	0	109.1	N615	N577-N615 WeakPolarHBondContact O-CA 3.38Å
578	I	76.7	Confident	80.9	Confident	22 Å²	22	79.7 Å²	79.7	11%	0.113	40%	0.399	C	S	.	.			trans	-117.8	105.9	172.5	-62.7	176.6	0	0	0	107	T567 A571 V609 N615 L617	T567-I578 HydrophobicContact CG2-CB 4.13Å; T567-I578 HydrophobicContact CG2-CG2 3.71Å; A571-I578 HydrophobicContact CB-CB 4.37Å; A571-I578 HydrophobicContact CB-CD1 4.4Å; A571-I578 HydrophobicContact CB-CG1 4.41Å; I578-V609 HydrophobicContact CD1-CB 4.05Å; I578-V609 HydrophobicContact CD1-CG1 3.74Å; I578-V609 HydrophobicContact CD1-CG2 3.87Å; I578-N615 CarbonylContact C-O 3.52Å; I578-N615 WeakPolarHBondContact CA-O 3.14Å; I578-L617 HydrophobicContact CD1-CD1 3.97Å; I578-L617 HydrophobicContact CG2-CB 4Å; I578-L617 HydrophobicContact CG2-CD1 4.44Å
579	D	76.1	Confident	81.1	Confident	121 Å²	121	74.8 Å²	74.8	65%	0.647	38%	0.377	S	S	*	.			trans	-92.3	-20.5	-170.6	-53.9	-37.1	0	0	0	111.9	N615	D579-N615 PolarHBondContact N-O 3.08Å; D579-N615 PolarHBondContact OD2-ND2 3.35Å
580	S	76.9	Confident	81.4	Confident	54 Å²	54	69.9 Å²	69.9	38%	0.378	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-146	144.2	-174.9	64.5	0	0	0	0	114.1	N615 V616 L617	S580-N615 PolarHBondContact N-O 3.14Å; S580-V616 WeakPolarHBondContact O-CA 3.32Å; S580-L617 PolarHBondContact O-N 2.92Å
581	I	81.1	Confident	81.6	Confident	26 Å²	26	76.6 Å²	76.6	13%	0.133	40%	0.395	C	S	.	.			trans	-111.4	124.5	167.2	-52.9	176.3	0	0	0	106.4	A563 K564 T567 T585 L586 L617	A563-I581 HydrophobicContact CB-CD1 4.44Å; K564-I581 HydrophobicContact CG-CD1 4Å; T567-I581 HydrophobicContact CG2-CD1 4.41Å; T567-I581 HydrophobicContact CG2-CG1 4.47Å; T567-I581 WeakPolarHBondContact OG1-CD1 3.4Å; I581-T585 HydrophobicContact CG2-CG2 3.77Å; I581-L586 HydrophobicContact CB-CD2 4.26Å; I581-L586 HydrophobicContact CB-CG 4.31Å; I581-L586 HydrophobicContact CD1-CD2 4.26Å; I581-L586 HydrophobicContact CG2-CD2 3.71Å; I581-L586 HydrophobicContact CG2-CG 3.79Å; I581-L617 HydrophobicContact CD1-CD2 4.24Å; I581-L617 HydrophobicContact CG1-CB 4.17Å; I581-L617 HydrophobicContact CG1-CD2 4.04Å; I581-L617 HydrophobicContact CG2-CD2 4.14Å
582	P	82.8	Confident	81.7	Confident	45 Å²	45	77.7 Å²	77.7	29%	0.292	40%	0.399	S	S	.	.			trans	-57.1	143	178.2	-21.8	30.4	0	0	0	112.1	E584 T585 L586 V616 L617	P582-E584 PolarHBondContact O-N 3.24Å; P582-T585 WeakPolarHBondContact CB-OG1 3.27Å; P582-T585 WeakPolarHBondContact CG-OG1 3.5Å; P582-T585 WeakPolarHBondContact O-CB 3.47Å; P582-T585 PolarHBondContact O-N 2.82Å; P582-T585 VanDerWaalsContact O-N 3.12Å; P582-L586 PolarHBondContact O-N 3.26Å; P582-L586 VanDerWaalsContact O-N 3.12Å; P582-V616 HydrophobicContact CG-CG1 3.66Å; P582-L617 VanDerWaalsContact CD-O 3.32Å; P582-L617 WeakPolarHBondContact CD-O 3.16Å
583	A	80.2	Confident	82	Confident	61 Å²	61	76.1 Å²	76.1	50%	0.504	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-34	-180	0	0	0	0	0	112.4	L586 R587	A583-L586 PolarHBondContact O-N 3.44Å; A583-R587 WeakPolarHBondContact O-CG 3.45Å; A583-R587 PolarHBondContact O-N 3.4Å
584	E	79.3	Confident	82.5	Confident	151 Å²	151	69.2 Å²	69.2	71%	0.706	37%	0.374	S	S	*	.	H	α-helix	trans	-63.9	-41.5	174.7	-173.4	175.4	-170.9	0	0	112	P582 L586 R587 T588	P582-E584 PolarHBondContact O-N 3.24Å; E584-L586 PolarHBondContact O-N 2.9Å; E584-R587 PolarHBondContact O-N 2.88Å; E584-T588 WeakPolarHBondContact O-CB 3.16Å; E584-T588 PolarHBondContact O-N 3.08Å; E584-T588 PolarHBondContact O-OG1 3.17Å
585	T	83.2	Confident	82.7	Confident	21 Å²	21	70.4 Å²	70.4	13%	0.129	39%	0.386	C	S	.	.	H	α-helix	trans	-57.8	-47.4	173.6	-56.1	0	0	0	0	111.1	I581 P582 T588 L589 L619	I581-T585 HydrophobicContact CG2-CG2 3.77Å; P582-T585 WeakPolarHBondContact CB-OG1 3.27Å; P582-T585 WeakPolarHBondContact CG-OG1 3.5Å; P582-T585 WeakPolarHBondContact O-CB 3.47Å; P582-T585 PolarHBondContact O-N 2.82Å; P582-T585 VanDerWaalsContact O-N 3.12Å; T585-T588 PolarHBondContact O-N 3.23Å; T585-L589 WeakPolarHBondContact O-CG 3.26Å; T585-L589 PolarHBondContact O-N 2.83Å; T585-L619 HydrophobicContact CG2-CB 4.13Å; T585-L619 HydrophobicContact CG2-CD1 3.15Å; T585-L619 HydrophobicContact CG2-CG 3.46Å; T585-L619 VanDerWaalsContact CG2-CG 3.46Å
586	L	85.7	Confident	83.1	Confident	23 Å²	23	68.1 Å²	68.1	12%	0.12	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-42.6	177.5	-66.9	175.4	0	0	0	112.4	P560 A563 I581 P582 A583 E584 T588 L589 S590	P560-L586 HydrophobicContact CB-CD2 4.3Å; A563-L586 HydrophobicContact CB-CD2 4.12Å; I581-L586 HydrophobicContact CB-CD2 4.26Å; I581-L586 HydrophobicContact CB-CG 4.31Å; I581-L586 HydrophobicContact CD1-CD2 4.26Å; I581-L586 HydrophobicContact CG2-CD2 3.71Å; I581-L586 HydrophobicContact CG2-CG 3.79Å; P582-L586 PolarHBondContact O-N 3.26Å; P582-L586 VanDerWaalsContact O-N 3.12Å; A583-L586 PolarHBondContact O-N 3.44Å; E584-L586 PolarHBondContact O-N 2.9Å; L586-T588 VanDerWaalsContact C-N 3.3Å; L586-T588 PolarHBondContact O-N 3.1Å; L586-L589 PolarHBondContact O-N 2.91Å; L586-S590 PolarHBondContact O-N 3.48Å; L586-S590 PolarHBondContact O-OG 2.89Å
587	R	84.7	Confident	83.7	Confident	176 Å²	176	63.3 Å²	63.3	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-61.4	-41	175.5	-71.1	175.4	-167.7	166.8	3.4	111.8	A583 E584 S590 N591	A583-R587 WeakPolarHBondContact O-CG 3.45Å; A583-R587 PolarHBondContact O-N 3.4Å; E584-R587 PolarHBondContact O-N 2.88Å; R587-S590 PolarHBondContact O-N 2.79Å; R587-N591 PolarHBondContact O-N 2.74Å
588	T	85.7	Confident	84.3	Confident	47 Å²	47	58.7 Å²	58.7	29%	0.288	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-48.1	178	-54	0	0	0	0	110.4	E584 T585 L586 S590 N591 M592 L621	E584-T588 WeakPolarHBondContact O-CB 3.16Å; E584-T588 PolarHBondContact O-N 3.08Å; E584-T588 PolarHBondContact O-OG1 3.17Å; T585-T588 PolarHBondContact O-N 3.23Å; L586-T588 VanDerWaalsContact C-N 3.3Å; L586-T588 PolarHBondContact O-N 3.1Å; T588-S590 VanDerWaalsContact C-N 3.3Å; T588-S590 PolarHBondContact O-N 3.49Å; T588-N591 PolarHBondContact O-N 3.22Å; T588-M592 WeakPolarHBondContact O-CG 3.47Å; T588-L621 HydrophobicContact CG2-CD1 4.01Å
589	L	87.6	Confident	85	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-39.6	175.9	-67.6	171.2	0	0	0	112.3	I559 A563 T585 L586 N591 M592 W594 L601 I605 L619	I559-L589 HydrophobicContact CG2-CB 3.82Å; A563-L589 HydrophobicContact CB-CD1 4.11Å; T585-L589 WeakPolarHBondContact O-CG 3.26Å; T585-L589 PolarHBondContact O-N 2.83Å; L586-L589 PolarHBondContact O-N 2.91Å; L589-N591 VanDerWaalsContact C-N 3.27Å; L589-N591 PolarHBondContact O-N 3.04Å; L589-M592 PolarHBondContact O-N 2.93Å; L589-W594 HydrophobicContact CB-CZ2 4.1Å; L589-W594 HydrophobicContact CD2-CH2 3.57Å; L589-W594 HydrophobicContact CD2-CZ2 3.45Å; L589-W594 VanDerWaalsContact CD2-CZ2 3.45Å; L589-W594 HydrophobicContact CG-CZ2 4.38Å; L589-W594 PolarHBondContact O-NE1 2.84Å; L589-L601 HydrophobicContact CD2-CD1 4.31Å; L589-I605 HydrophobicContact CD1-CD1 4.18Å; L589-L619 HydrophobicContact CD1-CD1 4Å; L589-L619 HydrophobicContact CD2-CD1 3.6Å; L589-L619 HydrophobicContact CD2-CD2 4.45Å; L589-L619 HydrophobicContact CG-CD1 3.69Å
590	S	87.5	Confident	85.7	Confident	26 Å²	26	60.3 Å²	60.3	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-23.7	179.2	-72.6	0	0	0	0	114.2	P556 L586 R587 T588	P556-S590 PolarHBondContact O-OG 2.98Å; L586-S590 PolarHBondContact O-N 3.48Å; L586-S590 PolarHBondContact O-OG 2.89Å; R587-S590 PolarHBondContact O-N 2.79Å; T588-S590 VanDerWaalsContact C-N 3.3Å; T588-S590 PolarHBondContact O-N 3.49Å
591	N	87.1	Confident	86.3	Confident	144 Å²	144	57.8 Å²	57.8	77%	0.77	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.5	-179.6	-70	-16	0	0	0	113.7	R587 T588 L589	R587-N591 PolarHBondContact O-N 2.74Å; T588-N591 PolarHBondContact O-N 3.22Å; L589-N591 VanDerWaalsContact C-N 3.27Å; L589-N591 PolarHBondContact O-N 3.04Å
