A0A077ZKS8_TRITR Loading...

Gag pol polyprotein

AlphaFold DB , UniProt , Accession A0A077ZKS8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 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	62.7	Low	73.7	Confident	199 Å²	199	87.5 Å²	87.5	98%	0.98	46%	0.46	S	S	*	.				0	-51.8	0	-164.5	173.9	-76.9	0	0	110.7	L3 L4 V5	M1-L3 PolarHBondContact O-N 3.41Å; M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.15Å
2	E	72.4	Confident	74.4	Confident	174 Å²	174	89.4 Å²	89.4	81%	0.813	46%	0.456	S	S	*	.	H	α-helix	trans	-56.3	-44.3	177.6	-67.2	177.4	168.9	0	0	114.3	L4 V5 S6	E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.47Å; E2-V5 PolarHBondContact O-N 3.41Å; E2-S6 WeakPolarHBondContact O-CB 3.46Å; E2-S6 PolarHBondContact O-N 3.42Å
3	L	72.6	Confident	75.3	Confident	142 Å²	142	90.8 Å²	90.8	74%	0.743	47%	0.472	S	S	*	.	H	α-helix	trans	-58.7	-39.8	176	-72.9	167.4	0	0	0	112.7	M1 S6 Q7	M1-L3 PolarHBondContact O-N 3.41Å; L3-S6 WeakPolarHBondContact O-CB 2.86Å; L3-S6 PolarHBondContact O-N 3.48Å; L3-Q7 WeakPolarHBondContact O-CG 3.46Å; L3-Q7 PolarHBondContact O-N 3.25Å
4	L	70.1	Confident	76.2	Confident	56 Å²	56	92.6 Å²	92.6	29%	0.293	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-46.1	179.7	-171.9	92.6	0	0	0	111.3	M1 E2 S6 Q7 Q8 P47	M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-L4 VanDerWaalsContact O-N 3.13Å; E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.47Å; L4-S6 VanDerWaalsContact C-N 3.31Å; L4-S6 PolarHBondContact O-N 2.92Å; L4-Q7 PolarHBondContact O-N 3.41Å; L4-Q8 WeakPolarHBondContact O-CB 3.37Å; L4-Q8 PolarHBondContact O-N 3.47Å; L4-P47 VanDerWaalsContact CD1-CD 3.42Å; L4-P47 HydrophobicContact CD1-CG 4.11Å
5	V	72.9	Confident	77.2	Confident	72 Å²	72	86.6 Å²	86.6	44%	0.436	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-44.7	178.5	176.1	0	0	0	0	109.9	M1 E2 Q8 D9	M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.15Å; E2-V5 PolarHBondContact O-N 3.41Å; V5-Q8 PolarHBondContact O-N 3.4Å; V5-D9 WeakPolarHBondContact O-CB 3.49Å; V5-D9 PolarHBondContact O-N 3.37Å
6	S	74.6	Confident	78.2	Confident	65 Å²	65	85.6 Å²	85.6	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-55.9	-51.6	174.2	163.1	0	0	0	0	112.6	E2 L3 L4 Q8 D9 T10	E2-S6 WeakPolarHBondContact O-CB 3.46Å; E2-S6 PolarHBondContact O-N 3.42Å; L3-S6 WeakPolarHBondContact O-CB 2.86Å; L3-S6 PolarHBondContact O-N 3.48Å; L4-S6 VanDerWaalsContact C-N 3.31Å; L4-S6 PolarHBondContact O-N 2.92Å; S6-Q8 VanDerWaalsContact C-N 3.35Å; S6-Q8 PolarHBondContact O-N 3.36Å; S6-D9 PolarHBondContact O-N 2.85Å; S6-T10 PolarHBondContact O-N 3.31Å; S6-T10 PolarHBondContact O-OG1 3.12Å; S6-T10 VanDerWaalsContact O-OG1 3.07Å
7	Q	70.5	Confident	79.2	Confident	73 Å²	73	87.9 Å²	87.9	34%	0.341	45%	0.453	S	S	.	.	H	α-helix	trans	-61.3	-42.3	178.7	-71	177.6	-65	0	0	112.3	L3 L4 T10 A11 S45 M46	L3-Q7 WeakPolarHBondContact O-CG 3.46Å; L3-Q7 PolarHBondContact O-N 3.25Å; L4-Q7 PolarHBondContact O-N 3.41Å; Q7-T10 PolarHBondContact O-N 3.34Å; Q7-A11 WeakPolarHBondContact O-CB 3.44Å; Q7-A11 PolarHBondContact O-N 2.96Å; Q7-S45 PolarHBondContact NE2-OG 3.48Å; Q7-M46 HydrophobicContact CB-CE 3.9Å; Q7-M46 WeakPolarHBondContact O-CE 3.38Å
8	Q	76.5	Confident	80	Confident	39 Å²	39	83.2 Å²	83.2	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-65.3	-41	178.8	-171.8	177.4	-8.3	0	0	111.5	L4 V5 S6 R12 M46	L4-Q8 WeakPolarHBondContact O-CB 3.37Å; L4-Q8 PolarHBondContact O-N 3.47Å; V5-Q8 PolarHBondContact O-N 3.4Å; S6-Q8 VanDerWaalsContact C-N 3.35Å; S6-Q8 PolarHBondContact O-N 3.36Å; Q8-R12 WeakPolarHBondContact O-CB 3.42Å; Q8-R12 PolarHBondContact O-N 3.03Å; Q8-M46 HydrophobicContact CB-CE 4.38Å; Q8-M46 HydrophobicContact CB-SD 4.47Å
9	D	79.4	Confident	80.7	Confident	80 Å²	80	82.4 Å²	82.4	43%	0.428	43%	0.431	S	S	.	.	H	α-helix	trans	-66.4	-43.2	176.8	-75.7	-24.7	0	0	0	111.4	V5 S6 R12 T13	V5-D9 WeakPolarHBondContact O-CB 3.49Å; V5-D9 PolarHBondContact O-N 3.37Å; S6-D9 PolarHBondContact O-N 2.85Å; D9-R12 PolarHBondContact O-N 2.91Å; D9-T13 WeakPolarHBondContact O-CG2 3.44Å; D9-T13 PolarHBondContact O-N 3.37Å; D9-T13 PolarHBondContact O-OG1 2.89Å
10	T	79.7	Confident	81.1	Confident	63 Å²	63	82.1 Å²	82.1	39%	0.387	42%	0.424	S	S	.	.	H	α-helix	trans	-56.8	-55	173.5	-59.9	0	0	0	0	110.8	S6 Q7 R12 T13 H14	S6-T10 PolarHBondContact O-N 3.31Å; S6-T10 PolarHBondContact O-OG1 3.12Å; S6-T10 VanDerWaalsContact O-OG1 3.07Å; Q7-T10 PolarHBondContact O-N 3.34Å; T10-R12 VanDerWaalsContact C-N 3.27Å; T10-R12 PolarHBondContact O-N 3.34Å; T10-T13 PolarHBondContact O-N 3.38Å; T10-T13 VanDerWaalsContact O-N 3.08Å; T10-T13 PolarHBondContact O-OG1 3.49Å; T10-H14 PolarHBondContact O-CD2 2.95Å; T10-H14 PolarHBondContact O-N 3.33Å
11	A	79.5	Confident	81.3	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-58.6	-40.2	178.4	0	0	0	0	0	112	Q7 T13 H14 I15 I38 D42 M46 L54	Q7-A11 WeakPolarHBondContact O-CB 3.44Å; Q7-A11 PolarHBondContact O-N 2.96Å; A11-T13 VanDerWaalsContact C-N 3.33Å; A11-T13 PolarHBondContact O-N 3.01Å; A11-H14 PolarHBondContact O-N 3.17Å; A11-I15 WeakPolarHBondContact O-CG1 3.42Å; A11-I15 PolarHBondContact O-N 3.24Å; A11-I15 VanDerWaalsContact O-N 3.1Å; A11-I38 HydrophobicContact CB-CG2 3.92Å; A11-D42 HydrophobicContact CB-CB 4.49Å; A11-M46 HydrophobicContact CB-CE 4.05Å; A11-L54 HydrophobicContact CB-CD2 3.78Å
12	R	81.9	Confident	82	Confident	110 Å²	110	72.8 Å²	72.8	42%	0.415	38%	0.381	S	S	.	.	H	α-helix	trans	-63.3	-35.8	177.3	-175	179.4	174.3	-173.8	-2.7	112.5	Q8 D9 T10 L54 Q57 K58	Q8-R12 WeakPolarHBondContact O-CB 3.42Å; Q8-R12 PolarHBondContact O-N 3.03Å; D9-R12 PolarHBondContact O-N 2.91Å; T10-R12 VanDerWaalsContact C-N 3.27Å; T10-R12 PolarHBondContact O-N 3.34Å; R12-L54 HydrophobicContact CB-CD1 3.77Å; R12-L54 HydrophobicContact CG-CD1 4.28Å; R12-Q57 VanDerWaalsContact CD-OE1 3.32Å; R12-Q57 VanDerWaalsContact CZ-CD 3.47Å; R12-K58 WeakPolarHBondContact O-CE 3.19Å; R12-K58 PolarHBondContact O-NZ 3Å
13	T	85.9	Confident	82	Confident	108 Å²	108	72.2 Å²	72.2	66%	0.663	38%	0.378	S	S	*	.	H	α-helix	trans	-73	-30.6	178	58.6	0	0	0	0	112.8	D9 T10 A11	D9-T13 WeakPolarHBondContact O-CG2 3.44Å; D9-T13 PolarHBondContact O-N 3.37Å; D9-T13 PolarHBondContact O-OG1 2.89Å; T10-T13 PolarHBondContact O-N 3.38Å; T10-T13 VanDerWaalsContact O-N 3.08Å; T10-T13 PolarHBondContact O-OG1 3.49Å; A11-T13 VanDerWaalsContact C-N 3.33Å; A11-T13 PolarHBondContact O-N 3.01Å
14	H	87.9	Confident	82	Confident	115 Å²	115	69.7 Å²	69.7	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-87.1	-22.8	-176.8	-67.5	-59.8	0	0	0	114.5	T10 A11 Y35 I38	T10-H14 PolarHBondContact O-CD2 2.95Å; T10-H14 PolarHBondContact O-N 3.33Å; A11-H14 PolarHBondContact O-N 3.17Å; H14-Y35 VanDerWaalsContact O-CE1 3.3Å; H14-Y35 WeakPolarHBondContact O-CE1 3.34Å; H14-I38 HydrophobicContact CB-CD1 3.62Å
15	I	92	Very high	82.2	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.015	36%	0.359	C	S	.	.	S	Bend	trans	-90.7	124	177.7	-60.6	167.1	0	0	0	110	A11 W31 Y35 I38 F39 L54 K58	A11-I15 WeakPolarHBondContact O-CG1 3.42Å; A11-I15 PolarHBondContact O-N 3.24Å; A11-I15 VanDerWaalsContact O-N 3.1Å; I15-W31 HydrophobicContact CG2-CH2 3.9Å; I15-W31 HydrophobicContact CG2-CZ2 3.38Å; I15-Y35 HydrophobicContact CG1-CD1 4.2Å; I15-Y35 HydrophobicContact CG1-CG 4.15Å; I15-Y35 HydrophobicContact CG2-CD2 4Å; I15-Y35 HydrophobicContact CG2-CE2 4.23Å; I15-Y35 HydrophobicContact CG2-CG 4.24Å; I15-I38 HydrophobicContact CD1-CG2 3.8Å; I15-I38 HydrophobicContact CG1-CD1 3.93Å; I15-I38 HydrophobicContact CG1-CG2 4.07Å; I15-F39 HydrophobicContact CD1-CE1 4Å; I15-F39 HydrophobicContact CD1-CE2 4.49Å; I15-F39 HydrophobicContact CD1-CZ 3.91Å; I15-L54 HydrophobicContact CD1-CD2 4.26Å; I15-K58 HydrophobicContact CB-CD 4.36Å; I15-K58 HydrophobicContact CB-CG 4.41Å; I15-K58 HydrophobicContact CG2-CB 4.35Å; I15-K58 HydrophobicContact CG2-CD 4Å; I15-K58 HydrophobicContact CG2-CG 3.79Å; I15-K58 WeakPolarHBondContact O-CE 3.33Å; I15-K58 PolarHBondContact O-NZ 3.44Å
16	T	92.9	Very high	82.8	Confident	71 Å²	71	67 Å²	67	44%	0.436	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-80.4	158.3	173.6	63.4	0	0	0	0	111.8	W31 Y35	T16-W31 VanDerWaalsContact O-CZ2 3.27Å; T16-W31 WeakPolarHBondContact O-CZ2 3.48Å; T16-W31 PolarHBondContact O-NE1 2.84Å; T16-Y35 WeakPolarHBondContact CB-OH 3.47Å; T16-Y35 VanDerWaalsContact CG2-OH 3.29Å; T16-Y35 WeakPolarHBondContact CG2-OH 3.41Å; T16-Y35 PolarHBondContact N-OH 3.22Å; T16-Y35 PolarHBondContact OG1-OH 2.99Å
17	E	94.9	Very high	83.6	Confident	124 Å²	124	64.4 Å²	64.4	58%	0.579	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-60.4	140.5	173.7	-169.1	174	-103.4	0	0	111.1	P60	E17-P60 HydrophobicContact CG-CB 4.49Å
18	F	94.6	Very high	84.7	Confident	3 Å²	3	61 Å²	61	1%	0.013	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-70.4	136.7	177.2	170.4	-119.6	0	0	0	111.1	Y20 F28 W31 K58 L59 P60 F92	F18-Y20 AromaticContact CZ-CD2 3.97Å; F18-Y20 HydrophobicContact CZ-CD2 3.97Å; F18-Y20 HydrophobicContact CZ-CG 4.24Å; F18-F28 HydrophobicContact CE2-CB 4.1Å; F18-F28 HydrophobicContact CZ-CB 4Å; F18-W31 HydrophobicContact CB-CD2 4.02Å; F18-W31 HydrophobicContact CB-CG 4.3Å; F18-W31 HydrophobicContact CB-CZ2 4.26Å; F18-W31 HydrophobicContact CD2-CB 3.71Å; F18-W31 HydrophobicContact CD2-CD2 4.03Å; F18-W31 HydrophobicContact CD2-CE3 4.48Å; F18-W31 AromaticContact CD2-CG 3.67Å; F18-W31 HydrophobicContact CD2-CG 3.67Å; F18-W31 HydrophobicContact CE2-CB 4.16Å; F18-W31 HydrophobicContact CG-CD2 4.41Å; F18-W31 HydrophobicContact CG-CG 4.44Å; F18-K58 WeakPolarHBondContact CB-O 3.36Å; F18-K58 PolarHBondContact N-O 3.21Å; F18-L59 HydrophobicContact CB-CD2 4.04Å; F18-L59 HydrophobicContact CD1-CD2 3.6Å; F18-L59 HydrophobicContact CE1-CD2 4.44Å; F18-L59 HydrophobicContact CG-CD2 4.1Å; F18-P60 WeakPolarHBondContact O-CD 3.28Å; F18-P60 WeakPolarHBondContact O-CG 3.47Å; F18-F92 HydrophobicContact CE1-CB 4.06Å; F18-F92 AromaticContact CE1-CD1 3.98Å; F18-F92 HydrophobicContact CE1-CD1 3.98Å; F18-F92 HydrophobicContact CE1-CD2 4.16Å; F18-F92 AromaticContact CE1-CG 3.79Å; F18-F92 HydrophobicContact CE1-CG 3.79Å; F18-F92 HydrophobicContact CZ-CB 3.84Å; F18-F92 HydrophobicContact CZ-CD1 4.41Å; F18-F92 HydrophobicContact CZ-CG 4.09Å
19	S	91.7	Very high	85.4	Confident	68 Å²	68	64 Å²	64	48%	0.476	33%	0.332	S	S	.	.			trans	-123.6	138.7	168.7	48.6	0	0	0	0	109.6
20	Y	89.2	Confident	85.9	Confident	76 Å²	76	62 Å²	62	30%	0.298	32%	0.324	S	S	.	.			trans	-107.7	114.6	-180	-175.1	-123.2	0	0	0	110.6	F18 L26 F92 A93	F18-Y20 AromaticContact CZ-CD2 3.97Å; F18-Y20 HydrophobicContact CZ-CD2 3.97Å; F18-Y20 HydrophobicContact CZ-CG 4.24Å; Y20-L26 WeakPolarHBondContact CD2-O 3.45Å; Y20-F92 HydrophobicContact CD1-CD1 4.22Å; Y20-F92 HydrophobicContact CD2-CB 4.03Å; Y20-F92 HydrophobicContact CD2-CD1 4.27Å; Y20-F92 HydrophobicContact CE2-CB 4.12Å; Y20-F92 WeakPolarHBondContact CE2-O 3.37Å; Y20-F92 HydrophobicContact CG-CD1 4.04Å; Y20-A93 PolarHBondContact OH-O 3.18Å
