A0A077ZJS0_TRITR Loading...

Cytochrome c oxidase subunit 1

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A077ZJS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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	38.6	Very low	68.7	Low	248 Å²	248	108.7 Å²	108.7	100%	1.222	61%	0.612	S	S	*	*				0	97.3	0	-91.9	156.2	167	0	0	108.5	F3	M1-F3 PolarHBondContact O-N 3.28Å; M1-F3 VanDerWaalsContact O-N 3.14Å
2	S	49.2	Very low	69.9	Low	119 Å²	119	107.8 Å²	107.8	83%	0.832	60%	0.603	S	S	*	*			trans	-75.8	96.9	171.3	37.8	0	0	0	0	108
3	F	52	Low	70.6	Confident	162 Å²	162	100.8 Å²	100.8	71%	0.711	57%	0.565	S	S	*	*			trans	-56.8	123.4	167.6	-146.6	-85.3	0	0	0	106.7	M1 L5 A8	M1-F3 PolarHBondContact O-N 3.28Å; M1-F3 VanDerWaalsContact O-N 3.14Å; F3-L5 PolarHBondContact O-N 3.4Å; F3-A8 HydrophobicContact CD1-CB 3.85Å; F3-A8 HydrophobicContact CE1-CB 4.13Å
4	P	68.6	Low	71.5	Confident	77 Å²	77	103.6 Å²	103.6	50%	0.5	57%	0.572	S	S	.	*			trans	-60.9	121.8	-177.8	26.3	-34.5	0	0	0	107.7	L6 P7 A8	P4-L6 PolarHBondContact O-N 3.42Å; P4-L6 VanDerWaalsContact O-N 3.16Å; P4-P7 HydrophobicContact CB-CG 4.05Å; P4-P7 HydrophobicContact CG-CB 4.22Å; P4-P7 HydrophobicContact CG-CG 3.68Å; P4-P7 VanDerWaalsContact O-CD 3.23Å; P4-P7 WeakPolarHBondContact O-CD 3.43Å; P4-A8 PolarHBondContact O-N 2.88Å
5	L	73.5	Confident	72.3	Confident	147 Å²	147	100.5 Å²	100.5	77%	0.77	56%	0.56	S	S	*	*	H	α-helix	trans	-57.1	-33.2	-173.1	-166.6	83.3	0	0	0	111.6	F3 F9	F3-L5 PolarHBondContact O-N 3.4Å; L5-F9 VanDerWaalsContact O-CB 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.48Å; L5-F9 PolarHBondContact O-N 3.21Å
6	L	74.2	Confident	73	Confident	144 Å²	144	99.7 Å²	99.7	75%	0.754	55%	0.553	S	S	*	*	H	α-helix	trans	-66.9	-53.8	-179	-105.7	71.5	0	0	0	113.3	P4 A8 F9 G10	P4-L6 PolarHBondContact O-N 3.42Å; P4-L6 VanDerWaalsContact O-N 3.16Å; L6-A8 VanDerWaalsContact C-N 3.3Å; L6-A8 PolarHBondContact O-N 3.07Å; L6-F9 PolarHBondContact O-N 3.28Å; L6-G10 PolarHBondContact O-N 3.46Å
7	P	79.5	Confident	73.5	Confident	74 Å²	74	97.1 Å²	97.1	48%	0.481	54%	0.538	S	S	.	.	H	α-helix	trans	-58.8	-37.3	173.5	-31.4	38.5	0	0	0	114	P4 G10 A11	P4-P7 HydrophobicContact CB-CG 4.05Å; P4-P7 HydrophobicContact CG-CB 4.22Å; P4-P7 HydrophobicContact CG-CG 3.68Å; P4-P7 VanDerWaalsContact O-CD 3.23Å; P4-P7 WeakPolarHBondContact O-CD 3.43Å; P7-G10 PolarHBondContact O-N 2.7Å; P7-A11 WeakPolarHBondContact O-CB 3.34Å; P7-A11 PolarHBondContact O-N 3.01Å
8	A	76.9	Confident	74	Confident	26 Å²	26	101.8 Å²	101.8	22%	0.215	55%	0.552	C	S	.	*	H	α-helix	trans	-62.8	-49.6	174.7	0	0	0	0	0	111.6	F3 P4 L6 G10 A11 I12	F3-A8 HydrophobicContact CD1-CB 3.85Å; F3-A8 HydrophobicContact CE1-CB 4.13Å; P4-A8 PolarHBondContact O-N 2.88Å; L6-A8 VanDerWaalsContact C-N 3.3Å; L6-A8 PolarHBondContact O-N 3.07Å; A8-G10 VanDerWaalsContact C-N 3.3Å; A8-G10 PolarHBondContact O-N 3.33Å; A8-A11 PolarHBondContact O-N 2.98Å; A8-I12 WeakPolarHBondContact O-CB 3.45Å; A8-I12 WeakPolarHBondContact O-CD1 3.34Å; A8-I12 WeakPolarHBondContact O-CG1 3.21Å; A8-I12 PolarHBondContact O-N 3.22Å
9	F	80	Confident	74.5	Confident	115 Å²	115	103.9 Å²	103.9	50%	0.504	56%	0.561	S	S	.	*	H	α-helix	trans	-59.5	-41.4	176.5	-179.7	-100	0	0	0	112	L5 L6 I12 S13 F26	L5-F9 VanDerWaalsContact O-CB 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.48Å; L5-F9 PolarHBondContact O-N 3.21Å; L6-F9 PolarHBondContact O-N 3.28Å; F9-I12 PolarHBondContact O-N 2.66Å; F9-S13 VanDerWaalsContact O-CB 3.3Å; F9-S13 WeakPolarHBondContact O-CB 3.5Å; F9-S13 PolarHBondContact O-N 3.12Å; F9-S13 PolarHBondContact O-OG 2.88Å; F9-F26 HydrophobicContact CE1-CE2 4.21Å; F9-F26 HydrophobicContact CE2-CE2 4.32Å; F9-F26 AromaticContact CE2-CZ 3.89Å; F9-F26 HydrophobicContact CE2-CZ 3.89Å; F9-F26 AromaticContact CZ-CE2 3.5Å; F9-F26 HydrophobicContact CZ-CE2 3.5Å; F9-F26 AromaticContact CZ-CZ 3.53Å; F9-F26 HydrophobicContact CZ-CZ 3.53Å
10	G	80.2	Confident	74.8	Confident	25 Å²	25	101.3 Å²	101.3	26%	0.258	55%	0.554	S	S	.	*	H	α-helix	trans	-58.2	-53.2	174.4	0	0	0	0	0	112.4	L6 P7 A8 I12 S13 E14	L6-G10 PolarHBondContact O-N 3.46Å; P7-G10 PolarHBondContact O-N 2.7Å; A8-G10 VanDerWaalsContact C-N 3.3Å; A8-G10 PolarHBondContact O-N 3.33Å; G10-I12 VanDerWaalsContact C-N 3.33Å; G10-I12 PolarHBondContact O-N 3.45Å; G10-S13 WeakPolarHBondContact CA-OG 3.48Å; G10-S13 PolarHBondContact O-N 3.35Å; G10-S13 VanDerWaalsContact O-N 3.1Å; G10-S13 PolarHBondContact O-OG 3.38Å; G10-E14 PolarHBondContact O-N 3.12Å
11	A	82.9	Confident	75	Confident	59 Å²	59	99.6 Å²	99.6	49%	0.488	56%	0.561	S	S	.	*	H	α-helix	trans	-61.6	-39.2	179.5	0	0	0	0	0	112.8	P7 A8 S15	P7-A11 WeakPolarHBondContact O-CB 3.34Å; P7-A11 PolarHBondContact O-N 3.01Å; A8-A11 PolarHBondContact O-N 2.98Å; A11-S15 WeakPolarHBondContact O-CB 3.38Å; A11-S15 PolarHBondContact O-N 3.14Å; A11-S15 VanDerWaalsContact O-N 3.08Å; A11-S15 PolarHBondContact O-OG 2.98Å
12	I	83.7	Confident	76.8	Confident	97 Å²	97	94.4 Å²	94.4	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-42	174.8	-65	163.2	0	0	0	110.4	A8 F9 G10 E14 S15 I16	A8-I12 WeakPolarHBondContact O-CB 3.45Å; A8-I12 WeakPolarHBondContact O-CD1 3.34Å; A8-I12 WeakPolarHBondContact O-CG1 3.21Å; A8-I12 PolarHBondContact O-N 3.22Å; F9-I12 PolarHBondContact O-N 2.66Å; G10-I12 VanDerWaalsContact C-N 3.33Å; G10-I12 PolarHBondContact O-N 3.45Å; I12-E14 PolarHBondContact O-N 2.86Å; I12-S15 WeakPolarHBondContact CA-OG 3.16Å; I12-S15 PolarHBondContact O-N 3.39Å; I12-S15 PolarHBondContact O-OG 2.76Å; I12-I16 HydrophobicContact CG2-CD1 3.65Å; I12-I16 HydrophobicContact CG2-CG1 4.41Å; I12-I16 WeakPolarHBondContact O-CB 3.45Å; I12-I16 WeakPolarHBondContact O-CD1 3.27Å; I12-I16 VanDerWaalsContact O-CG1 3.22Å; I12-I16 WeakPolarHBondContact O-CG1 3.41Å; I12-I16 PolarHBondContact O-N 3.15Å
13	S	79.2	Confident	78	Confident	17 Å²	17	98.8 Å²	98.8	12%	0.119	54%	0.536	C	S	.	.	H	α-helix	trans	-64.3	-41.4	179.7	69.5	0	0	0	0	113.2	F9 G10 I17 V25	F9-S13 VanDerWaalsContact O-CB 3.3Å; F9-S13 WeakPolarHBondContact O-CB 3.5Å; F9-S13 PolarHBondContact O-N 3.12Å; F9-S13 PolarHBondContact O-OG 2.88Å; G10-S13 WeakPolarHBondContact CA-OG 3.48Å; G10-S13 PolarHBondContact O-N 3.35Å; G10-S13 VanDerWaalsContact O-N 3.1Å; G10-S13 PolarHBondContact O-OG 3.38Å; S13-I17 WeakPolarHBondContact O-CG1 3.34Å; S13-I17 PolarHBondContact O-N 3.32Å; S13-V25 VanDerWaalsContact CB-CG1 3.48Å
14	E	82.3	Confident	78.9	Confident	141 Å²	141	98.8 Å²	98.8	66%	0.659	54%	0.535	S	S	*	.	H	α-helix	trans	-69.7	-42.6	178.2	-73.1	-177.2	172.2	0	0	112	G10 I12 I16 I17 F18	G10-E14 PolarHBondContact O-N 3.12Å; I12-E14 PolarHBondContact O-N 2.86Å; E14-I16 VanDerWaalsContact C-N 3.32Å; E14-I16 PolarHBondContact O-N 3.48Å; E14-I17 PolarHBondContact O-N 3.4Å; E14-F18 WeakPolarHBondContact O-CB 3.47Å; E14-F18 PolarHBondContact O-N 3.47Å
15	S	83.8	Confident	78.8	Confident	56 Å²	56	97.5 Å²	97.5	39%	0.392	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-38.7	175.6	53.7	0	0	0	0	112.3	A11 I12 F18 I19	A11-S15 WeakPolarHBondContact O-CB 3.38Å; A11-S15 PolarHBondContact O-N 3.14Å; A11-S15 VanDerWaalsContact O-N 3.08Å; A11-S15 PolarHBondContact O-OG 2.98Å; I12-S15 WeakPolarHBondContact CA-OG 3.16Å; I12-S15 PolarHBondContact O-N 3.39Å; I12-S15 PolarHBondContact O-OG 2.76Å; S15-F18 PolarHBondContact O-N 3.2Å; S15-I19 WeakPolarHBondContact O-CB 3.06Å; S15-I19 WeakPolarHBondContact O-CD1 3.49Å; S15-I19 VanDerWaalsContact O-CG1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.5Å; S15-I19 PolarHBondContact O-N 2.76Å
16	I	82.8	Confident	78.4	Confident	88 Å²	88	95.3 Å²	95.3	45%	0.451	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-41.9	175.6	-67.5	167.8	0	0	0	111.7	I12 E14 F18 I19 A20	I12-I16 HydrophobicContact CG2-CD1 3.65Å; I12-I16 HydrophobicContact CG2-CG1 4.41Å; I12-I16 WeakPolarHBondContact O-CB 3.45Å; I12-I16 WeakPolarHBondContact O-CD1 3.27Å; I12-I16 VanDerWaalsContact O-CG1 3.22Å; I12-I16 WeakPolarHBondContact O-CG1 3.41Å; I12-I16 PolarHBondContact O-N 3.15Å; E14-I16 VanDerWaalsContact C-N 3.32Å; E14-I16 PolarHBondContact O-N 3.48Å; I16-F18 VanDerWaalsContact C-N 3.29Å; I16-F18 PolarHBondContact O-N 3.41Å; I16-I19 PolarHBondContact O-N 3.2Å; I16-A20 WeakPolarHBondContact O-CB 3.38Å; I16-A20 PolarHBondContact O-N 3.36Å
17	I	81.4	Confident	78.5	Confident	56 Å²	56	90.5 Å²	90.5	29%	0.287	50%	0.495	S	S	.	.	H	α-helix	trans	-54.9	-49.9	172.9	-79.3	-180	0	0	0	109.9	S13 E14 A20 G21 K22 V25	S13-I17 WeakPolarHBondContact O-CG1 3.34Å; S13-I17 PolarHBondContact O-N 3.32Å; E14-I17 PolarHBondContact O-N 3.4Å; I17-A20 PolarHBondContact O-N 3.14Å; I17-G21 PolarHBondContact O-N 2.97Å; I17-K22 WeakPolarHBondContact CG2-O 3.39Å; I17-V25 HydrophobicContact CD1-CB 4.02Å; I17-V25 HydrophobicContact CD1-CG2 3.21Å; I17-V25 HydrophobicContact CG1-CB 4.16Å; I17-V25 HydrophobicContact CG1-CG2 3.82Å
18	F	82.9	Confident	78.5	Confident	181 Å²	181	91.9 Å²	91.9	79%	0.794	50%	0.504	S	S	*	.	H	α-helix	trans	-62.4	-44.7	-176.1	-176.9	-98.5	0	0	0	111.6	E14 S15 I16	E14-F18 WeakPolarHBondContact O-CB 3.47Å; E14-F18 PolarHBondContact O-N 3.47Å; S15-F18 PolarHBondContact O-N 3.2Å; I16-F18 VanDerWaalsContact C-N 3.29Å; I16-F18 PolarHBondContact O-N 3.41Å
19	I	83.9	Confident	78.6	Confident	142 Å²	142	97.8 Å²	97.8	73%	0.728	53%	0.532	S	S	*	.	H	α-helix	trans	-68.7	-39.2	178.6	-67.5	165.6	0	0	0	111.7	S15 I16	S15-I19 WeakPolarHBondContact O-CB 3.06Å; S15-I19 WeakPolarHBondContact O-CD1 3.49Å; S15-I19 VanDerWaalsContact O-CG1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.5Å; S15-I19 PolarHBondContact O-N 2.76Å; I16-I19 PolarHBondContact O-N 3.2Å
20	A	81	Confident	78.6	Confident	51 Å²	51	93.6 Å²	93.6	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-85.4	-10.6	-173.9	0	0	0	0	0	114.1	I16 I17 K22	I16-A20 WeakPolarHBondContact O-CB 3.38Å; I16-A20 PolarHBondContact O-N 3.36Å; I17-A20 PolarHBondContact O-N 3.14Å; A20-K22 HydrophobicContact CB-CB 4.46Å; A20-K22 HydrophobicContact CB-CD 4.16Å; A20-K22 HydrophobicContact CB-CG 4.01Å; A20-K22 PolarHBondContact O-N 3.46Å; A20-K22 VanDerWaalsContact O-N 3.17Å
21	G	78.8	Confident	78.6	Confident	67 Å²	67	97.6 Å²	97.6	69%	0.691	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	20.5	-175.7	0	0	0	0	0	113.9	I17	I17-G21 PolarHBondContact O-N 2.97Å
22	K	75.2	Confident	78.5	Confident	139 Å²	139	99.1 Å²	99.1	60%	0.604	53%	0.533	S	S	*	.			trans	-90.4	139.8	-176.1	-70.6	-177.8	178.6	177.4	0	110.7	I17 A20 K24	I17-K22 WeakPolarHBondContact CG2-O 3.39Å; A20-K22 HydrophobicContact CB-CB 4.46Å; A20-K22 HydrophobicContact CB-CD 4.16Å; A20-K22 HydrophobicContact CB-CG 4.01Å; A20-K22 PolarHBondContact O-N 3.46Å; A20-K22 VanDerWaalsContact O-N 3.17Å; K22-K24 PolarHBondContact O-N 2.98Å
23	F	75.1	Confident	78.6	Confident	211 Å²	211	103 Å²	103	93%	0.925	54%	0.542	S	S	*	.	S	Bend	trans	-68.5	-11.5	174.9	-67.8	-77.1	0	0	0	114.6
24	K	71.8	Confident	78.6	Confident	161 Å²	161	103.8 Å²	103.8	70%	0.7	55%	0.55	S	S	*	.	S	Bend	trans	-139.4	136.8	-176.6	-63.1	-178.8	-179.3	178	0	110	K22 F26	K22-K24 PolarHBondContact O-N 2.98Å; K24-F26 VanDerWaalsContact C-N 3.32Å; K24-F26 PolarHBondContact O-N 2.9Å
25	V	66	Low	78.5	Confident	51 Å²	51	102.2 Å²	102.2	31%	0.309	55%	0.545	S	S	.	.	S	Bend	trans	-55.6	-49.8	177.5	-174.2	0	0	0	0	110.5	S13 I17	S13-V25 VanDerWaalsContact CB-CG1 3.48Å; I17-V25 HydrophobicContact CD1-CB 4.02Å; I17-V25 HydrophobicContact CD1-CG2 3.21Å; I17-V25 HydrophobicContact CG1-CB 4.16Å; I17-V25 HydrophobicContact CG1-CG2 3.82Å
26	F	64.9	Low	78.4	Confident	101 Å²	101	105.1 Å²	105.1	44%	0.443	55%	0.554	S	S	.	*	S	Bend	trans	-119.1	129.9	-175.1	-65.3	-75	0	0	0	109.6	F9 K24	F9-F26 HydrophobicContact CE1-CE2 4.21Å; F9-F26 HydrophobicContact CE2-CE2 4.32Å; F9-F26 AromaticContact CE2-CZ 3.89Å; F9-F26 HydrophobicContact CE2-CZ 3.89Å; F9-F26 AromaticContact CZ-CE2 3.5Å; F9-F26 HydrophobicContact CZ-CE2 3.5Å; F9-F26 AromaticContact CZ-CZ 3.53Å; F9-F26 HydrophobicContact CZ-CZ 3.53Å; K24-F26 VanDerWaalsContact C-N 3.32Å; K24-F26 PolarHBondContact O-N 2.9Å
27	G	76.9	Confident	78.2	Confident	42 Å²	42	103.2 Å²	103.2	43%	0.433	55%	0.549	S	S	.	.			trans	-70.7	165.9	163.5	0	0	0	0	0	110.9	L29 G30 M31	G27-L29 PolarHBondContact O-N 3.27Å; G27-L29 VanDerWaalsContact O-N 3.16Å; G27-G30 PolarHBondContact O-N 3.49Å; G27-M31 PolarHBondContact O-N 3.1Å; G27-M31 VanDerWaalsContact O-N 3.08Å
28	P	79.2	Confident	78.2	Confident	103 Å²	103	106.2 Å²	106.2	67%	0.669	56%	0.564	S	S	*	*	H	α-helix	trans	-51.4	-40.9	178.5	-26.9	34.2	0	0	0	113.1	G30 M31 I32	P28-G30 PolarHBondContact O-N 3.3Å; P28-M31 PolarHBondContact O-N 3.1Å; P28-I32 VanDerWaalsContact O-CG1 3.29Å; P28-I32 WeakPolarHBondContact O-CG1 3.27Å; P28-I32 PolarHBondContact O-N 2.82Å