592	M	85.2	Confident	86.7	Confident	27 Å²	27	59.3 Å²	59.3	13%	0.133	31%	0.306	C	S	.	.	S	Bend	trans	-87.7	153.6	-178.9	-67.5	175.5	76.1	0	0	112.1	T588 L589 W594 L621 I624	T588-M592 WeakPolarHBondContact O-CG 3.47Å; L589-M592 PolarHBondContact O-N 2.93Å; M592-W594 HydrophobicContact CB-CD2 4.46Å; M592-W594 HydrophobicContact CB-CZ2 4.16Å; M592-W594 HydrophobicContact SD-CH2 4.27Å; M592-W594 HydrophobicContact SD-CZ2 3.96Å; M592-L621 HydrophobicContact CE-CD2 4.23Å; M592-L621 HydrophobicContact SD-CD2 4.11Å; M592-I624 HydrophobicContact CE-CD1 3.52Å; M592-I624 HydrophobicContact CE-CG2 4.19Å
593	E	86.1	Confident	87	Confident	148 Å²	148	61.9 Å²	61.9	69%	0.692	32%	0.318	S	S	*	.			trans	-81	-22.8	-174.8	-62.9	-169.9	154	0	0	114.9	R553	R553-E593 WeakPolarHBondContact CB-O 3.41Å
594	W	90.3	Very high	87.4	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.015	30%	0.297	C	S	.	.			trans	48.1	66.6	178.5	-59.1	106.2	0	0	0	114.7	L552 L589 M592 G596 N597 E600 L601 V604	L552-W594 HydrophobicContact CB-CB 4.11Å; L552-W594 HydrophobicContact CD2-CB 3.9Å; L552-W594 HydrophobicContact CD2-CD2 4.15Å; L552-W594 HydrophobicContact CD2-CG 3.69Å; L552-W594 HydrophobicContact CG-CB 4.26Å; L552-W594 HydrophobicContact CG-CG 4.18Å; L589-W594 HydrophobicContact CB-CZ2 4.1Å; L589-W594 HydrophobicContact CD2-CH2 3.57Å; L589-W594 HydrophobicContact CD2-CZ2 3.45Å; L589-W594 VanDerWaalsContact CD2-CZ2 3.45Å; L589-W594 HydrophobicContact CG-CZ2 4.38Å; L589-W594 PolarHBondContact O-NE1 2.84Å; M592-W594 HydrophobicContact CB-CD2 4.46Å; M592-W594 HydrophobicContact CB-CZ2 4.16Å; M592-W594 HydrophobicContact SD-CH2 4.27Å; M592-W594 HydrophobicContact SD-CZ2 3.96Å; W594-G596 PolarHBondContact O-N 3.22Å; W594-N597 WeakPolarHBondContact O-CA 3.33Å; W594-N597 PolarHBondContact O-N 3.43Å; W594-E600 WeakPolarHBondContact CA-OE2 3.41Å; W594-E600 HydrophobicContact CE3-CB 4.18Å; W594-E600 HydrophobicContact CE3-CG 3.86Å; W594-E600 HydrophobicContact CZ3-CG 4.03Å; W594-L601 HydrophobicContact CE3-CB 4.15Å; W594-L601 HydrophobicContact CH2-CB 4.46Å; W594-L601 HydrophobicContact CH2-CD1 3.61Å; W594-L601 HydrophobicContact CZ2-CD1 3.7Å; W594-L601 HydrophobicContact CZ3-CB 4.11Å; W594-L601 HydrophobicContact CZ3-CD1 4.12Å; W594-V604 HydrophobicContact CH2-CB 4.34Å; W594-V604 HydrophobicContact CH2-CG1 4.32Å; W594-V604 HydrophobicContact CH2-CG2 4.36Å; W594-V604 HydrophobicContact CZ3-CB 4.25Å; W594-V604 HydrophobicContact CZ3-CG2 3.92Å
595	P	86.6	Confident	87.8	Confident	93 Å²	93	52.4 Å²	52.4	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.5	178.2	25.3	-35.9	0	0	0	113.9	N597 E600	P595-N597 VanDerWaalsContact C-N 3.32Å; P595-E600 WeakPolarHBondContact CD-OE2 3.31Å; P595-E600 WeakPolarHBondContact CG-OE2 3.19Å
596	G	86.7	Confident	88.1	Confident	21 Å²	21	54.1 Å²	54.1	22%	0.216	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.3	172.4	0	0	0	0	0	113.9	W594 R599 E600	W594-G596 PolarHBondContact O-N 3.22Å; G596-R599 PolarHBondContact O-N 3.26Å; G596-E600 WeakPolarHBondContact CA-OE2 3.45Å; G596-E600 PolarHBondContact N-OE2 3.08Å; G596-E600 PolarHBondContact O-N 3.46Å
597	N	91.8	Very high	88.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	52.2	-134.9	176.4	-67.5	-74.5	0	0	0	112.6	E410 T411 T413 P551 L552 W594 P595 R599 E600 L601	E410-N597 VanDerWaalsContact CB-ND2 3.35Å; E410-N597 WeakPolarHBondContact CB-ND2 3.4Å; E410-N597 PolarHBondContact OE2-ND2 3.42Å; T411-N597 PolarHBondContact O-ND2 2.77Å; T413-N597 HydrophobicContact CG2-CB 3.96Å; P551-N597 WeakPolarHBondContact CA-OD1 3.44Å; P551-N597 WeakPolarHBondContact CB-OD1 3.33Å; L552-N597 HydrophobicContact CB-CB 4.25Å; L552-N597 PolarHBondContact N-OD1 3.45Å; W594-N597 WeakPolarHBondContact O-CA 3.33Å; W594-N597 PolarHBondContact O-N 3.43Å; P595-N597 VanDerWaalsContact C-N 3.32Å; N597-R599 VanDerWaalsContact C-N 3.32Å; N597-R599 PolarHBondContact O-N 3.27Å; N597-E600 PolarHBondContact O-N 2.95Å; N597-L601 PolarHBondContact O-N 3.16Å; N597-L601 VanDerWaalsContact O-N 3.15Å
598	V	89.9	Confident	88.2	Confident	22 Å²	22	49.6 Å²	49.6	13%	0.133	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-33	-173.9	-175.5	0	0	0	0	111.8	G412 L552 L562 F566 L601 E602	G412-V598 WeakPolarHBondContact O-CB 3.38Å; G412-V598 PolarHBondContact O-N 2.93Å; L552-V598 HydrophobicContact CD1-CG2 4.35Å; L552-V598 HydrophobicContact CD2-CG2 4.49Å; L562-V598 HydrophobicContact CD1-CG1 4.49Å; L562-V598 HydrophobicContact CD1-CG2 4.33Å; L562-V598 HydrophobicContact CD2-CG1 4.38Å; F566-V598 HydrophobicContact CE2-CG1 3.83Å; F566-V598 HydrophobicContact CZ-CG1 3.56Å; V598-L601 PolarHBondContact O-N 3.42Å; V598-E602 PolarHBondContact O-N 3Å
599	R	89.9	Confident	88.2	Confident	130 Å²	130	47.4 Å²	47.4	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-39.7	175.9	-75.8	-176.6	-176.6	160.8	-1.1	112.2	G412 G596 N597 N603	G412-R599 PolarHBondContact O-N 2.92Å; G596-R599 PolarHBondContact O-N 3.26Å; N597-R599 VanDerWaalsContact C-N 3.32Å; N597-R599 PolarHBondContact O-N 3.27Å; R599-N603 PolarHBondContact O-N 2.99Å; R599-N603 VanDerWaalsContact O-N 3.1Å; R599-N603 PolarHBondContact O-ND2 2.9Å
600	E	90.6	Very high	88.1	Confident	48 Å²	48	51.7 Å²	51.7	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-44.6	175.6	-176.8	-178.8	-169.3	0	0	111.3	W594 P595 G596 N597 E602 N603 V604	W594-E600 WeakPolarHBondContact CA-OE2 3.41Å; W594-E600 HydrophobicContact CE3-CB 4.18Å; W594-E600 HydrophobicContact CE3-CG 3.86Å; W594-E600 HydrophobicContact CZ3-CG 4.03Å; P595-E600 WeakPolarHBondContact CD-OE2 3.31Å; P595-E600 WeakPolarHBondContact CG-OE2 3.19Å; G596-E600 WeakPolarHBondContact CA-OE2 3.45Å; G596-E600 PolarHBondContact N-OE2 3.08Å; G596-E600 PolarHBondContact O-N 3.46Å; N597-E600 PolarHBondContact O-N 2.95Å; E600-E602 VanDerWaalsContact C-N 3.33Å; E600-E602 PolarHBondContact O-N 3.01Å; E600-N603 PolarHBondContact O-N 3.18Å; E600-V604 HydrophobicContact CG-CG2 4.43Å; E600-V604 WeakPolarHBondContact O-CG2 3.34Å; E600-V604 PolarHBondContact O-N 2.85Å
601	L	90.5	Very high	87.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-47.1	175.2	178.4	64	0	0	0	111.4	L552 I559 L562 F566 L589 W594 N597 V598 N603 V604 I605	L552-L601 HydrophobicContact CD2-CB 3.98Å; L552-L601 HydrophobicContact CD2-CD2 4Å; I559-L601 HydrophobicContact CG2-CD1 4.5Å; I559-L601 HydrophobicContact CG2-CD2 4.33Å; L562-L601 HydrophobicContact CB-CD2 3.7Å; L562-L601 HydrophobicContact CD1-CD2 4.24Å; F566-L601 HydrophobicContact CD2-CD2 4.42Å; F566-L601 HydrophobicContact CD2-CG 4.31Å; F566-L601 HydrophobicContact CE2-CD2 4.21Å; F566-L601 HydrophobicContact CE2-CG 4.33Å; L589-L601 HydrophobicContact CD2-CD1 4.31Å; W594-L601 HydrophobicContact CE3-CB 4.15Å; W594-L601 HydrophobicContact CH2-CB 4.46Å; W594-L601 HydrophobicContact CH2-CD1 3.61Å; W594-L601 HydrophobicContact CZ2-CD1 3.7Å; W594-L601 HydrophobicContact CZ3-CB 4.11Å; W594-L601 HydrophobicContact CZ3-CD1 4.12Å; N597-L601 PolarHBondContact O-N 3.16Å; N597-L601 VanDerWaalsContact O-N 3.15Å; V598-L601 PolarHBondContact O-N 3.42Å; L601-N603 PolarHBondContact O-N 3.31Å; L601-V604 PolarHBondContact O-N 3.23Å; L601-I605 HydrophobicContact CD1-CG1 4.13Å; L601-I605 HydrophobicContact CG-CG1 4.47Å; L601-I605 VanDerWaalsContact O-CG1 3.28Å; L601-I605 WeakPolarHBondContact O-CG1 3.22Å; L601-I605 PolarHBondContact O-N 3.11Å
602	E	89.6	Confident	87.6	Confident	58 Å²	58	48.1 Å²	48.1	27%	0.271	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-47.1	176.8	-173.3	174.9	-166.1	0	0	111.5	F566 I570 V598 E600 V604 I605 E606	F566-E602 HydrophobicContact CD1-CG 4.35Å; F566-E602 HydrophobicContact CD2-CB 4.17Å; F566-E602 HydrophobicContact CE2-CB 4.08Å; F566-E602 HydrophobicContact CG-CB 4.5Å; F566-E602 HydrophobicContact CG-CG 4.4Å; F566-E602 HydrophobicContact CZ-CB 4.33Å; I570-E602 HydrophobicContact CD1-CG 4.46Å; V598-E602 PolarHBondContact O-N 3Å; E600-E602 VanDerWaalsContact C-N 3.33Å; E600-E602 PolarHBondContact O-N 3.01Å; E602-V604 PolarHBondContact O-N 2.93Å; E602-I605 PolarHBondContact O-N 2.88Å; E602-E606 WeakPolarHBondContact O-CB 3.41Å; E602-E606 PolarHBondContact O-N 2.98Å