21	D	84.9	Confident	86.6	Confident	52 Å²	52	59.4 Å²	59.4	28%	0.278	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-148.2	99	175.1	-178.8	-19.5	0	0	0	108.9	E23 N24 G25 L26	D21-E23 VanDerWaalsContact C-N 3.29Å; D21-E23 PolarHBondContact O-N 3.44Å; D21-E23 WeakPolarHBondContact OD1-CB 3.31Å; D21-E23 PolarHBondContact OD1-N 3.33Å; D21-N24 HydrophobicContact CB-CB 4.47Å; D21-N24 PolarHBondContact OD1-N 3.06Å; D21-N24 PolarHBondContact OD2-ND2 2.94Å; D21-G25 PolarHBondContact O-N 3.44Å; D21-G25 VanDerWaalsContact O-N 3.13Å; D21-L26 CarbonylContact C-O 3.45Å; D21-L26 HydrophobicContact CB-CB 3.97Å; D21-L26 HydrophobicContact CB-CD1 4.04Å; D21-L26 HydrophobicContact CB-CG 4.24Å; D21-L26 PolarHBondContact N-O 3Å; D21-L26 CarbonylContact O-C 3.53Å; D21-L26 WeakPolarHBondContact O-CA 3.43Å; D21-L26 PolarHBondContact O-N 2.97Å
22	V	77.3	Confident	87.3	Confident	35 Å²	35	61.4 Å²	61.4	21%	0.212	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-28.9	-176.5	66.3	0	0	0	0	113.1	G25 R129	V22-G25 PolarHBondContact O-N 3.26Å; V22-R129 PolarHBondContact O-NH1 3.42Å; V22-R129 PolarHBondContact O-NH2 3.43Å
23	E	72.2	Confident	87.8	Confident	162 Å²	162	62.2 Å²	62.2	76%	0.757	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-47.5	-178.5	-61	-168.4	162.9	0	0	109.3	D21 G25 R129	D21-E23 VanDerWaalsContact C-N 3.29Å; D21-E23 PolarHBondContact O-N 3.44Å; D21-E23 WeakPolarHBondContact OD1-CB 3.31Å; D21-E23 PolarHBondContact OD1-N 3.33Å; E23-G25 PolarHBondContact O-N 2.97Å; E23-R129 PolarHBondContact O-NH1 3.46Å
24	N	73.3	Confident	88	Confident	88 Å²	88	64 Å²	64	47%	0.471	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	11.9	175.4	-65.2	-54.9	0	0	0	113.5	D21 L26 Q125	D21-N24 HydrophobicContact CB-CB 4.47Å; D21-N24 PolarHBondContact OD1-N 3.06Å; D21-N24 PolarHBondContact OD2-ND2 2.94Å; N24-L26 HydrophobicContact CB-CG 4.41Å; N24-L26 PolarHBondContact O-N 3.02Å; N24-L26 VanDerWaalsContact O-N 3.15Å; N24-Q125 VanDerWaalsContact C-NE2 3.29Å; N24-Q125 PolarHBondContact O-NE2 2.85Å
25	G	74.9	Confident	88.2	Confident	16 Å²	16	59.7 Å²	59.7	17%	0.165	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	14.2	175.3	0	0	0	0	0	114.9	D21 V22 E23 T27 S30	D21-G25 PolarHBondContact O-N 3.44Å; D21-G25 VanDerWaalsContact O-N 3.13Å; V22-G25 PolarHBondContact O-N 3.26Å; E23-G25 PolarHBondContact O-N 2.97Å; G25-T27 VanDerWaalsContact C-N 3.29Å; G25-T27 PolarHBondContact O-N 3.2Å; G25-S30 PolarHBondContact O-OG 3.38Å
26	L	85.5	Confident	88.2	Confident	55 Å²	55	63 Å²	63	29%	0.288	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-77.2	83	171.8	-54.1	-178.1	0	0	0	108.7	Y20 D21 N24	Y20-L26 WeakPolarHBondContact CD2-O 3.45Å; D21-L26 CarbonylContact C-O 3.45Å; D21-L26 HydrophobicContact CB-CB 3.97Å; D21-L26 HydrophobicContact CB-CD1 4.04Å; D21-L26 HydrophobicContact CB-CG 4.24Å; D21-L26 PolarHBondContact N-O 3Å; D21-L26 CarbonylContact O-C 3.53Å; D21-L26 WeakPolarHBondContact O-CA 3.43Å; D21-L26 PolarHBondContact O-N 2.97Å; N24-L26 HydrophobicContact CB-CG 4.41Å; N24-L26 PolarHBondContact O-N 3.02Å; N24-L26 VanDerWaalsContact O-N 3.15Å
27	T	91.3	Very high	88	Confident	12 Å²	12	64.6 Å²	64.6	7%	0.074	32%	0.317	C	S	.	.			trans	-105.1	161.8	175	56.4	0	0	0	0	109.8	G25 E29 S30 W31	G25-T27 VanDerWaalsContact C-N 3.29Å; G25-T27 PolarHBondContact O-N 3.2Å; T27-E29 VanDerWaalsContact C-N 3.25Å; T27-E29 PolarHBondContact O-N 2.89Å; T27-S30 PolarHBondContact N-OG 3.44Å; T27-S30 PolarHBondContact O-N 3.43Å; T27-S30 VanDerWaalsContact O-N 3.09Å; T27-S30 PolarHBondContact O-OG 3.31Å; T27-S30 WeakPolarHBondContact OG1-CB 3.29Å; T27-S30 PolarHBondContact OG1-N 2.94Å; T27-S30 PolarHBondContact OG1-OG 3.47Å; T27-W31 PolarHBondContact O-N 3.31Å
28	F	93.9	Very high	87.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-39	175.2	-179.9	-92.3	0	0	0	111.9	F18 S30 W31 F32 L55 L59 V85 V88 T89 F92	F18-F28 HydrophobicContact CE2-CB 4.1Å; F18-F28 HydrophobicContact CZ-CB 4Å; F28-S30 VanDerWaalsContact C-N 3.3Å; F28-S30 PolarHBondContact O-N 2.88Å; F28-W31 AromaticContact CD2-CE3 3.95Å; F28-W31 HydrophobicContact CD2-CE3 3.95Å; F28-W31 HydrophobicContact CD2-CZ3 4.25Å; F28-W31 AromaticContact CE2-CE3 3.77Å; F28-W31 HydrophobicContact CE2-CE3 3.77Å; F28-W31 AromaticContact CE2-CZ3 3.62Å; F28-W31 HydrophobicContact CE2-CZ3 3.62Å; F28-W31 HydrophobicContact CZ-CE3 4.48Å; F28-W31 HydrophobicContact CZ-CZ3 4.23Å; F28-W31 PolarHBondContact O-N 3.4Å; F28-F32 HydrophobicContact CD1-CB 4.31Å; F28-F32 HydrophobicContact CE1-CB 4.03Å; F28-F32 AromaticContact CE1-CD2 3.88Å; F28-F32 HydrophobicContact CE1-CD2 3.88Å; F28-F32 HydrophobicContact CE1-CG 4.17Å; F28-F32 HydrophobicContact CZ-CB 4.37Å; F28-F32 AromaticContact CZ-CD2 3.74Å; F28-F32 HydrophobicContact CZ-CD2 3.74Å; F28-F32 HydrophobicContact CZ-CG 4.41Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3.36Å; F28-L55 HydrophobicContact CE2-CD1 3.9Å; F28-L55 HydrophobicContact CZ-CD1 3.85Å; F28-L55 HydrophobicContact CZ-CD2 4.29Å; F28-L59 HydrophobicContact CD2-CD2 4.34Å; F28-L59 HydrophobicContact CE2-CD2 4.23Å; F28-V85 HydrophobicContact CE1-CG1 4.33Å; F28-V88 HydrophobicContact CD1-CG1 4.06Å; F28-V88 HydrophobicContact CD2-CG1 3.42Å; F28-V88 VanDerWaalsContact CD2-CG1 3.42Å; F28-V88 HydrophobicContact CE1-CB 4.32Å; F28-V88 HydrophobicContact CE1-CG1 3.99Å; F28-V88 HydrophobicContact CE2-CB 4.37Å; F28-V88 HydrophobicContact CE2-CG1 3.34Å; F28-V88 HydrophobicContact CG-CG1 3.77Å; F28-V88 HydrophobicContact CZ-CB 4.19Å; F28-V88 HydrophobicContact CZ-CG1 3.63Å; F28-T89 VanDerWaalsContact CD1-OG1 3.23Å; F28-T89 WeakPolarHBondContact CD1-OG1 3.3Å; F28-T89 WeakPolarHBondContact CE1-OG1 3.29Å; F28-F92 HydrophobicContact CB-CB 3.66Å; F28-F92 PolarHBondContact N-O 3.4Å; F28-F92 VanDerWaalsContact N-O 3.09Å
29	E	91.2	Very high	87.6	Confident	102 Å²	102	59.9 Å²	59.9	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-55.9	-44.9	174.1	-172.4	-174.9	178.5	0	0	111.6	T27 K33 T89 R131	T27-E29 VanDerWaalsContact C-N 3.25Å; T27-E29 PolarHBondContact O-N 2.89Å; E29-K33 WeakPolarHBondContact O-CB 3.19Å; E29-K33 PolarHBondContact O-N 3Å; E29-T89 HydrophobicContact CB-CG2 4.33Å; E29-R131 IonicContact OE1-NH2 2.62Å; E29-R131 IonicContact OE2-NH2 2.69Å
30	S	89.1	Confident	87.4	Confident	39 Å²	39	63 Å²	63	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-68.3	-36.6	179.6	74.1	0	0	0	0	113.4	G25 T27 F28 R34	G25-S30 PolarHBondContact O-OG 3.38Å; T27-S30 PolarHBondContact N-OG 3.44Å; T27-S30 PolarHBondContact O-N 3.43Å; T27-S30 VanDerWaalsContact O-N 3.09Å; T27-S30 PolarHBondContact O-OG 3.31Å; T27-S30 WeakPolarHBondContact OG1-CB 3.29Å; T27-S30 PolarHBondContact OG1-N 2.94Å; T27-S30 PolarHBondContact OG1-OG 3.47Å; F28-S30 VanDerWaalsContact C-N 3.3Å; F28-S30 PolarHBondContact O-N 2.88Å; S30-R34 PolarHBondContact O-N 2.84Å
31	W	94.2	Very high	87.3	Confident	9 Å²	9	64.2 Å²	64.2	3%	0.034	32%	0.316	C	S	.	.	H	α-helix	trans	-73.5	-46.2	178.1	173.1	91.2	0	0	0	110.9	I15 T16 F18 T27 F28 K33 R34 Y35 F39 L55 K58	I15-W31 HydrophobicContact CG2-CH2 3.9Å; I15-W31 HydrophobicContact CG2-CZ2 3.38Å; T16-W31 VanDerWaalsContact O-CZ2 3.27Å; T16-W31 WeakPolarHBondContact O-CZ2 3.48Å; T16-W31 PolarHBondContact O-NE1 2.84Å; F18-W31 HydrophobicContact CB-CD2 4.02Å; F18-W31 HydrophobicContact CB-CG 4.3Å; F18-W31 HydrophobicContact CB-CZ2 4.26Å; F18-W31 HydrophobicContact CD2-CB 3.71Å; F18-W31 HydrophobicContact CD2-CD2 4.03Å; F18-W31 HydrophobicContact CD2-CE3 4.48Å; F18-W31 AromaticContact CD2-CG 3.67Å; F18-W31 HydrophobicContact CD2-CG 3.67Å; F18-W31 HydrophobicContact CE2-CB 4.16Å; F18-W31 HydrophobicContact CG-CD2 4.41Å; F18-W31 HydrophobicContact CG-CG 4.44Å; T27-W31 PolarHBondContact O-N 3.31Å; F28-W31 AromaticContact CD2-CE3 3.95Å; F28-W31 HydrophobicContact CD2-CE3 3.95Å; F28-W31 HydrophobicContact CD2-CZ3 4.25Å; F28-W31 AromaticContact CE2-CE3 3.77Å; F28-W31 HydrophobicContact CE2-CE3 3.77Å; F28-W31 AromaticContact CE2-CZ3 3.62Å; F28-W31 HydrophobicContact CE2-CZ3 3.62Å; F28-W31 HydrophobicContact CZ-CE3 4.48Å; F28-W31 HydrophobicContact CZ-CZ3 4.23Å; F28-W31 PolarHBondContact O-N 3.4Å; W31-K33 VanDerWaalsContact C-N 3.29Å; W31-K33 PolarHBondContact O-N 3.49Å; W31-R34 VanDerWaalsContact O-CB 3.26Å; W31-R34 WeakPolarHBondContact O-CB 3.4Å; W31-R34 PolarHBondContact O-N 2.97Å; W31-Y35 AromaticContact CD1-CE2 3.93Å; W31-Y35 HydrophobicContact CD2-CD2 4.37Å; W31-Y35 HydrophobicContact CZ2-CD2 4.36Å; W31-Y35 AromaticContact NE1-CE2 3.58Å; W31-Y35 WeakPolarHBondContact O-CD2 3.45Å; W31-F39 HydrophobicContact CH2-CE2 4.24Å; W31-F39 AromaticContact CH2-CZ 3.83Å; W31-F39 HydrophobicContact CH2-CZ 3.83Å; W31-F39 HydrophobicContact CZ3-CE2 4.06Å; W31-F39 AromaticContact CZ3-CZ 3.94Å; W31-F39 HydrophobicContact CZ3-CZ 3.94Å; W31-L55 HydrophobicContact CH2-CD1 3.95Å; W31-L55 HydrophobicContact CZ3-CD1 3.72Å; W31-K58 HydrophobicContact CH2-CB 3.83Å; W31-K58 HydrophobicContact CZ2-CB 3.74Å; W31-K58 HydrophobicContact CZ2-CG 4.44Å
32	F	94.4	Very high	87.4	Confident	41 Å²	41	64.2 Å²	64.2	18%	0.18	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-42.3	177.2	-169.5	-89.6	0	0	0	110.9	F28 R34 Y35 E36 F39 F81 V85	F28-F32 HydrophobicContact CD1-CB 4.31Å; F28-F32 HydrophobicContact CE1-CB 4.03Å; F28-F32 AromaticContact CE1-CD2 3.88Å; F28-F32 HydrophobicContact CE1-CD2 3.88Å; F28-F32 HydrophobicContact CE1-CG 4.17Å; F28-F32 HydrophobicContact CZ-CB 4.37Å; F28-F32 AromaticContact CZ-CD2 3.74Å; F28-F32 HydrophobicContact CZ-CD2 3.74Å; F28-F32 HydrophobicContact CZ-CG 4.41Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3.36Å; F32-R34 VanDerWaalsContact C-N 3.26Å; F32-R34 PolarHBondContact O-N 3.36Å; F32-Y35 CarbonylContact O-C 3.54Å; F32-Y35 PolarHBondContact O-N 3.01Å; F32-Y35 VanDerWaalsContact O-N 3.15Å; F32-E36 PolarHBondContact O-N 2.89Å; F32-E36 VanDerWaalsContact O-N 3.08Å; F32-F39 HydrophobicContact CD1-CD2 4.49Å; F32-F39 AromaticContact CD2-CD2 3.75Å; F32-F39 HydrophobicContact CD2-CD2 3.75Å; F32-F39 AromaticContact CD2-CE2 3.63Å; F32-F39 HydrophobicContact CD2-CE2 3.63Å; F32-F39 HydrophobicContact CD2-CG 4.4Å; F32-F39 HydrophobicContact CD2-CZ 4.18Å; F32-F39 HydrophobicContact CE1-CB 4.49Å; F32-F39 HydrophobicContact CE1-CD2 4.32Å; F32-F39 HydrophobicContact CE2-CB 4.34Å; F32-F39 HydrophobicContact CE2-CD1 4.1Å; F32-F39 AromaticContact CE2-CD2 3.55Å; F32-F39 HydrophobicContact CE2-CD2 3.55Å; F32-F39 HydrophobicContact CE2-CE1 4.29Å; F32-F39 AromaticContact CE2-CE2 3.77Å; F32-F39 HydrophobicContact CE2-CE2 3.77Å; F32-F39 AromaticContact CE2-CG 3.74Å; F32-F39 HydrophobicContact CE2-CG 3.74Å; F32-F39 HydrophobicContact CE2-CZ 4.14Å; F32-F39 HydrophobicContact CG-CD2 4.22Å; F32-F39 HydrophobicContact CG-CE2 4.28Å; F32-F39 HydrophobicContact CZ-CB 3.93Å; F32-F39 HydrophobicContact CZ-CD1 4.49Å; F32-F39 AromaticContact CZ-CD2 3.86Å; F32-F39 HydrophobicContact CZ-CD2 3.86Å; F32-F39 AromaticContact CZ-CG 3.85Å; F32-F39 HydrophobicContact CZ-CG 3.85Å; F32-F81 HydrophobicContact CE2-CE1 4.35Å; F32-F81 AromaticContact CE2-CZ 3.91Å; F32-F81 HydrophobicContact CE2-CZ 3.91Å; F32-F81 HydrophobicContact CZ-CE1 4.17Å; F32-F81 HydrophobicContact CZ-CZ 4.14Å; F32-V85 HydrophobicContact CE2-CG1 4.3Å; F32-V85 HydrophobicContact CE2-CG2 3.73Å; F32-V85 HydrophobicContact CZ-CG1 4.28Å; F32-V85 HydrophobicContact CZ-CG2 4.03Å