29	L	79.5	Confident	77.6	Confident	151 Å²	151	99.7 Å²	99.7	79%	0.791	55%	0.548	S	S	*	.	H	α-helix	trans	-61.2	-41.6	175.8	-73.2	164.1	0	0	0	113	G27 I32 Y33	G27-L29 PolarHBondContact O-N 3.27Å; G27-L29 VanDerWaalsContact O-N 3.16Å; L29-I32 PolarHBondContact O-N 3.32Å; L29-Y33 WeakPolarHBondContact O-CB 3.5Å; L29-Y33 PolarHBondContact O-N 3.46Å
30	G	78.8	Confident	77.1	Confident	26 Å²	26	97.7 Å²	97.7	27%	0.268	54%	0.537	S	S	.	.	H	α-helix	trans	-69.1	-37.2	179.5	0	0	0	0	0	112.4	G27 P28 Y33 A34	G27-G30 PolarHBondContact O-N 3.49Å; P28-G30 PolarHBondContact O-N 3.3Å; G30-Y33 PolarHBondContact O-N 3.01Å; G30-A34 WeakPolarHBondContact O-CB 3.32Å; G30-A34 PolarHBondContact O-N 2.64Å
31	M	79.9	Confident	76.5	Confident	109 Å²	109	101.5 Å²	101.5	54%	0.537	55%	0.55	S	S	.	.	H	α-helix	trans	-66	-43.6	174.4	-173.7	176.6	71.3	0	0	111.6	G27 P28 A34 I35	G27-M31 PolarHBondContact O-N 3.1Å; G27-M31 VanDerWaalsContact O-N 3.08Å; P28-M31 PolarHBondContact O-N 3.1Å; M31-A34 PolarHBondContact O-N 3.29Å; M31-I35 HydrophobicContact CG-CD1 3.89Å; M31-I35 VanDerWaalsContact O-CG1 3.26Å; M31-I35 WeakPolarHBondContact O-CG1 3.41Å; M31-I35 PolarHBondContact O-N 2.87Å
32	I	82.1	Confident	75.8	Confident	92 Å²	92	99.5 Å²	99.5	47%	0.472	53%	0.529	S	S	.	.	H	α-helix	trans	-61	-46.4	175.5	-68	165.1	0	0	0	110.4	P28 L29 A34 I35 M36	P28-I32 VanDerWaalsContact O-CG1 3.29Å; P28-I32 WeakPolarHBondContact O-CG1 3.27Å; P28-I32 PolarHBondContact O-N 2.82Å; L29-I32 PolarHBondContact O-N 3.32Å; I32-A34 PolarHBondContact O-N 3Å; I32-I35 PolarHBondContact O-N 3.5Å; I32-M36 HydrophobicContact CG2-CG 4.37Å; I32-M36 HydrophobicContact CG2-SD 3.91Å; I32-M36 WeakPolarHBondContact O-CB 3.34Å; I32-M36 WeakPolarHBondContact O-CG 3.44Å; I32-M36 PolarHBondContact O-N 3.04Å
33	Y	84.5	Confident	75.1	Confident	177 Å²	177	96.5 Å²	96.5	69%	0.694	53%	0.525	S	S	*	.	H	α-helix	trans	-59.6	-43.8	176.7	-178.3	-96.9	0	0	0	112.2	L29 G30 M36 S37	L29-Y33 WeakPolarHBondContact O-CB 3.5Å; L29-Y33 PolarHBondContact O-N 3.46Å; G30-Y33 PolarHBondContact O-N 3.01Å; Y33-M36 PolarHBondContact O-N 2.99Å; Y33-S37 VanDerWaalsContact O-CB 3.32Å; Y33-S37 WeakPolarHBondContact O-CB 3.23Å; Y33-S37 PolarHBondContact O-N 2.87Å; Y33-S37 PolarHBondContact O-OG 3.4Å
34	A	79	Confident	74.4	Confident	34 Å²	34	94.4 Å²	94.4	28%	0.281	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-48.4	177.2	0	0	0	0	0	111.8	G30 M31 I32 M36 S37 I38	G30-A34 WeakPolarHBondContact O-CB 3.32Å; G30-A34 PolarHBondContact O-N 2.64Å; M31-A34 PolarHBondContact O-N 3.29Å; I32-A34 PolarHBondContact O-N 3Å; A34-M36 PolarHBondContact O-N 3.47Å; A34-S37 PolarHBondContact O-N 3.22Å; A34-S37 PolarHBondContact O-OG 3.31Å; A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.43Å; A34-I38 PolarHBondContact O-N 3.07Å
35	I	82.1	Confident	74.3	Confident	109 Å²	109	89.8 Å²	89.8	56%	0.559	50%	0.501	S	S	*	.	H	α-helix	trans	-60.7	-44.7	178.3	-66.3	165.3	0	0	0	110.8	M31 I32 G39	M31-I35 HydrophobicContact CG-CD1 3.89Å; M31-I35 VanDerWaalsContact O-CG1 3.26Å; M31-I35 WeakPolarHBondContact O-CG1 3.41Å; M31-I35 PolarHBondContact O-N 2.87Å; I32-I35 PolarHBondContact O-N 3.5Å; I35-G39 PolarHBondContact O-N 3.16Å
36	M	81.6	Confident	74.1	Confident	116 Å²	116	91.7 Å²	91.7	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-64.1	-42.4	177.1	-72	-178.4	69.2	0	0	112.2	I32 Y33 A34 G39 I40	I32-M36 HydrophobicContact CG2-CG 4.37Å; I32-M36 HydrophobicContact CG2-SD 3.91Å; I32-M36 WeakPolarHBondContact O-CB 3.34Å; I32-M36 WeakPolarHBondContact O-CG 3.44Å; I32-M36 PolarHBondContact O-N 3.04Å; Y33-M36 PolarHBondContact O-N 2.99Å; A34-M36 PolarHBondContact O-N 3.47Å; M36-G39 PolarHBondContact O-N 2.89Å; M36-I40 WeakPolarHBondContact O-CG1 3.4Å; M36-I40 PolarHBondContact O-N 3.23Å
37	S	78.5	Confident	74	Confident	49 Å²	49	90.8 Å²	90.8	34%	0.343	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-40.6	-179.9	70.7	0	0	0	0	112.5	Y33 A34 G39 I40 L41	Y33-S37 VanDerWaalsContact O-CB 3.32Å; Y33-S37 WeakPolarHBondContact O-CB 3.23Å; Y33-S37 PolarHBondContact O-N 2.87Å; Y33-S37 PolarHBondContact O-OG 3.4Å; A34-S37 PolarHBondContact O-N 3.22Å; A34-S37 PolarHBondContact O-OG 3.31Å; S37-G39 VanDerWaalsContact C-N 3.35Å; S37-I40 PolarHBondContact O-N 3.29Å; S37-L41 VanDerWaalsContact O-CB 3.24Å; S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 PolarHBondContact O-N 2.7Å
38	I	80.2	Confident	73.5	Confident	118 Å²	118	91.7 Å²	91.7	61%	0.605	51%	0.507	S	S	*	.	H	α-helix	trans	-66.6	-39.8	175.6	-65.2	163.3	0	0	0	110.1	A34 G42	A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.43Å; A34-I38 PolarHBondContact O-N 3.07Å; I38-G42 PolarHBondContact O-N 2.9Å
39	G	71.1	Confident	72.7	Confident	44 Å²	44	92.3 Å²	92.3	45%	0.454	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-48.1	175	0	0	0	0	0	112.6	I35 M36 S37 G42 C43	I35-G39 PolarHBondContact O-N 3.16Å; M36-G39 PolarHBondContact O-N 2.89Å; S37-G39 VanDerWaalsContact C-N 3.35Å; G39-G42 PolarHBondContact O-N 2.91Å; G39-C43 PolarHBondContact O-N 3.44Å; G39-C43 VanDerWaalsContact O-N 3.16Å; G39-C43 PolarHBondContact O-SG 2.85Å
40	I	73.4	Confident	72.2	Confident	100 Å²	100	92.9 Å²	92.9	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-45.7	179	-66.4	166.4	0	0	0	110.9	M36 S37 G42 C43 F44	M36-I40 WeakPolarHBondContact O-CG1 3.4Å; M36-I40 PolarHBondContact O-N 3.23Å; S37-I40 PolarHBondContact O-N 3.29Å; I40-G42 PolarHBondContact O-N 3.36Å; I40-C43 WeakPolarHBondContact O-CB 3.31Å; I40-C43 PolarHBondContact O-N 2.98Å; I40-C43 VanDerWaalsContact O-N 3.09Å; I40-F44 HydrophobicContact CG2-CD2 4.35Å; I40-F44 HydrophobicContact CG2-CE2 4.01Å; I40-F44 VanDerWaalsContact O-CD2 3.27Å; I40-F44 WeakPolarHBondContact O-CD2 3.21Å
41	L	68.3	Low	71.6	Confident	131 Å²	131	92.9 Å²	92.9	69%	0.686	49%	0.491	S	S	*	.	H	α-helix	trans	-60.7	-37.8	176.7	-160.6	83.5	0	0	0	110.8	S37 C43 F44 V45	S37-L41 VanDerWaalsContact O-CB 3.24Å; S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 PolarHBondContact O-N 2.7Å; L41-C43 VanDerWaalsContact C-N 3.31Å; L41-C43 PolarHBondContact O-N 3.29Å; L41-F44 PolarHBondContact O-N 2.91Å; L41-F44 VanDerWaalsContact O-N 3.14Å; L41-V45 PolarHBondContact O-N 3.32Å
42	G	63.2	Low	71.2	Confident	25 Å²	25	91.9 Å²	91.9	26%	0.258	49%	0.487	S	S	.	.	H	α-helix	trans	-56.2	-41	173	0	0	0	0	0	113.1	I38 G39 I40 F44 V45 M48	I38-G42 PolarHBondContact O-N 2.9Å; G39-G42 PolarHBondContact O-N 2.91Å; I40-G42 PolarHBondContact O-N 3.36Å; G42-F44 VanDerWaalsContact C-N 3.26Å; G42-F44 PolarHBondContact O-N 3.4Å; G42-V45 WeakPolarHBondContact O-CB 3.5Å; G42-V45 WeakPolarHBondContact O-CG2 3.4Å; G42-V45 PolarHBondContact O-N 2.98Å; G42-V45 VanDerWaalsContact O-N 3.15Å; G42-M48 WeakPolarHBondContact O-CB 3.46Å; G42-M48 WeakPolarHBondContact O-CG 3.47Å
43	C	62.1	Low	70.7	Confident	76 Å²	76	88.9 Å²	88.9	51%	0.514	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-29.7	177.2	-69.7	0	0	0	0	113.4	G39 I40 L41	G39-C43 PolarHBondContact O-N 3.44Å; G39-C43 VanDerWaalsContact O-N 3.16Å; G39-C43 PolarHBondContact O-SG 2.85Å; I40-C43 WeakPolarHBondContact O-CB 3.31Å; I40-C43 PolarHBondContact O-N 2.98Å; I40-C43 VanDerWaalsContact O-N 3.09Å; L41-C43 VanDerWaalsContact C-N 3.31Å; L41-C43 PolarHBondContact O-N 3.29Å
44	F	59.9	Low	70.1	Confident	168 Å²	168	82.4 Å²	82.4	74%	0.737	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.3	178.2	-68.3	-76.6	0	0	0	113.6	I40 L41 G42	I40-F44 HydrophobicContact CG2-CD2 4.35Å; I40-F44 HydrophobicContact CG2-CE2 4.01Å; I40-F44 VanDerWaalsContact O-CD2 3.27Å; I40-F44 WeakPolarHBondContact O-CD2 3.21Å; L41-F44 PolarHBondContact O-N 2.91Å; L41-F44 VanDerWaalsContact O-N 3.14Å; G42-F44 VanDerWaalsContact C-N 3.26Å; G42-F44 PolarHBondContact O-N 3.4Å
45	V	70	Confident	69.8	Low	64 Å²	64	85.4 Å²	85.4	39%	0.388	47%	0.465	S	S	.	.	S	Bend	trans	-65.3	130.9	170.9	-180	0	0	0	0	107.7	L41 G42 L47 M48 L49	L41-V45 PolarHBondContact O-N 3.32Å; G42-V45 WeakPolarHBondContact O-CB 3.5Å; G42-V45 WeakPolarHBondContact O-CG2 3.4Å; G42-V45 PolarHBondContact O-N 2.98Å; G42-V45 VanDerWaalsContact O-N 3.15Å; V45-L47 HydrophobicContact CG1-CB 3.83Å; V45-L47 PolarHBondContact O-N 2.66Å; V45-M48 PolarHBondContact O-N 3.21Å; V45-L49 PolarHBondContact O-N 3.43Å
46	P	61.1	Low	69.8	Low	91 Å²	91	83.9 Å²	83.9	59%	0.591	46%	0.461	S	S	*	.	H	α-helix	trans	-48	-38	-180	-29	33.5	0	0	0	112.4	M48 L49 W50	P46-M48 PolarHBondContact O-N 2.89Å; P46-L49 WeakPolarHBondContact O-CB 3.22Å; P46-L49 PolarHBondContact O-N 3.14Å; P46-W50 PolarHBondContact O-N 3.25Å
47	L	62.3	Low	69.6	Low	81 Å²	81	82.3 Å²	82.3	42%	0.424	45%	0.454	S	S	.	.	H	α-helix	trans	-57.4	-42.8	176.7	-165.9	61	0	0	0	113.8	V45 W50 V51 F102	V45-L47 HydrophobicContact CG1-CB 3.83Å; V45-L47 PolarHBondContact O-N 2.66Å; L47-W50 PolarHBondContact O-N 3.43Å; L47-V51 VanDerWaalsContact O-CG2 3.32Å; L47-V51 WeakPolarHBondContact O-CG2 3.3Å; L47-V51 PolarHBondContact O-N 3.16Å; L47-F102 HydrophobicContact CD1-CD1 4.46Å; L47-F102 HydrophobicContact CD1-CD2 3.7Å; L47-F102 HydrophobicContact CD1-CE2 3.94Å; L47-F102 HydrophobicContact CD1-CG 3.99Å; L47-F102 HydrophobicContact CD1-CZ 4.39Å; L47-F102 HydrophobicContact CD2-CD2 3.64Å; L47-F102 HydrophobicContact CD2-CE2 3.11Å; L47-F102 HydrophobicContact CD2-CZ 3.72Å; L47-F102 HydrophobicContact CG-CD2 3.87Å; L47-F102 HydrophobicContact CG-CE1 4.33Å; L47-F102 HydrophobicContact CG-CE2 3.54Å; L47-F102 HydrophobicContact CG-CG 4.4Å; L47-F102 HydrophobicContact CG-CZ 3.77Å
48	M	66	Low	69.8	Low	61 Å²	61	84.4 Å²	84.4	30%	0.3	46%	0.458	S	S	.	.	H	α-helix	trans	-72.4	-35.7	177.1	-70.1	-59.7	150.5	0	0	111.6	G42 V45 P46 W50 V51 I52 F102	G42-M48 WeakPolarHBondContact O-CB 3.46Å; G42-M48 WeakPolarHBondContact O-CG 3.47Å; V45-M48 PolarHBondContact O-N 3.21Å; P46-M48 PolarHBondContact O-N 2.89Å; M48-W50 VanDerWaalsContact C-N 3.31Å; M48-W50 PolarHBondContact O-N 2.86Å; M48-V51 PolarHBondContact O-N 2.83Å; M48-I52 VanDerWaalsContact O-CG1 3.32Å; M48-I52 WeakPolarHBondContact O-CG1 3.23Å; M48-I52 PolarHBondContact O-N 2.78Å; M48-F102 HydrophobicContact CE-CZ 3.9Å
49	L	63.4	Low	69.9	Low	117 Å²	117	82.5 Å²	82.5	61%	0.613	45%	0.451	S	S	*	.	H	α-helix	trans	-61.8	-40	174.1	-174.4	63.5	0	0	0	111.8	V45 P46 I52 G53	V45-L49 PolarHBondContact O-N 3.43Å; P46-L49 WeakPolarHBondContact O-CB 3.22Å; P46-L49 PolarHBondContact O-N 3.14Å; L49-I52 PolarHBondContact O-N 3.28Å; L49-G53 PolarHBondContact O-N 3Å
50	W	68.8	Low	70.6	Confident	163 Å²	163	84 Å²	84	62%	0.617	45%	0.448	S	S	*	.	H	α-helix	trans	-64.8	-39.1	174.3	-85	95.5	0	0	0	112.7	P46 L47 M48 G53 F54 V95	P46-W50 PolarHBondContact O-N 3.25Å; L47-W50 PolarHBondContact O-N 3.43Å; M48-W50 VanDerWaalsContact C-N 3.31Å; M48-W50 PolarHBondContact O-N 2.86Å; W50-G53 PolarHBondContact O-N 3.41Å; W50-F54 WeakPolarHBondContact O-CB 3.5Å; W50-F54 PolarHBondContact O-N 3.09Å; W50-V95 HydrophobicContact CE3-CG1 4.12Å; W50-V95 HydrophobicContact CZ3-CG1 3.94Å; W50-V95 HydrophobicContact CZ3-CG2 4.13Å
51	V	65.8	Low	71.2	Confident	25 Å²	25	79.2 Å²	79.2	15%	0.152	42%	0.424	C	S	.	.	H	α-helix	trans	-64.9	-45.2	175.2	174.5	0	0	0	0	111	L47 M48 F54 L55 F102	L47-V51 VanDerWaalsContact O-CG2 3.32Å; L47-V51 WeakPolarHBondContact O-CG2 3.3Å; L47-V51 PolarHBondContact O-N 3.16Å; M48-V51 PolarHBondContact O-N 2.83Å; V51-F54 PolarHBondContact O-N 3.33Å; V51-L55 HydrophobicContact CG1-CD1 4.23Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 2.85Å; V51-F102 HydrophobicContact CG2-CD1 3.85Å; V51-F102 HydrophobicContact CG2-CE1 3.51Å
52	I	71.3	Confident	71.9	Confident	88 Å²	88	74.6 Å²	74.6	45%	0.451	41%	0.407	S	S	.	.	H	α-helix	trans	-61.7	-47	176.2	-67.2	165.6	0	0	0	110.1	M48 L49 F54 L55 V56	M48-I52 VanDerWaalsContact O-CG1 3.32Å; M48-I52 WeakPolarHBondContact O-CG1 3.23Å; M48-I52 PolarHBondContact O-N 2.78Å; L49-I52 PolarHBondContact O-N 3.28Å; I52-F54 VanDerWaalsContact C-N 3.33Å; I52-F54 PolarHBondContact O-N 3.23Å; I52-L55 PolarHBondContact O-N 3.21Å; I52-V56 WeakPolarHBondContact O-CG2 3.44Å; I52-V56 PolarHBondContact O-N 3.18Å
53	G	71.6	Confident	73.2	Confident	30 Å²	30	79.3 Å²	79.3	31%	0.309	43%	0.426	S	S	.	.	H	α-helix	trans	-57.9	-43.4	177.7	0	0	0	0	0	112.6	L49 W50 V56 L57	L49-G53 PolarHBondContact O-N 3Å; W50-G53 PolarHBondContact O-N 3.41Å; G53-V56 PolarHBondContact O-N 3.44Å; G53-L57 WeakPolarHBondContact O-CB 3.36Å; G53-L57 WeakPolarHBondContact O-CD1 3.24Å; G53-L57 WeakPolarHBondContact O-CG 3.37Å; G53-L57 PolarHBondContact O-N 3.35Å