603	N	89.2	Confident	87.3	Confident	100 Å²	100	57.7 Å²	57.7	54%	0.535	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-39.5	178.3	-69.7	-20.6	0	0	0	112.9	R599 E600 L601 E606 R607	R599-N603 PolarHBondContact O-N 2.99Å; R599-N603 VanDerWaalsContact O-N 3.1Å; R599-N603 PolarHBondContact O-ND2 2.9Å; E600-N603 PolarHBondContact O-N 3.18Å; L601-N603 PolarHBondContact O-N 3.31Å; N603-E606 PolarHBondContact O-N 3.33Å; N603-R607 PolarHBondContact O-N 3.09Å; N603-R607 VanDerWaalsContact O-N 3.08Å
604	V	88.8	Confident	86.9	Confident	12 Å²	12	53 Å²	53	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-44.1	177.5	169.6	0	0	0	0	110.6	W594 E600 L601 E602 R607 A608 L619	W594-V604 HydrophobicContact CH2-CB 4.34Å; W594-V604 HydrophobicContact CH2-CG1 4.32Å; W594-V604 HydrophobicContact CH2-CG2 4.36Å; W594-V604 HydrophobicContact CZ3-CB 4.25Å; W594-V604 HydrophobicContact CZ3-CG2 3.92Å; E600-V604 HydrophobicContact CG-CG2 4.43Å; E600-V604 WeakPolarHBondContact O-CG2 3.34Å; E600-V604 PolarHBondContact O-N 2.85Å; L601-V604 PolarHBondContact O-N 3.23Å; E602-V604 PolarHBondContact O-N 2.93Å; V604-R607 PolarHBondContact O-N 3.27Å; V604-A608 WeakPolarHBondContact O-CB 3.23Å; V604-A608 PolarHBondContact O-N 2.67Å; V604-L619 HydrophobicContact CG1-CD2 3.9Å
605	I	88.3	Confident	86.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-42.9	176.7	-64.5	-64.5	0	0	0	110.7	A563 F566 T567 I570 L589 L601 E602 R607 A608 V609 L617	A563-I605 HydrophobicContact CB-CD1 4.1Å; F566-I605 HydrophobicContact CB-CB 4.33Å; F566-I605 HydrophobicContact CB-CG2 3.95Å; T567-I605 WeakPolarHBondContact OG1-CG2 3.4Å; I570-I605 HydrophobicContact CD1-CG2 4.21Å; L589-I605 HydrophobicContact CD1-CD1 4.18Å; L601-I605 HydrophobicContact CD1-CG1 4.13Å; L601-I605 HydrophobicContact CG-CG1 4.47Å; L601-I605 VanDerWaalsContact O-CG1 3.28Å; L601-I605 WeakPolarHBondContact O-CG1 3.22Å; L601-I605 PolarHBondContact O-N 3.11Å; E602-I605 PolarHBondContact O-N 2.88Å; I605-R607 VanDerWaalsContact C-N 3.32Å; I605-R607 PolarHBondContact O-N 3.25Å; I605-A608 WeakPolarHBondContact O-CB 3.34Å; I605-A608 PolarHBondContact O-N 3.17Å; I605-A608 VanDerWaalsContact O-N 3.09Å; I605-V609 HydrophobicContact CG2-CG2 4.26Å; I605-V609 WeakPolarHBondContact O-CG2 3.41Å; I605-V609 PolarHBondContact O-N 3.47Å; I605-L617 HydrophobicContact CD1-CD2 4.11Å
606	E	88	Confident	86.2	Confident	57 Å²	57	55.7 Å²	55.7	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-56.4	-47.2	176.4	-178.9	161.2	-157.7	0	0	111.9	I570 R573 E602 N603 A608 V609 L610	I570-E606 HydrophobicContact CD1-CB 3.94Å; I570-E606 HydrophobicContact CG2-CB 4.47Å; I570-E606 HydrophobicContact CG2-CG 4.24Å; R573-E606 IonicContact CZ-OE1 3.6Å; R573-E606 IonicContact NH2-OE1 3.66Å; R573-E606 PolarHBondContact NH2-OE1 3.17Å; R573-E606 IonicContact NH2-OE2 3.55Å; E602-E606 WeakPolarHBondContact O-CB 3.41Å; E602-E606 PolarHBondContact O-N 2.98Å; N603-E606 PolarHBondContact O-N 3.33Å; E606-A608 VanDerWaalsContact C-N 3.33Å; E606-A608 PolarHBondContact O-N 3.25Å; E606-V609 PolarHBondContact O-N 2.71Å; E606-L610 WeakPolarHBondContact O-CG 3.41Å; E606-L610 PolarHBondContact O-N 3.46Å
607	R	86.2	Confident	85.8	Confident	101 Å²	101	54.7 Å²	54.7	38%	0.381	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.6	-176	175	58.8	-154.9	-9.4	112.1	N603 V604 I605 L610 L611	N603-R607 PolarHBondContact O-N 3.09Å; N603-R607 VanDerWaalsContact O-N 3.08Å; V604-R607 PolarHBondContact O-N 3.27Å; I605-R607 VanDerWaalsContact C-N 3.32Å; I605-R607 PolarHBondContact O-N 3.25Å; R607-L610 PolarHBondContact O-N 3.11Å; R607-L611 HydrophobicContact CG-CD1 3.92Å; R607-L611 HydrophobicContact CG-CG 4.49Å; R607-L611 WeakPolarHBondContact O-CG 3.31Å; R607-L611 PolarHBondContact O-N 3.04Å; R607-L611 VanDerWaalsContact O-N 3.11Å
608	A	87.2	Confident	85	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-41.7	178.7	0	0	0	0	0	112.3	V604 I605 E606 L610 L611 T612 L617 L619	V604-A608 WeakPolarHBondContact O-CB 3.23Å; V604-A608 PolarHBondContact O-N 2.67Å; I605-A608 WeakPolarHBondContact O-CB 3.34Å; I605-A608 PolarHBondContact O-N 3.17Å; I605-A608 VanDerWaalsContact O-N 3.09Å; E606-A608 VanDerWaalsContact C-N 3.33Å; E606-A608 PolarHBondContact O-N 3.25Å; A608-L610 VanDerWaalsContact C-N 3.31Å; A608-L610 PolarHBondContact O-N 2.86Å; A608-L611 PolarHBondContact O-N 2.95Å; A608-T612 WeakPolarHBondContact O-CB 3.36Å; A608-T612 PolarHBondContact O-N 3.46Å; A608-T612 PolarHBondContact O-OG1 3.44Å; A608-L617 HydrophobicContact CB-CD1 3.88Å; A608-L617 HydrophobicContact CB-CD2 4.44Å; A608-L617 HydrophobicContact CB-CG 4.2Å; A608-L619 HydrophobicContact CB-CD2 3.81Å
609	V	85.5	Confident	84.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-39.8	176.2	172.3	0	0	0	0	111.2	T567 I570 A571 L574 R576 I578 I605 E606 L617	T567-V609 HydrophobicContact CG2-CG2 4.31Å; I570-V609 HydrophobicContact CG2-CB 4.17Å; I570-V609 HydrophobicContact CG2-CG1 4.1Å; I570-V609 HydrophobicContact CG2-CG2 4.28Å; A571-V609 HydrophobicContact CB-CG1 4.35Å; L574-V609 HydrophobicContact CD1-CG1 3.81Å; R576-V609 PolarHBondContact NH1-O 3.18Å; I578-V609 HydrophobicContact CD1-CB 4.05Å; I578-V609 HydrophobicContact CD1-CG1 3.74Å; I578-V609 HydrophobicContact CD1-CG2 3.87Å; I605-V609 HydrophobicContact CG2-CG2 4.26Å; I605-V609 WeakPolarHBondContact O-CG2 3.41Å; I605-V609 PolarHBondContact O-N 3.47Å; E606-V609 PolarHBondContact O-N 2.71Å; V609-L617 HydrophobicContact CG2-CD1 3.84Å
610	L	84.4	Confident	82.8	Confident	90 Å²	90	58.1 Å²	58.1	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-41.2	177	-72.1	169.1	0	0	0	112.8	L574 R576 E606 R607 A608	L574-L610 HydrophobicContact CD1-CD2 3.78Å; L574-L610 HydrophobicContact CD1-CG 4.17Å; L574-L610 HydrophobicContact CD2-CD2 4.47Å; R576-L610 PolarHBondContact NH1-O 3.26Å; R576-L610 PolarHBondContact NH2-O 2.83Å; E606-L610 WeakPolarHBondContact O-CG 3.41Å; E606-L610 PolarHBondContact O-N 3.46Å; R607-L610 PolarHBondContact O-N 3.11Å; A608-L610 VanDerWaalsContact C-N 3.31Å; A608-L610 PolarHBondContact O-N 2.86Å
611	L	83.6	Confident	81	Confident	92 Å²	92	59.1 Å²	59.1	48%	0.482	30%	0.303	S	S	.	.	H	α-helix	trans	-80.8	-26	-176.1	-67.9	174.5	0	0	0	113.8	R607 A608 R613	R607-L611 HydrophobicContact CG-CD1 3.92Å; R607-L611 HydrophobicContact CG-CG 4.49Å; R607-L611 WeakPolarHBondContact O-CG 3.31Å; R607-L611 PolarHBondContact O-N 3.04Å; R607-L611 VanDerWaalsContact O-N 3.11Å; A608-L611 PolarHBondContact O-N 2.95Å; L611-R613 PolarHBondContact O-N 3Å
612	T	82.3	Confident	79	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.018	32%	0.319	C	S	.	.			trans	-62.2	126.7	-177.7	-65.8	0	0	0	0	111.1	R576 A608 G614 V616 Q618	R576-T612 PolarHBondContact NH1-O 3.46Å; A608-T612 WeakPolarHBondContact O-CB 3.36Å; A608-T612 PolarHBondContact O-N 3.46Å; A608-T612 PolarHBondContact O-OG1 3.44Å; T612-G614 WeakPolarHBondContact CG2-O 3.34Å; T612-V616 WeakPolarHBondContact CG2-O 2.99Å; T612-Q618 PolarHBondContact OG1-N 2.79Å
613	R	77.6	Confident	76.7	Confident	229 Å²	229	67 Å²	67	86%	0.864	35%	0.349	S	S	*	.			trans	-102.5	104.2	169.9	-63.4	-178.6	-178.4	-179.3	0.1	108.4	L611	L611-R613 PolarHBondContact O-N 3Å
614	G	78.6	Confident	74.6	Confident	48 Å²	48	65.9 Å²	65.9	50%	0.495	34%	0.343	S	S	.	.	S	Bend	trans	110.9	-164	-177.8	0	0	0	0	0	113.4	T612	T612-G614 WeakPolarHBondContact CG2-O 3.34Å
615	N	80.2	Confident	72	Confident	85 Å²	85	71.6 Å²	71.6	46%	0.455	38%	0.377	S	S	.	.	S	Bend	trans	-95.9	-0.6	-169.6	-56.8	20.1	0	0	0	114	N577 I578 D579 S580	N577-N615 WeakPolarHBondContact O-CA 3.38Å; I578-N615 CarbonylContact C-O 3.52Å; I578-N615 WeakPolarHBondContact CA-O 3.14Å; D579-N615 PolarHBondContact N-O 3.08Å; D579-N615 PolarHBondContact OD2-ND2 3.35Å; S580-N615 PolarHBondContact N-O 3.14Å