33	K	91.8	Very high	87.8	Confident	128 Å²	128	62.8 Å²	62.8	56%	0.557	31%	0.307	S	S	*	.	H	α-helix	trans	-62.3	-30.2	175.7	-174.6	166.9	-173.9	164.5	0	113.6	E29 W31 Y35 E36	E29-K33 WeakPolarHBondContact O-CB 3.19Å; E29-K33 PolarHBondContact O-N 3Å; W31-K33 VanDerWaalsContact C-N 3.29Å; W31-K33 PolarHBondContact O-N 3.49Å; K33-Y35 PolarHBondContact O-N 3.21Å; K33-E36 WeakPolarHBondContact O-CB 3.35Å; K33-E36 PolarHBondContact O-N 3.44Å
34	R	90.5	Very high	88.4	Confident	145 Å²	145	58.5 Å²	58.5	55%	0.547	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-30.6	177.2	-174.2	-176.2	-63.2	170.8	0.2	112.1	S30 W31 F32	S30-R34 PolarHBondContact O-N 2.84Å; W31-R34 VanDerWaalsContact O-CB 3.26Å; W31-R34 WeakPolarHBondContact O-CB 3.4Å; W31-R34 PolarHBondContact O-N 2.97Å; F32-R34 VanDerWaalsContact C-N 3.26Å; F32-R34 PolarHBondContact O-N 3.36Å
35	Y	93.1	Very high	89	Confident	25 Å²	25	57.6 Å²	57.6	10%	0.098	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	22.5	-177.8	-57.3	-66.6	0	0	0	111.7	H14 I15 T16 W31 F32 K33 D37 I38 F39	H14-Y35 VanDerWaalsContact O-CE1 3.3Å; H14-Y35 WeakPolarHBondContact O-CE1 3.34Å; I15-Y35 HydrophobicContact CG1-CD1 4.2Å; I15-Y35 HydrophobicContact CG1-CG 4.15Å; I15-Y35 HydrophobicContact CG2-CD2 4Å; I15-Y35 HydrophobicContact CG2-CE2 4.23Å; I15-Y35 HydrophobicContact CG2-CG 4.24Å; T16-Y35 WeakPolarHBondContact CB-OH 3.47Å; T16-Y35 VanDerWaalsContact CG2-OH 3.29Å; T16-Y35 WeakPolarHBondContact CG2-OH 3.41Å; T16-Y35 PolarHBondContact N-OH 3.22Å; T16-Y35 PolarHBondContact OG1-OH 2.99Å; W31-Y35 AromaticContact CD1-CE2 3.93Å; W31-Y35 HydrophobicContact CD2-CD2 4.37Å; W31-Y35 HydrophobicContact CZ2-CD2 4.36Å; W31-Y35 AromaticContact NE1-CE2 3.58Å; W31-Y35 WeakPolarHBondContact O-CD2 3.45Å; F32-Y35 CarbonylContact O-C 3.54Å; F32-Y35 PolarHBondContact O-N 3.01Å; F32-Y35 VanDerWaalsContact O-N 3.15Å; K33-Y35 PolarHBondContact O-N 3.21Å; Y35-D37 PolarHBondContact O-N 3.18Å; Y35-I38 HydrophobicContact CD1-CD1 3.92Å; Y35-I38 PolarHBondContact O-N 3.24Å; Y35-F39 WeakPolarHBondContact O-CD2 3.39Å; Y35-F39 PolarHBondContact O-N 3.49Å
36	E	90.8	Very high	89.7	Confident	73 Å²	73	57.6 Å²	57.6	34%	0.341	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-35.3	-174	-177.1	175.3	-166	0	0	111.9	F32 K33 K40	F32-E36 PolarHBondContact O-N 2.89Å; F32-E36 VanDerWaalsContact O-N 3.08Å; K33-E36 WeakPolarHBondContact O-CB 3.35Å; K33-E36 PolarHBondContact O-N 3.44Å; E36-K40 HydrophobicContact CG-CD 3.96Å; E36-K40 HydrophobicContact CG-CG 4.4Å; E36-K40 VanDerWaalsContact O-CB 3.24Å; E36-K40 WeakPolarHBondContact O-CB 3.36Å; E36-K40 VanDerWaalsContact O-CG 3.22Å; E36-K40 WeakPolarHBondContact O-CG 3.4Å; E36-K40 PolarHBondContact O-N 3.5Å; E36-K40 WeakPolarHBondContact OE1-CE 3.43Å; E36-K40 IonicContact OE1-NZ 3.99Å; E36-K40 PolarHBondContact OE1-NZ 3.31Å
37	D	89.4	Confident	90	Very high	103 Å²	103	57.9 Å²	57.9	55%	0.551	30%	0.301	S	S	*	.	H	α-helix	trans	-63.6	-50.2	174.9	58	-20.6	0	0	0	112.1	Y35 F39 K40 V41	Y35-D37 PolarHBondContact O-N 3.18Å; D37-F39 VanDerWaalsContact C-N 3.31Å; D37-F39 PolarHBondContact O-N 3.04Å; D37-K40 PolarHBondContact O-N 3.16Å; D37-V41 WeakPolarHBondContact O-CB 3.32Å; D37-V41 WeakPolarHBondContact O-CG2 3.4Å; D37-V41 PolarHBondContact O-N 3.15Å
38	I	90.4	Very high	89.9	Confident	19 Å²	19	61.2 Å²	61.2	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-43.8	177.3	-57.9	175.4	0	0	0	109.9	A11 H14 I15 Y35 K40 D42 V43	A11-I38 HydrophobicContact CB-CG2 3.92Å; H14-I38 HydrophobicContact CB-CD1 3.62Å; I15-I38 HydrophobicContact CD1-CG2 3.8Å; I15-I38 HydrophobicContact CG1-CD1 3.93Å; I15-I38 HydrophobicContact CG1-CG2 4.07Å; Y35-I38 HydrophobicContact CD1-CD1 3.92Å; Y35-I38 PolarHBondContact O-N 3.24Å; I38-K40 PolarHBondContact O-N 3.31Å; I38-D42 HydrophobicContact CG2-CB 4.24Å; I38-D42 WeakPolarHBondContact O-CB 3.35Å; I38-D42 PolarHBondContact O-N 3.15Å; I38-V43 HydrophobicContact CG2-CG2 4.46Å; I38-V43 PolarHBondContact O-N 3.06Å
39	F	90.7	Very high	89.8	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.039	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-36.1	178.4	-73.1	-59.2	0	0	0	113	I15 W31 F32 Y35 D37 V43 A44 L55 F81	I15-F39 HydrophobicContact CD1-CE1 4Å; I15-F39 HydrophobicContact CD1-CE2 4.49Å; I15-F39 HydrophobicContact CD1-CZ 3.91Å; W31-F39 HydrophobicContact CH2-CE2 4.24Å; W31-F39 AromaticContact CH2-CZ 3.83Å; W31-F39 HydrophobicContact CH2-CZ 3.83Å; W31-F39 HydrophobicContact CZ3-CE2 4.06Å; W31-F39 AromaticContact CZ3-CZ 3.94Å; W31-F39 HydrophobicContact CZ3-CZ 3.94Å; F32-F39 HydrophobicContact CD1-CD2 4.49Å; F32-F39 AromaticContact CD2-CD2 3.75Å; F32-F39 HydrophobicContact CD2-CD2 3.75Å; F32-F39 AromaticContact CD2-CE2 3.63Å; F32-F39 HydrophobicContact CD2-CE2 3.63Å; F32-F39 HydrophobicContact CD2-CG 4.4Å; F32-F39 HydrophobicContact CD2-CZ 4.18Å; F32-F39 HydrophobicContact CE1-CB 4.49Å; F32-F39 HydrophobicContact CE1-CD2 4.32Å; F32-F39 HydrophobicContact CE2-CB 4.34Å; F32-F39 HydrophobicContact CE2-CD1 4.1Å; F32-F39 AromaticContact CE2-CD2 3.55Å; F32-F39 HydrophobicContact CE2-CD2 3.55Å; F32-F39 HydrophobicContact CE2-CE1 4.29Å; F32-F39 AromaticContact CE2-CE2 3.77Å; F32-F39 HydrophobicContact CE2-CE2 3.77Å; F32-F39 AromaticContact CE2-CG 3.74Å; F32-F39 HydrophobicContact CE2-CG 3.74Å; F32-F39 HydrophobicContact CE2-CZ 4.14Å; F32-F39 HydrophobicContact CG-CD2 4.22Å; F32-F39 HydrophobicContact CG-CE2 4.28Å; F32-F39 HydrophobicContact CZ-CB 3.93Å; F32-F39 HydrophobicContact CZ-CD1 4.49Å; F32-F39 AromaticContact CZ-CD2 3.86Å; F32-F39 HydrophobicContact CZ-CD2 3.86Å; F32-F39 AromaticContact CZ-CG 3.85Å; F32-F39 HydrophobicContact CZ-CG 3.85Å; Y35-F39 WeakPolarHBondContact O-CD2 3.39Å; Y35-F39 PolarHBondContact O-N 3.49Å; D37-F39 VanDerWaalsContact C-N 3.31Å; D37-F39 PolarHBondContact O-N 3.04Å; F39-V43 HydrophobicContact CD1-CB 4.16Å; F39-V43 HydrophobicContact CD1-CG1 4.34Å; F39-V43 HydrophobicContact CD1-CG2 3.8Å; F39-V43 HydrophobicContact CE1-CG2 4.36Å; F39-A44 PolarHBondContact O-N 3.19Å; F39-L55 HydrophobicContact CE1-CD1 4.24Å; F39-L55 HydrophobicContact CZ-CD1 3.99Å; F39-F81 HydrophobicContact CD1-CE1 4.5Å; F39-F81 HydrophobicContact CD1-CE2 4.1Å; F39-F81 AromaticContact CD1-CZ 3.5Å; F39-F81 HydrophobicContact CD1-CZ 3.5Å; F39-F81 VanDerWaalsContact CD1-CZ 3.5Å; F39-F81 HydrophobicContact CE1-CE2 4.21Å; F39-F81 AromaticContact CE1-CZ 3.97Å; F39-F81 HydrophobicContact CE1-CZ 3.97Å; F39-F81 HydrophobicContact CG-CZ 4.21Å
40	K	87.4	Confident	89.8	Confident	135 Å²	135	60.2 Å²	60.2	59%	0.587	32%	0.317	S	S	*	.	H	α-helix	trans	-82.2	-25.2	-179.4	-77	-177.8	-177	175.4	0	114.6	E36 D37 I38 A44	E36-K40 HydrophobicContact CG-CD 3.96Å; E36-K40 HydrophobicContact CG-CG 4.4Å; E36-K40 VanDerWaalsContact O-CB 3.24Å; E36-K40 WeakPolarHBondContact O-CB 3.36Å; E36-K40 VanDerWaalsContact O-CG 3.22Å; E36-K40 WeakPolarHBondContact O-CG 3.4Å; E36-K40 PolarHBondContact O-N 3.5Å; E36-K40 WeakPolarHBondContact OE1-CE 3.43Å; E36-K40 IonicContact OE1-NZ 3.99Å; E36-K40 PolarHBondContact OE1-NZ 3.31Å; D37-K40 PolarHBondContact O-N 3.16Å; I38-K40 PolarHBondContact O-N 3.31Å; K40-A44 WeakPolarHBondContact O-CB 3.48Å
41	V	86.1	Confident	90	Very high	100 Å²	100	58.5 Å²	58.5	61%	0.606	31%	0.305	S	S	*	.	H	α-helix	trans	-104.2	-64.4	-176.1	179.9	0	0	0	0	109.9	D37	D37-V41 WeakPolarHBondContact O-CB 3.32Å; D37-V41 WeakPolarHBondContact O-CG2 3.4Å; D37-V41 PolarHBondContact O-N 3.15Å
42	D	87	Confident	90	Very high	52 Å²	52	58.2 Å²	58.2	28%	0.278	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-53.5	-172.1	-57.7	-34.8	0	0	0	110.6	A11 I38 A44 S45 M46	A11-D42 HydrophobicContact CB-CB 4.49Å; I38-D42 HydrophobicContact CG2-CB 4.24Å; I38-D42 WeakPolarHBondContact O-CB 3.35Å; I38-D42 PolarHBondContact O-N 3.15Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 3.45Å; D42-S45 PolarHBondContact O-N 3.21Å; D42-S45 PolarHBondContact O-OG 3.1Å; D42-M46 HydrophobicContact CB-CE 4.48Å
43	V	86.5	Confident	89.9	Confident	6 Å²	6	62 Å²	62	4%	0.036	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-70.6	-31.7	-175.9	-175.2	0	0	0	0	111.8	I38 F39 S45 M46 L54 F81	I38-V43 HydrophobicContact CG2-CG2 4.46Å; I38-V43 PolarHBondContact O-N 3.06Å; F39-V43 HydrophobicContact CD1-CB 4.16Å; F39-V43 HydrophobicContact CD1-CG1 4.34Å; F39-V43 HydrophobicContact CD1-CG2 3.8Å; F39-V43 HydrophobicContact CE1-CG2 4.36Å; V43-S45 PolarHBondContact O-N 3.37Å; V43-M46 HydrophobicContact CG2-SD 4.49Å; V43-M46 WeakPolarHBondContact O-CB 3.31Å; V43-M46 PolarHBondContact O-N 3.22Å; V43-L54 HydrophobicContact CG2-CD2 3.62Å; V43-F81 HydrophobicContact CG1-CD2 4.29Å; V43-F81 HydrophobicContact CG1-CE2 3.96Å; V43-F81 HydrophobicContact CG1-CZ 4.2Å
44	A	85.5	Confident	89.9	Confident	72 Å²	72	55.9 Å²	55.9	60%	0.595	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.7	176.2	0	0	0	0	0	113.4	F39 K40 D42	F39-A44 PolarHBondContact O-N 3.19Å; K40-A44 WeakPolarHBondContact O-CB 3.48Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 3.45Å
45	S	86.4	Confident	90.1	Very high	69 Å²	69	49 Å²	49	48%	0.483	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-84.5	-10.5	174.3	75.4	0	0	0	0	113.7	Q7 D42 V43	Q7-S45 PolarHBondContact NE2-OG 3.48Å; D42-S45 PolarHBondContact O-N 3.21Å; D42-S45 PolarHBondContact O-OG 3.1Å; V43-S45 PolarHBondContact O-N 3.37Å
46	M	88.7	Confident	90.1	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.079	26%	0.264	C	S	.	.	S	Bend	trans	-86.8	154.4	-179.4	-58.3	178.5	-171.9	0	0	111.3	Q7 Q8 A11 D42 V43 A50	Q7-M46 HydrophobicContact CB-CE 3.9Å; Q7-M46 WeakPolarHBondContact O-CE 3.38Å; Q8-M46 HydrophobicContact CB-CE 4.38Å; Q8-M46 HydrophobicContact CB-SD 4.47Å; A11-M46 HydrophobicContact CB-CE 4.05Å; D42-M46 HydrophobicContact CB-CE 4.48Å; V43-M46 HydrophobicContact CG2-SD 4.49Å; V43-M46 WeakPolarHBondContact O-CB 3.31Å; V43-M46 PolarHBondContact O-N 3.22Å; M46-A50 HydrophobicContact CB-CB 4.32Å
47	P	90.9	Very high	90.2	Very high	60 Å²	60	49 Å²	49	39%	0.39	27%	0.266	S	S	.	.			trans	-55.7	144.2	164	-25.7	37.3	0	0	0	111.7	L4 D49 A50 G51	L4-P47 VanDerWaalsContact CD1-CD 3.42Å; L4-P47 HydrophobicContact CD1-CG 4.11Å; P47-D49 VanDerWaalsContact C-N 3.26Å; P47-D49 WeakPolarHBondContact CB-OD1 3.39Å; P47-D49 PolarHBondContact O-N 3.11Å; P47-A50 WeakPolarHBondContact O-CB 3.4Å; P47-A50 PolarHBondContact O-N 2.89Å; P47-G51 PolarHBondContact O-N 2.93Å
48	D	91	Very high	90.5	Very high	83 Å²	83	45.4 Å²	45.4	44%	0.444	25%	0.245	S	C	.	.	H	α-helix	trans	-52.8	-42.4	-176.8	-96.9	-29.5	0	0	0	112.7	A50 G51 V52 T80 F81	D48-A50 VanDerWaalsContact C-N 3.31Å; D48-A50 PolarHBondContact O-N 3.37Å; D48-G51 PolarHBondContact O-N 3.41Å; D48-V52 WeakPolarHBondContact O-CB 3.32Å; D48-V52 VanDerWaalsContact O-CG2 3.24Å; D48-V52 WeakPolarHBondContact O-CG2 3.48Å; D48-V52 PolarHBondContact O-N 2.97Å; D48-T80 WeakPolarHBondContact OD2-CB 3.25Å; D48-T80 VanDerWaalsContact OD2-CG2 3.31Å; D48-T80 WeakPolarHBondContact OD2-CG2 3.48Å; D48-F81 WeakPolarHBondContact OD1-CB 3.41Å; D48-F81 PolarHBondContact OD1-N 3.12Å