54	F	73.1	Confident	74.5	Confident	40 Å²	40	76.9 Å²	76.9	18%	0.175	41%	0.409	C	S	.	.	H	α-helix	trans	-65.6	-44.3	174	172.8	-96.9	0	0	0	112.8	W50 V51 I52 V56 L57 F58 M99	W50-F54 WeakPolarHBondContact O-CB 3.5Å; W50-F54 PolarHBondContact O-N 3.09Å; V51-F54 PolarHBondContact O-N 3.33Å; I52-F54 VanDerWaalsContact C-N 3.33Å; I52-F54 PolarHBondContact O-N 3.23Å; F54-V56 PolarHBondContact O-N 3.47Å; F54-L57 PolarHBondContact O-N 2.86Å; F54-F58 HydrophobicContact CD1-CB 4.29Å; F54-F58 HydrophobicContact CD2-CB 4.4Å; F54-F58 HydrophobicContact CE1-CB 3.95Å; F54-F58 HydrophobicContact CE1-CD2 4.44Å; F54-F58 HydrophobicContact CE1-CG 4.08Å; F54-F58 HydrophobicContact CE2-CB 4.07Å; F54-F58 HydrophobicContact CE2-CD2 4.09Å; F54-F58 HydrophobicContact CE2-CG 4.33Å; F54-F58 HydrophobicContact CZ-CB 3.83Å; F54-F58 AromaticContact CZ-CD2 3.69Å; F54-F58 HydrophobicContact CZ-CD2 3.69Å; F54-F58 HydrophobicContact CZ-CE2 4.41Å; F54-F58 AromaticContact CZ-CG 3.77Å; F54-F58 HydrophobicContact CZ-CG 3.77Å; F54-F58 WeakPolarHBondContact O-CA 3.13Å; F54-F58 WeakPolarHBondContact O-CB 3.29Å; F54-F58 PolarHBondContact O-N 3.46Å; F54-M99 HydrophobicContact CB-CE 3.1Å; F54-M99 HydrophobicContact CB-SD 3.63Å; F54-M99 HydrophobicContact CD1-CE 3.65Å; F54-M99 HydrophobicContact CD2-CE 3.9Å; F54-M99 HydrophobicContact CD2-SD 3.7Å; F54-M99 HydrophobicContact CG-CE 3.26Å; F54-M99 HydrophobicContact CG-SD 3.7Å
55	L	73.1	Confident	75.8	Confident	97 Å²	97	69.7 Å²	69.7	51%	0.508	38%	0.382	S	S	.	.	H	α-helix	trans	-58.6	-37.6	177.7	-75	171.6	0	0	0	110.8	V51 I52 T59	V51-L55 HydrophobicContact CG1-CD1 4.23Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 2.85Å; I52-L55 PolarHBondContact O-N 3.21Å; L55-T59 VanDerWaalsContact O-CB 3.25Å; L55-T59 WeakPolarHBondContact O-CB 3.13Å; L55-T59 WeakPolarHBondContact O-CG2 3.32Å; L55-T59 PolarHBondContact O-N 3.45Å; L55-T59 PolarHBondContact O-OG1 3.2Å
56	V	80.2	Confident	76.7	Confident	77 Å²	77	71.3 Å²	71.3	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-51.6	174	174.5	0	0	0	0	111.7	I52 G53 F54 F58 T59 I60	I52-V56 WeakPolarHBondContact O-CG2 3.44Å; I52-V56 PolarHBondContact O-N 3.18Å; G53-V56 PolarHBondContact O-N 3.44Å; F54-V56 PolarHBondContact O-N 3.47Å; V56-F58 PolarHBondContact O-N 2.77Å; V56-T59 WeakPolarHBondContact CA-OG1 3.37Å; V56-T59 PolarHBondContact O-N 3.42Å; V56-T59 PolarHBondContact O-OG1 3.5Å; V56-I60 HydrophobicContact CG1-CD1 3.85Å; V56-I60 WeakPolarHBondContact O-CD1 3.48Å; V56-I60 VanDerWaalsContact O-CG1 3.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.21Å; V56-I60 PolarHBondContact O-N 2.86Å
57	L	78	Confident	78	Confident	83 Å²	83	68.4 Å²	68.4	44%	0.435	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-40.3	-179.7	-77.5	152.3	0	0	0	112.4	G53 F54 I60 G61 F89	G53-L57 WeakPolarHBondContact O-CB 3.36Å; G53-L57 WeakPolarHBondContact O-CD1 3.24Å; G53-L57 WeakPolarHBondContact O-CG 3.37Å; G53-L57 PolarHBondContact O-N 3.35Å; F54-L57 PolarHBondContact O-N 2.86Å; L57-I60 PolarHBondContact O-N 2.91Å; L57-G61 PolarHBondContact O-N 2.94Å; L57-F89 HydrophobicContact CD2-CD1 3.6Å; L57-F89 HydrophobicContact CD2-CE1 3.83Å
58	F	82.2	Confident	79.2	Confident	94 Å²	94	65.8 Å²	65.8	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-73.8	-34.8	179.4	-172.8	-98.1	0	0	0	112.1	F54 V56 G61 G62 V90	F54-F58 HydrophobicContact CD1-CB 4.29Å; F54-F58 HydrophobicContact CD2-CB 4.4Å; F54-F58 HydrophobicContact CE1-CB 3.95Å; F54-F58 HydrophobicContact CE1-CD2 4.44Å; F54-F58 HydrophobicContact CE1-CG 4.08Å; F54-F58 HydrophobicContact CE2-CB 4.07Å; F54-F58 HydrophobicContact CE2-CD2 4.09Å; F54-F58 HydrophobicContact CE2-CG 4.33Å; F54-F58 HydrophobicContact CZ-CB 3.83Å; F54-F58 AromaticContact CZ-CD2 3.69Å; F54-F58 HydrophobicContact CZ-CD2 3.69Å; F54-F58 HydrophobicContact CZ-CE2 4.41Å; F54-F58 AromaticContact CZ-CG 3.77Å; F54-F58 HydrophobicContact CZ-CG 3.77Å; F54-F58 WeakPolarHBondContact O-CA 3.13Å; F54-F58 WeakPolarHBondContact O-CB 3.29Å; F54-F58 PolarHBondContact O-N 3.46Å; V56-F58 PolarHBondContact O-N 2.77Å; F58-G61 PolarHBondContact O-N 3.01Å; F58-G62 PolarHBondContact O-N 2.93Å; F58-V90 HydrophobicContact CE2-CG1 4.41Å
59	T	82.3	Confident	80.3	Confident	78 Å²	78	67.4 Å²	67.4	48%	0.479	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-40.7	172.3	48.8	0	0	0	0	111.2	L55 V56 G62 L63	L55-T59 VanDerWaalsContact O-CB 3.25Å; L55-T59 WeakPolarHBondContact O-CB 3.13Å; L55-T59 WeakPolarHBondContact O-CG2 3.32Å; L55-T59 PolarHBondContact O-N 3.45Å; L55-T59 PolarHBondContact O-OG1 3.2Å; V56-T59 WeakPolarHBondContact CA-OG1 3.37Å; V56-T59 PolarHBondContact O-N 3.42Å; V56-T59 PolarHBondContact O-OG1 3.5Å; T59-G62 PolarHBondContact O-N 3.39Å; T59-L63 WeakPolarHBondContact O-CB 3.42Å; T59-L63 VanDerWaalsContact O-CG 3.25Å; T59-L63 WeakPolarHBondContact O-CG 3.32Å; T59-L63 PolarHBondContact O-N 2.72Å
60	I	86.7	Confident	81.6	Confident	75 Å²	75	65.2 Å²	65.2	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-63.3	-45	172.3	-65.7	166.2	0	0	0	110.8	V56 L57 G62 L63 T64 F89	V56-I60 HydrophobicContact CG1-CD1 3.85Å; V56-I60 WeakPolarHBondContact O-CD1 3.48Å; V56-I60 VanDerWaalsContact O-CG1 3.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.21Å; V56-I60 PolarHBondContact O-N 2.86Å; L57-I60 PolarHBondContact O-N 2.91Å; I60-G62 PolarHBondContact O-N 3.27Å; I60-L63 PolarHBondContact O-N 2.93Å; I60-T64 WeakPolarHBondContact O-CG2 3.48Å; I60-T64 PolarHBondContact O-N 3.5Å; I60-T64 PolarHBondContact O-OG1 3.38Å; I60-F89 HydrophobicContact CG2-CD2 4.47Å; I60-F89 HydrophobicContact CG2-CE2 4.43Å
61	G	85.7	Confident	82.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-44.1	173.3	0	0	0	0	0	112.3	L57 F58 T64 G65 H86	L57-G61 PolarHBondContact O-N 2.94Å; F58-G61 PolarHBondContact O-N 3.01Å; G61-T64 WeakPolarHBondContact CA-OG1 3.32Å; G61-T64 PolarHBondContact O-N 3.43Å; G61-T64 PolarHBondContact O-OG1 2.8Å; G61-G65 PolarHBondContact O-N 3.27Å; G61-H86 PolarHBondContact O-CE1 3.19Å; G61-H86 PolarHBondContact O-ND1 2.97Å
62	G	84.2	Confident	83.9	Confident	33 Å²	33	63.9 Å²	63.9	34%	0.34	39%	0.388	S	S	.	.	H	α-helix	trans	-63.9	-45	176.7	0	0	0	0	0	112.5	F58 T59 I60 G65 V66	F58-G62 PolarHBondContact O-N 2.93Å; T59-G62 PolarHBondContact O-N 3.39Å; I60-G62 PolarHBondContact O-N 3.27Å; G62-G65 WeakPolarHBondContact O-CA 3.36Å; G62-G65 PolarHBondContact O-N 3.38Å; G62-G65 VanDerWaalsContact O-N 3.14Å; G62-V66 WeakPolarHBondContact O-CG2 3.38Å; G62-V66 PolarHBondContact O-N 2.93Å
63	L	89.1	Confident	84.6	Confident	124 Å²	124	63 Å²	63	65%	0.649	38%	0.384	S	S	*	.	H	α-helix	trans	-62.5	-43.5	176.9	-73.1	171.7	0	0	0	112.1	T59 I60 G65 V66 S67	T59-L63 WeakPolarHBondContact O-CB 3.42Å; T59-L63 VanDerWaalsContact O-CG 3.25Å; T59-L63 WeakPolarHBondContact O-CG 3.32Å; T59-L63 PolarHBondContact O-N 2.72Å; I60-L63 PolarHBondContact O-N 2.93Å; L63-G65 VanDerWaalsContact C-N 3.25Å; L63-G65 PolarHBondContact O-N 3.49Å; L63-V66 PolarHBondContact O-N 3.38Å; L63-S67 PolarHBondContact O-N 2.67Å; L63-S67 PolarHBondContact O-OG 3.39Å
64	T	89.2	Confident	85.5	Confident	25 Å²	25	64.3 Å²	64.3	15%	0.153	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-31.4	174.2	52	0	0	0	0	112.2	I60 G61 S67 L68 H86	I60-T64 WeakPolarHBondContact O-CG2 3.48Å; I60-T64 PolarHBondContact O-N 3.5Å; I60-T64 PolarHBondContact O-OG1 3.38Å; G61-T64 WeakPolarHBondContact CA-OG1 3.32Å; G61-T64 PolarHBondContact O-N 3.43Å; G61-T64 PolarHBondContact O-OG1 2.8Å; T64-S67 WeakPolarHBondContact CA-OG 3.48Å; T64-S67 PolarHBondContact O-N 3.23Å; T64-S67 PolarHBondContact O-OG 3.18Å; T64-L68 WeakPolarHBondContact O-CD1 3.09Å; T64-L68 PolarHBondContact O-N 3.33Å; T64-L68 VanDerWaalsContact O-N 3.14Å; T64-H86 PolarHBondContact OG1-ND1 3.3Å
65	G	87.5	Confident	86.1	Confident	17 Å²	17	69.6 Å²	69.6	18%	0.175	41%	0.413	C	S	.	.	H	α-helix	trans	-67.6	-36.3	172.8	0	0	0	0	0	113.5	G61 G62 L63 S67 L68 S69 H86	G61-G65 PolarHBondContact O-N 3.27Å; G62-G65 WeakPolarHBondContact O-CA 3.36Å; G62-G65 PolarHBondContact O-N 3.38Å; G62-G65 VanDerWaalsContact O-N 3.14Å; L63-G65 VanDerWaalsContact C-N 3.25Å; L63-G65 PolarHBondContact O-N 3.49Å; G65-S67 VanDerWaalsContact C-N 3.35Å; G65-S67 PolarHBondContact O-N 3.4Å; G65-L68 PolarHBondContact O-N 2.94Å; G65-S69 PolarHBondContact O-N 2.91Å; G65-H86 WeakPolarHBondContact CA-CE1 3.21Å; G65-H86 WeakPolarHBondContact CA-ND1 3.46Å; G65-H86 PolarHBondContact N-CE1 2.98Å; G65-H86 VanDerWaalsContact N-CE1 3.32Å; G65-H86 PolarHBondContact N-ND1 3.43Å; G65-H86 VanDerWaalsContact N-ND1 3.16Å
66	V	90	Very high	87	Confident	98 Å²	98	71.2 Å²	71.2	59%	0.594	42%	0.421	S	S	*	.	H	α-helix	trans	-63.5	-40.9	174.5	175.1	0	0	0	0	110.8	G62 L63 S69	G62-V66 WeakPolarHBondContact O-CG2 3.38Å; G62-V66 PolarHBondContact O-N 2.93Å; L63-V66 PolarHBondContact O-N 3.38Å; V66-S69 WeakPolarHBondContact O-CB 3.42Å; V66-S69 PolarHBondContact O-N 3.01Å; V66-S69 PolarHBondContact O-OG 2.92Å
67	S	87.1	Confident	87.3	Confident	31 Å²	31	69 Å²	69	22%	0.217	41%	0.407	C	S	.	.	H	α-helix	trans	-65.2	-37.4	173.7	34.9	0	0	0	0	113.2	L63 T64 G65 S69 N70 Y82	L63-S67 PolarHBondContact O-N 2.67Å; L63-S67 PolarHBondContact O-OG 3.39Å; T64-S67 WeakPolarHBondContact CA-OG 3.48Å; T64-S67 PolarHBondContact O-N 3.23Å; T64-S67 PolarHBondContact O-OG 3.18Å; G65-S67 VanDerWaalsContact C-N 3.35Å; G65-S67 PolarHBondContact O-N 3.4Å; S67-S69 PolarHBondContact O-N 3.38Å; S67-N70 WeakPolarHBondContact O-CB 3.41Å; S67-N70 PolarHBondContact O-N 3.01Å; S67-Y82 PolarHBondContact OG-OH 3.41Å
68	L	88.3	Confident	87.9	Confident	26 Å²	26	70.5 Å²	70.5	14%	0.136	41%	0.411	C	S	.	.	H	α-helix	trans	-67.5	-24.5	174.1	-81.8	151.3	0	0	0	112.8	T64 G65 N70 Y82 V83 H86	T64-L68 WeakPolarHBondContact O-CD1 3.09Å; T64-L68 PolarHBondContact O-N 3.33Å; T64-L68 VanDerWaalsContact O-N 3.14Å; G65-L68 PolarHBondContact O-N 2.94Å; L68-N70 PolarHBondContact O-N 3.47Å; L68-Y82 HydrophobicContact CD1-CD1 3.94Å; L68-Y82 HydrophobicContact CD1-CE1 3.76Å; L68-Y82 HydrophobicContact CD2-CD1 4.26Å; L68-Y82 HydrophobicContact CG-CD1 4.05Å; L68-Y82 HydrophobicContact CG-CE1 3.83Å; L68-V83 HydrophobicContact CD2-CB 4.49Å; L68-V83 HydrophobicContact CD2-CG2 3.61Å; L68-H86 HydrophobicContact CD1-CB 3.47Å; L68-H86 VanDerWaalsContact CD1-CB 3.47Å; L68-H86 VanDerWaalsContact CD1-CG 3.41Å
69	S	89.3	Confident	88.1	Confident	95 Å²	95	73 Å²	73	66%	0.664	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.2	174.2	79.1	0	0	0	0	113.5	G65 V66 S67 A71	G65-S69 PolarHBondContact O-N 2.91Å; V66-S69 WeakPolarHBondContact O-CB 3.42Å; V66-S69 PolarHBondContact O-N 3.01Å; V66-S69 PolarHBondContact O-OG 2.92Å; S67-S69 PolarHBondContact O-N 3.38Å; S69-A71 PolarHBondContact O-N 3.48Å
70	N	91.1	Very high	88.5	Confident	70 Å²	70	71.6 Å²	71.6	37%	0.374	42%	0.42	S	S	.	.			trans	-86.3	109.3	175.2	-176.1	-11.4	0	0	0	110.5	S67 L68 S72 L73 D74	S67-N70 WeakPolarHBondContact O-CB 3.41Å; S67-N70 PolarHBondContact O-N 3.01Å; L68-N70 PolarHBondContact O-N 3.47Å; N70-S72 VanDerWaalsContact CG-OG 3.28Å; N70-S72 PolarHBondContact ND2-OG 3.16Å; N70-S72 PolarHBondContact O-N 2.96Å; N70-S72 VanDerWaalsContact O-N 3.08Å; N70-S72 PolarHBondContact OD1-N 2.84Å; N70-S72 VanDerWaalsContact OD1-N 3.09Å; N70-S72 PolarHBondContact OD1-OG 2.81Å; N70-L73 HydrophobicContact CB-CB 4.26Å; N70-L73 HydrophobicContact CB-CD1 4.24Å; N70-L73 PolarHBondContact O-N 3.06Å; N70-D74 PolarHBondContact O-N 3.48Å
71	A	89.6	Confident	88.7	Confident	83 Å²	83	78 Å²	78	69%	0.686	44%	0.441	S	S	*	.	H	α-helix	trans	-54	-30.7	-179.1	0	0	0	0	0	114.4	S69 L75	S69-A71 PolarHBondContact O-N 3.48Å; A71-L75 PolarHBondContact O-N 2.77Å
72	S	92.6	Very high	88.8	Confident	77 Å²	77	81.9 Å²	81.9	54%	0.538	46%	0.456	S	S	.	.	H	α-helix	trans	-71.5	-35.9	177.1	62.1	0	0	0	0	113.1	N70	N70-S72 VanDerWaalsContact CG-OG 3.28Å; N70-S72 PolarHBondContact ND2-OG 3.16Å; N70-S72 PolarHBondContact O-N 2.96Å; N70-S72 VanDerWaalsContact O-N 3.08Å; N70-S72 PolarHBondContact OD1-N 2.84Å; N70-S72 VanDerWaalsContact OD1-N 3.09Å; N70-S72 PolarHBondContact OD1-OG 2.81Å
73	L	86.3	Confident	89	Confident	71 Å²	71	82.2 Å²	82.2	37%	0.372	45%	0.451	S	S	.	.	H	α-helix	trans	-79.3	-35.3	176.4	-99.5	128.2	0	0	0	111.3	N70 L75 I76 L77	N70-L73 HydrophobicContact CB-CB 4.26Å; N70-L73 HydrophobicContact CB-CD1 4.24Å; N70-L73 PolarHBondContact O-N 3.06Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 3.46Å; L73-I76 PolarHBondContact O-N 2.8Å; L73-I76 VanDerWaalsContact O-N 3.08Å; L73-L77 HydrophobicContact CB-CD1 4.37Å; L73-L77 HydrophobicContact CD2-CD1 3.76Å; L73-L77 WeakPolarHBondContact O-CG 3.47Å; L73-L77 PolarHBondContact O-N 3.14Å
74	D	89.4	Confident	88.9	Confident	57 Å²	57	79.4 Å²	79.4	31%	0.305	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-36.5	177.9	-168.8	43.6	0	0	0	111.6	N70 I76 L77 H78	N70-D74 PolarHBondContact O-N 3.48Å; D74-I76 PolarHBondContact O-N 3.45Å; D74-I76 VanDerWaalsContact O-N 3.09Å; D74-L77 PolarHBondContact O-N 3.01Å; D74-L77 VanDerWaalsContact O-N 3.14Å; D74-H78 WeakPolarHBondContact O-CA 3.37Å; D74-H78 VanDerWaalsContact O-CB 3.25Å; D74-H78 WeakPolarHBondContact O-CB 3.49Å; D74-H78 PolarHBondContact O-N 3.09Å
75	L	87.1	Confident	88.7	Confident	150 Å²	150	79.5 Å²	79.5	79%	0.785	45%	0.445	S	S	*	.	H	α-helix	trans	-54.8	-33	174.6	-176	63.9	0	0	0	113.6	A71 L73	A71-L75 PolarHBondContact O-N 2.77Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 3.46Å