616	V	81.4	Confident	69.6	Low	69 Å²	69	76.9 Å²	76.9	42%	0.418	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-110.5	118.7	-178.9	-174.5	0	0	0	0	109	S580 P582 T612 Q618	S580-V616 WeakPolarHBondContact O-CA 3.32Å; P582-V616 HydrophobicContact CG-CG1 3.66Å; T612-V616 WeakPolarHBondContact CG2-O 2.99Å; V616-Q618 PolarHBondContact O-N 2.96Å; V616-Q618 VanDerWaalsContact O-N 3.16Å
617	L	79.4	Confident	67.1	Low	1 Å²	1	79.3 Å²	79.3	1%	0.005	43%	0.426	C	S	.	.			trans	-59.5	118.2	-177.6	-168.6	75.5	0	0	0	111.1	T567 I578 S580 I581 P582 I605 A608 V609	T567-L617 HydrophobicContact CG2-CD1 4.29Å; I578-L617 HydrophobicContact CD1-CD1 3.97Å; I578-L617 HydrophobicContact CG2-CB 4Å; I578-L617 HydrophobicContact CG2-CD1 4.44Å; S580-L617 PolarHBondContact O-N 2.92Å; I581-L617 HydrophobicContact CD1-CD2 4.24Å; I581-L617 HydrophobicContact CG1-CB 4.17Å; I581-L617 HydrophobicContact CG1-CD2 4.04Å; I581-L617 HydrophobicContact CG2-CD2 4.14Å; P582-L617 VanDerWaalsContact CD-O 3.32Å; P582-L617 WeakPolarHBondContact CD-O 3.16Å; I605-L617 HydrophobicContact CD1-CD2 4.11Å; A608-L617 HydrophobicContact CB-CD1 3.88Å; A608-L617 HydrophobicContact CB-CD2 4.44Å; A608-L617 HydrophobicContact CB-CG 4.2Å; V609-L617 HydrophobicContact CG2-CD1 3.84Å
618	Q	74.7	Confident	64.5	Low	114 Å²	114	82.5 Å²	82.5	53%	0.533	45%	0.445	S	S	.	.			trans	-99.2	113.2	172.5	-70.2	-176.4	-7.5	0	0	109.7	T612 V616 S620	T612-Q618 PolarHBondContact OG1-N 2.79Å; V616-Q618 PolarHBondContact O-N 2.96Å; V616-Q618 VanDerWaalsContact O-N 3.16Å; Q618-S620 PolarHBondContact O-N 3.44Å
619	L	72.6	Confident	62.1	Low	38 Å²	38	87.2 Å²	87.2	20%	0.199	48%	0.476	C	S	.	.			trans	-80.1	109.7	168.7	-82.5	179.5	0	0	0	109.4	T585 L589 V604 A608 L621	T585-L619 HydrophobicContact CG2-CB 4.13Å; T585-L619 HydrophobicContact CG2-CD1 3.15Å; T585-L619 HydrophobicContact CG2-CG 3.46Å; T585-L619 VanDerWaalsContact CG2-CG 3.46Å; L589-L619 HydrophobicContact CD1-CD1 4Å; L589-L619 HydrophobicContact CD2-CD1 3.6Å; L589-L619 HydrophobicContact CD2-CD2 4.45Å; L589-L619 HydrophobicContact CG-CD1 3.69Å; V604-L619 HydrophobicContact CG1-CD2 3.9Å; A608-L619 HydrophobicContact CB-CD2 3.81Å; L619-L621 PolarHBondContact O-N 3.36Å
620	S	60.8	Low	59.5	Low	71 Å²	71	96.5 Å²	96.5	50%	0.497	52%	0.519	S	S	.	.			trans	-85.1	95	154.7	-58.6	0	0	0	0	107.3	Q618 P622	Q618-S620 PolarHBondContact O-N 3.44Å; S620-P622 VanDerWaalsContact O-CD 3.23Å; S620-P622 WeakPolarHBondContact O-CD 3.23Å
621	L	53.2	Low	57.1	Low	69 Å²	69	97.8 Å²	97.8	36%	0.361	53%	0.531	S	S	.	.			trans	-63.4	117.5	167.4	-66.7	171.6	0	0	0	107.3	T588 M592 L619	T588-L621 HydrophobicContact CG2-CD1 4.01Å; M592-L621 HydrophobicContact CE-CD2 4.23Å; M592-L621 HydrophobicContact SD-CD2 4.11Å; L619-L621 PolarHBondContact O-N 3.36Å
622	P	47	Very low	54.9	Low	53 Å²	53	98.7 Å²	98.7	34%	0.344	54%	0.542	S	S	.	.			trans	-81.3	130.8	166.8	14.9	0	0	0	0	108.4	S620 I624	S620-P622 VanDerWaalsContact O-CD 3.23Å; S620-P622 WeakPolarHBondContact O-CD 3.23Å; P622-I624 WeakPolarHBondContact O-CG1 3.47Å; P622-I624 PolarHBondContact O-N 3Å
623	D	42.9	Very low	52.7	Low	170 Å²	170	104.4 Å²	104.4	91%	0.909	58%	0.579	S	S	*	*	S	Bend	trans	20.8	35.9	159.3	-61.6	-20.2	0	0	0	119	V625	D623-V625 PolarHBondContact O-N 3.38Å
624	I	43.6	Very low	50.9	Low	78 Å²	78	96.7 Å²	96.7	40%	0.4	56%	0.564	S	S	.	*			trans	-82.2	105.6	164.3	-66.1	164.1	0	0	0	102.4	M592 P622 L626	M592-I624 HydrophobicContact CE-CD1 3.52Å; M592-I624 HydrophobicContact CE-CG2 4.19Å; P622-I624 WeakPolarHBondContact O-CG1 3.47Å; P622-I624 PolarHBondContact O-N 3Å; I624-L626 PolarHBondContact O-N 3.45Å
625	V	35.4	Very low	49.2	Very low	131 Å²	131	98.2 Å²	98.2	79%	0.794	57%	0.572	S	S	*	*			trans	-47.3	96.9	169.7	179	0	0	0	0	106.3	D623 P627	D623-V625 PolarHBondContact O-N 3.38Å; V625-P627 WeakPolarHBondContact O-CD 3.44Å; V625-P627 VanDerWaalsContact O-N 3.16Å
626	L	37	Very low	47.9	Very low	111 Å²	111	98.8 Å²	98.8	58%	0.581	58%	0.579	S	S	*	*			trans	-54.1	122.6	162.4	-69.9	163.7	0	0	0	103.4	I624 E628	I624-L626 PolarHBondContact O-N 3.45Å; L626-E628 PolarHBondContact O-N 3.24Å
627	P	36.2	Very low	46.8	Very low	108 Å²	108	97.5 Å²	97.5	70%	0.701	57%	0.571	S	S	*	*			trans	-58.7	106.4	155.5	14.4	-7.5	0	0	0	103	V625 P629	V625-P627 WeakPolarHBondContact O-CD 3.44Å; V625-P627 VanDerWaalsContact O-N 3.16Å; P627-P629 VanDerWaalsContact O-N 3.14Å
628	E	31	Very low	46.1	Very low	168 Å²	168	103 Å²	103	79%	0.785	61%	0.605	S	S	*	*			trans	-46	128.7	171.1	-74.4	-176.2	159.3	0	0	105.4	L626 E630	L626-E628 PolarHBondContact O-N 3.24Å; E628-E630 PolarHBondContact O-N 3Å
629	P	36.5	Very low	45.2	Very low	104 Å²	104	100 Å²	100	68%	0.675	60%	0.599	S	S	*	*			trans	-50.9	122.7	-179.8	20.4	-30.8	0	0	0	106	P627 T631	P627-P629 VanDerWaalsContact O-N 3.14Å; P629-T631 PolarHBondContact O-N 3.4Å; P629-T631 PolarHBondContact O-OG1 3.09Å; P629-T631 VanDerWaalsContact O-OG1 3.07Å
630	E	32.3	Very low	44.7	Very low	194 Å²	194	104.6 Å²	104.6	91%	0.907	62%	0.62	S	S	*	*			trans	-56.1	81.9	172.4	-75.1	-173.8	161	0	0	106.7	E628 P632	E628-E630 PolarHBondContact O-N 3Å; E630-P632 WeakPolarHBondContact O-CD 3.07Å
631	T	33.1	Very low	44.4	Very low	117 Å²	117	111.1 Å²	111.1	72%	0.718	64%	0.642	S	S	*	*			trans	-70.4	115.6	165.8	8.2	0	0	0	0	101.3	P629	P629-T631 PolarHBondContact O-N 3.4Å; P629-T631 PolarHBondContact O-OG1 3.09Å; P629-T631 VanDerWaalsContact O-OG1 3.07Å
632	P	36.7	Very low	44.5	Very low	111 Å²	111	111.7 Å²	111.7	72%	0.721	67%	0.665	S	S	*	*			trans	-51.1	132.5	-170.1	-0.7	-4.2	0	0	0	108	E630 A634	E630-P632 WeakPolarHBondContact O-CD 3.07Å; P632-A634 PolarHBondContact O-N 3.43Å
633	P	36.9	Very low	45.3	Very low	123 Å²	123	110.8 Å²	110.8	80%	0.799	66%	0.656	S	S	*	*			trans	-49.1	109.7	-163.9	15.6	-29.2	0	0	0	109.1	A635	P633-A635 PolarHBondContact O-N 2.78Å
634	A	39.2	Very low	46.9	Very low	67 Å²	67	108.5 Å²	108.5	55%	0.554	64%	0.644	S	S	*	*			trans	-57.1	113.8	176.6	0	0	0	0	0	106	P632 T636	P632-A634 PolarHBondContact O-N 3.43Å; A634-T636 VanDerWaalsContact C-N 3.33Å; A634-T636 PolarHBondContact O-N 3.02Å
635	A	42.7	Very low	48.6	Very low	80 Å²	80	107.5 Å²	107.5	66%	0.661	64%	0.638	S	S	*	*			trans	-42.1	93.6	-170.6	0	0	0	0	0	111.7	P633 V637 R669	P633-A635 PolarHBondContact O-N 2.78Å; A635-V637 PolarHBondContact O-N 2.92Å; A635-V637 VanDerWaalsContact O-N 3.1Å; A635-R669 VanDerWaalsContact O-O 3.1Å
636	T	53.9	Low	50.7	Low	98 Å²	98	106.4 Å²	106.4	60%	0.601	62%	0.62	S	S	*	*			trans	-71.6	105.3	172.5	27.8	0	0	0	0	105.2	A634 V638	A634-T636 VanDerWaalsContact C-N 3.33Å; A634-T636 PolarHBondContact O-N 3.02Å; T636-V638 PolarHBondContact O-N 3.34Å
637	V	59	Low	52.8	Low	41 Å²	41	106.1 Å²	106.1	25%	0.248	62%	0.616	C	S	.	*			trans	-59.2	107	172.6	-180	0	0	0	0	107	A635 L648 V652 R669	A635-V637 PolarHBondContact O-N 2.92Å; A635-V637 VanDerWaalsContact O-N 3.1Å; V637-L648 HydrophobicContact CG1-CD1 4.07Å; V637-V652 HydrophobicContact CB-CG2 4.14Å; V637-V652 HydrophobicContact CG1-CG2 4.03Å; V637-V652 HydrophobicContact CG2-CG2 4.14Å; V637-R669 HydrophobicContact CG2-CB 4.43Å
638	V	62.9	Low	55	Low	118 Å²	118	102.4 Å²	102.4	72%	0.715	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-68.2	133.4	178.9	-172.9	0	0	0	0	108	T636 Q640 R651	T636-V638 PolarHBondContact O-N 3.34Å; V638-Q640 PolarHBondContact O-N 2.98Å; V638-R651 PolarHBondContact O-NH2 2.81Å
639	A	56.6	Low	57.6	Low	50 Å²	50	94.5 Å²	94.5	41%	0.413	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-60.1	131.1	171	0	0	0	0	0	109.1	L648	A639-L648 HydrophobicContact CB-CD2 4.39Å