49	D	91	Very high	90.6	Very high	81 Å²	81	44.9 Å²	44.9	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-35	180	69.9	-51.7	0	0	0	112.3	P47 R53	P47-D49 VanDerWaalsContact C-N 3.26Å; P47-D49 WeakPolarHBondContact CB-OD1 3.39Å; P47-D49 PolarHBondContact O-N 3.11Å; D49-R53 WeakPolarHBondContact O-CB 3.37Å; D49-R53 VanDerWaalsContact O-CG 3.29Å; D49-R53 WeakPolarHBondContact O-CG 3.34Å; D49-R53 PolarHBondContact O-N 2.92Å; D49-R53 PolarHBondContact O-NH1 3.46Å; D49-R53 IonicContact OD2-CZ 3.79Å; D49-R53 VanDerWaalsContact OD2-CZ 3.23Å; D49-R53 IonicContact OD2-NH1 3.74Å; D49-R53 PolarHBondContact OD2-NH1 3.15Å; D49-R53 IonicContact OD2-NH2 2.85Å; D49-R53 PolarHBondContact OD2-NH2 2.98Å
50	A	91.5	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-70.2	-42.7	174.2	0	0	0	0	0	111.4	M46 P47 D48 R53 L54	M46-A50 HydrophobicContact CB-CB 4.32Å; P47-A50 WeakPolarHBondContact O-CB 3.4Å; P47-A50 PolarHBondContact O-N 2.89Å; D48-A50 VanDerWaalsContact C-N 3.31Å; D48-A50 PolarHBondContact O-N 3.37Å; A50-R53 PolarHBondContact O-N 3.38Å; A50-L54 WeakPolarHBondContact O-CB 3.46Å; A50-L54 PolarHBondContact O-N 3.3Å
51	G	93.1	Very high	91.1	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-43.6	175	0	0	0	0	0	112.5	P47 D48 L54 L55	P47-G51 PolarHBondContact O-N 2.93Å; D48-G51 PolarHBondContact O-N 3.41Å; G51-L54 PolarHBondContact O-N 3.35Å; G51-L55 WeakPolarHBondContact O-CB 3.41Å; G51-L55 PolarHBondContact O-N 2.72Å
52	V	93.7	Very high	91.3	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-62.6	-48	175.8	171.6	0	0	0	0	110.6	D48 L54 L55 L56 F79 F81	D48-V52 WeakPolarHBondContact O-CB 3.32Å; D48-V52 VanDerWaalsContact O-CG2 3.24Å; D48-V52 WeakPolarHBondContact O-CG2 3.48Å; D48-V52 PolarHBondContact O-N 2.97Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 2.72Å; V52-L55 PolarHBondContact O-N 3.29Å; V52-L56 HydrophobicContact CG1-CD1 3.7Å; V52-L56 HydrophobicContact CG1-CG 4.14Å; V52-L56 WeakPolarHBondContact O-CB 3.31Å; V52-L56 VanDerWaalsContact O-CG 3.25Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 2.83Å; V52-F79 WeakPolarHBondContact CG2-O 3.47Å; V52-F81 HydrophobicContact CG2-CB 4.25Å
53	R	92.2	Very high	91.6	Very high	121 Å²	121	39.5 Å²	39.5	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-45.1	176.3	-78.8	-171.7	-61.5	-88.4	2.5	112.2	D49 A50 L56 Q57	D49-R53 WeakPolarHBondContact O-CB 3.37Å; D49-R53 VanDerWaalsContact O-CG 3.29Å; D49-R53 WeakPolarHBondContact O-CG 3.34Å; D49-R53 PolarHBondContact O-N 2.92Å; D49-R53 PolarHBondContact O-NH1 3.46Å; D49-R53 IonicContact OD2-CZ 3.79Å; D49-R53 VanDerWaalsContact OD2-CZ 3.23Å; D49-R53 IonicContact OD2-NH1 3.74Å; D49-R53 PolarHBondContact OD2-NH1 3.15Å; D49-R53 IonicContact OD2-NH2 2.85Å; D49-R53 PolarHBondContact OD2-NH2 2.98Å; A50-R53 PolarHBondContact O-N 3.38Å; R53-L56 PolarHBondContact O-N 2.97Å; R53-Q57 VanDerWaalsContact O-CB 3.22Å; R53-Q57 WeakPolarHBondContact O-CB 3.2Å; R53-Q57 PolarHBondContact O-N 2.83Å
54	L	92.5	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.5	-46.6	177.9	175.8	65.4	0	0	0	111.1	A11 R12 I15 V43 A50 G51 V52 Q57 K58	A11-L54 HydrophobicContact CB-CD2 3.78Å; R12-L54 HydrophobicContact CB-CD1 3.77Å; R12-L54 HydrophobicContact CG-CD1 4.28Å; I15-L54 HydrophobicContact CD1-CD2 4.26Å; V43-L54 HydrophobicContact CG2-CD2 3.62Å; A50-L54 WeakPolarHBondContact O-CB 3.46Å; A50-L54 PolarHBondContact O-N 3.3Å; G51-L54 PolarHBondContact O-N 3.35Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 2.72Å; L54-Q57 PolarHBondContact O-N 3.4Å; L54-K58 WeakPolarHBondContact O-CG 3.49Å; L54-K58 PolarHBondContact O-N 2.86Å
55	L	93.8	Very high	92.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-49.7	178.8	-179.8	62.3	0	0	0	111.9	F28 W31 F39 G51 V52 Q57 K58 L59 F81 T84 V85	F28-L55 HydrophobicContact CE2-CD1 3.9Å; F28-L55 HydrophobicContact CZ-CD1 3.85Å; F28-L55 HydrophobicContact CZ-CD2 4.29Å; W31-L55 HydrophobicContact CH2-CD1 3.95Å; W31-L55 HydrophobicContact CZ3-CD1 3.72Å; F39-L55 HydrophobicContact CE1-CD1 4.24Å; F39-L55 HydrophobicContact CZ-CD1 3.99Å; G51-L55 WeakPolarHBondContact O-CB 3.41Å; G51-L55 PolarHBondContact O-N 2.72Å; V52-L55 PolarHBondContact O-N 3.29Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.33Å; L55-K58 PolarHBondContact O-N 3.26Å; L55-L59 PolarHBondContact O-N 3.45Å; L55-F81 HydrophobicContact CB-CE2 4.08Å; L55-F81 HydrophobicContact CD2-CE2 4.08Å; L55-T84 HydrophobicContact CD2-CG2 3.82Å; L55-V85 HydrophobicContact CD2-CG2 4Å
56	L	93.1	Very high	92.5	Very high	19 Å²	19	43 Å²	43	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-34	-178.8	-67.8	-177.7	0	0	0	112.4	V52 R53 K58 L59 Y67 P76 T84	V52-L56 HydrophobicContact CG1-CD1 3.7Å; V52-L56 HydrophobicContact CG1-CG 4.14Å; V52-L56 WeakPolarHBondContact O-CB 3.31Å; V52-L56 VanDerWaalsContact O-CG 3.25Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 2.83Å; R53-L56 PolarHBondContact O-N 2.97Å; L56-K58 PolarHBondContact O-N 3.34Å; L56-L59 HydrophobicContact CD2-CD1 3.9Å; L56-L59 WeakPolarHBondContact O-CB 3.45Å; L56-L59 PolarHBondContact O-N 2.82Å; L56-L59 VanDerWaalsContact O-N 3.12Å; L56-Y67 HydrophobicContact CD1-CE1 4.49Å; L56-Y67 HydrophobicContact CD2-CD1 3.57Å; L56-Y67 HydrophobicContact CD2-CE1 3.59Å; L56-P76 HydrophobicContact CD1-CB 3.62Å; L56-T84 HydrophobicContact CD2-CG2 4.29Å
57	Q	93.5	Very high	92.6	Very high	79 Å²	79	42.2 Å²	42.2	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-22	173.7	179.6	169.4	52.8	0	0	113.2	R12 R53 L54 L55	R12-Q57 VanDerWaalsContact CD-OE1 3.32Å; R12-Q57 VanDerWaalsContact CZ-CD 3.47Å; R53-Q57 VanDerWaalsContact O-CB 3.22Å; R53-Q57 WeakPolarHBondContact O-CB 3.2Å; R53-Q57 PolarHBondContact O-N 2.83Å; L54-Q57 PolarHBondContact O-N 3.4Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.33Å
58	K	94.7	Very high	92.7	Very high	28 Å²	28	40.5 Å²	40.5	12%	0.122	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2	175.5	-62.5	-64.9	176.2	176.7	0	113.1	R12 I15 F18 W31 L54 L55 L56	R12-K58 WeakPolarHBondContact O-CE 3.19Å; R12-K58 PolarHBondContact O-NZ 3Å; I15-K58 HydrophobicContact CB-CD 4.36Å; I15-K58 HydrophobicContact CB-CG 4.41Å; I15-K58 HydrophobicContact CG2-CB 4.35Å; I15-K58 HydrophobicContact CG2-CD 4Å; I15-K58 HydrophobicContact CG2-CG 3.79Å; I15-K58 WeakPolarHBondContact O-CE 3.33Å; I15-K58 PolarHBondContact O-NZ 3.44Å; F18-K58 WeakPolarHBondContact CB-O 3.36Å; F18-K58 PolarHBondContact N-O 3.21Å; W31-K58 HydrophobicContact CH2-CB 3.83Å; W31-K58 HydrophobicContact CZ2-CB 3.74Å; W31-K58 HydrophobicContact CZ2-CG 4.44Å; L54-K58 WeakPolarHBondContact O-CG 3.49Å; L54-K58 PolarHBondContact O-N 2.86Å; L55-K58 PolarHBondContact O-N 3.26Å; L56-K58 PolarHBondContact O-N 3.34Å
59	L	94.2	Very high	92.8	Very high	8 Å²	8	43 Å²	43	4%	0.042	24%	0.235	C	C	.	.	S	Bend	trans	-87.2	132.2	167.8	-58.1	-178.6	0	0	0	109.1	F18 F28 L55 L56 H64 V88	F18-L59 HydrophobicContact CB-CD2 4.04Å; F18-L59 HydrophobicContact CD1-CD2 3.6Å; F18-L59 HydrophobicContact CE1-CD2 4.44Å; F18-L59 HydrophobicContact CG-CD2 4.1Å; F28-L59 HydrophobicContact CD2-CD2 4.34Å; F28-L59 HydrophobicContact CE2-CD2 4.23Å; L55-L59 PolarHBondContact O-N 3.45Å; L56-L59 HydrophobicContact CD2-CD1 3.9Å; L56-L59 WeakPolarHBondContact O-CB 3.45Å; L56-L59 PolarHBondContact O-N 2.82Å; L56-L59 VanDerWaalsContact O-N 3.12Å; L59-H64 HydrophobicContact CB-CB 4.27Å; L59-V88 HydrophobicContact CD1-CG1 4.28Å; L59-V88 HydrophobicContact CD2-CG1 4.35Å
60	P	94.1	Very high	92.9	Very high	31 Å²	31	45.5 Å²	45.5	20%	0.201	24%	0.239	C	C	.	.			trans	-63.3	154.4	171.9	27.2	-33.6	0	0	0	109.2	E17 F18 A62 S63 H64	E17-P60 HydrophobicContact CG-CB 4.49Å; F18-P60 WeakPolarHBondContact O-CD 3.28Å; F18-P60 WeakPolarHBondContact O-CG 3.47Å; P60-A62 VanDerWaalsContact C-N 3.26Å; P60-A62 PolarHBondContact O-N 2.67Å; P60-A62 VanDerWaalsContact O-N 3.07Å; P60-S63 WeakPolarHBondContact O-CA 3.29Å; P60-S63 WeakPolarHBondContact O-CB 3.45Å; P60-S63 PolarHBondContact O-N 2.87Å; P60-H64 PolarHBondContact O-N 3.23Å
61	A	93.3	Very high	92.9	Very high	76 Å²	76	46.1 Å²	46.1	63%	0.628	24%	0.243	S	C	*	.	H	α-helix	trans	-48.6	-44.7	-171.7	0	0	0	0	0	113.5	S63 H64 D65	A61-S63 PolarHBondContact O-N 3.23Å; A61-H64 PolarHBondContact O-N 2.94Å; A61-D65 WeakPolarHBondContact O-CB 3.4Å; A61-D65 VanDerWaalsContact O-CG 3.3Å; A61-D65 PolarHBondContact O-N 2.99Å
62	A	91.6	Very high	92.9	Very high	66 Å²	66	51.6 Å²	51.6	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-40	178.3	0	0	0	0	0	113.4	P60 N66	P60-A62 VanDerWaalsContact C-N 3.26Å; P60-A62 PolarHBondContact O-N 2.67Å; P60-A62 VanDerWaalsContact O-N 3.07Å; A62-N66 WeakPolarHBondContact O-CB 3.47Å; A62-N66 PolarHBondContact O-N 3.25Å; A62-N66 PolarHBondContact O-ND2 3.4Å
63	S	91.9	Very high	92.9	Very high	10 Å²	10	57.7 Å²	57.7	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-71.4	-40	177.3	-65.2	0	0	0	0	111.4	P60 A61 D65 N66 Y67 F92	P60-S63 WeakPolarHBondContact O-CA 3.29Å; P60-S63 WeakPolarHBondContact O-CB 3.45Å; P60-S63 PolarHBondContact O-N 2.87Å; A61-S63 PolarHBondContact O-N 3.23Å; S63-D65 PolarHBondContact O-N 2.82Å; S63-N66 PolarHBondContact O-N 3.24Å; S63-Y67 PolarHBondContact O-N 3.44Å; S63-F92 VanDerWaalsContact CB-CZ 3.48Å; S63-F92 VanDerWaalsContact O-CZ 3.31Å; S63-F92 WeakPolarHBondContact O-CZ 3.44Å
64	H	92.7	Very high	93	Very high	57 Å²	57	57.5 Å²	57.5	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-47.2	173.4	-179.7	-83	0	0	0	111.4	L59 P60 A61 N66 Y67 A68	L59-H64 HydrophobicContact CB-CB 4.27Å; P60-H64 PolarHBondContact O-N 3.23Å; A61-H64 PolarHBondContact O-N 2.94Å; H64-N66 PolarHBondContact O-N 3.17Å; H64-Y67 PolarHBondContact O-N 3.25Å; H64-A68 WeakPolarHBondContact O-CB 3.24Å; H64-A68 PolarHBondContact O-N 3.03Å
65	D	92.9	Very high	93	Very high	83 Å²	83	61.8 Å²	61.8	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-39.7	178.9	-73.2	-10.3	0	0	0	112.6	A61 S63 A68 K69	A61-D65 WeakPolarHBondContact O-CB 3.4Å; A61-D65 VanDerWaalsContact O-CG 3.3Å; A61-D65 PolarHBondContact O-N 2.99Å; S63-D65 PolarHBondContact O-N 2.82Å; D65-A68 PolarHBondContact O-N 3.5Å; D65-K69 WeakPolarHBondContact O-CB 3.46Å; D65-K69 VanDerWaalsContact O-CG 3.25Å; D65-K69 WeakPolarHBondContact O-CG 3.38Å; D65-K69 PolarHBondContact O-N 3.29Å
66	N	91.1	Very high	92.8	Very high	79 Å²	79	62.9 Å²	62.9	42%	0.422	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-42.8	175.5	-74.2	-18.3	0	0	0	111.6	A62 S63 H64 Y70 F92	A62-N66 WeakPolarHBondContact O-CB 3.47Å; A62-N66 PolarHBondContact O-N 3.25Å; A62-N66 PolarHBondContact O-ND2 3.4Å; S63-N66 PolarHBondContact O-N 3.24Å; H64-N66 PolarHBondContact O-N 3.17Å; N66-Y70 WeakPolarHBondContact O-CB 3.07Å; N66-Y70 PolarHBondContact O-N 2.79Å; N66-F92 HydrophobicContact CB-CZ 4.21Å