76	I	90.6	Very high	88.7	Confident	131 Å²	131	80.5 Å²	80.5	67%	0.672	45%	0.445	S	S	*	.	H	α-helix	trans	-89.1	-35.7	-179.3	-56.6	169.1	0	0	0	110.9	L73 D74	L73-I76 PolarHBondContact O-N 2.8Å; L73-I76 VanDerWaalsContact O-N 3.08Å; D74-I76 PolarHBondContact O-N 3.45Å; D74-I76 VanDerWaalsContact O-N 3.09Å
77	L	87.9	Confident	88.3	Confident	32 Å²	32	79.8 Å²	79.8	17%	0.168	44%	0.438	C	S	.	.	H	α-helix	trans	-94	-8.5	-172.1	-63.4	172.4	0	0	0	113.2	L73 D74 D79 T80 Y82 V83	L73-L77 HydrophobicContact CB-CD1 4.37Å; L73-L77 HydrophobicContact CD2-CD1 3.76Å; L73-L77 WeakPolarHBondContact O-CG 3.47Å; L73-L77 PolarHBondContact O-N 3.14Å; D74-L77 PolarHBondContact O-N 3.01Å; D74-L77 VanDerWaalsContact O-N 3.14Å; L77-D79 PolarHBondContact O-N 3.08Å; L77-T80 WeakPolarHBondContact O-CB 3.47Å; L77-T80 WeakPolarHBondContact O-CG2 3.25Å; L77-T80 PolarHBondContact O-N 3.37Å; L77-T80 VanDerWaalsContact O-N 3.1Å; L77-T80 PolarHBondContact O-OG1 3.46Å; L77-Y82 HydrophobicContact CB-CD1 4.42Å; L77-Y82 HydrophobicContact CD1-CD1 3.81Å; L77-Y82 HydrophobicContact CD1-CE1 3.96Å; L77-Y82 HydrophobicContact CD1-CG 4.21Å; L77-Y82 HydrophobicContact CD2-CD1 4.39Å; L77-Y82 HydrophobicContact CD2-CD2 4.42Å; L77-Y82 HydrophobicContact CD2-CG 4.01Å; L77-Y82 HydrophobicContact CG-CD1 4.44Å; L77-V83 WeakPolarHBondContact O-CG2 3.48Å
78	H	88.9	Confident	88.1	Confident	114 Å²	114	84.7 Å²	84.7	53%	0.528	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	135.6	176.4	-163.6	70.6	0	0	0	110.9	D74 T80	D74-H78 WeakPolarHBondContact O-CA 3.37Å; D74-H78 VanDerWaalsContact O-CB 3.25Å; D74-H78 WeakPolarHBondContact O-CB 3.49Å; D74-H78 PolarHBondContact O-N 3.09Å; H78-T80 PolarHBondContact O-N 2.88Å
79	D	88	Confident	87.7	Confident	146 Å²	146	87.6 Å²	87.6	78%	0.781	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	16.1	-176.4	-62.1	-31.3	0	0	0	116.1	L77	L77-D79 PolarHBondContact O-N 3.08Å
80	T	90.1	Very high	87	Confident	49 Å²	49	85 Å²	85	30%	0.301	45%	0.448	S	S	.	.	S	Bend	trans	-91.8	161.6	174.4	72.3	0	0	0	0	112.2	L77 H78 Y82 V83	L77-T80 WeakPolarHBondContact O-CB 3.47Å; L77-T80 WeakPolarHBondContact O-CG2 3.25Å; L77-T80 PolarHBondContact O-N 3.37Å; L77-T80 VanDerWaalsContact O-N 3.1Å; L77-T80 PolarHBondContact O-OG1 3.46Å; H78-T80 PolarHBondContact O-N 2.88Å; T80-Y82 PolarHBondContact O-N 3.31Å; T80-Y82 VanDerWaalsContact OG1-CB 3.27Å; T80-Y82 WeakPolarHBondContact OG1-CB 3.4Å; T80-Y82 PolarHBondContact OG1-N 3.49Å; T80-V83 PolarHBondContact O-N 3.32Å; T80-V83 VanDerWaalsContact O-N 3.1Å
81	Y	90.6	Very high	86	Confident	208 Å²	208	85.8 Å²	85.8	82%	0.816	45%	0.452	S	S	*	.	H	α-helix	trans	-58.5	-14.2	170.7	-77.2	-77.2	0	0	0	113.7	V84 G85	Y81-V84 PolarHBondContact O-N 2.95Å; Y81-G85 PolarHBondContact O-N 3.38Å
82	Y	88.8	Confident	84.7	Confident	83 Å²	83	85.2 Å²	85.2	33%	0.325	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-46.9	172.9	-171.2	-88.1	0	0	0	111.5	S67 L68 L77 T80 V84 G85 H86	S67-Y82 PolarHBondContact OG-OH 3.41Å; L68-Y82 HydrophobicContact CD1-CD1 3.94Å; L68-Y82 HydrophobicContact CD1-CE1 3.76Å; L68-Y82 HydrophobicContact CD2-CD1 4.26Å; L68-Y82 HydrophobicContact CG-CD1 4.05Å; L68-Y82 HydrophobicContact CG-CE1 3.83Å; L77-Y82 HydrophobicContact CB-CD1 4.42Å; L77-Y82 HydrophobicContact CD1-CD1 3.81Å; L77-Y82 HydrophobicContact CD1-CE1 3.96Å; L77-Y82 HydrophobicContact CD1-CG 4.21Å; L77-Y82 HydrophobicContact CD2-CD1 4.39Å; L77-Y82 HydrophobicContact CD2-CD2 4.42Å; L77-Y82 HydrophobicContact CD2-CG 4.01Å; L77-Y82 HydrophobicContact CG-CD1 4.44Å; T80-Y82 PolarHBondContact O-N 3.31Å; T80-Y82 VanDerWaalsContact OG1-CB 3.27Å; T80-Y82 WeakPolarHBondContact OG1-CB 3.4Å; T80-Y82 PolarHBondContact OG1-N 3.49Å; Y82-V84 VanDerWaalsContact C-N 3.33Å; Y82-V84 PolarHBondContact O-N 2.96Å; Y82-G85 PolarHBondContact O-N 3.5Å; Y82-H86 WeakPolarHBondContact O-CB 3.48Å; Y82-H86 PolarHBondContact O-N 3.5Å
83	V	87.9	Confident	82.7	Confident	39 Å²	39	86.9 Å²	86.9	24%	0.236	44%	0.444	C	S	.	.	H	α-helix	trans	-62.8	-43.5	177.1	-179.9	0	0	0	0	110	L68 L77 T80 H86 L87	L68-V83 HydrophobicContact CD2-CB 4.49Å; L68-V83 HydrophobicContact CD2-CG2 3.61Å; L77-V83 WeakPolarHBondContact O-CG2 3.48Å; T80-V83 PolarHBondContact O-N 3.32Å; T80-V83 VanDerWaalsContact O-N 3.1Å; V83-H86 WeakPolarHBondContact O-CB 3.39Å; V83-H86 PolarHBondContact O-N 3.08Å; V83-L87 HydrophobicContact CG1-CD1 4.33Å; V83-L87 PolarHBondContact O-N 3.49Å
84	V	86.1	Confident	81.6	Confident	66 Å²	66	85.3 Å²	85.3	40%	0.4	44%	0.444	S	S	.	.	H	α-helix	trans	-62	-46.2	177.6	-179.6	0	0	0	0	110.7	Y81 Y82 L87 H88	Y81-V84 PolarHBondContact O-N 2.95Å; Y82-V84 VanDerWaalsContact C-N 3.33Å; Y82-V84 PolarHBondContact O-N 2.96Å; V84-L87 PolarHBondContact O-N 3.32Å; V84-H88 WeakPolarHBondContact CG1-CE1 3.25Å; V84-H88 WeakPolarHBondContact CG1-ND1 3.49Å; V84-H88 PolarHBondContact O-N 2.95Å; V84-H88 PolarHBondContact O-ND1 2.85Å
85	G	86.2	Confident	80.4	Confident	26 Å²	26	84.8 Å²	84.8	27%	0.268	44%	0.443	S	S	.	.	H	α-helix	trans	-60.9	-45.4	176.9	0	0	0	0	0	112.3	Y81 Y82 L87 H88 F89	Y81-G85 PolarHBondContact O-N 3.38Å; Y82-G85 PolarHBondContact O-N 3.5Å; G85-L87 PolarHBondContact O-N 2.92Å; G85-H88 PolarHBondContact O-N 3.34Å; G85-F89 WeakPolarHBondContact O-CD2 3.38Å; G85-F89 WeakPolarHBondContact O-CG 3.42Å; G85-F89 PolarHBondContact O-N 2.94Å
86	H	86.4	Confident	79.6	Confident	38 Å²	38	79.4 Å²	79.4	18%	0.176	42%	0.415	C	S	.	.	H	α-helix	trans	-54.8	-50.6	172.5	169.3	64.2	0	0	0	111.5	G61 T64 G65 L68 Y82 V83 H88 F89 V90	G61-H86 PolarHBondContact O-CE1 3.19Å; G61-H86 PolarHBondContact O-ND1 2.97Å; T64-H86 PolarHBondContact OG1-ND1 3.3Å; G65-H86 WeakPolarHBondContact CA-CE1 3.21Å; G65-H86 WeakPolarHBondContact CA-ND1 3.46Å; G65-H86 PolarHBondContact N-CE1 2.98Å; G65-H86 VanDerWaalsContact N-CE1 3.32Å; G65-H86 PolarHBondContact N-ND1 3.43Å; G65-H86 VanDerWaalsContact N-ND1 3.16Å; L68-H86 HydrophobicContact CD1-CB 3.47Å; L68-H86 VanDerWaalsContact CD1-CB 3.47Å; L68-H86 VanDerWaalsContact CD1-CG 3.41Å; Y82-H86 WeakPolarHBondContact O-CB 3.48Å; Y82-H86 PolarHBondContact O-N 3.5Å; V83-H86 WeakPolarHBondContact O-CB 3.39Å; V83-H86 PolarHBondContact O-N 3.08Å; H86-H88 VanDerWaalsContact C-N 3.34Å; H86-H88 PolarHBondContact O-N 2.88Å; H86-F89 PolarHBondContact O-N 3.49Å; H86-V90 WeakPolarHBondContact O-CG2 3.42Å; H86-V90 PolarHBondContact O-N 3.36Å
87	L	82.5	Confident	78.7	Confident	84 Å²	84	77.8 Å²	77.8	44%	0.44	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-42.5	177.2	-111	91.5	0	0	0	112	V83 V84 G85 F89 V90 L91	V83-L87 HydrophobicContact CG1-CD1 4.33Å; V83-L87 PolarHBondContact O-N 3.49Å; V84-L87 PolarHBondContact O-N 3.32Å; G85-L87 PolarHBondContact O-N 2.92Å; L87-F89 PolarHBondContact O-N 2.64Å; L87-V90 PolarHBondContact O-N 3.1Å; L87-L91 HydrophobicContact CB-CD1 4.37Å; L87-L91 HydrophobicContact CD2-CD1 3.57Å; L87-L91 HydrophobicContact CG-CD1 3.74Å; L87-L91 WeakPolarHBondContact O-CA 3.45Å; L87-L91 WeakPolarHBondContact O-CB 3.49Å; L87-L91 PolarHBondContact O-N 3.33Å
88	H	82.2	Confident	78	Confident	134 Å²	134	78.7 Å²	78.7	62%	0.62	42%	0.415	S	S	*	.	H	α-helix	trans	-66.9	-37	-179	-79.1	72.9	0	0	0	112.7	V84 G85 H86 V90	V84-H88 WeakPolarHBondContact CG1-CE1 3.25Å; V84-H88 WeakPolarHBondContact CG1-ND1 3.49Å; V84-H88 PolarHBondContact O-N 2.95Å; V84-H88 PolarHBondContact O-ND1 2.85Å; G85-H88 PolarHBondContact O-N 3.34Å; H86-H88 VanDerWaalsContact C-N 3.34Å; H86-H88 PolarHBondContact O-N 2.88Å; H88-V90 VanDerWaalsContact C-N 3.27Å; H88-V90 PolarHBondContact O-N 3.29Å
89	F	80.2	Confident	77.2	Confident	87 Å²	87	74 Å²	74	38%	0.382	39%	0.394	S	S	.	.	H	α-helix	trans	-64.4	-33.7	173.6	-72	-53	0	0	0	112.3	L57 I60 G85 H86 L87	L57-F89 HydrophobicContact CD2-CD1 3.6Å; L57-F89 HydrophobicContact CD2-CE1 3.83Å; I60-F89 HydrophobicContact CG2-CD2 4.47Å; I60-F89 HydrophobicContact CG2-CE2 4.43Å; G85-F89 WeakPolarHBondContact O-CD2 3.38Å; G85-F89 WeakPolarHBondContact O-CG 3.42Å; G85-F89 PolarHBondContact O-N 2.94Å; H86-F89 PolarHBondContact O-N 3.49Å; L87-F89 PolarHBondContact O-N 2.64Å
90	V	75.7	Confident	76.9	Confident	40 Å²	40	70.7 Å²	70.7	24%	0.242	37%	0.374	C	S	.	.	H	α-helix	trans	-87.7	-32.9	-178	178.1	0	0	0	0	113	F58 H86 L87 H88 I96	F58-V90 HydrophobicContact CE2-CG1 4.41Å; H86-V90 WeakPolarHBondContact O-CG2 3.42Å; H86-V90 PolarHBondContact O-N 3.36Å; L87-V90 PolarHBondContact O-N 3.1Å; H88-V90 VanDerWaalsContact C-N 3.27Å; H88-V90 PolarHBondContact O-N 3.29Å; V90-I96 VanDerWaalsContact O-CD1 3.22Å; V90-I96 WeakPolarHBondContact O-CD1 3.45Å
91	L	69.5	Low	76.6	Confident	87 Å²	87	68.6 Å²	68.6	46%	0.455	36%	0.362	S	S	.	.			trans	-116.5	28.9	-165.2	-64.4	172.6	0	0	0	115.2	L87 M93	L87-L91 HydrophobicContact CB-CD1 4.37Å; L87-L91 HydrophobicContact CD2-CD1 3.57Å; L87-L91 HydrophobicContact CG-CD1 3.74Å; L87-L91 WeakPolarHBondContact O-CA 3.45Å; L87-L91 WeakPolarHBondContact O-CB 3.49Å; L87-L91 PolarHBondContact O-N 3.33Å; L91-M93 WeakPolarHBondContact O-CA 3.45Å; L91-M93 PolarHBondContact O-N 2.99Å
92	S	61	Low	76.2	Confident	70 Å²	70	60.4 Å²	60.4	49%	0.49	33%	0.33	S	S	.	.			trans	-62.9	85.8	171.7	-170.5	0	0	0	0	111.5	G94 V95 I96	S92-G94 PolarHBondContact O-N 3.44Å; S92-V95 PolarHBondContact O-N 3.43Å; S92-V95 VanDerWaalsContact O-N 3.14Å; S92-I96 WeakPolarHBondContact O-CG1 3.29Å; S92-I96 PolarHBondContact O-N 3.36Å
93	M	51.6	Low	75.9	Confident	113 Å²	113	58.9 Å²	58.9	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-67.6	-32.9	-148.1	-158.3	60.1	166.9	0	0	114.4	L91 F97	L91-M93 WeakPolarHBondContact O-CA 3.45Å; L91-M93 PolarHBondContact O-N 2.99Å; M93-F97 HydrophobicContact CE-CE2 4Å; M93-F97 HydrophobicContact CE-CZ 4.21Å; M93-F97 HydrophobicContact CG-CE2 4.16Å; M93-F97 WeakPolarHBondContact O-CD2 3.5Å; M93-F97 HydrophobicContact SD-CE2 4.27Å
94	G	62.8	Low	75.8	Confident	37 Å²	37	59.4 Å²	59.4	38%	0.381	33%	0.329	S	S	.	.	H	α-helix	trans	-75.8	-34.4	178.4	0	0	0	0	0	113.2	S92	S92-G94 PolarHBondContact O-N 3.44Å
95	V	64.8	Low	75.9	Confident	47 Å²	47	59.1 Å²	59.1	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-71.3	-39.4	179.7	179.6	0	0	0	0	109.4	W50 S92 F97 A98 M99	W50-V95 HydrophobicContact CE3-CG1 4.12Å; W50-V95 HydrophobicContact CZ3-CG1 3.94Å; W50-V95 HydrophobicContact CZ3-CG2 4.13Å; S92-V95 PolarHBondContact O-N 3.43Å; S92-V95 VanDerWaalsContact O-N 3.14Å; V95-F97 PolarHBondContact O-N 2.97Å; V95-A98 PolarHBondContact O-N 2.89Å; V95-M99 HydrophobicContact CG1-CG 3.96Å; V95-M99 HydrophobicContact CG1-SD 3.5Å; V95-M99 WeakPolarHBondContact CG1-SD 3.17Å; V95-M99 VanDerWaalsContact O-CB 3.29Å; V95-M99 WeakPolarHBondContact O-CB 3.42Å; V95-M99 WeakPolarHBondContact O-CG 3.3Å; V95-M99 PolarHBondContact O-N 3.01Å
96	I	69.5	Low	75.8	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.185	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-48.6	-178.3	-64.6	163	0	0	0	112.3	V90 S92 A98 M99 M100	V90-I96 VanDerWaalsContact O-CD1 3.22Å; V90-I96 WeakPolarHBondContact O-CD1 3.45Å; S92-I96 WeakPolarHBondContact O-CG1 3.29Å; S92-I96 PolarHBondContact O-N 3.36Å; I96-A98 PolarHBondContact O-N 3.03Å; I96-M99 CarbonylContact O-C 3.55Å; I96-M99 PolarHBondContact O-N 3.2Å; I96-M100 HydrophobicContact CG2-CG 4.26Å; I96-M100 WeakPolarHBondContact O-CB 3.17Å; I96-M100 VanDerWaalsContact O-CG 3.31Å; I96-M100 WeakPolarHBondContact O-CG 3.49Å; I96-M100 PolarHBondContact O-N 3.45Å
97	F	71.2	Confident	75.7	Confident	98 Å²	98	65.1 Å²	65.1	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-65.5	-42	-178.8	-72.1	-72.9	0	0	0	112.7	M93 V95 M99 M100 A101 L159	M93-F97 HydrophobicContact CE-CE2 4Å; M93-F97 HydrophobicContact CE-CZ 4.21Å; M93-F97 HydrophobicContact CG-CE2 4.16Å; M93-F97 WeakPolarHBondContact O-CD2 3.5Å; M93-F97 HydrophobicContact SD-CE2 4.27Å; V95-F97 PolarHBondContact O-N 2.97Å; F97-M99 VanDerWaalsContact C-N 3.27Å; F97-M99 PolarHBondContact O-N 3.44Å; F97-M100 PolarHBondContact O-N 3.39Å; F97-A101 PolarHBondContact O-N 3.03Å; F97-L159 HydrophobicContact CB-CD1 4.21Å; F97-L159 HydrophobicContact CB-CD2 3.75Å
98	A	74.3	Confident	76	Confident	51 Å²	51	61.1 Å²	61.1	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-37.9	175.8	0	0	0	0	0	111.4	V95 I96 A101 F102 L159	V95-A98 PolarHBondContact O-N 2.89Å; I96-A98 PolarHBondContact O-N 3.03Å; A98-A101 PolarHBondContact O-N 2.81Å; A98-F102 PolarHBondContact O-N 3.44Å; A98-L159 HydrophobicContact CB-CD1 4.19Å