640	Q	62.3	Low	59.8	Low	134 Å²	134	90.4 Å²	90.4	63%	0.626	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-70.7	153.4	173.5	-71.9	175.8	-4	0	0	109.6	V638 G642 E643 R651	V638-Q640 PolarHBondContact O-N 2.98Å; Q640-G642 PolarHBondContact O-N 3.45Å; Q640-G642 VanDerWaalsContact O-N 3.13Å; Q640-E643 HydrophobicContact CB-CB 4.36Å; Q640-E643 PolarHBondContact N-OE2 3.4Å; Q640-E643 WeakPolarHBondContact O-CB 3.49Å; Q640-E643 PolarHBondContact O-N 3.49Å; Q640-R651 VanDerWaalsContact CG-NH1 3.33Å
641	E	53.8	Low	62.1	Low	208 Å²	208	83.2 Å²	83.2	97%	0.972	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	119.9	-178.3	-74.7	-176.6	161.1	0	0	111.3
642	G	55.6	Low	64.6	Low	82 Å²	82	77.6 Å²	77.6	85%	0.845	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	3.7	-177.4	0	0	0	0	0	115.6	Q640	Q640-G642 PolarHBondContact O-N 3.45Å; Q640-G642 VanDerWaalsContact O-N 3.13Å
643	E	64.3	Low	66.8	Low	34 Å²	34	72.5 Å²	72.5	16%	0.159	42%	0.423	C	S	.	.			trans	-80.3	120.1	179.7	-166.4	174.3	-154.7	0	0	111.8	Q640 Q647 L648 R651	Q640-E643 HydrophobicContact CB-CB 4.36Å; Q640-E643 PolarHBondContact N-OE2 3.4Å; Q640-E643 WeakPolarHBondContact O-CB 3.49Å; Q640-E643 PolarHBondContact O-N 3.49Å; E643-Q647 HydrophobicContact CG-CB 3.53Å; E643-L648 HydrophobicContact CG-CB 4.45Å; E643-R651 IonicContact OE1-CZ 3.77Å; E643-R651 IonicContact OE1-NE 2.74Å; E643-R651 IonicContact OE1-NH1 3.4Å; E643-R651 PolarHBondContact OE1-NH1 3.06Å; E643-R651 IonicContact OE1-NH2 3.97Å; E643-R651 IonicContact OE2-CZ 2.64Å; E643-R651 IonicContact OE2-NH1 3.46Å; E643-R651 PolarHBondContact OE2-NH1 2.99Å; E643-R651 IonicContact OE2-NH2 3.36Å; E643-R651 PolarHBondContact OE2-NH2 3.31Å
644	D	75.9	Confident	68.9	Low	121 Å²	121	72.6 Å²	72.6	65%	0.647	41%	0.411	S	S	*	.			trans	-77.1	158.1	177.2	-123.5	-10.6	0	0	0	111.6	Y646 Q647 L648	D644-Y646 PolarHBondContact O-N 3.37Å; D644-Q647 PolarHBondContact O-N 2.92Å; D644-L648 PolarHBondContact O-N 3.38Å; D644-L648 VanDerWaalsContact O-N 3.13Å
645	E	79.1	Confident	70.9	Confident	57 Å²	57	73.9 Å²	73.9	27%	0.266	41%	0.405	S	S	.	.	H	α-helix	trans	-53.6	-35.1	-177.6	-172.5	-177.3	-156	0	0	112.7	I649 R680 R683 L684	E645-I649 HydrophobicContact CG-CD1 3.96Å; E645-I649 WeakPolarHBondContact O-CG1 3.45Å; E645-I649 PolarHBondContact O-N 3.47Å; E645-I649 VanDerWaalsContact O-N 3.14Å; E645-R680 VanDerWaalsContact OE1-CD 3.26Å; E645-R680 WeakPolarHBondContact OE1-CD 3.25Å; E645-R680 IonicContact OE1-CZ 2.84Å; E645-R680 IonicContact OE1-NE 3.17Å; E645-R680 IonicContact OE1-NH1 3.71Å; E645-R680 PolarHBondContact OE1-NH1 3Å; E645-R683 IonicContact OE1-NH2 3.39Å; E645-R683 IonicContact OE2-CZ 3.56Å; E645-R683 IonicContact OE2-NH2 3.01Å; E645-R683 PolarHBondContact OE2-NH2 3.4Å; E645-L684 HydrophobicContact CG-CD1 4.06Å
646	Y	79.9	Confident	72.8	Confident	108 Å²	108	70.5 Å²	70.5	42%	0.424	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-48.2	174.3	179.3	-86.2	0	0	0	112.2	D644 I649 V650 L684 I686	D644-Y646 PolarHBondContact O-N 3.37Å; Y646-I649 PolarHBondContact O-N 2.7Å; Y646-V650 HydrophobicContact CD1-CG2 4.11Å; Y646-V650 HydrophobicContact CE1-CG2 3.74Å; Y646-V650 HydrophobicContact CE2-CG2 4.4Å; Y646-V650 WeakPolarHBondContact O-CB 3.28Å; Y646-V650 VanDerWaalsContact O-CG2 3.27Å; Y646-V650 WeakPolarHBondContact O-CG2 3.31Å; Y646-V650 PolarHBondContact O-N 3.35Å; Y646-L684 HydrophobicContact CD2-CB 4.16Å; Y646-I686 HydrophobicContact CD2-CD1 3.84Å; Y646-I686 HydrophobicContact CD2-CG1 3.61Å; Y646-I686 HydrophobicContact CE2-CD1 4.11Å; Y646-I686 HydrophobicContact CE2-CG1 3.42Å; Y646-I686 VanDerWaalsContact CE2-CG1 3.42Å; Y646-I686 HydrophobicContact CG-CD1 4.45Å
647	Q	81.3	Confident	73.9	Confident	106 Å²	106	72.5 Å²	72.5	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-66.9	-41.7	-176.6	-69.4	179.8	-15.2	0	0	111.2	E643 D644 V650 R651	E643-Q647 HydrophobicContact CG-CB 3.53Å; D644-Q647 PolarHBondContact O-N 2.92Å; Q647-V650 PolarHBondContact O-N 2.76Å; Q647-R651 WeakPolarHBondContact O-CB 3.19Å; Q647-R651 PolarHBondContact O-N 3.3Å
648	L	83.1	Confident	74.7	Confident	30 Å²	30	70.8 Å²	70.8	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-49.7	175.9	179	64.6	0	0	0	111.6	V637 A639 E643 D644 V650 R651 V652 L670	V637-L648 HydrophobicContact CG1-CD1 4.07Å; A639-L648 HydrophobicContact CB-CD2 4.39Å; E643-L648 HydrophobicContact CG-CB 4.45Å; D644-L648 PolarHBondContact O-N 3.38Å; D644-L648 VanDerWaalsContact O-N 3.13Å; L648-V650 PolarHBondContact O-N 3.07Å; L648-R651 VanDerWaalsContact CD1-NH2 3.27Å; L648-R651 PolarHBondContact O-N 3.49Å; L648-V652 HydrophobicContact CD1-CG2 4.47Å; L648-V652 WeakPolarHBondContact O-CG2 3.43Å; L648-V652 PolarHBondContact O-N 2.93Å; L648-L670 HydrophobicContact CD2-CD2 4.2Å; L648-L670 HydrophobicContact CG-CD2 4.04Å
649	I	83.6	Confident	75.7	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-65.9	-40.3	-179.1	-68.4	172.2	0	0	0	110.9	E645 Y646 L653 L670 L677 R680 M681 L684 I686	E645-I649 HydrophobicContact CG-CD1 3.96Å; E645-I649 WeakPolarHBondContact O-CG1 3.45Å; E645-I649 PolarHBondContact O-N 3.47Å; E645-I649 VanDerWaalsContact O-N 3.14Å; Y646-I649 PolarHBondContact O-N 2.7Å; I649-L653 HydrophobicContact CG2-CD1 3.79Å; I649-L653 HydrophobicContact CG2-CG 4.42Å; I649-L653 WeakPolarHBondContact O-CB 3.29Å; I649-L653 VanDerWaalsContact O-CG 3.31Å; I649-L653 WeakPolarHBondContact O-CG 3.2Å; I649-L653 PolarHBondContact O-N 3.26Å; I649-L670 HydrophobicContact CG1-CD1 4.12Å; I649-L677 HydrophobicContact CD1-CD1 4.28Å; I649-L677 HydrophobicContact CG1-CD1 4.29Å; I649-L677 HydrophobicContact CG2-CD1 4.03Å; I649-R680 HydrophobicContact CD1-CB 4.04Å; I649-M681 HydrophobicContact CG2-CG 4.12Å; I649-L684 HydrophobicContact CD1-CD1 3.79Å; I649-I686 HydrophobicContact CB-CD1 3.98Å; I649-I686 HydrophobicContact CG2-CD1 3.68Å
650	V	84.1	Confident	76.8	Confident	17 Å²	17	66.9 Å²	66.9	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-43.3	176.8	166.6	0	0	0	0	111.7	Y646 Q647 L648 L653 K654 I686 L691	Y646-V650 HydrophobicContact CD1-CG2 4.11Å; Y646-V650 HydrophobicContact CE1-CG2 3.74Å; Y646-V650 HydrophobicContact CE2-CG2 4.4Å; Y646-V650 WeakPolarHBondContact O-CB 3.28Å; Y646-V650 VanDerWaalsContact O-CG2 3.27Å; Y646-V650 WeakPolarHBondContact O-CG2 3.31Å; Y646-V650 PolarHBondContact O-N 3.35Å; Q647-V650 PolarHBondContact O-N 2.76Å; L648-V650 PolarHBondContact O-N 3.07Å; V650-L653 PolarHBondContact O-N 3.06Å; V650-K654 HydrophobicContact CG1-CD 4.41Å; V650-K654 WeakPolarHBondContact O-CG 3.34Å; V650-K654 PolarHBondContact O-N 3.37Å; V650-I686 HydrophobicContact CG2-CD1 4.1Å; V650-I686 HydrophobicContact CG2-CG1 4.33Å; V650-I686 HydrophobicContact CG2-CG2 4.28Å; V650-L691 HydrophobicContact CG1-CD2 3.6Å; V650-L691 HydrophobicContact CG2-CD1 4.26Å; V650-L691 HydrophobicContact CG2-CD2 4.25Å
651	R	80.9	Confident	77.5	Confident	43 Å²	43	62.2 Å²	62.2	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-50.6	176.8	-178	176.5	68.6	-148.9	-7.7	110.8	V638 Q640 E643 Q647 L648 L653 K654 E655	V638-R651 PolarHBondContact O-NH2 2.81Å; Q640-R651 VanDerWaalsContact CG-NH1 3.33Å; E643-R651 IonicContact OE1-CZ 3.77Å; E643-R651 IonicContact OE1-NE 2.74Å; E643-R651 IonicContact OE1-NH1 3.4Å; E643-R651 PolarHBondContact OE1-NH1 3.06Å; E643-R651 IonicContact OE1-NH2 3.97Å; E643-R651 IonicContact OE2-CZ 2.64Å; E643-R651 IonicContact OE2-NH1 3.46Å; E643-R651 PolarHBondContact OE2-NH1 2.99Å; E643-R651 IonicContact OE2-NH2 3.36Å; E643-R651 PolarHBondContact OE2-NH2 3.31Å; Q647-R651 WeakPolarHBondContact O-CB 3.19Å; Q647-R651 PolarHBondContact O-N 3.3Å; L648-R651 VanDerWaalsContact CD1-NH2 3.27Å; L648-R651 PolarHBondContact O-N 3.49Å; R651-L653 VanDerWaalsContact C-N 3.31Å; R651-L653 PolarHBondContact O-N 2.74Å; R651-K654 PolarHBondContact O-N 3.06Å; R651-K654 VanDerWaalsContact O-N 3.16Å; R651-E655 WeakPolarHBondContact O-CG 3.44Å; R651-E655 PolarHBondContact O-N 3.05Å