67	Y	91.9	Very high	92.6	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-47.4	174.5	169.5	-112.9	0	0	0	111.7	L56 S63 H64 K69 Y70 V71 P76 T84 P87 V88	L56-Y67 HydrophobicContact CD1-CE1 4.49Å; L56-Y67 HydrophobicContact CD2-CD1 3.57Å; L56-Y67 HydrophobicContact CD2-CE1 3.59Å; S63-Y67 PolarHBondContact O-N 3.44Å; H64-Y67 PolarHBondContact O-N 3.25Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 2.72Å; Y67-Y70 WeakPolarHBondContact O-CB 3.49Å; Y67-Y70 PolarHBondContact O-N 2.97Å; Y67-V71 HydrophobicContact CD2-CG1 3.9Å; Y67-V71 HydrophobicContact CE2-CG1 3.25Å; Y67-V71 PolarHBondContact O-N 3.49Å; Y67-V71 VanDerWaalsContact O-N 3.14Å; Y67-P76 HydrophobicContact CD1-CB 4.36Å; Y67-P76 HydrophobicContact CD1-CG 4.2Å; Y67-P76 HydrophobicContact CE1-CB 3.73Å; Y67-P76 HydrophobicContact CE1-CG 3.95Å; Y67-T84 HydrophobicContact CE1-CG2 4.14Å; Y67-P87 HydrophobicContact CD2-CB 4.47Å; Y67-P87 HydrophobicContact CE2-CB 3.95Å; Y67-V88 HydrophobicContact CD1-CG2 4.29Å; Y67-V88 HydrophobicContact CD2-CG2 3.43Å; Y67-V88 VanDerWaalsContact CD2-CG2 3.43Å; Y67-V88 HydrophobicContact CE1-CG2 4.43Å; Y67-V88 HydrophobicContact CE2-CG2 3.63Å; Y67-V88 HydrophobicContact CG-CG2 3.8Å
68	A	93	Very high	92.5	Very high	25 Å²	25	71.1 Å²	71.1	21%	0.207	37%	0.373	C	S	.	.	H	α-helix	trans	-58	-40.2	179.1	0	0	0	0	0	112.1	H64 D65 V71 P76	H64-A68 WeakPolarHBondContact O-CB 3.24Å; H64-A68 PolarHBondContact O-N 3.03Å; D65-A68 PolarHBondContact O-N 3.5Å; A68-V71 WeakPolarHBondContact O-CG2 3.37Å; A68-P76 HydrophobicContact CB-CG 3.86Å
69	K	93.7	Very high	92.5	Very high	135 Å²	135	71.3 Å²	71.3	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-66.4	-38.7	173.6	-70.9	167	-171.9	168.9	0	112.5	D65 Y67 V71 L72	D65-K69 WeakPolarHBondContact O-CB 3.46Å; D65-K69 VanDerWaalsContact O-CG 3.25Å; D65-K69 WeakPolarHBondContact O-CG 3.38Å; D65-K69 PolarHBondContact O-N 3.29Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 2.72Å; K69-V71 VanDerWaalsContact C-N 3.32Å; K69-V71 PolarHBondContact O-N 2.86Å; K69-L72 PolarHBondContact O-N 2.99Å
70	Y	91.7	Very high	92.5	Very high	133 Å²	133	73.2 Å²	73.2	52%	0.522	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-34	-178.2	-176.9	-95.6	0	0	0	112.9	N66 Y67 P87 V91	N66-Y70 WeakPolarHBondContact O-CB 3.07Å; N66-Y70 PolarHBondContact O-N 2.79Å; Y67-Y70 WeakPolarHBondContact O-CB 3.49Å; Y67-Y70 PolarHBondContact O-N 2.97Å; Y70-P87 HydrophobicContact CD1-CB 4.08Å; Y70-P87 HydrophobicContact CE1-CB 3.89Å; Y70-V91 HydrophobicContact CD1-CG2 3.81Å; Y70-V91 HydrophobicContact CD2-CG2 3.67Å; Y70-V91 HydrophobicContact CE1-CG2 4.16Å; Y70-V91 HydrophobicContact CE2-CG2 4.02Å; Y70-V91 HydrophobicContact CG-CG2 3.54Å
71	V	92.4	Very high	92.4	Very high	13 Å²	13	73.3 Å²	73.3	8%	0.079	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.4	-176	-62.5	0	0	0	0	115	Y67 A68 K69 K74 P76 F79	Y67-V71 HydrophobicContact CD2-CG1 3.9Å; Y67-V71 HydrophobicContact CE2-CG1 3.25Å; Y67-V71 PolarHBondContact O-N 3.49Å; Y67-V71 VanDerWaalsContact O-N 3.14Å; A68-V71 WeakPolarHBondContact O-CG2 3.37Å; K69-V71 VanDerWaalsContact C-N 3.32Å; K69-V71 PolarHBondContact O-N 2.86Å; V71-K74 CarbonylContact C-O 3.56Å; V71-K74 PolarHBondContact O-N 3.06Å; V71-K74 VanDerWaalsContact O-N 3.08Å; V71-P76 HydrophobicContact CG2-CG 4.24Å; V71-F79 HydrophobicContact CB-CE2 3.56Å; V71-F79 HydrophobicContact CB-CZ 3.69Å; V71-F79 HydrophobicContact CG1-CE2 3.98Å; V71-F79 HydrophobicContact CG1-CZ 4.04Å; V71-F79 HydrophobicContact CG2-CE2 3.82Å; V71-F79 HydrophobicContact CG2-CZ 4.45Å
72	L	93.7	Very high	92.4	Very high	117 Å²	117	77.1 Å²	77.1	61%	0.613	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	143.3	175.7	-70.8	175.4	0	0	0	111.1	K69	K69-L72 PolarHBondContact O-N 2.99Å
73	P	93.9	Very high	92.5	Very high	131 Å²	131	78.6 Å²	78.6	85%	0.851	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-3.5	10.3	34.3	-37.3	0	0	0	115.5
74	K	93.8	Very high	92.6	Very high	117 Å²	117	78.1 Å²	78.1	51%	0.509	38%	0.378	S	S	.	.	S	Bend	trans	-75	161.4	176.6	-65.6	-175.8	177.3	-173.8	0	110.8	V71 D78 F79	V71-K74 CarbonylContact C-O 3.56Å; V71-K74 PolarHBondContact O-N 3.06Å; V71-K74 VanDerWaalsContact O-N 3.08Å; K74-D78 HydrophobicContact CB-CB 4.5Å; K74-F79 HydrophobicContact CB-CE2 3.69Å; K74-F79 HydrophobicContact CB-CZ 3.62Å; K74-F79 HydrophobicContact CD-CE1 3.98Å; K74-F79 HydrophobicContact CD-CE2 4.34Å; K74-F79 HydrophobicContact CD-CZ 3.65Å; K74-F79 HydrophobicContact CG-CZ 4.26Å
75	Q	91.6	Very high	92.6	Very high	91 Å²	91	76.3 Å²	76.3	43%	0.425	37%	0.371	S	S	.	.			trans	-97.4	151	174.8	-59.2	-173	11.5	0	0	110.8	R77 D78 F79	Q75-R77 HydrophobicContact CB-CG 4.07Å; Q75-R77 PolarHBondContact O-N 3.38Å; Q75-D78 WeakPolarHBondContact CB-OD2 3.45Å; Q75-D78 PolarHBondContact N-OD2 3.16Å; Q75-D78 WeakPolarHBondContact O-CB 3.45Å; Q75-D78 PolarHBondContact O-N 3.13Å; Q75-F79 VanDerWaalsContact O-CD2 3.22Å; Q75-F79 WeakPolarHBondContact O-CD2 3.43Å; Q75-F79 VanDerWaalsContact O-CE2 3.28Å; Q75-F79 WeakPolarHBondContact O-CE2 3.36Å
76	P	90.2	Very high	92.5	Very high	22 Å²	22	76.6 Å²	76.6	14%	0.143	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-44.9	-36.5	173.6	-36.8	40.5	0	0	0	115.5	L56 Y67 A68 V71 D78	L56-P76 HydrophobicContact CD1-CB 3.62Å; Y67-P76 HydrophobicContact CD1-CB 4.36Å; Y67-P76 HydrophobicContact CD1-CG 4.2Å; Y67-P76 HydrophobicContact CE1-CB 3.73Å; Y67-P76 HydrophobicContact CE1-CG 3.95Å; A68-P76 HydrophobicContact CB-CG 3.86Å; V71-P76 HydrophobicContact CG2-CG 4.24Å; P76-D78 VanDerWaalsContact C-N 3.27Å; P76-D78 PolarHBondContact O-N 3.32Å
77	R	89.1	Confident	92.4	Very high	183 Å²	183	74 Å²	74	69%	0.691	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-73.8	-12.8	180	67.6	179.9	175.7	-173.9	-4.4	114.9	Q75	Q75-R77 HydrophobicContact CB-CG 4.07Å; Q75-R77 PolarHBondContact O-N 3.38Å
78	D	91.6	Very high	92.4	Very high	88 Å²	88	74 Å²	74	47%	0.471	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-85.4	-1.6	-177.3	-55.2	-26.1	0	0	0	112.1	K74 Q75 P76	K74-D78 HydrophobicContact CB-CB 4.5Å; Q75-D78 WeakPolarHBondContact CB-OD2 3.45Å; Q75-D78 PolarHBondContact N-OD2 3.16Å; Q75-D78 WeakPolarHBondContact O-CB 3.45Å; Q75-D78 PolarHBondContact O-N 3.13Å; P76-D78 VanDerWaalsContact C-N 3.27Å; P76-D78 PolarHBondContact O-N 3.32Å
79	F	93.5	Very high	92.4	Very high	33 Å²	33	74.5 Å²	74.5	15%	0.145	36%	0.361	C	S	.	.	S	Bend	trans	-106.3	144.8	-178.1	-62.4	-85.6	0	0	0	110.4	V52 V71 K74 Q75 E83 T84	V52-F79 WeakPolarHBondContact CG2-O 3.47Å; V71-F79 HydrophobicContact CB-CE2 3.56Å; V71-F79 HydrophobicContact CB-CZ 3.69Å; V71-F79 HydrophobicContact CG1-CE2 3.98Å; V71-F79 HydrophobicContact CG1-CZ 4.04Å; V71-F79 HydrophobicContact CG2-CE2 3.82Å; V71-F79 HydrophobicContact CG2-CZ 4.45Å; K74-F79 HydrophobicContact CB-CE2 3.69Å; K74-F79 HydrophobicContact CB-CZ 3.62Å; K74-F79 HydrophobicContact CD-CE1 3.98Å; K74-F79 HydrophobicContact CD-CE2 4.34Å; K74-F79 HydrophobicContact CD-CZ 3.65Å; K74-F79 HydrophobicContact CG-CZ 4.26Å; Q75-F79 VanDerWaalsContact O-CD2 3.22Å; Q75-F79 WeakPolarHBondContact O-CD2 3.43Å; Q75-F79 VanDerWaalsContact O-CE2 3.28Å; Q75-F79 WeakPolarHBondContact O-CE2 3.36Å; F79-E83 HydrophobicContact CB-CB 4.04Å; F79-E83 HydrophobicContact CD1-CB 4.03Å; F79-T84 WeakPolarHBondContact CB-OG1 3.42Å
80	T	94.4	Very high	92.1	Very high	48 Å²	48	75 Å²	75	29%	0.294	36%	0.363	S	S	.	.			trans	-66.9	168.7	166.3	59.4	0	0	0	0	110.9	D48 K82 E83 T84	D48-T80 WeakPolarHBondContact OD2-CB 3.25Å; D48-T80 VanDerWaalsContact OD2-CG2 3.31Å; D48-T80 WeakPolarHBondContact OD2-CG2 3.48Å; T80-K82 VanDerWaalsContact C-N 3.3Å; T80-K82 PolarHBondContact O-N 3.14Å; T80-E83 WeakPolarHBondContact CB-OE2 3.39Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.49Å; T80-E83 PolarHBondContact N-OE2 3.12Å; T80-E83 PolarHBondContact O-N 3.11Å; T80-E83 WeakPolarHBondContact OG1-CB 3.12Å; T80-E83 VanDerWaalsContact OG1-CD 3.25Å; T80-E83 WeakPolarHBondContact OG1-CG 3.38Å; T80-E83 PolarHBondContact OG1-N 3.48Å; T80-E83 PolarHBondContact OG1-OE2 2.99Å; T80-T84 WeakPolarHBondContact O-CB 3.21Å; T80-T84 PolarHBondContact O-N 3.2Å; T80-T84 PolarHBondContact O-OG1 3.45Å
81	F	93.2	Very high	92	Very high	32 Å²	32	70.6 Å²	70.6	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-57.9	-46.3	176.7	-178.1	-100.1	0	0	0	111.4	F32 F39 V43 D48 V52 L55 E83 T84 V85	F32-F81 HydrophobicContact CE2-CE1 4.35Å; F32-F81 AromaticContact CE2-CZ 3.91Å; F32-F81 HydrophobicContact CE2-CZ 3.91Å; F32-F81 HydrophobicContact CZ-CE1 4.17Å; F32-F81 HydrophobicContact CZ-CZ 4.14Å; F39-F81 HydrophobicContact CD1-CE1 4.5Å; F39-F81 HydrophobicContact CD1-CE2 4.1Å; F39-F81 AromaticContact CD1-CZ 3.5Å; F39-F81 HydrophobicContact CD1-CZ 3.5Å; F39-F81 VanDerWaalsContact CD1-CZ 3.5Å; F39-F81 HydrophobicContact CE1-CE2 4.21Å; F39-F81 AromaticContact CE1-CZ 3.97Å; F39-F81 HydrophobicContact CE1-CZ 3.97Å; F39-F81 HydrophobicContact CG-CZ 4.21Å; V43-F81 HydrophobicContact CG1-CD2 4.29Å; V43-F81 HydrophobicContact CG1-CE2 3.96Å; V43-F81 HydrophobicContact CG1-CZ 4.2Å; D48-F81 WeakPolarHBondContact OD1-CB 3.41Å; D48-F81 PolarHBondContact OD1-N 3.12Å; V52-F81 HydrophobicContact CG2-CB 4.25Å; L55-F81 HydrophobicContact CB-CE2 4.08Å; L55-F81 HydrophobicContact CD2-CE2 4.08Å; F81-E83 PolarHBondContact O-N 3.46Å; F81-T84 WeakPolarHBondContact O-CB 3.48Å; F81-T84 PolarHBondContact O-N 2.94Å; F81-T84 VanDerWaalsContact O-N 3.14Å; F81-V85 HydrophobicContact CD1-CG2 4.16Å; F81-V85 HydrophobicContact CE1-CG2 3.77Å; F81-V85 HydrophobicContact CE2-CG2 4.41Å; F81-V85 HydrophobicContact CZ-CG2 3.91Å; F81-V85 WeakPolarHBondContact O-CG2 3.33Å; F81-V85 PolarHBondContact O-N 3.27Å
82	K	92.1	Very high	91.9	Very high	156 Å²	156	70.3 Å²	70.3	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-61.1	-45.4	177.6	-175	179.9	177.1	-176.6	0	112.3	T80 T84 V85 D86	T80-K82 VanDerWaalsContact C-N 3.3Å; T80-K82 PolarHBondContact O-N 3.14Å; K82-T84 PolarHBondContact O-N 3.19Å; K82-V85 PolarHBondContact O-N 3.08Å; K82-D86 PolarHBondContact O-N 3.15Å
83	E	93.2	Very high	91.5	Very high	97 Å²	97	66.2 Å²	66.2	45%	0.453	33%	0.331	S	S	.	.	H	α-helix	trans	-69.4	-16.9	178	-69	168.4	139.6	0	0	113.4	F79 T80 F81 P87	F79-E83 HydrophobicContact CB-CB 4.04Å; F79-E83 HydrophobicContact CD1-CB 4.03Å; T80-E83 WeakPolarHBondContact CB-OE2 3.39Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.49Å; T80-E83 PolarHBondContact N-OE2 3.12Å; T80-E83 PolarHBondContact O-N 3.11Å; T80-E83 WeakPolarHBondContact OG1-CB 3.12Å; T80-E83 VanDerWaalsContact OG1-CD 3.25Å; T80-E83 WeakPolarHBondContact OG1-CG 3.38Å; T80-E83 PolarHBondContact OG1-N 3.48Å; T80-E83 PolarHBondContact OG1-OE2 2.99Å; F81-E83 PolarHBondContact O-N 3.46Å; E83-P87 WeakPolarHBondContact O-CD 3.42Å; E83-P87 WeakPolarHBondContact O-CG 3.48Å
84	T	94.1	Very high	90.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-83.8	-43.2	173.2	-59.8	0	0	0	0	111.3	L55 L56 Y67 F79 T80 F81 K82 D86 P87 V88	L55-T84 HydrophobicContact CD2-CG2 3.82Å; L56-T84 HydrophobicContact CD2-CG2 4.29Å; Y67-T84 HydrophobicContact CE1-CG2 4.14Å; F79-T84 WeakPolarHBondContact CB-OG1 3.42Å; T80-T84 WeakPolarHBondContact O-CB 3.21Å; T80-T84 PolarHBondContact O-N 3.2Å; T80-T84 PolarHBondContact O-OG1 3.45Å; F81-T84 WeakPolarHBondContact O-CB 3.48Å; F81-T84 PolarHBondContact O-N 2.94Å; F81-T84 VanDerWaalsContact O-N 3.14Å; K82-T84 PolarHBondContact O-N 3.19Å; T84-D86 VanDerWaalsContact C-N 3.34Å; T84-D86 PolarHBondContact O-N 3.33Å; T84-P87 WeakPolarHBondContact O-CD 3.28Å; T84-V88 HydrophobicContact CG2-CG2 4.04Å; T84-V88 WeakPolarHBondContact O-CB 3.37Å; T84-V88 WeakPolarHBondContact O-CG2 3.41Å; T84-V88 PolarHBondContact O-N 3.2Å; T84-V88 VanDerWaalsContact O-N 3.15Å