99	M	72.6	Confident	76.1	Confident	16 Å²	16	56.2 Å²	56.2	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-71	-37.9	176	-71.9	-172.3	74	0	0	113.2	F54 V95 I96 F97 A101 F102 L103	F54-M99 HydrophobicContact CB-CE 3.1Å; F54-M99 HydrophobicContact CB-SD 3.63Å; F54-M99 HydrophobicContact CD1-CE 3.65Å; F54-M99 HydrophobicContact CD2-CE 3.9Å; F54-M99 HydrophobicContact CD2-SD 3.7Å; F54-M99 HydrophobicContact CG-CE 3.26Å; F54-M99 HydrophobicContact CG-SD 3.7Å; V95-M99 HydrophobicContact CG1-CG 3.96Å; V95-M99 HydrophobicContact CG1-SD 3.5Å; V95-M99 WeakPolarHBondContact CG1-SD 3.17Å; V95-M99 VanDerWaalsContact O-CB 3.29Å; V95-M99 WeakPolarHBondContact O-CB 3.42Å; V95-M99 WeakPolarHBondContact O-CG 3.3Å; V95-M99 PolarHBondContact O-N 3.01Å; I96-M99 CarbonylContact O-C 3.55Å; I96-M99 PolarHBondContact O-N 3.2Å; F97-M99 VanDerWaalsContact C-N 3.27Å; F97-M99 PolarHBondContact O-N 3.44Å; M99-A101 VanDerWaalsContact C-N 3.34Å; M99-F102 WeakPolarHBondContact O-CB 3.49Å; M99-F102 PolarHBondContact O-N 3.26Å; M99-L103 WeakPolarHBondContact O-CG 3.42Å; M99-L103 PolarHBondContact O-N 2.98Å
100	M	80.7	Confident	76.2	Confident	76 Å²	76	55.1 Å²	55.1	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-44	172.9	-74.7	-60	106	0	0	110.8	I96 F97 F102 L103 L104	I96-M100 HydrophobicContact CG2-CG 4.26Å; I96-M100 WeakPolarHBondContact O-CB 3.17Å; I96-M100 VanDerWaalsContact O-CG 3.31Å; I96-M100 WeakPolarHBondContact O-CG 3.49Å; I96-M100 PolarHBondContact O-N 3.45Å; F97-M100 PolarHBondContact O-N 3.39Å; M100-F102 VanDerWaalsContact C-N 3.32Å; M100-F102 PolarHBondContact O-N 3.38Å; M100-L103 HydrophobicContact CE-CD1 3.72Å; M100-L103 PolarHBondContact O-N 2.94Å; M100-L104 WeakPolarHBondContact O-CB 3.22Å; M100-L104 VanDerWaalsContact O-CG 3.26Å; M100-L104 WeakPolarHBondContact O-CG 3.31Å; M100-L104 PolarHBondContact O-N 3.48Å
101	A	84.3	Confident	76.8	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-57.3	-48.2	172.4	0	0	0	0	0	110.4	F97 A98 M99 L103 L104 I105 S152 L155 L159	F97-A101 PolarHBondContact O-N 3.03Å; A98-A101 PolarHBondContact O-N 2.81Å; M99-A101 VanDerWaalsContact C-N 3.34Å; A101-L103 PolarHBondContact O-N 3.25Å; A101-L104 PolarHBondContact O-N 2.78Å; A101-I105 PolarHBondContact O-N 3.17Å; A101-S152 WeakPolarHBondContact O-CB 3.45Å; A101-S152 PolarHBondContact O-OG 2.92Å; A101-L155 HydrophobicContact CB-CB 4.09Å; A101-L159 HydrophobicContact CB-CD1 4.39Å
102	F	81.4	Confident	77.9	Confident	36 Å²	36	52.6 Å²	52.6	16%	0.158	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-47.2	177.3	175.2	-104.4	0	0	0	113.7	L47 M48 V51 A98 M99 M100 L104 I105 F106	L47-F102 HydrophobicContact CD1-CD1 4.46Å; L47-F102 HydrophobicContact CD1-CD2 3.7Å; L47-F102 HydrophobicContact CD1-CE2 3.94Å; L47-F102 HydrophobicContact CD1-CG 3.99Å; L47-F102 HydrophobicContact CD1-CZ 4.39Å; L47-F102 HydrophobicContact CD2-CD2 3.64Å; L47-F102 HydrophobicContact CD2-CE2 3.11Å; L47-F102 HydrophobicContact CD2-CZ 3.72Å; L47-F102 HydrophobicContact CG-CD2 3.87Å; L47-F102 HydrophobicContact CG-CE1 4.33Å; L47-F102 HydrophobicContact CG-CE2 3.54Å; L47-F102 HydrophobicContact CG-CG 4.4Å; L47-F102 HydrophobicContact CG-CZ 3.77Å; M48-F102 HydrophobicContact CE-CZ 3.9Å; V51-F102 HydrophobicContact CG2-CD1 3.85Å; V51-F102 HydrophobicContact CG2-CE1 3.51Å; A98-F102 PolarHBondContact O-N 3.44Å; M99-F102 WeakPolarHBondContact O-CB 3.49Å; M99-F102 PolarHBondContact O-N 3.26Å; M100-F102 VanDerWaalsContact C-N 3.32Å; M100-F102 PolarHBondContact O-N 3.38Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 3.08Å; F102-I105 HydrophobicContact CD2-CG2 4.32Å; F102-I105 WeakPolarHBondContact O-CG2 3.45Å; F102-I105 PolarHBondContact O-N 2.94Å; F102-F106 HydrophobicContact CE1-CB 4.45Å; F102-F106 HydrophobicContact CZ-CB 4.24Å; F102-F106 HydrophobicContact CZ-CD2 4.32Å; F102-F106 HydrophobicContact CZ-CG 4.48Å; F102-F106 WeakPolarHBondContact O-CB 3.26Å; F102-F106 PolarHBondContact O-N 2.96Å
103	L	82.5	Confident	79.2	Confident	51 Å²	51	54.7 Å²	54.7	27%	0.267	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-39.6	-179.9	-73.3	172.5	0	0	0	111.7	M99 M100 A101 F106 I107	M99-L103 WeakPolarHBondContact O-CG 3.42Å; M99-L103 PolarHBondContact O-N 2.98Å; M100-L103 HydrophobicContact CE-CD1 3.72Å; M100-L103 PolarHBondContact O-N 2.94Å; A101-L103 PolarHBondContact O-N 3.25Å; L103-F106 PolarHBondContact O-N 3.34Å; L103-I107 WeakPolarHBondContact O-CB 3.3Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.41Å; L103-I107 PolarHBondContact O-N 3.46Å
104	L	87.2	Confident	80.9	Confident	50 Å²	50	53.4 Å²	53.4	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-42.2	176.3	-75	168.9	0	0	0	112	M100 A101 F102 G108 L148 L155	M100-L104 WeakPolarHBondContact O-CB 3.22Å; M100-L104 VanDerWaalsContact O-CG 3.26Å; M100-L104 WeakPolarHBondContact O-CG 3.31Å; M100-L104 PolarHBondContact O-N 3.48Å; A101-L104 PolarHBondContact O-N 2.78Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 3.08Å; L104-G108 WeakPolarHBondContact O-CA 3.25Å; L104-G108 PolarHBondContact O-N 3.44Å; L104-L148 HydrophobicContact CD2-CD2 4.1Å; L104-L155 HydrophobicContact CD1-CD1 3.55Å
105	I	86.7	Confident	82.3	Confident	60 Å²	60	51.9 Å²	51.9	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-39.1	175.7	-170.1	63.2	0	0	0	111.2	A101 F102 A109 S149 S152	A101-I105 PolarHBondContact O-N 3.17Å; F102-I105 HydrophobicContact CD2-CG2 4.32Å; F102-I105 WeakPolarHBondContact O-CG2 3.45Å; F102-I105 PolarHBondContact O-N 2.94Å; I105-A109 WeakPolarHBondContact O-CB 3.32Å; I105-A109 PolarHBondContact O-N 3.44Å; I105-S149 VanDerWaalsContact CD1-CB 3.48Å; I105-S152 WeakPolarHBondContact CB-OG 3.46Å; I105-S152 PolarHBondContact N-OG 3.49Å
106	F	84.1	Confident	83.4	Confident	97 Å²	97	54 Å²	54	43%	0.425	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-52.4	179.2	-179.9	-99.3	0	0	0	111.4	F102 L103 N110	F102-F106 HydrophobicContact CE1-CB 4.45Å; F102-F106 HydrophobicContact CZ-CB 4.24Å; F102-F106 HydrophobicContact CZ-CD2 4.32Å; F102-F106 HydrophobicContact CZ-CG 4.48Å; F102-F106 WeakPolarHBondContact O-CB 3.26Å; F102-F106 PolarHBondContact O-N 2.96Å; L103-F106 PolarHBondContact O-N 3.34Å; F106-N110 PolarHBondContact O-N 2.94Å; F106-N110 VanDerWaalsContact O-N 3.13Å; F106-N110 PolarHBondContact O-ND2 2.96Å
107	I	85	Confident	84.2	Confident	94 Å²	94	58.4 Å²	58.4	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-64.5	-45.2	177.5	-65.2	168.2	0	0	0	110	L103 A109 N110 L111 L148	L103-I107 WeakPolarHBondContact O-CB 3.3Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.41Å; L103-I107 PolarHBondContact O-N 3.46Å; I107-A109 PolarHBondContact O-N 3.41Å; I107-N110 PolarHBondContact O-N 2.87Å; I107-L111 VanDerWaalsContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CB 3.11Å; I107-L111 PolarHBondContact O-N 2.99Å; I107-L148 HydrophobicContact CG2-CD1 4.4Å
108	G	88.9	Confident	85	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-47.7	179.7	0	0	0	0	0	112.9	L104 L111 T112 G145	L104-G108 WeakPolarHBondContact O-CA 3.25Å; L104-G108 PolarHBondContact O-N 3.44Å; G108-L111 PolarHBondContact O-N 3.14Å; G108-T112 PolarHBondContact O-N 3.32Å; G108-T112 PolarHBondContact O-OG1 3.01Å; G108-T112 VanDerWaalsContact O-OG1 3.14Å; G108-G145 CarbonylContact C-O 3.25Å; G108-G145 WeakPolarHBondContact CA-O 3.48Å; G108-G145 CarbonylContact O-C 3.48Å; G108-G145 VanDerWaalsContact O-CA 3.31Å; G108-G145 WeakPolarHBondContact O-CA 3.47Å
109	A	83.1	Confident	85.7	Confident	30 Å²	30	56.6 Å²	56.6	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-46	178.2	0	0	0	0	0	111.9	I105 I107 L111 T112 F113	I105-A109 WeakPolarHBondContact O-CB 3.32Å; I105-A109 PolarHBondContact O-N 3.44Å; I107-A109 PolarHBondContact O-N 3.41Å; A109-L111 VanDerWaalsContact C-N 3.35Å; A109-L111 PolarHBondContact O-N 3.33Å; A109-T112 PolarHBondContact O-N 2.92Å; A109-F113 HydrophobicContact CB-CD2 4.24Å; A109-F113 HydrophobicContact CB-CE2 4.17Å; A109-F113 WeakPolarHBondContact O-CD2 3.45Å; A109-F113 PolarHBondContact O-N 3.04Å
110	N	83.6	Confident	86.5	Confident	65 Å²	65	58.1 Å²	58.1	35%	0.348	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-44.1	176.8	-79.8	-72.7	0	0	0	111.6	F106 I107 T112 F113 I114	F106-N110 PolarHBondContact O-N 2.94Å; F106-N110 VanDerWaalsContact O-N 3.13Å; F106-N110 PolarHBondContact O-ND2 2.96Å; I107-N110 PolarHBondContact O-N 2.87Å; N110-T112 VanDerWaalsContact C-N 3.26Å; N110-T112 PolarHBondContact O-N 2.72Å; N110-F113 PolarHBondContact O-N 3.32Å; N110-I114 HydrophobicContact CB-CD1 3.98Å; N110-I114 VanDerWaalsContact O-CB 3.24Å; N110-I114 WeakPolarHBondContact O-CB 3.47Å; N110-I114 WeakPolarHBondContact O-CG1 3.25Å; N110-I114 PolarHBondContact O-N 3.21Å
111	L	89	Confident	86.9	Confident	55 Å²	55	61 Å²	61	29%	0.288	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-27.8	177.9	-170.5	62.6	0	0	0	112.7	I107 G108 A109 P115 L141 L144 L148	I107-L111 VanDerWaalsContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CB 3.11Å; I107-L111 PolarHBondContact O-N 2.99Å; G108-L111 PolarHBondContact O-N 3.14Å; A109-L111 VanDerWaalsContact C-N 3.35Å; A109-L111 PolarHBondContact O-N 3.33Å; L111-P115 WeakPolarHBondContact O-CD 3.37Å; L111-P115 WeakPolarHBondContact O-CG 3.42Å; L111-L141 HydrophobicContact CD1-CD2 4.34Å; L111-L144 HydrophobicContact CD2-CB 4.11Å; L111-L148 HydrophobicContact CD2-CD1 4.11Å
112	T	91.1	Very high	87.2	Confident	18 Å²	18	65.2 Å²	65.2	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-75.3	-49.1	172.8	-66.2	0	0	0	0	112.5	G108 A109 N110 Q116 S142 G145 R146	G108-T112 PolarHBondContact O-N 3.32Å; G108-T112 PolarHBondContact O-OG1 3.01Å; G108-T112 VanDerWaalsContact O-OG1 3.14Å; A109-T112 PolarHBondContact O-N 2.92Å; N110-T112 VanDerWaalsContact C-N 3.26Å; N110-T112 PolarHBondContact O-N 2.72Å; T112-Q116 WeakPolarHBondContact O-CG 3.5Å; T112-S142 PolarHBondContact O-OG 2.94Å; T112-S142 PolarHBondContact OG1-O 2.86Å; T112-G145 WeakPolarHBondContact OG1-CA 3.13Å; T112-R146 PolarHBondContact OG1-N 2.97Å
113	F	87.9	Confident	87.5	Confident	114 Å²	114	66.3 Å²	66.3	50%	0.5	36%	0.359	S	S	.	.	H	α-helix	trans	-87.1	-29.8	-169.1	-63.1	-60.5	0	0	0	113.7	A109 N110 Q116 H117	A109-F113 HydrophobicContact CB-CD2 4.24Å; A109-F113 HydrophobicContact CB-CE2 4.17Å; A109-F113 WeakPolarHBondContact O-CD2 3.45Å; A109-F113 PolarHBondContact O-N 3.04Å; N110-F113 PolarHBondContact O-N 3.32Å; F113-Q116 WeakPolarHBondContact O-CB 3.46Å; F113-Q116 PolarHBondContact O-N 2.93Å; F113-H117 PolarHBondContact O-CE1 3.14Å; F113-H117 PolarHBondContact O-ND1 2.71Å
114	I	87.7	Confident	87.8	Confident	86 Å²	86	65.5 Å²	65.5	44%	0.441	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-49.3	-179.9	-69.1	169.7	0	0	0	111.8	N110 Q116 H117 F118	N110-I114 HydrophobicContact CB-CD1 3.98Å; N110-I114 VanDerWaalsContact O-CB 3.24Å; N110-I114 WeakPolarHBondContact O-CB 3.47Å; N110-I114 WeakPolarHBondContact O-CG1 3.25Å; N110-I114 PolarHBondContact O-N 3.21Å; I114-Q116 PolarHBondContact O-N 3.24Å; I114-Q116 VanDerWaalsContact O-N 3.13Å; I114-H117 WeakPolarHBondContact O-CB 3.07Å; I114-H117 PolarHBondContact O-N 3.4Å; I114-F118 HydrophobicContact CG2-CD2 4.47Å; I114-F118 HydrophobicContact CG2-CE2 3.89Å; I114-F118 WeakPolarHBondContact O-CD2 3.43Å
115	P	91.7	Very high	87.9	Confident	6 Å²	6	67.4 Å²	67.4	4%	0.039	37%	0.37	C	S	.	.	H	α-helix	trans	-54.5	-31.9	174.5	-30.5	39.2	0	0	0	114.2	L111 H117 F118 L119 F138 L141	L111-P115 WeakPolarHBondContact O-CD 3.37Å; L111-P115 WeakPolarHBondContact O-CG 3.42Å; P115-H117 VanDerWaalsContact C-N 3.29Å; P115-H117 PolarHBondContact O-N 3.42Å; P115-F118 PolarHBondContact O-N 3.5Å; P115-L119 WeakPolarHBondContact O-CG 3.35Å; P115-L119 PolarHBondContact O-N 2.6Å; P115-F138 HydrophobicContact CB-CB 4.15Å; P115-F138 HydrophobicContact CB-CD1 4Å; P115-F138 WeakPolarHBondContact CB-O 3.31Å; P115-L141 HydrophobicContact CG-CB 3.95Å
116	Q	88.5	Confident	88.1	Confident	90 Å²	90	74 Å²	74	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-67.5	-28	-179.9	-64.2	177	2.5	0	0	113	T112 F113 I114 L119 G120	T112-Q116 WeakPolarHBondContact O-CG 3.5Å; F113-Q116 WeakPolarHBondContact O-CB 3.46Å; F113-Q116 PolarHBondContact O-N 2.93Å; I114-Q116 PolarHBondContact O-N 3.24Å; I114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-L119 PolarHBondContact O-N 3.21Å; Q116-G120 PolarHBondContact O-N 3.37Å
117	H	86.1	Confident	88.4	Confident	129 Å²	129	79 Å²	79	60%	0.597	41%	0.407	S	S	*	.	H	α-helix	trans	-65.3	-45.2	173.6	-65.8	75.1	0	0	0	110.6	F113 I114 P115 G120 I121	F113-H117 PolarHBondContact O-CE1 3.14Å; F113-H117 PolarHBondContact O-ND1 2.71Å; I114-H117 WeakPolarHBondContact O-CB 3.07Å; I114-H117 PolarHBondContact O-N 3.4Å; P115-H117 VanDerWaalsContact C-N 3.29Å; P115-H117 PolarHBondContact O-N 3.42Å; H117-G120 PolarHBondContact O-N 2.92Å; H117-I121 WeakPolarHBondContact O-CG1 3.44Å; H117-I121 PolarHBondContact O-N 2.66Å