652	V	84.3	Confident	78.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-35.1	-179.8	179.4	0	0	0	0	111.7	V637 L648 T656 A666 R669 L670	V637-V652 HydrophobicContact CB-CG2 4.14Å; V637-V652 HydrophobicContact CG1-CG2 4.03Å; V637-V652 HydrophobicContact CG2-CG2 4.14Å; L648-V652 HydrophobicContact CD1-CG2 4.47Å; L648-V652 WeakPolarHBondContact O-CG2 3.43Å; L648-V652 PolarHBondContact O-N 2.93Å; V652-T656 HydrophobicContact CG1-CG2 4.43Å; V652-T656 WeakPolarHBondContact O-CB 3.49Å; V652-T656 VanDerWaalsContact O-CG2 3.31Å; V652-T656 WeakPolarHBondContact O-CG2 3.48Å; V652-T656 PolarHBondContact O-N 3.18Å; V652-T656 VanDerWaalsContact O-N 3.07Å; V652-T656 PolarHBondContact O-OG1 3.32Å; V652-A666 HydrophobicContact CG1-CB 3.83Å; V652-R669 HydrophobicContact CG1-CB 3.8Å; V652-L670 HydrophobicContact CB-CD1 4.46Å; V652-L670 HydrophobicContact CB-CD2 4.38Å; V652-L670 HydrophobicContact CB-CG 4.33Å; V652-L670 HydrophobicContact CG1-CD1 4.41Å; V652-L670 HydrophobicContact CG1-CG 4.1Å; V652-L670 HydrophobicContact CG2-CD2 3.88Å; V652-L670 HydrophobicContact CG2-CG 4.28Å
653	L	83.1	Confident	79.4	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-40.4	173.3	-79.9	167.5	0	0	0	112.5	I649 V650 R651 T656 N657 G658 V660 A666 M681 I686 L691	I649-L653 HydrophobicContact CG2-CD1 3.79Å; I649-L653 HydrophobicContact CG2-CG 4.42Å; I649-L653 WeakPolarHBondContact O-CB 3.29Å; I649-L653 VanDerWaalsContact O-CG 3.31Å; I649-L653 WeakPolarHBondContact O-CG 3.2Å; I649-L653 PolarHBondContact O-N 3.26Å; V650-L653 PolarHBondContact O-N 3.06Å; R651-L653 VanDerWaalsContact C-N 3.31Å; R651-L653 PolarHBondContact O-N 2.74Å; L653-T656 WeakPolarHBondContact CA-OG1 3.13Å; L653-T656 CarbonylContact O-C 3.43Å; L653-T656 PolarHBondContact O-N 2.95Å; L653-T656 PolarHBondContact O-OG1 3.39Å; L653-N657 PolarHBondContact O-N 3.37Å; L653-G658 PolarHBondContact O-N 3.49Å; L653-V660 HydrophobicContact CD2-CG2 4.12Å; L653-A666 HydrophobicContact CD2-CB 3.84Å; L653-A666 HydrophobicContact CG-CB 4.24Å; L653-M681 HydrophobicContact CD1-CE 3.74Å; L653-M681 HydrophobicContact CD1-CG 4.41Å; L653-M681 HydrophobicContact CD1-SD 4.04Å; L653-I686 HydrophobicContact CD1-CG2 3.89Å; L653-L691 HydrophobicContact CD1-CD1 4.25Å
654	K	80.3	Confident	79.9	Confident	125 Å²	125	62.5 Å²	62.5	54%	0.543	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-46.1	174.7	-76.5	-176.9	176.2	-176.5	0	111.7	V650 R651 T656 N657	V650-K654 HydrophobicContact CG1-CD 4.41Å; V650-K654 WeakPolarHBondContact O-CG 3.34Å; V650-K654 PolarHBondContact O-N 3.37Å; R651-K654 PolarHBondContact O-N 3.06Å; R651-K654 VanDerWaalsContact O-N 3.16Å; K654-T656 PolarHBondContact O-N 3.42Å; K654-N657 PolarHBondContact O-N 3.08Å; K654-N657 VanDerWaalsContact O-N 3.07Å
655	E	81.4	Confident	80.3	Confident	93 Å²	93	56.7 Å²	56.7	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-23.6	178	-69.4	175.9	-170.8	0	0	113.8	R651 R669	R651-E655 WeakPolarHBondContact O-CG 3.44Å; R651-E655 PolarHBondContact O-N 3.05Å; E655-R669 IonicContact OE2-NH1 3.98Å; E655-R669 PolarHBondContact OE2-NH1 3.04Å; E655-R669 VanDerWaalsContact OE2-NH1 3.13Å
656	T	82.9	Confident	80.5	Confident	10 Å²	10	54 Å²	54	6%	0.061	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	12.2	176.8	55.9	0	0	0	0	112.7	V652 L653 K654 G658 V659 K664 A666 R669	V652-T656 HydrophobicContact CG1-CG2 4.43Å; V652-T656 WeakPolarHBondContact O-CB 3.49Å; V652-T656 VanDerWaalsContact O-CG2 3.31Å; V652-T656 WeakPolarHBondContact O-CG2 3.48Å; V652-T656 PolarHBondContact O-N 3.18Å; V652-T656 VanDerWaalsContact O-N 3.07Å; V652-T656 PolarHBondContact O-OG1 3.32Å; L653-T656 WeakPolarHBondContact CA-OG1 3.13Å; L653-T656 CarbonylContact O-C 3.43Å; L653-T656 PolarHBondContact O-N 2.95Å; L653-T656 PolarHBondContact O-OG1 3.39Å; K654-T656 PolarHBondContact O-N 3.42Å; T656-G658 PolarHBondContact O-N 2.93Å; T656-G658 VanDerWaalsContact O-N 3.17Å; T656-V659 WeakPolarHBondContact O-CB 3.22Å; T656-V659 WeakPolarHBondContact O-CG2 3.36Å; T656-V659 PolarHBondContact O-N 3.39Å; T656-V659 PolarHBondContact OG1-O 3.28Å; T656-K664 WeakPolarHBondContact CG2-O 3.45Å; T656-A666 HydrophobicContact CG2-CB 4.48Å; T656-R669 HydrophobicContact CG2-CG 4.49Å
657	N	77.6	Confident	80.6	Confident	139 Å²	139	49.1 Å²	49.1	74%	0.743	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	37.5	-177.3	-67.1	-25.8	0	0	0	113	L653 K654 V659	L653-N657 PolarHBondContact O-N 3.37Å; K654-N657 PolarHBondContact O-N 3.08Å; K654-N657 VanDerWaalsContact O-N 3.07Å; N657-V659 PolarHBondContact O-N 3.4Å
658	G	76	Confident	80.6	Confident	6 Å²	6	49 Å²	49	6%	0.062	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	12.2	179.5	0	0	0	0	0	115.7	L653 T656 V660 K688	L653-G658 PolarHBondContact O-N 3.49Å; T656-G658 PolarHBondContact O-N 2.93Å; T656-G658 VanDerWaalsContact O-N 3.17Å; G658-V660 PolarHBondContact O-N 3.37Å; G658-K688 WeakPolarHBondContact O-CD 3.21Å; G658-K688 WeakPolarHBondContact O-CE 3.36Å; G658-K688 PolarHBondContact O-NZ 3.16Å
659	V	83.5	Confident	80.4	Confident	67 Å²	67	52.3 Å²	52.3	41%	0.406	27%	0.274	S	S	.	.			trans	-79	108.4	174.4	-178.4	0	0	0	0	109.8	T656 N657 A661 G665 A666	T656-V659 WeakPolarHBondContact O-CB 3.22Å; T656-V659 WeakPolarHBondContact O-CG2 3.36Å; T656-V659 PolarHBondContact O-N 3.39Å; T656-V659 PolarHBondContact OG1-O 3.28Å; N657-V659 PolarHBondContact O-N 3.4Å; V659-A661 WeakPolarHBondContact CG1-O 3.39Å; V659-G665 CarbonylContact O-C 3.6Å; V659-G665 WeakPolarHBondContact O-CA 3.3Å; V659-A666 PolarHBondContact O-N 3.42Å
660	V	79.5	Confident	80.2	Confident	18 Å²	18	53.4 Å²	53.4	11%	0.109	28%	0.28	C	S	.	.			trans	-76.1	-35.8	-175.9	-177.2	0	0	0	0	112.4	L653 G658 A667 L677 L678 M681 K688	L653-V660 HydrophobicContact CD2-CG2 4.12Å; G658-V660 PolarHBondContact O-N 3.37Å; V660-A667 WeakPolarHBondContact O-CB 3.44Å; V660-A667 PolarHBondContact O-N 2.74Å; V660-L677 HydrophobicContact CG1-CD2 3.83Å; V660-L677 HydrophobicContact CG1-CG 4.33Å; V660-L678 HydrophobicContact CG1-CD2 3.93Å; V660-L678 HydrophobicContact CG1-CG 4.19Å; V660-M681 HydrophobicContact CG1-SD 4.27Å; V660-M681 HydrophobicContact CG2-CE 4.49Å; V660-M681 HydrophobicContact CG2-SD 4.34Å; V660-K688 HydrophobicContact CG2-CD 4.22Å
661	A	76.4	Confident	79.9	Confident	36 Å²	36	55.4 Å²	55.4	30%	0.298	30%	0.304	S	S	.	.	S	Bend	trans	-143.7	154.9	-174.3	0	0	0	0	0	112.3	V659 R674	V659-A661 WeakPolarHBondContact CG1-O 3.39Å; A661-R674 HydrophobicContact CB-CB 3.94Å; A661-R674 HydrophobicContact CB-CG 3.65Å
662	G	76.6	Confident	79.8	Confident	35 Å²	35	55.2 Å²	55.2	36%	0.361	31%	0.306	S	S	.	.	S	Bend	trans	117.2	175.5	-174.9	0	0	0	0	0	112	K664 G665 Q668	G662-K664 PolarHBondContact O-N 3.43Å; G662-G665 PolarHBondContact O-N 2.98Å; G662-Q668 PolarHBondContact O-OE1 3.1Å
663	P	73.2	Confident	79.6	Confident	121 Å²	121	63 Å²	63	79%	0.786	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27.2	-176.4	15.2	-28.1	0	0	0	114.7
664	K	75.5	Confident	79.5	Confident	174 Å²	174	70.7 Å²	70.7	76%	0.757	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	13.2	177.4	-64	-175.6	177	-179.4	0	113.3	T656 G662	T656-K664 WeakPolarHBondContact CG2-O 3.45Å; G662-K664 PolarHBondContact O-N 3.43Å
665	G	83.1	Confident	79.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.373	C	S	.	.	S	Bend	trans	-87.2	157.7	-174.1	0	0	0	0	0	114	V659 G662 A667 Q668 R669	V659-G665 CarbonylContact O-C 3.6Å; V659-G665 WeakPolarHBondContact O-CA 3.3Å; G662-G665 PolarHBondContact O-N 2.98Å; G665-A667 VanDerWaalsContact C-N 3.29Å; G665-A667 PolarHBondContact O-N 2.98Å; G665-Q668 PolarHBondContact O-N 2.94Å; G665-Q668 VanDerWaalsContact O-N 3.15Å; G665-R669 PolarHBondContact O-N 2.98Å