85	V	93.8	Very high	90.1	Very high	19 Å²	19	64 Å²	64	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-43.4	-177.9	168.5	0	0	0	0	111.7	F28 F32 L55 F81 K82 V88 T89	F28-V85 HydrophobicContact CE1-CG1 4.33Å; F32-V85 HydrophobicContact CE2-CG1 4.3Å; F32-V85 HydrophobicContact CE2-CG2 3.73Å; F32-V85 HydrophobicContact CZ-CG1 4.28Å; F32-V85 HydrophobicContact CZ-CG2 4.03Å; L55-V85 HydrophobicContact CD2-CG2 4Å; F81-V85 HydrophobicContact CD1-CG2 4.16Å; F81-V85 HydrophobicContact CE1-CG2 3.77Å; F81-V85 HydrophobicContact CE2-CG2 4.41Å; F81-V85 HydrophobicContact CZ-CG2 3.91Å; F81-V85 WeakPolarHBondContact O-CG2 3.33Å; F81-V85 PolarHBondContact O-N 3.27Å; K82-V85 PolarHBondContact O-N 3.08Å; V85-V88 PolarHBondContact O-N 3.28Å; V85-T89 VanDerWaalsContact O-CB 3.25Å; V85-T89 WeakPolarHBondContact O-CB 3.34Å; V85-T89 PolarHBondContact O-N 3.01Å; V85-T89 PolarHBondContact O-OG1 3.3Å
86	D	91	Very high	89.7	Confident	89 Å²	89	61.8 Å²	61.8	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-53.7	-176.2	-78.9	-12.2	0	0	0	113.2	K82 T84 T89 K90	K82-D86 PolarHBondContact O-N 3.15Å; T84-D86 VanDerWaalsContact C-N 3.34Å; T84-D86 PolarHBondContact O-N 3.33Å; D86-T89 PolarHBondContact O-N 2.64Å; D86-K90 WeakPolarHBondContact O-CG 3.25Å; D86-K90 PolarHBondContact O-N 3.14Å
87	P	89	Confident	89.6	Confident	24 Å²	24	62.9 Å²	62.9	16%	0.156	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-44.1	173.5	-26.5	35.4	0	0	0	113.7	Y67 Y70 E83 T84 T89 K90 V91	Y67-P87 HydrophobicContact CD2-CB 4.47Å; Y67-P87 HydrophobicContact CE2-CB 3.95Å; Y70-P87 HydrophobicContact CD1-CB 4.08Å; Y70-P87 HydrophobicContact CE1-CB 3.89Å; E83-P87 WeakPolarHBondContact O-CD 3.42Å; E83-P87 WeakPolarHBondContact O-CG 3.48Å; T84-P87 WeakPolarHBondContact O-CD 3.28Å; P87-T89 VanDerWaalsContact C-N 3.31Å; P87-T89 PolarHBondContact O-N 2.88Å; P87-K90 PolarHBondContact O-N 2.85Å; P87-K90 VanDerWaalsContact O-N 3.13Å; P87-V91 VanDerWaalsContact O-CG2 3.31Å; P87-V91 WeakPolarHBondContact O-CG2 3.46Å; P87-V91 PolarHBondContact O-N 2.79Å
88	V	92.3	Very high	89.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-43.2	179.6	176.9	0	0	0	0	109.9	F28 L59 Y67 T84 V85 K90 V91 F92	F28-V88 HydrophobicContact CD1-CG1 4.06Å; F28-V88 HydrophobicContact CD2-CG1 3.42Å; F28-V88 VanDerWaalsContact CD2-CG1 3.42Å; F28-V88 HydrophobicContact CE1-CB 4.32Å; F28-V88 HydrophobicContact CE1-CG1 3.99Å; F28-V88 HydrophobicContact CE2-CB 4.37Å; F28-V88 HydrophobicContact CE2-CG1 3.34Å; F28-V88 HydrophobicContact CG-CG1 3.77Å; F28-V88 HydrophobicContact CZ-CB 4.19Å; F28-V88 HydrophobicContact CZ-CG1 3.63Å; L59-V88 HydrophobicContact CD1-CG1 4.28Å; L59-V88 HydrophobicContact CD2-CG1 4.35Å; Y67-V88 HydrophobicContact CD1-CG2 4.29Å; Y67-V88 HydrophobicContact CD2-CG2 3.43Å; Y67-V88 VanDerWaalsContact CD2-CG2 3.43Å; Y67-V88 HydrophobicContact CE1-CG2 4.43Å; Y67-V88 HydrophobicContact CE2-CG2 3.63Å; Y67-V88 HydrophobicContact CG-CG2 3.8Å; T84-V88 HydrophobicContact CG2-CG2 4.04Å; T84-V88 WeakPolarHBondContact O-CB 3.37Å; T84-V88 WeakPolarHBondContact O-CG2 3.41Å; T84-V88 PolarHBondContact O-N 3.2Å; T84-V88 VanDerWaalsContact O-N 3.15Å; V85-V88 PolarHBondContact O-N 3.28Å; V88-K90 VanDerWaalsContact C-N 3.3Å; V88-K90 PolarHBondContact O-N 2.87Å; V88-V91 PolarHBondContact O-N 3.35Å; V88-F92 HydrophobicContact CG1-CD2 3.73Å; V88-F92 HydrophobicContact CG1-CE2 4.11Å; V88-F92 VanDerWaalsContact O-CD2 3.25Å; V88-F92 WeakPolarHBondContact O-CD2 3.43Å; V88-F92 PolarHBondContact O-N 3.03Å
89	T	92.2	Very high	89.6	Confident	37 Å²	37	54.7 Å²	54.7	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-43.1	174.4	-57.9	0	0	0	0	111.6	F28 E29 V85 D86 P87 F92 A93	F28-T89 VanDerWaalsContact CD1-OG1 3.23Å; F28-T89 WeakPolarHBondContact CD1-OG1 3.3Å; F28-T89 WeakPolarHBondContact CE1-OG1 3.29Å; E29-T89 HydrophobicContact CB-CG2 4.33Å; V85-T89 VanDerWaalsContact O-CB 3.25Å; V85-T89 WeakPolarHBondContact O-CB 3.34Å; V85-T89 PolarHBondContact O-N 3.01Å; V85-T89 PolarHBondContact O-OG1 3.3Å; D86-T89 PolarHBondContact O-N 2.64Å; P87-T89 VanDerWaalsContact C-N 3.31Å; P87-T89 PolarHBondContact O-N 2.88Å; T89-F92 CarbonylContact O-C 3.4Å; T89-A93 WeakPolarHBondContact O-CA 3.47Å; T89-A93 VanDerWaalsContact O-CB 3.28Å; T89-A93 WeakPolarHBondContact O-CB 3.46Å; T89-A93 PolarHBondContact O-N 3.02Å
90	K	87.5	Confident	89.5	Confident	144 Å²	144	55.7 Å²	55.7	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-67.6	-45.1	178.7	-72.4	172.1	-177.6	174.6	0	112.9	D86 P87 V88 F92 A93	D86-K90 WeakPolarHBondContact O-CG 3.25Å; D86-K90 PolarHBondContact O-N 3.14Å; P87-K90 PolarHBondContact O-N 2.85Å; P87-K90 VanDerWaalsContact O-N 3.13Å; V88-K90 VanDerWaalsContact C-N 3.3Å; V88-K90 PolarHBondContact O-N 2.87Å; K90-F92 VanDerWaalsContact C-N 3.27Å; K90-F92 PolarHBondContact O-N 3.04Å; K90-A93 WeakPolarHBondContact O-CB 3.48Å; K90-A93 PolarHBondContact O-N 3.28Å
91	V	88.6	Confident	89.3	Confident	41 Å²	41	54 Å²	54	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-37.6	-179.4	172.1	0	0	0	0	110.9	Y70 P87 V88	Y70-V91 HydrophobicContact CD1-CG2 3.81Å; Y70-V91 HydrophobicContact CD2-CG2 3.67Å; Y70-V91 HydrophobicContact CE1-CG2 4.16Å; Y70-V91 HydrophobicContact CE2-CG2 4.02Å; Y70-V91 HydrophobicContact CG-CG2 3.54Å; P87-V91 VanDerWaalsContact O-CG2 3.31Å; P87-V91 WeakPolarHBondContact O-CG2 3.46Å; P87-V91 PolarHBondContact O-N 2.79Å; V88-V91 PolarHBondContact O-N 3.35Å
92	F	90.9	Very high	89.3	Confident	7 Å²	7	53.7 Å²	53.7	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	30.9	-177.7	-56.6	-68.8	0	0	0	112.7	F18 Y20 F28 S63 N66 V88 T89 K90	F18-F92 HydrophobicContact CE1-CB 4.06Å; F18-F92 AromaticContact CE1-CD1 3.98Å; F18-F92 HydrophobicContact CE1-CD1 3.98Å; F18-F92 HydrophobicContact CE1-CD2 4.16Å; F18-F92 AromaticContact CE1-CG 3.79Å; F18-F92 HydrophobicContact CE1-CG 3.79Å; F18-F92 HydrophobicContact CZ-CB 3.84Å; F18-F92 HydrophobicContact CZ-CD1 4.41Å; F18-F92 HydrophobicContact CZ-CG 4.09Å; Y20-F92 HydrophobicContact CD1-CD1 4.22Å; Y20-F92 HydrophobicContact CD2-CB 4.03Å; Y20-F92 HydrophobicContact CD2-CD1 4.27Å; Y20-F92 HydrophobicContact CE2-CB 4.12Å; Y20-F92 WeakPolarHBondContact CE2-O 3.37Å; Y20-F92 HydrophobicContact CG-CD1 4.04Å; F28-F92 HydrophobicContact CB-CB 3.66Å; F28-F92 PolarHBondContact N-O 3.4Å; F28-F92 VanDerWaalsContact N-O 3.09Å; S63-F92 VanDerWaalsContact CB-CZ 3.48Å; S63-F92 VanDerWaalsContact O-CZ 3.31Å; S63-F92 WeakPolarHBondContact O-CZ 3.44Å; N66-F92 HydrophobicContact CB-CZ 4.21Å; V88-F92 HydrophobicContact CG1-CD2 3.73Å; V88-F92 HydrophobicContact CG1-CE2 4.11Å; V88-F92 VanDerWaalsContact O-CD2 3.25Å; V88-F92 WeakPolarHBondContact O-CD2 3.43Å; V88-F92 PolarHBondContact O-N 3.03Å; T89-F92 CarbonylContact O-C 3.4Å; K90-F92 VanDerWaalsContact C-N 3.27Å; K90-F92 PolarHBondContact O-N 3.04Å
93	A	86.1	Confident	89.4	Confident	32 Å²	32	48.6 Å²	48.6	26%	0.264	26%	0.258	S	S	.	.	S	Bend	trans	-73.9	169.3	174.7	0	0	0	0	0	111.6	Y20 T89 K90 Q95	Y20-A93 PolarHBondContact OH-O 3.18Å; T89-A93 WeakPolarHBondContact O-CA 3.47Å; T89-A93 VanDerWaalsContact O-CB 3.28Å; T89-A93 WeakPolarHBondContact O-CB 3.46Å; T89-A93 PolarHBondContact O-N 3.02Å; K90-A93 WeakPolarHBondContact O-CB 3.48Å; K90-A93 PolarHBondContact O-N 3.28Å; A93-Q95 PolarHBondContact O-N 3.33Å
94	S	80.4	Confident	89.2	Confident	45 Å²	45	48 Å²	48	32%	0.315	26%	0.255	S	S	.	.			trans	-63.5	127.9	163.3	175.8	0	0	0	0	109.5	S96	S94-S96 VanDerWaalsContact C-N 3.33Å; S94-S96 PolarHBondContact OG-N 3.46Å
95	Q	77.9	Confident	89.1	Confident	157 Å²	157	49.3 Å²	49.3	73%	0.734	26%	0.264	S	S	*	.			trans	-81	-15.3	176.6	-61.8	-172.9	0.3	0	0	112.9	A93	A93-Q95 PolarHBondContact O-N 3.33Å
96	S	82.6	Confident	89.1	Confident	44 Å²	44	51.5 Å²	51.5	31%	0.308	27%	0.274	S	S	.	.	S	Bend	trans	-80.7	132.7	178.4	-58.4	0	0	0	0	111.6	S94 N100	S94-S96 VanDerWaalsContact C-N 3.33Å; S94-S96 PolarHBondContact OG-N 3.46Å; S96-N100 WeakPolarHBondContact CB-OD1 3.47Å; S96-N100 PolarHBondContact OG-OD1 3.34Å
97	S	87.5	Confident	89.1	Confident	44 Å²	44	53.8 Å²	53.8	31%	0.308	28%	0.276	S	S	.	.			trans	-64.4	156.3	170	80.8	0	0	0	0	111.4	F99 N100 V101 E166	S97-F99 PolarHBondContact O-N 2.86Å; S97-N100 WeakPolarHBondContact O-CA 3.31Å; S97-N100 WeakPolarHBondContact O-CB 3.49Å; S97-N100 PolarHBondContact O-N 3.11Å; S97-N100 PolarHBondContact OG-N 3.11Å; S97-V101 PolarHBondContact O-N 2.75Å; S97-E166 WeakPolarHBondContact CB-OE1 3.22Å; S97-E166 PolarHBondContact OG-OE1 2.88Å
98	L	89.6	Confident	89.3	Confident	67 Å²	67	54.6 Å²	54.6	35%	0.351	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-32.3	-178.8	-173.5	59.1	0	0	0	112	R102	L98-R102 VanDerWaalsContact CD2-CZ 3.47Å; L98-R102 WeakPolarHBondContact O-CB 3.5Å; L98-R102 VanDerWaalsContact O-CG 3.23Å; L98-R102 WeakPolarHBondContact O-CG 3.49Å; L98-R102 PolarHBondContact O-N 3.44Å
99	F	92.4	Very high	89.4	Confident	32 Å²	32	59.9 Å²	59.9	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-48.6	170.5	177.8	-85.2	0	0	0	111.3	S97 V101 R102 Y103 L143 V146 L162	S97-F99 PolarHBondContact O-N 2.86Å; F99-V101 PolarHBondContact O-N 2.85Å; F99-R102 PolarHBondContact O-N 3.25Å; F99-Y103 VanDerWaalsContact O-CB 3.29Å; F99-Y103 WeakPolarHBondContact O-CB 3.28Å; F99-Y103 PolarHBondContact O-N 3.14Å; F99-L143 HydrophobicContact CD2-CD1 3.52Å; F99-L143 HydrophobicContact CE2-CD1 3.36Å; F99-L143 HydrophobicContact CG-CD1 4.31Å; F99-L143 HydrophobicContact CZ-CD1 4.04Å; F99-V146 HydrophobicContact CE2-CB 3.94Å; F99-V146 HydrophobicContact CE2-CG1 3.8Å; F99-V146 HydrophobicContact CZ-CB 4.17Å; F99-V146 HydrophobicContact CZ-CG1 3.67Å; F99-L162 HydrophobicContact CB-CD1 3.65Å; F99-L162 HydrophobicContact CD1-CD1 3.41Å; F99-L162 VanDerWaalsContact CD1-CD1 3.41Å; F99-L162 HydrophobicContact CD2-CD1 3.46Å; F99-L162 VanDerWaalsContact CD2-CD1 3.46Å; F99-L162 HydrophobicContact CE1-CD1 3.88Å; F99-L162 HydrophobicContact CE2-CD1 3.9Å; F99-L162 HydrophobicContact CG-CD1 3.2Å; F99-L162 HydrophobicContact CZ-CD1 4.11Å
100	N	90.5	Very high	89.6	Confident	54 Å²	54	62 Å²	62	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-44.6	-179.4	-178.7	-91.4	0	0	0	111.3	S96 S97 R102 Y103 H104	S96-N100 WeakPolarHBondContact CB-OD1 3.47Å; S96-N100 PolarHBondContact OG-OD1 3.34Å; S97-N100 WeakPolarHBondContact O-CA 3.31Å; S97-N100 WeakPolarHBondContact O-CB 3.49Å; S97-N100 PolarHBondContact O-N 3.11Å; S97-N100 PolarHBondContact OG-N 3.11Å; N100-R102 PolarHBondContact O-N 3.04Å; N100-Y103 PolarHBondContact O-N 3.47Å; N100-H104 PolarHBondContact O-CD2 3.39Å; N100-H104 PolarHBondContact O-N 3.5Å; N100-H104 PolarHBondContact OD1-CD2 3.01Å; N100-H104 VanDerWaalsContact OD1-CD2 3.27Å
101	V	90.4	Very high	89.8	Confident	14 Å²	14	62.1 Å²	62.1	9%	0.085	32%	0.318	C	S	.	.	H	α-helix	trans	-56.7	-49.2	174.3	172.1	0	0	0	0	111.6	S97 F99 H104 C105 R129	S97-V101 PolarHBondContact O-N 2.75Å; F99-V101 PolarHBondContact O-N 2.85Å; V101-H104 PolarHBondContact O-N 3.3Å; V101-C105 PolarHBondContact O-N 3.45Å; V101-R129 HydrophobicContact CG1-CB 3.62Å; V101-R129 WeakPolarHBondContact CG1-O 3.44Å