118	F	88.6	Confident	88.6	Confident	102 Å²	102	78.2 Å²	78.2	45%	0.447	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-40.6	176.5	-63.5	-72.1	0	0	0	111.9	I114 P115 G120 I121 N122 F138	I114-F118 HydrophobicContact CG2-CD2 4.47Å; I114-F118 HydrophobicContact CG2-CE2 3.89Å; I114-F118 WeakPolarHBondContact O-CD2 3.43Å; P115-F118 PolarHBondContact O-N 3.5Å; F118-G120 VanDerWaalsContact C-N 3.3Å; F118-G120 PolarHBondContact O-N 2.96Å; F118-I121 PolarHBondContact O-N 3.09Å; F118-N122 PolarHBondContact O-N 3.28Å; F118-N122 VanDerWaalsContact O-N 3.12Å; F118-N122 PolarHBondContact O-ND2 3.31Å; F118-F138 HydrophobicContact CB-CD1 4.24Å; F118-F138 HydrophobicContact CB-CE1 3.8Å; F118-F138 HydrophobicContact CB-CZ 4Å; F118-F138 AromaticContact CD2-CE1 3.98Å; F118-F138 HydrophobicContact CD2-CE1 3.98Å; F118-F138 HydrophobicContact CG-CE1 4.02Å; F118-F138 HydrophobicContact CG-CZ 4.37Å
119	L	89.7	Confident	88.5	Confident	9 Å²	9	85.7 Å²	85.7	5%	0.047	44%	0.438	C	S	.	.	H	α-helix	trans	-60	-41.1	174	-71.1	164	0	0	0	111.6	P115 Q116 N122 I124 F135 F138	P115-L119 WeakPolarHBondContact O-CG 3.35Å; P115-L119 PolarHBondContact O-N 2.6Å; Q116-L119 PolarHBondContact O-N 3.21Å; L119-N122 PolarHBondContact O-N 3.19Å; L119-I124 HydrophobicContact CB-CD1 4.04Å; L119-I124 HydrophobicContact CD2-CD1 3.31Å; L119-I124 HydrophobicContact CG-CD1 4.28Å; L119-I124 PolarHBondContact O-N 3.42Å; L119-F135 HydrophobicContact CD2-CB 3.83Å; L119-F135 HydrophobicContact CD2-CD1 4.13Å; L119-F135 HydrophobicContact CD2-CG 4.2Å; L119-F138 HydrophobicContact CD1-CB 3.93Å; L119-F138 HydrophobicContact CD2-CB 3.78Å; L119-F138 HydrophobicContact CD2-CG 4.44Å; L119-F138 HydrophobicContact CG-CB 3.78Å; L119-F138 HydrophobicContact CG-CG 4.4Å
120	G	89.5	Confident	88.8	Confident	48 Å²	48	90.6 Å²	90.6	50%	0.495	46%	0.46	S	S	.	.	H	α-helix	trans	-64.6	-41	175.6	0	0	0	0	0	113.4	Q116 H117 F118 N122 G123	Q116-G120 PolarHBondContact O-N 3.37Å; H117-G120 PolarHBondContact O-N 2.92Å; F118-G120 VanDerWaalsContact C-N 3.3Å; F118-G120 PolarHBondContact O-N 2.96Å; G120-N122 PolarHBondContact O-N 3.08Å; G120-G123 PolarHBondContact O-N 3.34Å
121	I	87.8	Confident	89.1	Confident	138 Å²	138	91.6 Å²	91.6	71%	0.708	46%	0.459	S	S	*	.	H	α-helix	trans	-63.2	-31.9	175.7	-67.7	164.9	0	0	0	111.4	H117 F118 G123	H117-I121 WeakPolarHBondContact O-CG1 3.44Å; H117-I121 PolarHBondContact O-N 2.66Å; F118-I121 PolarHBondContact O-N 3.09Å; I121-G123 PolarHBondContact O-N 3.36Å
122	N	90.7	Very high	89.1	Confident	91 Å²	91	94.7 Å²	94.7	49%	0.487	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	5.7	175.4	-73.8	-76.3	0	0	0	113.9	F118 L119 G120 I124 F135	F118-N122 PolarHBondContact O-N 3.28Å; F118-N122 VanDerWaalsContact O-N 3.12Å; F118-N122 PolarHBondContact O-ND2 3.31Å; L119-N122 PolarHBondContact O-N 3.19Å; G120-N122 PolarHBondContact O-N 3.08Å; N122-I124 PolarHBondContact O-N 2.86Å; N122-F135 HydrophobicContact CB-CE1 3.54Å; N122-F135 HydrophobicContact CB-CZ 3.88Å
123	G	87.8	Confident	89.1	Confident	60 Å²	60	100.5 Å²	100.5	62%	0.619	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	18.3	172.1	0	0	0	0	0	114.8	G120 I121	G120-G123 PolarHBondContact O-N 3.34Å; I121-G123 PolarHBondContact O-N 3.36Å
124	I	89.6	Confident	89.3	Confident	33 Å²	33	100.3 Å²	100.3	17%	0.169	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-67.2	125	177.4	-66.8	171.6	0	0	0	109.4	L119 N122 Y128 F135	L119-I124 HydrophobicContact CB-CD1 4.04Å; L119-I124 HydrophobicContact CD2-CD1 3.31Å; L119-I124 HydrophobicContact CG-CD1 4.28Å; L119-I124 PolarHBondContact O-N 3.42Å; N122-I124 PolarHBondContact O-N 2.86Å; I124-Y128 HydrophobicContact CG2-CD1 3.83Å; I124-Y128 HydrophobicContact CG2-CE1 3.11Å; I124-Y128 HydrophobicContact CG2-CE2 4.3Å; I124-Y128 WeakPolarHBondContact CG2-OH 3.14Å; I124-F135 HydrophobicContact CD1-CB 4.01Å; I124-F135 HydrophobicContact CD1-CD1 3.78Å; I124-F135 HydrophobicContact CD1-CD2 3.58Å; I124-F135 HydrophobicContact CD1-CE1 4.1Å; I124-F135 HydrophobicContact CD1-CE2 3.9Å; I124-F135 HydrophobicContact CD1-CG 3.5Å; I124-F135 VanDerWaalsContact CD1-CG 3.5Å; I124-F135 HydrophobicContact CD1-CZ 4.15Å; I124-F135 HydrophobicContact CG1-CD2 4.13Å; I124-F135 HydrophobicContact CG1-CE2 4.01Å; I124-F135 HydrophobicContact CG1-CG 4.47Å; I124-F135 HydrophobicContact CG1-CZ 4.26Å
125	P	89.6	Confident	89.4	Confident	91 Å²	91	98.2 Å²	98.2	59%	0.591	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-68.1	163.4	-178.8	29	-35.2	0	0	0	110.9	Y128	P125-Y128 HydrophobicContact CG-CD1 4.48Å; P125-Y128 WeakPolarHBondContact O-CD1 3.48Å; P125-Y128 WeakPolarHBondContact O-CE1 3.46Å
126	R	90.4	Very high	89.4	Confident	197 Å²	197	102.4 Å²	102.4	74%	0.743	53%	0.525	S	S	*	.	S	Bend	trans	-81.6	144.6	172.7	-166.3	-165.1	161.8	-150.6	-1.3	110
127	R	91	Very high	89.6	Confident	203 Å²	203	107.9 Å²	107.9	77%	0.766	54%	0.541	S	S	*	.	S	Bend	trans	70.3	41.6	171.5	-43.3	-177.4	-178.2	131.8	-15.2	115.6
128	Y	87.7	Confident	90	Very high	77 Å²	77	104.8 Å²	104.8	30%	0.302	53%	0.526	S	S	.	.			trans	-86.7	153.1	164.7	54.4	-78.5	0	0	0	109.9	I124 P125 D130 Y131 H139	I124-Y128 HydrophobicContact CG2-CD1 3.83Å; I124-Y128 HydrophobicContact CG2-CE1 3.11Å; I124-Y128 HydrophobicContact CG2-CE2 4.3Å; I124-Y128 WeakPolarHBondContact CG2-OH 3.14Å; P125-Y128 HydrophobicContact CG-CD1 4.48Å; P125-Y128 WeakPolarHBondContact O-CD1 3.48Å; P125-Y128 WeakPolarHBondContact O-CE1 3.46Å; Y128-D130 WeakPolarHBondContact CD2-O 3.32Å; Y128-Y131 HydrophobicContact CD2-CD1 4.13Å; Y128-Y131 AromaticContact CE2-CD1 3.56Å; Y128-Y131 HydrophobicContact CE2-CD1 3.56Å; Y128-Y131 AromaticContact CE2-CG 3.98Å; Y128-Y131 HydrophobicContact CE2-CG 3.98Å; Y128-H139 AromaticContact CZ-CE1 3.96Å; Y128-H139 AromaticContact CZ-NE2 3.84Å; Y128-H139 PolarHBondContact OH-CE1 3.46Å; Y128-H139 PolarHBondContact OH-NE2 3.13Å
129	L	88.3	Confident	90.2	Very high	158 Å²	158	101.6 Å²	101.6	83%	0.827	51%	0.513	S	S	*	.	S	Bend	trans	-83.2	-47.8	170.7	-177.5	63.5	0	0	0	110.4
130	D	89.3	Confident	90.4	Very high	132 Å²	132	107.3 Å²	107.3	71%	0.706	54%	0.535	S	S	*	.			trans	-121.8	155.5	-174.7	-63	-35.8	0	0	0	112.2	Y128	Y128-D130 WeakPolarHBondContact CD2-O 3.32Å
131	Y	88.2	Confident	90.6	Very high	86 Å²	86	108.4 Å²	108.4	34%	0.337	53%	0.529	S	S	.	.			trans	-140.4	156.1	-176.6	49.9	-90.4	0	0	0	111.5	Y128 F135 H136 H139	Y128-Y131 HydrophobicContact CD2-CD1 4.13Å; Y128-Y131 AromaticContact CE2-CD1 3.56Å; Y128-Y131 HydrophobicContact CE2-CD1 3.56Å; Y128-Y131 AromaticContact CE2-CG 3.98Å; Y128-Y131 HydrophobicContact CE2-CG 3.98Å; Y131-F135 HydrophobicContact CD2-CB 4.47Å; Y131-H136 HydrophobicContact CE2-CB 4.33Å; Y131-H139 AromaticContact CD1-CD2 3.91Å; Y131-H139 AromaticContact CD2-CD2 3.71Å; Y131-H139 HydrophobicContact CE1-CB 4.32Å; Y131-H139 AromaticContact CE1-CD2 3.81Å; Y131-H139 AromaticContact CE1-CG 3.93Å; Y131-H139 HydrophobicContact CE2-CB 4.16Å; Y131-H139 AromaticContact CE2-CD2 3.69Å; Y131-H139 AromaticContact CG-CD2 3.81Å; Y131-H139 AromaticContact CZ-CD2 3.7Å; Y131-H139 AromaticContact CZ-CG 3.75Å; Y131-H139 WeakPolarHBondContact OH-CB 3.26Å
132	N	90.3	Very high	90.9	Very high	120 Å²	120	102.6 Å²	102.6	64%	0.642	50%	0.5	S	S	*	.			trans	-64.7	144	177.4	-59.8	43.7	0	0	0	111.3	C134 F135	N132-C134 PolarHBondContact O-N 3.07Å; N132-F135 HydrophobicContact CB-CD2 4.37Å; N132-F135 PolarHBondContact O-N 3.34Å
133	D	91.2	Very high	91.1	Very high	141 Å²	141	100.1 Å²	100.1	75%	0.754	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-55	-26.4	-177.4	-64.9	-28.2	0	0	0	114.1	F135 H136	D133-F135 PolarHBondContact O-N 3.4Å; D133-F135 VanDerWaalsContact O-N 3.11Å; D133-H136 WeakPolarHBondContact O-CB 3.38Å; D133-H136 PolarHBondContact O-N 2.56Å
134	C	91	Very high	91.4	Very high	109 Å²	109	100.2 Å²	100.2	74%	0.736	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-53.5	-32.1	175.3	-57.9	0	0	0	0	113	N132	N132-C134 PolarHBondContact O-N 3.07Å
135	F	90.5	Very high	91.6	Very high	42 Å²	42	98.7 Å²	98.7	18%	0.184	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-96.7	-1.3	-176.8	-58	-60.3	0	0	0	113.8	L119 N122 I124 Y131 N132 D133 R137 F138 H139	L119-F135 HydrophobicContact CD2-CB 3.83Å; L119-F135 HydrophobicContact CD2-CD1 4.13Å; L119-F135 HydrophobicContact CD2-CG 4.2Å; N122-F135 HydrophobicContact CB-CE1 3.54Å; N122-F135 HydrophobicContact CB-CZ 3.88Å; I124-F135 HydrophobicContact CD1-CB 4.01Å; I124-F135 HydrophobicContact CD1-CD1 3.78Å; I124-F135 HydrophobicContact CD1-CD2 3.58Å; I124-F135 HydrophobicContact CD1-CE1 4.1Å; I124-F135 HydrophobicContact CD1-CE2 3.9Å; I124-F135 HydrophobicContact CD1-CG 3.5Å; I124-F135 VanDerWaalsContact CD1-CG 3.5Å; I124-F135 HydrophobicContact CD1-CZ 4.15Å; I124-F135 HydrophobicContact CG1-CD2 4.13Å; I124-F135 HydrophobicContact CG1-CE2 4.01Å; I124-F135 HydrophobicContact CG1-CG 4.47Å; I124-F135 HydrophobicContact CG1-CZ 4.26Å; Y131-F135 HydrophobicContact CD2-CB 4.47Å; N132-F135 HydrophobicContact CB-CD2 4.37Å; N132-F135 PolarHBondContact O-N 3.34Å; D133-F135 PolarHBondContact O-N 3.4Å; D133-F135 VanDerWaalsContact O-N 3.11Å; F135-R137 PolarHBondContact O-N 3.11Å; F135-F138 PolarHBondContact O-N 3.17Å; F135-H139 PolarHBondContact O-N 3.02Å
136	H	92.6	Very high	91.7	Very high	95 Å²	95	100.8 Å²	100.8	44%	0.44	47%	0.465	S	S	.	.	H	α-helix	trans	-53.9	-40.3	-177.4	-178.9	-83.6	0	0	0	112.8	Y131 D133 F138 H139 Y140	Y131-H136 HydrophobicContact CE2-CB 4.33Å; D133-H136 WeakPolarHBondContact O-CB 3.38Å; D133-H136 PolarHBondContact O-N 2.56Å; H136-F138 PolarHBondContact O-N 3.46Å; H136-H139 PolarHBondContact O-N 3.38Å; H136-Y140 VanDerWaalsContact O-CB 3.3Å; H136-Y140 WeakPolarHBondContact O-CB 3.29Å; H136-Y140 PolarHBondContact O-N 3.04Å
137	R	92.7	Very high	92	Very high	204 Å²	204	95.6 Å²	95.6	77%	0.77	45%	0.451	S	S	*	.	H	α-helix	trans	-61.5	-42.6	-178.4	-63.8	-177.6	-174.2	172.8	2.2	112.9	F135 Y140 L141	F135-R137 PolarHBondContact O-N 3.11Å; R137-Y140 PolarHBondContact O-N 3.48Å; R137-L141 WeakPolarHBondContact O-CG 3.34Å; R137-L141 PolarHBondContact O-N 3.35Å
138	F	93.2	Very high	92.1	Very high	65 Å²	65	88.6 Å²	88.6	29%	0.285	43%	0.428	S	S	.	.	H	α-helix	trans	-70.9	-37.8	179.8	-72.7	-70.7	0	0	0	111.9	P115 F118 L119 F135 H136 L141 S142	P115-F138 HydrophobicContact CB-CB 4.15Å; P115-F138 HydrophobicContact CB-CD1 4Å; P115-F138 WeakPolarHBondContact CB-O 3.31Å; F118-F138 HydrophobicContact CB-CD1 4.24Å; F118-F138 HydrophobicContact CB-CE1 3.8Å; F118-F138 HydrophobicContact CB-CZ 4Å; F118-F138 AromaticContact CD2-CE1 3.98Å; F118-F138 HydrophobicContact CD2-CE1 3.98Å; F118-F138 HydrophobicContact CG-CE1 4.02Å; F118-F138 HydrophobicContact CG-CZ 4.37Å; L119-F138 HydrophobicContact CD1-CB 3.93Å; L119-F138 HydrophobicContact CD2-CB 3.78Å; L119-F138 HydrophobicContact CD2-CG 4.44Å; L119-F138 HydrophobicContact CG-CB 3.78Å; L119-F138 HydrophobicContact CG-CG 4.4Å; F135-F138 PolarHBondContact O-N 3.17Å; H136-F138 PolarHBondContact O-N 3.46Å; F138-L141 PolarHBondContact O-N 2.9Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 2.83Å
139	H	92.9	Very high	92.2	Very high	35 Å²	35	86 Å²	86	16%	0.162	42%	0.422	C	S	.	.	H	α-helix	trans	-66.2	-39.6	173.3	-78.9	-60.5	0	0	0	112.7	Y128 Y131 F135 H136 S142 S143	Y128-H139 AromaticContact CZ-CE1 3.96Å; Y128-H139 AromaticContact CZ-NE2 3.84Å; Y128-H139 PolarHBondContact OH-CE1 3.46Å; Y128-H139 PolarHBondContact OH-NE2 3.13Å; Y131-H139 AromaticContact CD1-CD2 3.91Å; Y131-H139 AromaticContact CD2-CD2 3.71Å; Y131-H139 HydrophobicContact CE1-CB 4.32Å; Y131-H139 AromaticContact CE1-CD2 3.81Å; Y131-H139 AromaticContact CE1-CG 3.93Å; Y131-H139 HydrophobicContact CE2-CB 4.16Å; Y131-H139 AromaticContact CE2-CD2 3.69Å; Y131-H139 AromaticContact CG-CD2 3.81Å; Y131-H139 AromaticContact CZ-CD2 3.7Å; Y131-H139 AromaticContact CZ-CG 3.75Å; Y131-H139 WeakPolarHBondContact OH-CB 3.26Å; F135-H139 PolarHBondContact O-N 3.02Å; H136-H139 PolarHBondContact O-N 3.38Å; H139-S142 PolarHBondContact O-N 3.48Å; H139-S143 WeakPolarHBondContact O-CB 3.29Å; H139-S143 PolarHBondContact O-N 3.38Å
140	Y	93.7	Very high	92.4	Very high	128 Å²	128	82.6 Å²	82.6	50%	0.502	40%	0.404	S	S	.	.	H	α-helix	trans	-63.3	-43.4	174.2	-177	-100.3	0	0	0	112.1	H136 R137 S142 S143 L144	H136-Y140 VanDerWaalsContact O-CB 3.3Å; H136-Y140 WeakPolarHBondContact O-CB 3.29Å; H136-Y140 PolarHBondContact O-N 3.04Å; R137-Y140 PolarHBondContact O-N 3.48Å; Y140-S142 VanDerWaalsContact C-N 3.35Å; Y140-S142 PolarHBondContact O-N 3.34Å; Y140-S143 PolarHBondContact O-N 3.43Å; Y140-S143 PolarHBondContact O-OG 3.02Å; Y140-L144 HydrophobicContact CD1-CD1 4.11Å; Y140-L144 HydrophobicContact CE1-CD1 3.64Å; Y140-L144 HydrophobicContact CE1-CG 4.16Å; Y140-L144 WeakPolarHBondContact O-CG 3.44Å; Y140-L144 PolarHBondContact O-N 3.16Å
141	L	94.2	Very high	92.6	Very high	71 Å²	71	79.4 Å²	79.4	37%	0.372	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-44.9	172.9	-72.7	168.4	0	0	0	111.5	L111 P115 R137 F138 S143 L144 G145	L111-L141 HydrophobicContact CD1-CD2 4.34Å; P115-L141 HydrophobicContact CG-CB 3.95Å; R137-L141 WeakPolarHBondContact O-CG 3.34Å; R137-L141 PolarHBondContact O-N 3.35Å; F138-L141 PolarHBondContact O-N 2.9Å; L141-S143 PolarHBondContact O-N 3.2Å; L141-L144 PolarHBondContact O-N 3.48Å; L141-G145 PolarHBondContact O-N 2.72Å; L141-G145 VanDerWaalsContact O-N 3.1Å