666	A	83.6	Confident	79.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-57.7	-37.4	-179.3	0	0	0	0	0	113.4	V652 L653 T656 V659 Q668 R669 L670 L677	V652-A666 HydrophobicContact CG1-CB 3.83Å; L653-A666 HydrophobicContact CD2-CB 3.84Å; L653-A666 HydrophobicContact CG-CB 4.24Å; T656-A666 HydrophobicContact CG2-CB 4.48Å; V659-A666 PolarHBondContact O-N 3.42Å; A666-Q668 VanDerWaalsContact C-N 3.28Å; A666-Q668 PolarHBondContact O-N 3.13Å; A666-R669 PolarHBondContact O-N 3.31Å; A666-L670 WeakPolarHBondContact O-CB 3.41Å; A666-L670 WeakPolarHBondContact O-CG 3.5Å; A666-L670 PolarHBondContact O-N 2.6Å; A666-L677 HydrophobicContact CB-CD2 3.77Å
667	A	82.9	Confident	79.3	Confident	5 Å²	5	67.3 Å²	67.3	4%	0.041	37%	0.365	C	S	.	.	H	α-helix	trans	-58.9	-41.4	178.5	0	0	0	0	0	111.7	V660 G665 L670 G671 L672 L677	V660-A667 WeakPolarHBondContact O-CB 3.44Å; V660-A667 PolarHBondContact O-N 2.74Å; G665-A667 VanDerWaalsContact C-N 3.29Å; G665-A667 PolarHBondContact O-N 2.98Å; A667-L670 PolarHBondContact O-N 3.37Å; A667-G671 PolarHBondContact O-N 3.45Å; A667-G671 VanDerWaalsContact O-N 3.15Å; A667-L672 CarbonylContact C-O 3.54Å; A667-L672 WeakPolarHBondContact CB-O 3.21Å; A667-L672 PolarHBondContact O-N 2.96Å; A667-L677 HydrophobicContact CB-CB 4.29Å; A667-L677 HydrophobicContact CB-CD2 3.85Å
668	Q	79.9	Confident	79.7	Confident	105 Å²	105	64.3 Å²	64.3	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-72.5	-38.7	179.5	-172	162	-2.4	0	0	112.2	G662 G665 A666 L670 G671	G662-Q668 PolarHBondContact O-OE1 3.1Å; G665-Q668 PolarHBondContact O-N 2.94Å; G665-Q668 VanDerWaalsContact O-N 3.15Å; A666-Q668 VanDerWaalsContact C-N 3.28Å; A666-Q668 PolarHBondContact O-N 3.13Å; Q668-L670 VanDerWaalsContact C-N 3.3Å; Q668-L670 PolarHBondContact O-N 3.3Å; Q668-G671 PolarHBondContact O-N 2.97Å
669	R	79.9	Confident	79.9	Confident	98 Å²	98	67.8 Å²	67.8	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-30.5	174.3	-72.8	-165	177.6	-179.3	3.3	113.6	A635 V637 V652 E655 T656 G665 A666 G671	A635-R669 VanDerWaalsContact O-O 3.1Å; V637-R669 HydrophobicContact CG2-CB 4.43Å; V652-R669 HydrophobicContact CG1-CB 3.8Å; E655-R669 IonicContact OE2-NH1 3.98Å; E655-R669 PolarHBondContact OE2-NH1 3.04Å; E655-R669 VanDerWaalsContact OE2-NH1 3.13Å; T656-R669 HydrophobicContact CG2-CG 4.49Å; G665-R669 PolarHBondContact O-N 2.98Å; A666-R669 PolarHBondContact O-N 3.31Å; R669-G671 VanDerWaalsContact C-N 3.32Å
670	L	80.1	Confident	79.8	Confident	26 Å²	26	68.8 Å²	68.8	14%	0.136	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.2	175.4	-70	167.8	0	0	0	112.9	L648 I649 V652 A666 A667 Q668 L672 L677	L648-L670 HydrophobicContact CD2-CD2 4.2Å; L648-L670 HydrophobicContact CG-CD2 4.04Å; I649-L670 HydrophobicContact CG1-CD1 4.12Å; V652-L670 HydrophobicContact CB-CD1 4.46Å; V652-L670 HydrophobicContact CB-CD2 4.38Å; V652-L670 HydrophobicContact CB-CG 4.33Å; V652-L670 HydrophobicContact CG1-CD1 4.41Å; V652-L670 HydrophobicContact CG1-CG 4.1Å; V652-L670 HydrophobicContact CG2-CD2 3.88Å; V652-L670 HydrophobicContact CG2-CG 4.28Å; A666-L670 WeakPolarHBondContact O-CB 3.41Å; A666-L670 WeakPolarHBondContact O-CG 3.5Å; A666-L670 PolarHBondContact O-N 2.6Å; A667-L670 PolarHBondContact O-N 3.37Å; Q668-L670 VanDerWaalsContact C-N 3.3Å; Q668-L670 PolarHBondContact O-N 3.3Å; L670-L672 HydrophobicContact CB-CB 4.47Å; L670-L672 HydrophobicContact CB-CD1 4.09Å; L670-L672 HydrophobicContact CB-CG 4.06Å; L670-L672 PolarHBondContact O-N 2.93Å; L670-L677 HydrophobicContact CD1-CD1 3.55Å; L670-L677 HydrophobicContact CD1-CD2 4.29Å
671	G	76.2	Confident	80	Confident	59 Å²	59	68.4 Å²	68.4	61%	0.608	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	21.7	-173.8	0	0	0	0	0	114	A667 Q668 R669	A667-G671 PolarHBondContact O-N 3.45Å; A667-G671 VanDerWaalsContact O-N 3.15Å; Q668-G671 PolarHBondContact O-N 2.97Å; R669-G671 VanDerWaalsContact C-N 3.32Å
672	L	79.8	Confident	80.3	Confident	39 Å²	39	75.7 Å²	75.7	20%	0.204	39%	0.391	C	S	.	.			trans	-104.7	147.3	-177.5	-64.2	177.5	0	0	0	111.4	A667 L670 T676 L677	A667-L672 CarbonylContact C-O 3.54Å; A667-L672 WeakPolarHBondContact CB-O 3.21Å; A667-L672 PolarHBondContact O-N 2.96Å; L670-L672 HydrophobicContact CB-CB 4.47Å; L670-L672 HydrophobicContact CB-CD1 4.09Å; L670-L672 HydrophobicContact CB-CG 4.06Å; L670-L672 PolarHBondContact O-N 2.93Å; L672-T676 HydrophobicContact CD2-CG2 4.22Å; L672-L677 HydrophobicContact CD1-CD1 4.31Å
673	K	80.3	Confident	80.6	Confident	163 Å²	163	82 Å²	82	71%	0.709	40%	0.404	S	S	*	.			trans	-63.5	144.4	165.8	-71.2	-179.2	-179.8	176	0	109.6	T675 T676 L677	K673-T675 PolarHBondContact O-N 3.24Å; K673-T675 VanDerWaalsContact O-N 3.12Å; K673-T676 WeakPolarHBondContact O-CA 3.47Å; K673-T676 WeakPolarHBondContact O-CB 3.5Å; K673-T676 PolarHBondContact O-N 3.21Å; K673-L677 PolarHBondContact O-N 2.99Å; K673-L677 VanDerWaalsContact O-N 3.1Å
674	R	80.1	Confident	81.1	Confident	166 Å²	166	78.6 Å²	78.6	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-46.3	-45.8	177.1	174.3	179.5	-179.6	-159.2	-1.6	112.8	A661 T676 L677 L678	A661-R674 HydrophobicContact CB-CB 3.94Å; A661-R674 HydrophobicContact CB-CG 3.65Å; R674-T676 VanDerWaalsContact C-N 3.32Å; R674-T676 PolarHBondContact O-N 3.39Å; R674-L677 PolarHBondContact O-N 3.12Å; R674-L678 HydrophobicContact CG-CD1 4.11Å; R674-L678 WeakPolarHBondContact O-CG 3.45Å; R674-L678 PolarHBondContact O-N 3.04Å; R674-L678 VanDerWaalsContact O-N 3.15Å
675	T	79	Confident	81.3	Confident	103 Å²	103	73.3 Å²	73.3	63%	0.632	37%	0.374	S	S	*	.	H	α-helix	trans	-64.9	-35.3	-179.6	50.5	0	0	0	0	112.6	K673 S679	K673-T675 PolarHBondContact O-N 3.24Å; K673-T675 VanDerWaalsContact O-N 3.12Å; T675-S679 WeakPolarHBondContact O-CB 3.49Å; T675-S679 PolarHBondContact O-N 3.37Å; T675-S679 VanDerWaalsContact O-N 3.16Å
676	T	80.2	Confident	81.2	Confident	53 Å²	53	73.9 Å²	73.9	33%	0.325	38%	0.376	S	S	.	.	H	α-helix	trans	-71.2	-42.9	179.2	-51.6	0	0	0	0	111.3	L672 K673 R674 S679 R680	L672-T676 HydrophobicContact CD2-CG2 4.22Å; K673-T676 WeakPolarHBondContact O-CA 3.47Å; K673-T676 WeakPolarHBondContact O-CB 3.5Å; K673-T676 PolarHBondContact O-N 3.21Å; R674-T676 VanDerWaalsContact C-N 3.32Å; R674-T676 PolarHBondContact O-N 3.39Å; T676-S679 PolarHBondContact O-N 3.48Å; T676-R680 WeakPolarHBondContact O-CG 3.42Å; T676-R680 PolarHBondContact O-N 2.88Å
677	L	82.7	Confident	80.9	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-63.7	-44.9	176.7	-177.2	61.4	0	0	0	111.7	I649 V660 A666 A667 L670 L672 K673 R674 S679 R680 M681	I649-L677 HydrophobicContact CD1-CD1 4.28Å; I649-L677 HydrophobicContact CG1-CD1 4.29Å; I649-L677 HydrophobicContact CG2-CD1 4.03Å; V660-L677 HydrophobicContact CG1-CD2 3.83Å; V660-L677 HydrophobicContact CG1-CG 4.33Å; A666-L677 HydrophobicContact CB-CD2 3.77Å; A667-L677 HydrophobicContact CB-CB 4.29Å; A667-L677 HydrophobicContact CB-CD2 3.85Å; L670-L677 HydrophobicContact CD1-CD1 3.55Å; L670-L677 HydrophobicContact CD1-CD2 4.29Å; L672-L677 HydrophobicContact CD1-CD1 4.31Å; K673-L677 PolarHBondContact O-N 2.99Å; K673-L677 VanDerWaalsContact O-N 3.1Å; R674-L677 PolarHBondContact O-N 3.12Å; L677-S679 VanDerWaalsContact C-N 3.3Å; L677-S679 PolarHBondContact O-N 2.89Å; L677-R680 PolarHBondContact O-N 3Å; L677-M681 HydrophobicContact CD1-CG 4.47Å; L677-M681 HydrophobicContact CG-CG 4.45Å; L677-M681 HydrophobicContact CG-SD 4.2Å; L677-M681 WeakPolarHBondContact O-CG 3.25Å; L677-M681 PolarHBondContact O-N 2.8Å
678	L	84.1	Confident	80.2	Confident	76 Å²	76	82.8 Å²	82.8	40%	0.398	42%	0.419	S	S	.	.	H	α-helix	trans	-60.4	-39.4	177.1	-73.6	171	0	0	0	112.5	V660 R674 M681 K682	V660-L678 HydrophobicContact CG1-CD2 3.93Å; V660-L678 HydrophobicContact CG1-CG 4.19Å; R674-L678 HydrophobicContact CG-CD1 4.11Å; R674-L678 WeakPolarHBondContact O-CG 3.45Å; R674-L678 PolarHBondContact O-N 3.04Å; R674-L678 VanDerWaalsContact O-N 3.15Å; L678-M681 HydrophobicContact CD2-SD 4.49Å; L678-M681 PolarHBondContact O-N 3.44Å; L678-K682 PolarHBondContact O-N 3.16Å; L678-K682 VanDerWaalsContact O-N 3.07Å