102	R	93.8	Very high	90.1	Very high	25 Å²	25	67.9 Å²	67.9	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-41.8	179.4	-71.2	169.7	174.6	168.8	-5.6	111.8	L98 F99 N100 C105 L106 F130 L135 L143	L98-R102 VanDerWaalsContact CD2-CZ 3.47Å; L98-R102 WeakPolarHBondContact O-CB 3.5Å; L98-R102 VanDerWaalsContact O-CG 3.23Å; L98-R102 WeakPolarHBondContact O-CG 3.49Å; L98-R102 PolarHBondContact O-N 3.44Å; F99-R102 PolarHBondContact O-N 3.25Å; N100-R102 PolarHBondContact O-N 3.04Å; R102-C105 WeakPolarHBondContact O-CB 3.31Å; R102-C105 PolarHBondContact O-N 3Å; R102-L106 WeakPolarHBondContact O-CG 3.44Å; R102-L106 PolarHBondContact O-N 3.18Å; R102-L106 VanDerWaalsContact O-N 3.08Å; R102-F130 HydrophobicContact CB-CD2 3.92Å; R102-F130 HydrophobicContact CB-CE2 3.61Å; R102-F130 HydrophobicContact CB-CZ 4.21Å; R102-F130 HydrophobicContact CG-CD1 4.38Å; R102-F130 HydrophobicContact CG-CD2 3.72Å; R102-F130 HydrophobicContact CG-CE1 4.35Å; R102-F130 HydrophobicContact CG-CE2 3.69Å; R102-F130 HydrophobicContact CG-CG 4.09Å; R102-F130 HydrophobicContact CG-CZ 4.02Å; R102-F130 PolarHBondContact NE-O 3.45Å; R102-L135 VanDerWaalsContact CZ-CD1 3.47Å; R102-L143 HydrophobicContact CB-CD1 4.39Å; R102-L143 HydrophobicContact CB-CD2 3.9Å
103	Y	92.6	Very high	90.2	Very high	49 Å²	49	75.6 Å²	75.6	19%	0.192	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-46.1	176	172.8	-99.3	0	0	0	112.2	F99 N100 L106 R107 R147	F99-Y103 VanDerWaalsContact O-CB 3.29Å; F99-Y103 WeakPolarHBondContact O-CB 3.28Å; F99-Y103 PolarHBondContact O-N 3.14Å; N100-Y103 PolarHBondContact O-N 3.47Å; Y103-L106 PolarHBondContact O-N 3.04Å; Y103-R107 WeakPolarHBondContact O-CG 3.33Å; Y103-R107 PolarHBondContact O-N 3.01Å; Y103-R107 WeakPolarHBondContact OH-CD 3.29Å; Y103-R107 PolarHBondContact OH-NH1 3.24Å; Y103-R147 HydrophobicContact CD2-CG 4.06Å; Y103-R147 HydrophobicContact CE2-CG 4.03Å
104	H	90	Very high	90.5	Very high	84 Å²	84	76 Å²	76	39%	0.389	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-38.4	177.6	-82.2	-73.7	0	0	0	112.5	N100 V101 L106 R107 L108	N100-H104 PolarHBondContact O-CD2 3.39Å; N100-H104 PolarHBondContact O-N 3.5Å; N100-H104 PolarHBondContact OD1-CD2 3.01Å; N100-H104 VanDerWaalsContact OD1-CD2 3.27Å; V101-H104 PolarHBondContact O-N 3.3Å; H104-L106 VanDerWaalsContact C-N 3.33Å; H104-L106 PolarHBondContact O-N 3.49Å; H104-R107 CarbonylContact O-C 3.56Å; H104-R107 PolarHBondContact O-N 2.95Å; H104-L108 PolarHBondContact O-N 2.91Å
105	C	92.3	Very high	91.2	Very high	28 Å²	28	78 Å²	78	19%	0.189	39%	0.39	C	S	.	.	H	α-helix	trans	-58.1	-44.3	172.6	-173.2	0	0	0	0	112	V101 R102 R107 L108 H126 F130	V101-C105 PolarHBondContact O-N 3.45Å; R102-C105 WeakPolarHBondContact O-CB 3.31Å; R102-C105 PolarHBondContact O-N 3Å; C105-R107 PolarHBondContact O-N 2.81Å; C105-L108 WeakPolarHBondContact O-CB 3.45Å; C105-L108 PolarHBondContact O-N 3.08Å; C105-H126 HydrophobicContact CB-CB 4.27Å; C105-F130 HydrophobicContact CB-CD2 3.55Å; C105-F130 HydrophobicContact CB-CE2 4.17Å
106	L	92.7	Very high	92.1	Very high	65 Å²	65	75.8 Å²	75.8	34%	0.34	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8	177.4	-66.8	174.6	0	0	0	113.8	R102 Y103 H104 F130 L143 I144	R102-L106 WeakPolarHBondContact O-CG 3.44Å; R102-L106 PolarHBondContact O-N 3.18Å; R102-L106 VanDerWaalsContact O-N 3.08Å; Y103-L106 PolarHBondContact O-N 3.04Å; H104-L106 VanDerWaalsContact C-N 3.33Å; H104-L106 PolarHBondContact O-N 3.49Å; L106-F130 HydrophobicContact CG-CE2 4.32Å; L106-L143 HydrophobicContact CD1-CD2 3.89Å; L106-L143 HydrophobicContact CD1-CG 4.34Å; L106-I144 HydrophobicContact CD1-CD1 4.18Å
107	R	92.3	Very high	92.7	Very high	137 Å²	137	79 Å²	79	52%	0.517	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	3.5	176.7	-72.5	-174.2	62.8	-170.2	-5.5	113	Y103 H104 C105 T109	Y103-R107 WeakPolarHBondContact O-CG 3.33Å; Y103-R107 PolarHBondContact O-N 3.01Å; Y103-R107 WeakPolarHBondContact OH-CD 3.29Å; Y103-R107 PolarHBondContact OH-NH1 3.24Å; H104-R107 CarbonylContact O-C 3.56Å; H104-R107 PolarHBondContact O-N 2.95Å; C105-R107 PolarHBondContact O-N 2.81Å; R107-T109 PolarHBondContact O-N 2.94Å; R107-T109 PolarHBondContact O-OG1 3.25Å
108	L	92.9	Very high	93	Very high	40 Å²	40	80.2 Å²	80.2	21%	0.209	40%	0.4	C	S	.	.			trans	-56.3	132.2	177.5	-86.1	172.4	0	0	0	110.5	H104 C105 L122 V123 H126	H104-L108 PolarHBondContact O-N 2.91Å; C105-L108 WeakPolarHBondContact O-CB 3.45Å; C105-L108 PolarHBondContact O-N 3.08Å; L108-L122 HydrophobicContact CD2-CD2 3.87Å; L108-L122 HydrophobicContact CD2-CG 4.04Å; L108-V123 HydrophobicContact CD1-CG2 4.44Å; L108-H126 HydrophobicContact CD1-CB 3.45Å; L108-H126 VanDerWaalsContact CD1-CB 3.45Å; L108-H126 VanDerWaalsContact CD1-CG 3.46Å; L108-H126 HydrophobicContact CG-CB 4.49Å
109	T	94.9	Very high	93.2	Very high	112 Å²	112	79.1 Å²	79.1	69%	0.687	39%	0.391	S	S	*	.			trans	-144.6	130.8	175.8	-60.9	0	0	0	0	107	R107 K111	R107-T109 PolarHBondContact O-N 2.94Å; R107-T109 PolarHBondContact O-OG1 3.25Å; T109-K111 PolarHBondContact O-N 2.92Å
110	K	95.5	Very high	93.4	Very high	80 Å²	80	80.8 Å²	80.8	35%	0.348	40%	0.404	S	S	.	.			trans	-63.5	129.1	176.8	-175.2	-168	157.3	-57.2	0	109.4	D114 Y119	K110-D114 WeakPolarHBondContact CE-O 3.33Å; K110-D114 HydrophobicContact CG-CB 4.44Å; K110-D114 PolarHBondContact NZ-O 3.49Å; K110-Y119 VanDerWaalsContact CA-CE2 3.41Å; K110-Y119 HydrophobicContact CB-CD1 3.85Å; K110-Y119 HydrophobicContact CB-CD2 3.68Å; K110-Y119 HydrophobicContact CB-CE1 3.87Å; K110-Y119 HydrophobicContact CB-CE2 3.72Å; K110-Y119 HydrophobicContact CB-CG 3.74Å; K110-Y119 HydrophobicContact CD-CD1 4.3Å; K110-Y119 HydrophobicContact CD-CG 4.32Å; K110-Y119 HydrophobicContact CG-CD1 4.01Å; K110-Y119 HydrophobicContact CG-CD2 3.92Å; K110-Y119 HydrophobicContact CG-CE2 4.46Å; K110-Y119 HydrophobicContact CG-CG 3.66Å; K110-Y119 VanDerWaalsContact N-CE2 3.31Å
111	K	92.6	Very high	93.5	Very high	147 Å²	147	84.2 Å²	84.2	64%	0.639	42%	0.418	S	S	*	.			trans	-71.2	157.2	173.2	-57	175	-176.7	168.9	0	110	T109 M113 D114	T109-K111 PolarHBondContact O-N 2.92Å; K111-M113 PolarHBondContact O-N 3.48Å; K111-D114 HydrophobicContact CB-CB 4.47Å; K111-D114 WeakPolarHBondContact CB-OD2 3.38Å; K111-D114 WeakPolarHBondContact CG-OD2 3.22Å; K111-D114 PolarHBondContact O-N 3.44Å
112	L	93.7	Very high	93.5	Very high	162 Å²	162	86.1 Å²	86.1	85%	0.848	43%	0.428	S	S	*	.	S	Bend	trans	-57.3	-40.2	-179.2	-176.1	62	0	0	0	112.1
113	M	93.8	Very high	93.5	Very high	169 Å²	169	87.4 Å²	87.4	83%	0.833	44%	0.438	S	S	*	.	S	Bend	trans	-87.3	-18.1	-174.3	-58	-55.8	-66.7	0	0	114.8	K111 D115	K111-M113 PolarHBondContact O-N 3.48Å; M113-D115 PolarHBondContact O-N 2.94Å
114	D	92.2	Very high	93.6	Very high	42 Å²	42	89.4 Å²	89.4	23%	0.225	45%	0.452	C	S	.	.			trans	-69.5	134.4	179.3	-61.6	-14.9	0	0	0	108.7	K110 K111	K110-D114 WeakPolarHBondContact CE-O 3.33Å; K110-D114 HydrophobicContact CG-CB 4.44Å; K110-D114 PolarHBondContact NZ-O 3.49Å; K111-D114 HydrophobicContact CB-CB 4.47Å; K111-D114 WeakPolarHBondContact CB-OD2 3.38Å; K111-D114 WeakPolarHBondContact CG-OD2 3.22Å; K111-D114 PolarHBondContact O-N 3.44Å
115	D	95.1	Very high	93.5	Very high	86 Å²	86	88.3 Å²	88.3	46%	0.46	45%	0.447	S	S	.	.			trans	-72.8	169	166.2	73.2	57.9	0	0	0	111	M113 I117 V118 Y119	M113-D115 PolarHBondContact O-N 2.94Å; D115-I117 VanDerWaalsContact C-N 3.33Å; D115-I117 PolarHBondContact O-N 2.89Å; D115-I117 WeakPolarHBondContact OD1-CA 3.17Å; D115-I117 WeakPolarHBondContact OD1-CB 3.42Å; D115-I117 PolarHBondContact OD1-N 2.9Å; D115-V118 PolarHBondContact OD1-N 3.19Å; D115-V118 WeakPolarHBondContact OD2-CG2 3.4Å; D115-Y119 WeakPolarHBondContact O-CB 3.25Å; D115-Y119 PolarHBondContact O-N 3.29Å; D115-Y119 VanDerWaalsContact O-N 3.13Å
116	I	96.5	Very high	93.4	Very high	110 Å²	110	88.5 Å²	88.5	56%	0.564	45%	0.446	S	S	*	.	H	α-helix	trans	-71.3	-27	-175.2	-167	58.1	0	0	0	113.2	Y119 T120	I116-Y119 HydrophobicContact CD1-CD1 4.31Å; I116-T120 WeakPolarHBondContact O-CB 3.42Å; I116-T120 PolarHBondContact O-N 3.28Å; I116-T120 PolarHBondContact O-OG1 2.85Å
117	I	96.2	Very high	93.4	Very high	113 Å²	113	91.2 Å²	91.2	58%	0.579	45%	0.452	S	S	*	.	H	α-helix	trans	-73	-50.9	-179.8	-61.5	175.4	0	0	0	108.8	D115 Y119 T120 E121	D115-I117 VanDerWaalsContact C-N 3.33Å; D115-I117 PolarHBondContact O-N 2.89Å; D115-I117 WeakPolarHBondContact OD1-CA 3.17Å; D115-I117 WeakPolarHBondContact OD1-CB 3.42Å; D115-I117 PolarHBondContact OD1-N 2.9Å; I117-Y119 VanDerWaalsContact C-N 3.28Å; I117-Y119 PolarHBondContact O-N 2.97Å; I117-T120 WeakPolarHBondContact O-CA 3.23Å; I117-T120 WeakPolarHBondContact O-CB 3.47Å; I117-T120 PolarHBondContact O-N 3.11Å; I117-E121 WeakPolarHBondContact O-CG 2.89Å; I117-E121 PolarHBondContact O-N 2.84Å
118	V	92.8	Very high	93.3	Very high	68 Å²	68	91.8 Å²	91.8	41%	0.412	46%	0.458	S	S	.	.	H	α-helix	trans	-57.3	-43.4	175.8	174.6	0	0	0	0	110.7	D115 T120 E121 L122	D115-V118 PolarHBondContact OD1-N 3.19Å; D115-V118 WeakPolarHBondContact OD2-CG2 3.4Å; V118-T120 VanDerWaalsContact C-N 3.33Å; V118-T120 PolarHBondContact O-N 3Å; V118-E121 PolarHBondContact O-N 3.36Å; V118-L122 PolarHBondContact O-N 3.07Å; V118-L122 VanDerWaalsContact O-N 3.08Å
119	Y	95	Very high	93	Very high	45 Å²	45	92.7 Å²	92.7	18%	0.176	46%	0.459	C	S	.	.	H	α-helix	trans	-64.7	-37.3	175.8	-177.4	-114.7	0	0	0	112.7	K110 D115 I116 I117 E121 L122 V123	K110-Y119 VanDerWaalsContact CA-CE2 3.41Å; K110-Y119 HydrophobicContact CB-CD1 3.85Å; K110-Y119 HydrophobicContact CB-CD2 3.68Å; K110-Y119 HydrophobicContact CB-CE1 3.87Å; K110-Y119 HydrophobicContact CB-CE2 3.72Å; K110-Y119 HydrophobicContact CB-CG 3.74Å; K110-Y119 HydrophobicContact CD-CD1 4.3Å; K110-Y119 HydrophobicContact CD-CG 4.32Å; K110-Y119 HydrophobicContact CG-CD1 4.01Å; K110-Y119 HydrophobicContact CG-CD2 3.92Å; K110-Y119 HydrophobicContact CG-CE2 4.46Å; K110-Y119 HydrophobicContact CG-CG 3.66Å; K110-Y119 VanDerWaalsContact N-CE2 3.31Å; D115-Y119 WeakPolarHBondContact O-CB 3.25Å; D115-Y119 PolarHBondContact O-N 3.29Å; D115-Y119 VanDerWaalsContact O-N 3.13Å; I116-Y119 HydrophobicContact CD1-CD1 4.31Å; I117-Y119 VanDerWaalsContact C-N 3.28Å; I117-Y119 PolarHBondContact O-N 2.97Å; Y119-E121 VanDerWaalsContact C-N 3.35Å; Y119-L122 HydrophobicContact CD2-CD2 4.48Å; Y119-L122 PolarHBondContact O-N 3.45Å; Y119-V123 HydrophobicContact CD1-CG2 4.19Å; Y119-V123 HydrophobicContact CE1-CG2 3.79Å; Y119-V123 HydrophobicContact CE2-CG2 4.15Å; Y119-V123 VanDerWaalsContact O-CG2 3.32Å; Y119-V123 WeakPolarHBondContact O-CG2 3.17Å; Y119-V123 PolarHBondContact O-N 2.91Å
120	T	96.3	Very high	92.9	Very high	67 Å²	67	88 Å²	88	41%	0.411	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-39	176.8	-61.5	0	0	0	0	111.6	I116 I117 V118 V123 N124	I116-T120 WeakPolarHBondContact O-CB 3.42Å; I116-T120 PolarHBondContact O-N 3.28Å; I116-T120 PolarHBondContact O-OG1 2.85Å; I117-T120 WeakPolarHBondContact O-CA 3.23Å; I117-T120 WeakPolarHBondContact O-CB 3.47Å; I117-T120 PolarHBondContact O-N 3.11Å; V118-T120 VanDerWaalsContact C-N 3.33Å; V118-T120 PolarHBondContact O-N 3Å; T120-V123 PolarHBondContact O-N 3Å; T120-N124 PolarHBondContact O-N 3.42Å; T120-N124 PolarHBondContact O-ND2 3.4Å