142	S	93.6	Very high	92.7	Very high	16 Å²	16	75.5 Å²	75.5	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-32.8	177.8	-179.7	0	0	0	0	112.5	T112 F138 H139 Y140 R146	T112-S142 PolarHBondContact O-OG 2.94Å; T112-S142 PolarHBondContact OG1-O 2.86Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 2.83Å; H139-S142 PolarHBondContact O-N 3.48Å; Y140-S142 VanDerWaalsContact C-N 3.35Å; Y140-S142 PolarHBondContact O-N 3.34Å; S142-R146 PolarHBondContact O-N 3.46Å; S142-R146 VanDerWaalsContact O-N 3.17Å
143	S	94.7	Very high	92.6	Very high	40 Å²	40	72.8 Å²	72.8	28%	0.28	36%	0.362	S	S	.	.	H	α-helix	trans	-74.7	-35.1	178.3	75.2	0	0	0	0	112.2	H139 Y140 L141 R146 I147	H139-S143 WeakPolarHBondContact O-CB 3.29Å; H139-S143 PolarHBondContact O-N 3.38Å; Y140-S143 PolarHBondContact O-N 3.43Å; Y140-S143 PolarHBondContact O-OG 3.02Å; L141-S143 PolarHBondContact O-N 3.2Å; S143-R146 WeakPolarHBondContact O-CB 3.5Å; S143-R146 PolarHBondContact O-N 3.06Å; S143-I147 WeakPolarHBondContact O-CG1 3.03Å; S143-I147 PolarHBondContact O-N 2.97Å; S143-I147 VanDerWaalsContact O-N 3.1Å
144	L	95.8	Very high	92.7	Very high	62 Å²	62	70.4 Å²	70.4	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-44.5	170.4	-69.2	176.5	0	0	0	111.7	L111 Y140 L141 R146 I147 L148	L111-L144 HydrophobicContact CD2-CB 4.11Å; Y140-L144 HydrophobicContact CD1-CD1 4.11Å; Y140-L144 HydrophobicContact CE1-CD1 3.64Å; Y140-L144 HydrophobicContact CE1-CG 4.16Å; Y140-L144 WeakPolarHBondContact O-CG 3.44Å; Y140-L144 PolarHBondContact O-N 3.16Å; L141-L144 PolarHBondContact O-N 3.48Å; L144-R146 PolarHBondContact O-N 3.25Å; L144-I147 PolarHBondContact O-N 3.49Å; L144-I147 VanDerWaalsContact O-N 3.12Å; L144-L148 PolarHBondContact O-N 2.97Å; L144-L148 VanDerWaalsContact O-N 3.08Å
145	G	93.5	Very high	92.5	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-35.7	174.7	0	0	0	0	0	113	G108 T112 L141 I147 L148 S149	G108-G145 CarbonylContact C-O 3.25Å; G108-G145 WeakPolarHBondContact CA-O 3.48Å; G108-G145 CarbonylContact O-C 3.48Å; G108-G145 VanDerWaalsContact O-CA 3.31Å; G108-G145 WeakPolarHBondContact O-CA 3.47Å; T112-G145 WeakPolarHBondContact OG1-CA 3.13Å; L141-G145 PolarHBondContact O-N 2.72Å; L141-G145 VanDerWaalsContact O-N 3.1Å; G145-I147 PolarHBondContact O-N 3.37Å; G145-L148 PolarHBondContact O-N 2.91Å; G145-S149 PolarHBondContact O-N 3.38Å; G145-S149 PolarHBondContact O-OG 3.11Å
146	R	91.6	Very high	92.3	Very high	136 Å²	136	72.3 Å²	72.3	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-38.3	175.7	-174.7	-173.3	65.5	90.3	0.3	111.8	T112 S142 S143 L144 S149 L150	T112-R146 PolarHBondContact OG1-N 2.97Å; S142-R146 PolarHBondContact O-N 3.46Å; S142-R146 VanDerWaalsContact O-N 3.17Å; S143-R146 WeakPolarHBondContact O-CB 3.5Å; S143-R146 PolarHBondContact O-N 3.06Å; L144-R146 PolarHBondContact O-N 3.25Å; R146-S149 WeakPolarHBondContact CA-OG 3.33Å; R146-S149 PolarHBondContact O-OG 2.85Å; R146-L150 HydrophobicContact CG-CD1 4.48Å; R146-L150 WeakPolarHBondContact O-CB 3.45Å; R146-L150 PolarHBondContact O-N 3.48Å
147	I	95.4	Very high	92.2	Very high	87 Å²	87	73.3 Å²	73.3	45%	0.446	36%	0.359	S	S	.	.	H	α-helix	trans	-67.5	-44.2	177.3	-65.8	165.4	0	0	0	110.1	S143 L144 G145 S149 L150 T151	S143-I147 WeakPolarHBondContact O-CG1 3.03Å; S143-I147 PolarHBondContact O-N 2.97Å; S143-I147 VanDerWaalsContact O-N 3.1Å; L144-I147 PolarHBondContact O-N 3.49Å; L144-I147 VanDerWaalsContact O-N 3.12Å; G145-I147 PolarHBondContact O-N 3.37Å; I147-S149 PolarHBondContact O-N 2.96Å; I147-L150 WeakPolarHBondContact O-CB 3.31Å; I147-L150 PolarHBondContact O-N 3.45Å; I147-T151 WeakPolarHBondContact O-CG2 3.3Å; I147-T151 PolarHBondContact O-N 3.37Å; I147-T151 PolarHBondContact O-OG1 3.13Å
148	L	93.2	Very high	92.1	Very high	57 Å²	57	70.4 Å²	70.4	30%	0.298	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-39.5	177.7	-69.4	172.3	0	0	0	113.3	L104 I107 L111 L144 G145 T151 S152	L104-L148 HydrophobicContact CD2-CD2 4.1Å; I107-L148 HydrophobicContact CG2-CD1 4.4Å; L111-L148 HydrophobicContact CD2-CD1 4.11Å; L144-L148 PolarHBondContact O-N 2.97Å; L144-L148 VanDerWaalsContact O-N 3.08Å; G145-L148 PolarHBondContact O-N 2.91Å; L148-T151 PolarHBondContact O-N 2.9Å; L148-T151 PolarHBondContact O-OG1 3.39Å; L148-S152 PolarHBondContact O-N 3.19Å; L148-S152 VanDerWaalsContact O-N 3.11Å
149	S	90.1	Very high	91.9	Very high	23 Å²	23	68.3 Å²	68.3	16%	0.161	34%	0.34	C	S	.	.	H	α-helix	trans	-68.2	-38.2	175.1	47	0	0	0	0	111.9	I105 G145 R146 I147 S152 T153	I105-S149 VanDerWaalsContact CD1-CB 3.48Å; G145-S149 PolarHBondContact O-N 3.38Å; G145-S149 PolarHBondContact O-OG 3.11Å; R146-S149 WeakPolarHBondContact CA-OG 3.33Å; R146-S149 PolarHBondContact O-OG 2.85Å; I147-S149 PolarHBondContact O-N 2.96Å; S149-S152 WeakPolarHBondContact O-CB 3.38Å; S149-S152 PolarHBondContact O-N 3.48Å; S149-T153 WeakPolarHBondContact O-CG2 3.38Å; S149-T153 PolarHBondContact O-N 2.95Å
150	L	93.6	Very high	91.5	Very high	86 Å²	86	69.3 Å²	69.3	45%	0.45	35%	0.349	S	S	.	.	H	α-helix	trans	-60.3	-47.7	172.4	-99.4	158.5	0	0	0	112.1	R146 I147 S152 T153 V154	R146-L150 HydrophobicContact CG-CD1 4.48Å; R146-L150 WeakPolarHBondContact O-CB 3.45Å; R146-L150 PolarHBondContact O-N 3.48Å; I147-L150 WeakPolarHBondContact O-CB 3.31Å; I147-L150 PolarHBondContact O-N 3.45Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.46Å; L150-T153 PolarHBondContact O-N 2.77Å; L150-T153 VanDerWaalsContact O-N 3.17Å; L150-T153 PolarHBondContact O-OG1 2.85Å; L150-V154 WeakPolarHBondContact O-CG2 3.4Å; L150-V154 PolarHBondContact O-N 3.21Å; L150-V154 VanDerWaalsContact O-N 3.11Å
151	T	92.3	Very high	91.4	Very high	64 Å²	64	71.5 Å²	71.5	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-38.8	178.8	56.7	0	0	0	0	111.9	I147 L148 V154 L155	I147-T151 WeakPolarHBondContact O-CG2 3.3Å; I147-T151 PolarHBondContact O-N 3.37Å; I147-T151 PolarHBondContact O-OG1 3.13Å; L148-T151 PolarHBondContact O-N 2.9Å; L148-T151 PolarHBondContact O-OG1 3.39Å; T151-V154 PolarHBondContact O-N 3.17Å; T151-L155 WeakPolarHBondContact O-CG 3.4Å; T151-L155 PolarHBondContact O-N 3.03Å
152	S	90.9	Very high	91	Very high	5 Å²	5	69.9 Å²	69.9	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-47.1	172.5	174.7	0	0	0	0	112.8	A101 I105 L148 S149 L150 V154 L155 F156	A101-S152 WeakPolarHBondContact O-CB 3.45Å; A101-S152 PolarHBondContact O-OG 2.92Å; I105-S152 WeakPolarHBondContact CB-OG 3.46Å; I105-S152 PolarHBondContact N-OG 3.49Å; L148-S152 PolarHBondContact O-N 3.19Å; L148-S152 VanDerWaalsContact O-N 3.11Å; S149-S152 WeakPolarHBondContact O-CB 3.38Å; S149-S152 PolarHBondContact O-N 3.48Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.46Å; S152-V154 VanDerWaalsContact C-N 3.27Å; S152-V154 PolarHBondContact O-N 3.14Å; S152-L155 WeakPolarHBondContact O-CB 3.44Å; S152-L155 PolarHBondContact O-N 3.38Å; S152-L155 VanDerWaalsContact O-N 3.13Å; S152-F156 PolarHBondContact O-N 3.08Å
153	T	88.5	Confident	90.5	Very high	63 Å²	63	74.7 Å²	74.7	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-37.2	-179.2	57.9	0	0	0	0	112	S149 L150 F156 L157	S149-T153 WeakPolarHBondContact O-CG2 3.38Å; S149-T153 PolarHBondContact O-N 2.95Å; L150-T153 PolarHBondContact O-N 2.77Å; L150-T153 VanDerWaalsContact O-N 3.17Å; L150-T153 PolarHBondContact O-OG1 2.85Å; T153-F156 PolarHBondContact O-N 3.49Å; T153-L157 VanDerWaalsContact O-CG 3.31Å; T153-L157 WeakPolarHBondContact O-CG 3.4Å; T153-L157 PolarHBondContact O-N 3.24Å
154	V	92.5	Very high	90	Very high	91 Å²	91	78.2 Å²	78.2	55%	0.552	38%	0.378	S	S	*	.	H	α-helix	trans	-64.8	-44.2	174.3	175.2	0	0	0	0	111.2	L150 T151 S152 F156 L157 Y158	L150-V154 WeakPolarHBondContact O-CG2 3.4Å; L150-V154 PolarHBondContact O-N 3.21Å; L150-V154 VanDerWaalsContact O-N 3.11Å; T151-V154 PolarHBondContact O-N 3.17Å; S152-V154 VanDerWaalsContact C-N 3.27Å; S152-V154 PolarHBondContact O-N 3.14Å; V154-F156 VanDerWaalsContact C-N 3.34Å; V154-F156 PolarHBondContact O-N 3.12Å; V154-L157 PolarHBondContact O-N 2.79Å; V154-Y158 WeakPolarHBondContact O-CB 3.05Å; V154-Y158 PolarHBondContact O-N 3.18Å
155	L	88.1	Confident	89.7	Confident	62 Å²	62	78.7 Å²	78.7	33%	0.325	38%	0.383	S	S	.	.	H	α-helix	trans	-60.8	-42	174.7	-74.9	169	0	0	0	111.9	A101 L104 T151 S152 Y158 L159	A101-L155 HydrophobicContact CB-CB 4.09Å; L104-L155 HydrophobicContact CD1-CD1 3.55Å; T151-L155 WeakPolarHBondContact O-CG 3.4Å; T151-L155 PolarHBondContact O-N 3.03Å; S152-L155 WeakPolarHBondContact O-CB 3.44Å; S152-L155 PolarHBondContact O-N 3.38Å; S152-L155 VanDerWaalsContact O-N 3.13Å; L155-Y158 PolarHBondContact O-N 3.13Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.2Å; L155-L159 PolarHBondContact O-N 2.93Å
156	F	86.3	Confident	89.1	Confident	128 Å²	128	80.4 Å²	80.4	56%	0.561	40%	0.395	S	S	*	.	H	α-helix	trans	-63.8	-41.8	177.1	178.3	-100.8	0	0	0	112.4	S152 T153 V154 L159 T160	S152-F156 PolarHBondContact O-N 3.08Å; T153-F156 PolarHBondContact O-N 3.49Å; V154-F156 VanDerWaalsContact C-N 3.34Å; V154-F156 PolarHBondContact O-N 3.12Å; F156-L159 PolarHBondContact O-N 3.1Å; F156-T160 WeakPolarHBondContact O-CB 3.24Å; F156-T160 PolarHBondContact O-N 3.33Å; F156-T160 PolarHBondContact O-OG1 3.35Å
157	L	90.3	Very high	88.4	Confident	116 Å²	116	81.8 Å²	81.8	61%	0.607	41%	0.407	S	S	*	.	H	α-helix	trans	-63.5	-43.4	174.6	-72.1	172.6	0	0	0	111.6	T153 V154 L159 T160 W161	T153-L157 VanDerWaalsContact O-CG 3.31Å; T153-L157 WeakPolarHBondContact O-CG 3.4Å; T153-L157 PolarHBondContact O-N 3.24Å; V154-L157 PolarHBondContact O-N 2.79Å; L157-L159 PolarHBondContact O-N 3.39Å; L157-T160 PolarHBondContact O-N 3.07Å; L157-W161 WeakPolarHBondContact O-CB 3.21Å; L157-W161 PolarHBondContact O-N 3.1Å
158	Y	90.1	Very high	87.3	Confident	144 Å²	144	85.1 Å²	85.1	57%	0.565	41%	0.414	S	S	*	.	H	α-helix	trans	-59.9	-44.6	175.1	170	-100.1	0	0	0	112.1	V154 L155 T160 W161 E162	V154-Y158 WeakPolarHBondContact O-CB 3.05Å; V154-Y158 PolarHBondContact O-N 3.18Å; L155-Y158 PolarHBondContact O-N 3.13Å; Y158-T160 PolarHBondContact O-N 3.4Å; Y158-W161 WeakPolarHBondContact O-CB 3.44Å; Y158-W161 PolarHBondContact O-N 2.89Å; Y158-E162 PolarHBondContact O-N 3.21Å
159	L	87.8	Confident	86	Confident	20 Å²	20	91.3 Å²	91.3	11%	0.105	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177	-71.8	169	0	0	0	111.6	F97 A98 A101 L155 F156 L157 W161 E162 R163	F97-L159 HydrophobicContact CB-CD1 4.21Å; F97-L159 HydrophobicContact CB-CD2 3.75Å; A98-L159 HydrophobicContact CB-CD1 4.19Å; A101-L159 HydrophobicContact CB-CD1 4.39Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.2Å; L155-L159 PolarHBondContact O-N 2.93Å; F156-L159 PolarHBondContact O-N 3.1Å; L157-L159 PolarHBondContact O-N 3.39Å; L159-W161 VanDerWaalsContact C-N 3.32Å; L159-W161 PolarHBondContact O-N 3.3Å; L159-E162 PolarHBondContact O-N 3.3Å; L159-R163 VanDerWaalsContact O-CG 3.31Å; L159-R163 WeakPolarHBondContact O-CG 3.5Å; L159-R163 PolarHBondContact O-N 2.81Å
160	T	84.9	Confident	84.8	Confident	57 Å²	57	96.8 Å²	96.8	35%	0.35	46%	0.464	S	S	.	.	H	α-helix	trans	-61.7	-43.3	177	-55.1	0	0	0	0	111	F156 L157 Y158 E162 R163 I164	F156-T160 WeakPolarHBondContact O-CB 3.24Å; F156-T160 PolarHBondContact O-N 3.33Å; F156-T160 PolarHBondContact O-OG1 3.35Å; L157-T160 PolarHBondContact O-N 3.07Å; Y158-T160 PolarHBondContact O-N 3.4Å; T160-E162 PolarHBondContact O-N 3.05Å; T160-R163 PolarHBondContact O-N 3.29Å; T160-I164 HydrophobicContact CG2-CD1 4.1Å; T160-I164 WeakPolarHBondContact O-CG1 3.02Å; T160-I164 PolarHBondContact O-N 3.03Å
161	W	91.6	Very high	83.3	Confident	173 Å²	173	100.1 Å²	100.1	66%	0.655	48%	0.481	S	S	*	.	H	α-helix	trans	-59.7	-44.7	174.1	173.7	-90.5	0	0	0	112.3	L157 Y158 L159 R163 I164 T165	L157-W161 WeakPolarHBondContact O-CB 3.21Å; L157-W161 PolarHBondContact O-N 3.1Å; Y158-W161 WeakPolarHBondContact O-CB 3.44Å; Y158-W161 PolarHBondContact O-N 2.89Å; L159-W161 VanDerWaalsContact C-N 3.32Å; L159-W161 PolarHBondContact O-N 3.3Å; W161-R163 VanDerWaalsContact C-N 3.33Å; W161-R163 PolarHBondContact O-N 3Å; W161-I164 PolarHBondContact O-N 3.35Å; W161-T165 HydrophobicContact CD2-CG2 4.33Å; W161-T165 HydrophobicContact CZ2-CG2 4.05Å; W161-T165 WeakPolarHBondContact O-CG2 3.44Å; W161-T165 PolarHBondContact O-N 2.91Å; W161-T165 PolarHBondContact O-OG1 3.24Å
162	E	86.8	Confident	81.7	Confident	37 Å²	37	103 Å²	103	17%	0.173	50%	0.499	C	S	.	.	H	α-helix	trans	-64.6	-36.4	175.6	-173.7	-93.4	158.7	0	0	112	Y158 L159 T160 T165 S166 R168	Y158-E162 PolarHBondContact O-N 3.21Å; L159-E162 PolarHBondContact O-N 3.3Å; T160-E162 PolarHBondContact O-N 3.05Å; E162-T165 WeakPolarHBondContact CA-OG1 3.47Å; E162-T165 PolarHBondContact O-OG1 3.43Å; E162-S166 WeakPolarHBondContact O-CB 3.35Å; E162-S166 PolarHBondContact O-N 3.28Å; E162-S166 PolarHBondContact O-OG 3.24Å; E162-R168 IonicContact OE1-CZ 3.48Å; E162-R168 IonicContact OE1-NH2 2.76Å; E162-R168 PolarHBondContact OE1-NH2 3.24Å