679	S	80.4	Confident	79.7	Confident	80 Å²	80	82 Å²	82	56%	0.559	43%	0.425	S	S	*	.	H	α-helix	trans	-63.2	-44.7	175.3	-175.3	0	0	0	0	111.9	T675 T676 L677 K682 R683	T675-S679 WeakPolarHBondContact O-CB 3.49Å; T675-S679 PolarHBondContact O-N 3.37Å; T675-S679 VanDerWaalsContact O-N 3.16Å; T676-S679 PolarHBondContact O-N 3.48Å; L677-S679 VanDerWaalsContact C-N 3.3Å; L677-S679 PolarHBondContact O-N 2.89Å; S679-K682 PolarHBondContact O-N 2.83Å; S679-R683 PolarHBondContact O-N 3.14Å
680	R	82.9	Confident	79.1	Confident	87 Å²	87	81.3 Å²	81.3	33%	0.328	44%	0.44	S	S	.	.	H	α-helix	trans	-64.4	-42.4	176.5	-71.5	179.2	-178.4	-153.9	12.2	112.3	E645 I649 T676 L677 K682 R683 L684	E645-R680 VanDerWaalsContact OE1-CD 3.26Å; E645-R680 WeakPolarHBondContact OE1-CD 3.25Å; E645-R680 IonicContact OE1-CZ 2.84Å; E645-R680 IonicContact OE1-NE 3.17Å; E645-R680 IonicContact OE1-NH1 3.71Å; E645-R680 PolarHBondContact OE1-NH1 3Å; I649-R680 HydrophobicContact CD1-CB 4.04Å; T676-R680 WeakPolarHBondContact O-CG 3.42Å; T676-R680 PolarHBondContact O-N 2.88Å; L677-R680 PolarHBondContact O-N 3Å; R680-K682 VanDerWaalsContact C-N 3.33Å; R680-K682 PolarHBondContact O-N 2.79Å; R680-R683 PolarHBondContact O-N 2.77Å; R680-L684 WeakPolarHBondContact O-CB 3.15Å; R680-L684 WeakPolarHBondContact O-CG 3.38Å; R680-L684 PolarHBondContact O-N 2.99Å
681	M	83.4	Confident	78.3	Confident	10 Å²	10	82.1 Å²	82.1	5%	0.049	44%	0.444	C	S	.	.	H	α-helix	trans	-58.1	-45.2	175.1	-72.1	173.8	67.3	0	0	111.6	I649 L653 V660 L677 L678 L684 G685 I686 K688	I649-M681 HydrophobicContact CG2-CG 4.12Å; L653-M681 HydrophobicContact CD1-CE 3.74Å; L653-M681 HydrophobicContact CD1-CG 4.41Å; L653-M681 HydrophobicContact CD1-SD 4.04Å; V660-M681 HydrophobicContact CG1-SD 4.27Å; V660-M681 HydrophobicContact CG2-CE 4.49Å; V660-M681 HydrophobicContact CG2-SD 4.34Å; L677-M681 HydrophobicContact CD1-CG 4.47Å; L677-M681 HydrophobicContact CG-CG 4.45Å; L677-M681 HydrophobicContact CG-SD 4.2Å; L677-M681 WeakPolarHBondContact O-CG 3.25Å; L677-M681 PolarHBondContact O-N 2.8Å; L678-M681 HydrophobicContact CD2-SD 4.49Å; L678-M681 PolarHBondContact O-N 3.44Å; M681-L684 PolarHBondContact O-N 3.23Å; M681-G685 PolarHBondContact O-N 2.96Å; M681-G685 VanDerWaalsContact O-N 3.08Å; M681-I686 HydrophobicContact CB-CB 4.18Å; M681-I686 HydrophobicContact CE-CG2 4.16Å; M681-I686 HydrophobicContact CG-CB 4.36Å; M681-I686 HydrophobicContact CG-CG2 4.43Å; M681-I686 PolarHBondContact O-N 3.21Å; M681-K688 HydrophobicContact CE-CB 4.36Å
682	K	83	Confident	77.2	Confident	189 Å²	189	86.9 Å²	86.9	82%	0.822	45%	0.454	S	S	*	.	H	α-helix	trans	-64.7	-41.4	177.5	-170.8	176.8	-179	179.8	0	112.1	L678 S679 R680 L684 G685	L678-K682 PolarHBondContact O-N 3.16Å; L678-K682 VanDerWaalsContact O-N 3.07Å; S679-K682 PolarHBondContact O-N 2.83Å; R680-K682 VanDerWaalsContact C-N 3.33Å; R680-K682 PolarHBondContact O-N 2.79Å; K682-L684 VanDerWaalsContact C-N 3.31Å; K682-L684 PolarHBondContact O-N 2.8Å; K682-G685 PolarHBondContact O-N 3.05Å
683	R	81	Confident	77	Confident	169 Å²	169	89.3 Å²	89.3	64%	0.638	47%	0.467	S	S	*	.	H	α-helix	trans	-62	-38.5	176.1	-177	177.9	70.7	171.1	1.7	112.3	E645 S679 R680	E645-R683 IonicContact OE1-NH2 3.39Å; E645-R683 IonicContact OE2-CZ 3.56Å; E645-R683 IonicContact OE2-NH2 3.01Å; E645-R683 PolarHBondContact OE2-NH2 3.4Å; S679-R683 PolarHBondContact O-N 3.14Å; R680-R683 PolarHBondContact O-N 2.77Å
684	L	84.5	Confident	76.9	Confident	48 Å²	48	85.4 Å²	85.4	25%	0.251	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1.7	-176.3	-68.4	170.6	0	0	0	113.6	E645 Y646 I649 R680 M681 K682 I686	E645-L684 HydrophobicContact CG-CD1 4.06Å; Y646-L684 HydrophobicContact CD2-CB 4.16Å; I649-L684 HydrophobicContact CD1-CD1 3.79Å; R680-L684 WeakPolarHBondContact O-CB 3.15Å; R680-L684 WeakPolarHBondContact O-CG 3.38Å; R680-L684 PolarHBondContact O-N 2.99Å; M681-L684 PolarHBondContact O-N 3.23Å; K682-L684 VanDerWaalsContact C-N 3.31Å; K682-L684 PolarHBondContact O-N 2.8Å; L684-I686 VanDerWaalsContact C-N 3.27Å; L684-I686 HydrophobicContact CB-CD1 3.86Å; L684-I686 HydrophobicContact CB-CG1 3.88Å; L684-I686 HydrophobicContact CD1-CD1 4.08Å; L684-I686 PolarHBondContact O-N 3.13Å
685	G	80.5	Confident	76.7	Confident	64 Å²	64	80.9 Å²	80.9	66%	0.66	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	24.7	-178.4	0	0	0	0	0	114.3	M681 K682 D687	M681-G685 PolarHBondContact O-N 2.96Å; M681-G685 VanDerWaalsContact O-N 3.08Å; K682-G685 PolarHBondContact O-N 3.05Å; G685-D687 PolarHBondContact O-N 2.81Å
686	I	81.4	Confident	76.5	Confident	11 Å²	11	79.6 Å²	79.6	6%	0.056	43%	0.433	C	S	.	.			trans	-84.3	102.4	-178.7	-59.6	174.1	0	0	0	109	Y646 I649 V650 L653 M681 L684 L691	Y646-I686 HydrophobicContact CD2-CD1 3.84Å; Y646-I686 HydrophobicContact CD2-CG1 3.61Å; Y646-I686 HydrophobicContact CE2-CD1 4.11Å; Y646-I686 HydrophobicContact CE2-CG1 3.42Å; Y646-I686 VanDerWaalsContact CE2-CG1 3.42Å; Y646-I686 HydrophobicContact CG-CD1 4.45Å; I649-I686 HydrophobicContact CB-CD1 3.98Å; I649-I686 HydrophobicContact CG2-CD1 3.68Å; V650-I686 HydrophobicContact CG2-CD1 4.1Å; V650-I686 HydrophobicContact CG2-CG1 4.33Å; V650-I686 HydrophobicContact CG2-CG2 4.28Å; L653-I686 HydrophobicContact CD1-CG2 3.89Å; M681-I686 HydrophobicContact CB-CB 4.18Å; M681-I686 HydrophobicContact CE-CG2 4.16Å; M681-I686 HydrophobicContact CG-CB 4.36Å; M681-I686 HydrophobicContact CG-CG2 4.43Å; M681-I686 PolarHBondContact O-N 3.21Å; L684-I686 VanDerWaalsContact C-N 3.27Å; L684-I686 HydrophobicContact CB-CD1 3.86Å; L684-I686 HydrophobicContact CB-CG1 3.88Å; L684-I686 HydrophobicContact CD1-CD1 4.08Å; L684-I686 PolarHBondContact O-N 3.13Å; I686-L691 HydrophobicContact CG2-CD1 3.53Å
687	D	76.2	Confident	76.3	Confident	94 Å²	94	81.3 Å²	81.3	50%	0.503	44%	0.44	S	S	.	.			trans	-86.7	124.8	170.8	-163.3	-28.9	0	0	0	110.6	G685 S689 A690	G685-D687 PolarHBondContact O-N 2.81Å; D687-S689 VanDerWaalsContact CG-OG 3.26Å; D687-S689 PolarHBondContact O-N 3Å; D687-S689 PolarHBondContact OD1-N 2.9Å; D687-S689 PolarHBondContact OD1-OG 2.77Å; D687-S689 PolarHBondContact OD2-OG 3.07Å; D687-A690 HydrophobicContact CB-CB 4.26Å; D687-A690 PolarHBondContact O-N 3.16Å
688	K	68.7	Low	75.9	Confident	99 Å²	99	86.7 Å²	86.7	43%	0.43	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-58.3	-35.4	176.2	175.3	180	165.7	167.4	0	111.8	G658 V660 M681 A690	G658-K688 WeakPolarHBondContact O-CD 3.21Å; G658-K688 WeakPolarHBondContact O-CE 3.36Å; G658-K688 PolarHBondContact O-NZ 3.16Å; V660-K688 HydrophobicContact CG2-CD 4.22Å; M681-K688 HydrophobicContact CE-CB 4.36Å; K688-A690 VanDerWaalsContact C-N 3.34Å
689	S	68.7	Low	75.3	Confident	89 Å²	89	87.4 Å²	87.4	62%	0.622	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-79.3	-14	-174.8	54.9	0	0	0	0	114.2	D687	D687-S689 VanDerWaalsContact CG-OG 3.26Å; D687-S689 PolarHBondContact O-N 3Å; D687-S689 PolarHBondContact OD1-N 2.9Å; D687-S689 PolarHBondContact OD1-OG 2.77Å; D687-S689 PolarHBondContact OD2-OG 3.07Å
690	A	66.8	Low	74.9	Confident	83 Å²	83	88 Å²	88	69%	0.686	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-92	-7.8	175.4	0	0	0	0	0	113.8	D687 K688	D687-A690 HydrophobicContact CB-CB 4.26Å; D687-A690 PolarHBondContact O-N 3.16Å; K688-A690 VanDerWaalsContact C-N 3.34Å
691	L	63.4	Low	74.2	Confident	43 Å²	43	88.1 Å²	88.1	23%	0.225	48%	0.479	C	S	.	.			trans	-102.4	-14.5	-173	-80.4	166.9	0	0	0	114.6	V650 L653 I686	V650-L691 HydrophobicContact CG1-CD2 3.6Å; V650-L691 HydrophobicContact CG2-CD1 4.26Å; V650-L691 HydrophobicContact CG2-CD2 4.25Å; L653-L691 HydrophobicContact CD1-CD1 4.25Å; I686-L691 HydrophobicContact CG2-CD1 3.53Å
692	I	53	Low	73.4	Confident	158 Å²	158	95.2 Å²	95.2	81%	0.81	52%	0.519	S	S	*	.			trans	-109.3	0	175.2	-48.9	172.1	0	0	0	106.3

Retrieved 692 of 692 residues in 497.5 ms (Link to these results)

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