163	R	82.5	Confident	80	Confident	117 Å²	117	107.4 Å²	107.4	44%	0.442	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-40.1	174	-66.5	-54.1	123.8	174.5	4.3	112.6	L159 T160 W161	L159-R163 VanDerWaalsContact O-CG 3.31Å; L159-R163 WeakPolarHBondContact O-CG 3.5Å; L159-R163 PolarHBondContact O-N 2.81Å; T160-R163 PolarHBondContact O-N 3.29Å; W161-R163 VanDerWaalsContact C-N 3.33Å; W161-R163 PolarHBondContact O-N 3Å
164	I	84.3	Confident	78.7	Confident	115 Å²	115	110.3 Å²	110.3	59%	0.59	55%	0.545	S	S	*	.	H	α-helix	trans	-68.7	-44.7	179.1	-66.5	164.4	0	0	0	110.6	T160 W161	T160-I164 HydrophobicContact CG2-CD1 4.1Å; T160-I164 WeakPolarHBondContact O-CG1 3.02Å; T160-I164 PolarHBondContact O-N 3.03Å; W161-I164 PolarHBondContact O-N 3.35Å
165	T	89	Confident	77.3	Confident	71 Å²	71	108.1 Å²	108.1	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-75.4	-28.6	-175.9	50.3	0	0	0	0	113.8	W161 E162 H167	W161-T165 HydrophobicContact CD2-CG2 4.33Å; W161-T165 HydrophobicContact CZ2-CG2 4.05Å; W161-T165 WeakPolarHBondContact O-CG2 3.44Å; W161-T165 PolarHBondContact O-N 2.91Å; W161-T165 PolarHBondContact O-OG1 3.24Å; E162-T165 WeakPolarHBondContact CA-OG1 3.47Å; E162-T165 PolarHBondContact O-OG1 3.43Å; T165-H167 VanDerWaalsContact C-N 3.34Å; T165-H167 PolarHBondContact O-CD2 3.47Å; T165-H167 PolarHBondContact O-N 3.44Å
166	S	82	Confident	76.3	Confident	36 Å²	36	109.6 Å²	109.6	25%	0.252	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.5	-173.3	60.9	0	0	0	0	115.7	E162 R168	E162-S166 WeakPolarHBondContact O-CB 3.35Å; E162-S166 PolarHBondContact O-N 3.28Å; E162-S166 PolarHBondContact O-OG 3.24Å; S166-R168 WeakPolarHBondContact O-CG 3.46Å; S166-R168 PolarHBondContact O-N 2.99Å
167	H	76.4	Confident	75.4	Confident	166 Å²	166	109.3 Å²	109.3	77%	0.769	55%	0.552	S	S	*	*			trans	38.9	37.3	176	-68.2	-69.3	0	0	0	115	T165 H169	T165-H167 VanDerWaalsContact C-N 3.34Å; T165-H167 PolarHBondContact O-CD2 3.47Å; T165-H167 PolarHBondContact O-N 3.44Å; H167-H169 PolarHBondContact O-N 3.27Å
168	R	71.3	Confident	74.6	Confident	156 Å²	156	110.5 Å²	110.5	59%	0.589	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-74.9	131.1	-174.9	-63.6	-169.9	-171.7	157.1	17.5	110.4	E162 S166 Q170	E162-R168 IonicContact OE1-CZ 3.48Å; E162-R168 IonicContact OE1-NH2 2.76Å; E162-R168 PolarHBondContact OE1-NH2 3.24Å; S166-R168 WeakPolarHBondContact O-CG 3.46Å; S166-R168 PolarHBondContact O-N 2.99Å; R168-Q170 PolarHBondContact O-N 2.94Å
169	H	66.3	Low	73.7	Confident	187 Å²	187	104.9 Å²	104.9	87%	0.866	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-57.8	133	169.2	-70	-70.1	0	0	0	110	H167	H167-H169 PolarHBondContact O-N 3.27Å
170	Q	65.6	Low	73.1	Confident	138 Å²	138	106.9 Å²	106.9	65%	0.645	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-68.9	134.6	174.9	-69	-179.4	-28.6	0	0	109.4	R168	R168-Q170 PolarHBondContact O-N 2.94Å
171	I	61.8	Low	72.5	Confident	157 Å²	157	109.8 Å²	109.8	81%	0.805	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-69.3	136.9	166.7	-60.7	169.9	0	0	0	107	N173	I171-N173 PolarHBondContact O-N 3.44Å
172	T	58.2	Low	71.7	Confident	125 Å²	125	103.7 Å²	103.7	77%	0.767	55%	0.545	S	S	*	.			trans	-44.8	131.2	-175.9	49.3	0	0	0	0	113.2	S174	T172-S174 PolarHBondContact O-N 3.48Å; T172-S174 VanDerWaalsContact O-N 3.12Å
173	N	55.7	Low	71	Confident	96 Å²	96	107.8 Å²	107.8	51%	0.513	57%	0.567	S	S	.	*			trans	-62.3	110.2	173.4	-81.5	-18.8	0	0	0	110.1	I171 A175	I171-N173 PolarHBondContact O-N 3.44Å; N173-A175 PolarHBondContact O-N 2.97Å
174	S	60.5	Low	70.9	Confident	125 Å²	125	104 Å²	104	87%	0.874	56%	0.555	S	S	*	*			trans	-90	23	170.1	56.1	0	0	0	0	112.6	T172	T172-S174 PolarHBondContact O-N 3.48Å; T172-S174 VanDerWaalsContact O-N 3.12Å
175	A	64	Low	70.3	Confident	45 Å²	45	103.6 Å²	103.6	37%	0.372	56%	0.559	S	S	.	*	S	Bend	trans	-76.5	145.5	179.4	0	0	0	0	0	110.9	N173 I177 I182	N173-A175 PolarHBondContact O-N 2.97Å; A175-I177 PolarHBondContact O-N 2.76Å; A175-I182 HydrophobicContact CB-CG2 4.18Å
176	P	66	Low	69.5	Low	92 Å²	92	106 Å²	106	60%	0.597	56%	0.561	S	S	*	*			trans	-59	131.2	173.5	25.4	-33.4	0	0	0	110.1	N178 I182	P176-N178 VanDerWaalsContact C-N 3.28Å; P176-N178 PolarHBondContact O-N 3.12Å; P176-I182 WeakPolarHBondContact O-CD1 2.98Å
177	I	68.6	Low	69.3	Low	122 Å²	122	110 Å²	110	63%	0.626	59%	0.586	S	S	*	*			trans	-75.3	82.8	-178.8	-53.1	169.5	0	0	0	108.4	A175 L183	A175-I177 PolarHBondContact O-N 2.76Å; I177-L183 HydrophobicContact CD1-CD1 4.35Å; I177-L183 HydrophobicContact CG2-CD1 4.47Å
178	N	72.7	Confident	69.4	Low	142 Å²	142	106 Å²	106	76%	0.759	57%	0.569	S	S	*	*			trans	-101.1	-16.3	178.1	-67.8	-3	0	0	0	112.6	P176	P176-N178 VanDerWaalsContact C-N 3.28Å; P176-N178 PolarHBondContact O-N 3.12Å
179	S	72.7	Confident	69.8	Low	26 Å²	26	102.4 Å²	102.4	18%	0.182	56%	0.564	C	S	.	*	S	Bend	trans	-141.3	148.9	179	56.3	0	0	0	0	110	E181 I182	S179-E181 VanDerWaalsContact CB-CD 3.46Å; S179-E181 WeakPolarHBondContact CB-OE1 3.21Å; S179-E181 PolarHBondContact O-N 3.45Å; S179-E181 WeakPolarHBondContact OG-CG 3.34Å; S179-E181 PolarHBondContact OG-OE1 3.27Å; S179-I182 PolarHBondContact O-N 3.28Å
180	P	73.6	Confident	70.3	Confident	61 Å²	61	102 Å²	102	40%	0.396	56%	0.563	S	S	.	*	H	α-helix	trans	-63.9	-22.2	-179.2	26.3	-34.4	0	0	0	112.7	I182 L183 N197	P180-I182 PolarHBondContact O-N 2.8Å; P180-L183 WeakPolarHBondContact O-CB 3.46Å; P180-L183 PolarHBondContact O-N 2.84Å; P180-L183 VanDerWaalsContact O-N 3.12Å; P180-N197 WeakPolarHBondContact CB-ND2 3.17Å
181	E	73.1	Confident	71.1	Confident	118 Å²	118	102.7 Å²	102.7	55%	0.551	57%	0.566	S	S	*	*	H	α-helix	trans	-64.7	-24.4	177.6	68.5	-120	179.3	0	0	113.7	S179 L183	S179-E181 VanDerWaalsContact CB-CD 3.46Å; S179-E181 WeakPolarHBondContact CB-OE1 3.21Å; S179-E181 PolarHBondContact O-N 3.45Å; S179-E181 WeakPolarHBondContact OG-CG 3.34Å; S179-E181 PolarHBondContact OG-OE1 3.27Å; E181-L183 VanDerWaalsContact C-N 3.31Å
182	I	74.6	Confident	71.6	Confident	46 Å²	46	97.8 Å²	97.8	24%	0.236	54%	0.543	C	S	.	.	H	α-helix	trans	-75.2	-26.3	177.3	-62.4	171.5	0	0	0	110.8	A175 P176 S179 P180	A175-I182 HydrophobicContact CB-CG2 4.18Å; P176-I182 WeakPolarHBondContact O-CD1 2.98Å; S179-I182 PolarHBondContact O-N 3.28Å; P180-I182 PolarHBondContact O-N 2.8Å
183	L	72.7	Confident	72.5	Confident	122 Å²	122	97.1 Å²	97.1	64%	0.639	53%	0.53	S	S	*	.	H	α-helix	trans	-76.3	-23.3	179.5	-163.6	90.2	0	0	0	112.5	I177 P180 E181	I177-L183 HydrophobicContact CD1-CD1 4.35Å; I177-L183 HydrophobicContact CG2-CD1 4.47Å; P180-L183 WeakPolarHBondContact O-CB 3.46Å; P180-L183 PolarHBondContact O-N 2.84Å; P180-L183 VanDerWaalsContact O-N 3.12Å; E181-L183 VanDerWaalsContact C-N 3.31Å
184	L	78.9	Confident	73.5	Confident	37 Å²	37	100.8 Å²	100.8	19%	0.194	55%	0.548	C	S	.	.	S	Bend	trans	-68.6	136.6	-175.2	-60.3	178.3	0	0	0	111.2	I188 T192 F193	L184-I188 HydrophobicContact CB-CG1 4.29Å; L184-I188 HydrophobicContact CD1-CD1 4.12Å; L184-I188 HydrophobicContact CD1-CG1 4.34Å; L184-I188 HydrophobicContact CD1-CG2 4.43Å; L184-T192 HydrophobicContact CD1-CG2 3.62Å; L184-T192 HydrophobicContact CD2-CG2 3.3Å; L184-T192 HydrophobicContact CG-CG2 4.08Å; L184-F193 HydrophobicContact CD2-CE1 4.41Å; L184-F193 HydrophobicContact CD2-CZ 4.1Å
185	T	72.7	Confident	74.3	Confident	108 Å²	108	98.9 Å²	98.9	66%	0.663	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-72.3	136.3	171.4	52.8	0	0	0	0	110	P187 I188	T185-P187 CarbonylContact O-C 3.6Å; T185-P187 VanDerWaalsContact O-C 3.25Å; T185-P187 VanDerWaalsContact O-O 3.1Å; T185-I188 WeakPolarHBondContact O-CA 3.34Å; T185-I188 PolarHBondContact O-N 3.17Å
186	Y	71.7	Confident	74.8	Confident	122 Å²	122	101 Å²	101	48%	0.478	55%	0.545	S	S	.	.	S	Bend	trans	-93.7	138.9	172.7	-68.7	-85.7	0	0	0	110.6	I188	Y186-I188 HydrophobicContact CD1-CG1 4.47Å; Y186-I188 HydrophobicContact CE1-CD1 4.43Å
187	P	78.6	Confident	74.9	Confident	120 Å²	120	98.8 Å²	98.8	78%	0.779	53%	0.528	S	S	*	.	S	Bend	cis	-67.6	145.1	-8.8	30.8	-34.6	0	0	0	111.2	T185	T185-P187 CarbonylContact O-C 3.6Å; T185-P187 VanDerWaalsContact O-C 3.25Å; T185-P187 VanDerWaalsContact O-O 3.1Å
188	I	79.1	Confident	74.8	Confident	82 Å²	82	99.8 Å²	99.8	42%	0.421	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-63.7	139.3	179.6	-61.8	168.5	0	0	0	108.9	L184 T185 Y186 T192	L184-I188 HydrophobicContact CB-CG1 4.29Å; L184-I188 HydrophobicContact CD1-CD1 4.12Å; L184-I188 HydrophobicContact CD1-CG1 4.34Å; L184-I188 HydrophobicContact CD1-CG2 4.43Å; T185-I188 WeakPolarHBondContact O-CA 3.34Å; T185-I188 PolarHBondContact O-N 3.17Å; Y186-I188 HydrophobicContact CD1-CG1 4.47Å; Y186-I188 HydrophobicContact CE1-CD1 4.43Å; I188-T192 HydrophobicContact CG2-CG2 3.96Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.35Å
189	T	78.1	Confident	74.3	Confident	79 Å²	79	100.5 Å²	100.5	49%	0.485	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-70.2	144.1	174.9	55.4	0	0	0	0	111	H191 T192	T189-H191 PolarHBondContact O-N 3.17Å; T189-H191 VanDerWaalsContact O-N 3.07Å; T189-H191 PolarHBondContact OG1-O 3.44Å; T189-T192 PolarHBondContact O-OG1 2.85Å; T189-T192 WeakPolarHBondContact OG1-CA 3.5Å
190	E	78.2	Confident	73.6	Confident	180 Å²	180	103.4 Å²	103.4	84%	0.841	56%	0.557	S	S	*	*	S	Bend	trans	-52.1	-32.5	177.1	-63.9	-65.6	164.8	0	0	112.9
191	H	81.7	Confident	72.5	Confident	152 Å²	152	105.1 Å²	105.1	70%	0.704	56%	0.563	S	S	*	*	S	Bend	trans	-118.5	95.8	170.6	-57.7	-49.3	0	0	0	108.9	T189	T189-H191 PolarHBondContact O-N 3.17Å; T189-H191 VanDerWaalsContact O-N 3.07Å; T189-H191 PolarHBondContact OG1-O 3.44Å
192	T	71.6	Confident	71.2	Confident	53 Å²	53	108.9 Å²	108.9	33%	0.325	60%	0.598	S	S	.	*			trans	-71.7	-39.9	-172.2	-41.4	0	0	0	0	112.8	L184 I188 T189	L184-T192 HydrophobicContact CD1-CG2 3.62Å; L184-T192 HydrophobicContact CD2-CG2 3.3Å; L184-T192 HydrophobicContact CG-CG2 4.08Å; I188-T192 HydrophobicContact CG2-CG2 3.96Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.35Å; T189-T192 PolarHBondContact O-OG1 2.85Å; T189-T192 WeakPolarHBondContact OG1-CA 3.5Å
193	F	77.1	Confident	71	Confident	111 Å²	111	112.1 Å²	112.1	49%	0.487	62%	0.616	S	S	.	*			trans	-124.5	115.5	-177	-62.3	-70.6	0	0	0	109.2	L184 S195 N197	L184-F193 HydrophobicContact CD2-CE1 4.41Å; L184-F193 HydrophobicContact CD2-CZ 4.1Å; F193-S195 VanDerWaalsContact C-N 3.29Å; F193-S195 WeakPolarHBondContact CB-O 3.3Å; F193-N197 HydrophobicContact CD1-CB 4.43Å; F193-N197 HydrophobicContact CE1-CB 4.2Å
194	L	77.8	Confident	70.9	Confident	173 Å²	173	111.5 Å²	111.5	91%	0.906	61%	0.614	S	S	*	*	S	Bend	trans	-78.9	-19.2	171.2	-64	173.8	0	0	0	111.8
195	S	77	Confident	70.5	Confident	85 Å²	85	115.7 Å²	115.7	59%	0.594	64%	0.638	S	S	*	*	S	Bend	trans	-139.2	152.5	176.4	55.9	0	0	0	0	109.5	F193 N197	F193-S195 VanDerWaalsContact C-N 3.29Å; F193-S195 WeakPolarHBondContact CB-O 3.3Å; S195-N197 PolarHBondContact O-N 3.33Å
196	P	75.2	Confident	70.3	Confident	91 Å²	91	116.1 Å²	116.1	59%	0.591	64%	0.636	S	S	*	*			trans	-57.3	138.2	179.1	24.3	-33.8	0	0	0	110.5	L198	P196-L198 PolarHBondContact O-N 3.42Å
197	N	68.1	Low	70.3	Confident	44 Å²	44	115.8 Å²	115.8	24%	0.235	65%	0.646	C	S	.	*			trans	-63.4	125.9	176	-170.6	2.4	0	0	0	108.7	P180 F193 S195 L199 S200	P180-N197 WeakPolarHBondContact CB-ND2 3.17Å; F193-N197 HydrophobicContact CD1-CB 4.43Å; F193-N197 HydrophobicContact CE1-CB 4.2Å; S195-N197 PolarHBondContact O-N 3.33Å; N197-L199 PolarHBondContact O-N 3.06Å; N197-S200 PolarHBondContact O-N 3.11Å; N197-S200 PolarHBondContact O-OG 2.99Å
198	L	65.8	Low	69.7	Low	144 Å²	144	115.5 Å²	115.5	75%	0.754	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-58.9	-21.5	-176	-67.5	170.9	0	0	0	112.8	P196 S200 L201	P196-L198 PolarHBondContact O-N 3.42Å; L198-S200 VanDerWaalsContact C-N 3.28Å; L198-S200 PolarHBondContact O-N 2.99Å; L198-L201 HydrophobicContact CD2-CD1 4Å
199	L	61.2	Low	69	Low	156 Å²	156	117.9 Å²	117.9	82%	0.817	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-74.5	-7.7	174.2	-79.7	147	0	0	0	115.1	N197	N197-L199 PolarHBondContact O-N 3.06Å
200	S	58.7	Low	68.3	Low	87 Å²	87	120.8 Å²	120.8	61%	0.608	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-106	1.8	178.7	62.5	0	0	0	0	113.9	N197 L198	N197-S200 PolarHBondContact O-N 3.11Å; N197-S200 PolarHBondContact O-OG 2.99Å; L198-S200 VanDerWaalsContact C-N 3.28Å; L198-S200 PolarHBondContact O-N 2.99Å
201	L	50.5	Low	67.5	Low	97 Å²	97	115.9 Å²	115.9	51%	0.508	65%	0.651	S	S	.	*			trans	-83.1	144.3	172.6	-66.4	171.6	0	0	0	109.6	L198	L198-L201 HydrophobicContact CD2-CD1 4Å
202	P	45.6	Very low	66.2	Low	198 Å²	198	112.6 Å²	112.6	100%	1.286	65%	0.646	S	S	*	*			trans	-60.8	0	179.1	27.8	-35.8	0	0	0	113.1

Retrieved 202 of 202 residues in 232.8 ms (Link to these results)

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