121	E	92.3	Very high	92.7	Very high	125 Å²	125	89.1 Å²	89.1	58%	0.584	43%	0.431	S	S	*	.	H	α-helix	trans	-61.1	-46	173.2	-68.2	176.1	173.5	0	0	111.5	I117 V118 Y119 V123 N124 Q125	I117-E121 WeakPolarHBondContact O-CG 2.89Å; I117-E121 PolarHBondContact O-N 2.84Å; V118-E121 PolarHBondContact O-N 3.36Å; Y119-E121 VanDerWaalsContact C-N 3.35Å; E121-V123 PolarHBondContact O-N 3.32Å; E121-N124 PolarHBondContact O-N 3.37Å; E121-Q125 PolarHBondContact O-N 2.93Å
122	L	90.8	Very high	92.8	Very high	54 Å²	54	86.6 Å²	86.6	28%	0.283	42%	0.424	S	S	.	.	H	α-helix	trans	-60.4	-43.6	175.3	-178.4	64.7	0	0	0	111.8	L108 V118 Y119 N124 Q125 H126	L108-L122 HydrophobicContact CD2-CD2 3.87Å; L108-L122 HydrophobicContact CD2-CG 4.04Å; V118-L122 PolarHBondContact O-N 3.07Å; V118-L122 VanDerWaalsContact O-N 3.08Å; Y119-L122 HydrophobicContact CD2-CD2 4.48Å; Y119-L122 PolarHBondContact O-N 3.45Å; L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 3.42Å; L122-Q125 WeakPolarHBondContact O-CB 3.19Å; L122-Q125 PolarHBondContact O-N 2.99Å; L122-H126 PolarHBondContact O-CD2 3.02Å; L122-H126 PolarHBondContact O-N 3.5Å
123	V	93.6	Very high	92.9	Very high	53 Å²	53	88 Å²	88	32%	0.321	42%	0.423	S	S	.	.	H	α-helix	trans	-58.9	-44.8	175.1	168.3	0	0	0	0	110.8	L108 Y119 T120 E121 Q125 H126 Y127	L108-V123 HydrophobicContact CD1-CG2 4.44Å; Y119-V123 HydrophobicContact CD1-CG2 4.19Å; Y119-V123 HydrophobicContact CE1-CG2 3.79Å; Y119-V123 HydrophobicContact CE2-CG2 4.15Å; Y119-V123 VanDerWaalsContact O-CG2 3.32Å; Y119-V123 WeakPolarHBondContact O-CG2 3.17Å; Y119-V123 PolarHBondContact O-N 2.91Å; T120-V123 PolarHBondContact O-N 3Å; E121-V123 PolarHBondContact O-N 3.32Å; V123-Q125 VanDerWaalsContact C-N 3.34Å; V123-Q125 PolarHBondContact O-N 2.82Å; V123-H126 PolarHBondContact O-N 3.25Å; V123-Y127 WeakPolarHBondContact O-CB 3.35Å; V123-Y127 PolarHBondContact O-N 3.35Å
124	N	93.2	Very high	92.9	Very high	90 Å²	90	85.6 Å²	85.6	48%	0.481	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-37.6	178.2	-76.3	-34.6	0	0	0	112.6	T120 E121 L122 Y127 K128	T120-N124 PolarHBondContact O-N 3.42Å; T120-N124 PolarHBondContact O-ND2 3.4Å; E121-N124 PolarHBondContact O-N 3.37Å; L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 3.42Å; N124-Y127 PolarHBondContact O-N 3.27Å; N124-K128 WeakPolarHBondContact O-CB 3.48Å; N124-K128 PolarHBondContact O-N 3.2Å
125	Q	89.2	Confident	93	Very high	61 Å²	61	84.8 Å²	84.8	29%	0.285	41%	0.405	S	S	.	.	H	α-helix	trans	-63.5	-47.1	175	-171.9	-174.4	30.8	0	0	111.4	N24 E121 L122 V123 K128 R129	N24-Q125 VanDerWaalsContact C-NE2 3.29Å; N24-Q125 PolarHBondContact O-NE2 2.85Å; E121-Q125 PolarHBondContact O-N 2.93Å; L122-Q125 WeakPolarHBondContact O-CB 3.19Å; L122-Q125 PolarHBondContact O-N 2.99Å; V123-Q125 VanDerWaalsContact C-N 3.34Å; V123-Q125 PolarHBondContact O-N 2.82Å; Q125-K128 PolarHBondContact O-N 3.28Å; Q125-R129 WeakPolarHBondContact O-CG 3.46Å; Q125-R129 PolarHBondContact O-N 3.26Å; Q125-R129 VanDerWaalsContact O-N 3.08Å
126	H	90.6	Very high	93	Very high	33 Å²	33	83.2 Å²	83.2	15%	0.153	40%	0.401	C	S	.	.	H	α-helix	trans	-65.4	-41.6	175.9	-86.5	-99.1	0	0	0	112.3	C105 L108 L122 V123 K128 R129 F130	C105-H126 HydrophobicContact CB-CB 4.27Å; L108-H126 HydrophobicContact CD1-CB 3.45Å; L108-H126 VanDerWaalsContact CD1-CB 3.45Å; L108-H126 VanDerWaalsContact CD1-CG 3.46Å; L108-H126 HydrophobicContact CG-CB 4.49Å; L122-H126 PolarHBondContact O-CD2 3.02Å; L122-H126 PolarHBondContact O-N 3.5Å; V123-H126 PolarHBondContact O-N 3.25Å; H126-K128 VanDerWaalsContact C-N 3.34Å; H126-K128 PolarHBondContact O-N 3.43Å; H126-R129 PolarHBondContact O-N 2.96Å; H126-F130 VanDerWaalsContact O-CB 3.31Å; H126-F130 WeakPolarHBondContact O-CB 3.38Å; H126-F130 PolarHBondContact O-N 3.42Å
127	Y	91.7	Very high	93.1	Very high	122 Å²	122	85.1 Å²	85.1	48%	0.478	41%	0.408	S	S	.	.	H	α-helix	trans	-55	-47.8	173.8	161.4	-100.2	0	0	0	111.6	V123 N124 R129 F130 L132	V123-Y127 WeakPolarHBondContact O-CB 3.35Å; V123-Y127 PolarHBondContact O-N 3.35Å; N124-Y127 PolarHBondContact O-N 3.27Å; Y127-R129 PolarHBondContact O-N 2.87Å; Y127-F130 WeakPolarHBondContact O-CB 3.31Å; Y127-F130 PolarHBondContact O-N 3.02Å; Y127-L132 HydrophobicContact CE2-CB 4.45Å; Y127-L132 HydrophobicContact CE2-CD2 4.36Å
128	K	89.4	Confident	93.1	Very high	149 Å²	149	81.7 Å²	81.7	65%	0.648	39%	0.389	S	S	*	.	H	α-helix	trans	-61.1	-45.5	177.8	-174.9	179	-179.5	179.9	0	111.4	N124 Q125 H126 F130	N124-K128 WeakPolarHBondContact O-CB 3.48Å; N124-K128 PolarHBondContact O-N 3.2Å; Q125-K128 PolarHBondContact O-N 3.28Å; H126-K128 VanDerWaalsContact C-N 3.34Å; H126-K128 PolarHBondContact O-N 3.43Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 3.46Å
129	R	87.4	Confident	93.2	Very high	59 Å²	59	80.2 Å²	80.2	22%	0.223	38%	0.378	C	S	.	.	H	α-helix	trans	-68.8	-28.5	178.7	-67.7	177.6	75.3	168.6	7.5	112.7	V22 E23 V101 Q125 H126 Y127 R131	V22-R129 PolarHBondContact O-NH1 3.42Å; V22-R129 PolarHBondContact O-NH2 3.43Å; E23-R129 PolarHBondContact O-NH1 3.46Å; V101-R129 HydrophobicContact CG1-CB 3.62Å; V101-R129 WeakPolarHBondContact CG1-O 3.44Å; Q125-R129 WeakPolarHBondContact O-CG 3.46Å; Q125-R129 PolarHBondContact O-N 3.26Å; Q125-R129 VanDerWaalsContact O-N 3.08Å; H126-R129 PolarHBondContact O-N 2.96Å; Y127-R129 PolarHBondContact O-N 2.87Å; R129-R131 PolarHBondContact O-N 3.44Å
130	F	92.7	Very high	93.3	Very high	13 Å²	13	82.3 Å²	82.3	6%	0.057	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-27.5	-179.5	-167.9	-85.1	0	0	0	113.1	R102 C105 L106 H126 Y127 K128 L132 L135	R102-F130 HydrophobicContact CB-CD2 3.92Å; R102-F130 HydrophobicContact CB-CE2 3.61Å; R102-F130 HydrophobicContact CB-CZ 4.21Å; R102-F130 HydrophobicContact CG-CD1 4.38Å; R102-F130 HydrophobicContact CG-CD2 3.72Å; R102-F130 HydrophobicContact CG-CE1 4.35Å; R102-F130 HydrophobicContact CG-CE2 3.69Å; R102-F130 HydrophobicContact CG-CG 4.09Å; R102-F130 HydrophobicContact CG-CZ 4.02Å; R102-F130 PolarHBondContact NE-O 3.45Å; C105-F130 HydrophobicContact CB-CD2 3.55Å; C105-F130 HydrophobicContact CB-CE2 4.17Å; L106-F130 HydrophobicContact CG-CE2 4.32Å; H126-F130 VanDerWaalsContact O-CB 3.31Å; H126-F130 WeakPolarHBondContact O-CB 3.38Å; H126-F130 PolarHBondContact O-N 3.42Å; Y127-F130 WeakPolarHBondContact O-CB 3.31Å; Y127-F130 PolarHBondContact O-N 3.02Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 3.46Å; F130-L132 HydrophobicContact CD1-CB 3.79Å; F130-L132 HydrophobicContact CD1-CD1 3.93Å; F130-L132 HydrophobicContact CD1-CG 4.47Å; F130-L132 HydrophobicContact CE1-CB 4.28Å; F130-L132 HydrophobicContact CE1-CD1 3.53Å; F130-L132 PolarHBondContact O-N 3.3Å; F130-L135 HydrophobicContact CE1-CD2 3.56Å; F130-L135 HydrophobicContact CZ-CD2 3.84Å
131	R	92.1	Very high	93.3	Very high	103 Å²	103	85.3 Å²	85.3	39%	0.389	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	52.7	-175.4	-55.9	-170.3	-175	-154.9	-1.8	111.7	E29 R129 K133 E134	E29-R131 IonicContact OE1-NH2 2.62Å; E29-R131 IonicContact OE2-NH2 2.69Å; R129-R131 PolarHBondContact O-N 3.44Å; R131-K133 VanDerWaalsContact C-N 3.26Å; R131-K133 PolarHBondContact O-N 3.23Å; R131-E134 HydrophobicContact CB-CB 4.29Å; R131-E134 HydrophobicContact CB-CG 4.33Å; R131-E134 WeakPolarHBondContact CD-OE2 3.5Å; R131-E134 IonicContact NH1-OE1 2.67Å; R131-E134 IonicContact NH1-OE2 2.85Å; R131-E134 WeakPolarHBondContact O-CB 3.15Å; R131-E134 PolarHBondContact O-N 2.8Å
132	L	95.1	Very high	93.6	Very high	94 Å²	94	79.4 Å²	79.4	49%	0.492	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-56.1	-38.5	-172.4	-178.4	62.5	0	0	0	113	Y127 F130 E134 L135	Y127-L132 HydrophobicContact CE2-CB 4.45Å; Y127-L132 HydrophobicContact CE2-CD2 4.36Å; F130-L132 HydrophobicContact CD1-CB 3.79Å; F130-L132 HydrophobicContact CD1-CD1 3.93Å; F130-L132 HydrophobicContact CD1-CG 4.47Å; F130-L132 HydrophobicContact CE1-CB 4.28Å; F130-L132 HydrophobicContact CE1-CD1 3.53Å; F130-L132 PolarHBondContact O-N 3.3Å; L132-E134 PolarHBondContact O-N 3.08Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 PolarHBondContact O-N 3.35Å; L132-L135 VanDerWaalsContact O-N 3.11Å
133	K	94.9	Very high	93.9	Very high	192 Å²	192	77 Å²	77	84%	0.835	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-65.3	-20.6	179.3	-61.8	-173.4	179.8	-177.1	0	113.8	R131	R131-K133 VanDerWaalsContact C-N 3.26Å; R131-K133 PolarHBondContact O-N 3.23Å
134	E	93.6	Very high	94	Very high	118 Å²	118	77.9 Å²	77.9	55%	0.551	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-92.6	-8.6	178.2	-61.9	169.7	-153.4	0	0	112.1	R131 L132 Q139	R131-E134 HydrophobicContact CB-CB 4.29Å; R131-E134 HydrophobicContact CB-CG 4.33Å; R131-E134 WeakPolarHBondContact CD-OE2 3.5Å; R131-E134 IonicContact NH1-OE1 2.67Å; R131-E134 IonicContact NH1-OE2 2.85Å; R131-E134 WeakPolarHBondContact O-CB 3.15Å; R131-E134 PolarHBondContact O-N 2.8Å; L132-E134 PolarHBondContact O-N 3.08Å; E134-Q139 PolarHBondContact O-OE1 3.39Å
135	L	94.8	Very high	94.2	Very high	25 Å²	25	76.2 Å²	76.2	13%	0.131	35%	0.345	C	S	.	.			trans	-87.3	117.3	-178.3	-177.8	70.4	0	0	0	110.3	R102 F130 L132 Q139 F140	R102-L135 VanDerWaalsContact CZ-CD1 3.47Å; F130-L135 HydrophobicContact CE1-CD2 3.56Å; F130-L135 HydrophobicContact CZ-CD2 3.84Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 PolarHBondContact O-N 3.35Å; L132-L135 VanDerWaalsContact O-N 3.11Å; L135-Q139 HydrophobicContact CD1-CB 3.44Å; L135-Q139 VanDerWaalsContact CD1-CB 3.44Å; L135-Q139 HydrophobicContact CG-CB 4.41Å; L135-F140 HydrophobicContact CD2-CB 3.89Å; L135-F140 HydrophobicContact CD2-CD2 3.84Å; L135-F140 HydrophobicContact CD2-CG 4.32Å; L135-F140 HydrophobicContact CG-CB 4.22Å
136	S	95.8	Very high	94.6	Very high	53 Å²	53	73.4 Å²	73.4	37%	0.371	33%	0.332	S	S	.	.			trans	-74.9	159.5	172	76.3	0	0	0	0	111.8	E138 Q139 F140	S136-E138 PolarHBondContact O-N 3.24Å; S136-Q139 VanDerWaalsContact N-OE1 3.16Å; S136-Q139 PolarHBondContact O-N 3Å; S136-Q139 WeakPolarHBondContact OG-CB 3.41Å; S136-Q139 VanDerWaalsContact OG-CG 3.25Å; S136-Q139 WeakPolarHBondContact OG-CG 3.41Å; S136-Q139 PolarHBondContact OG-N 3.04Å; S136-Q139 VanDerWaalsContact OG-N 3.11Å; S136-F140 PolarHBondContact O-N 2.88Å
137	E	96.6	Very high	94.8	Very high	151 Å²	151	75.9 Å²	75.9	71%	0.706	34%	0.34	S	S	*	.	H	α-helix	trans	-55	-40.3	174.2	-66	-176.3	-168.1	0	0	111.9	F140 R141	E137-F140 WeakPolarHBondContact O-CB 3.48Å; E137-F140 PolarHBondContact O-N 3.43Å; E137-R141 WeakPolarHBondContact O-CG 3.34Å; E137-R141 PolarHBondContact O-N 2.85Å
138	E	96.4	Very high	95	Very high	41 Å²	41	72.7 Å²	72.7	19%	0.192	34%	0.344	C	S	.	.	H	α-helix	trans	-73.2	-39	-177.7	-164.6	54.7	-134.9	0	0	112.3	S136 F140 R141 C142 N172 V173	S136-E138 PolarHBondContact O-N 3.24Å; E138-F140 PolarHBondContact O-N 3.41Å; E138-R141 PolarHBondContact O-N 3.36Å; E138-R141 WeakPolarHBondContact OE2-CD 3.49Å; E138-R141 IonicContact OE2-CZ 3.18Å; E138-R141 IonicContact OE2-NH1 2.82Å; E138-R141 PolarHBondContact OE2-NH1 3.15Å; E138-C142 PolarHBondContact O-N 3.49Å; E138-C142 PolarHBondContact O-SG 3.14Å; E138-N172 HydrophobicContact CG-CB 3.44Å; E138-N172 VanDerWaalsContact CG-CB 3.44Å; E138-N172 WeakPolarHBondContact OE1-CA 3.33Å; E138-N172 WeakPolarHBondContact OE1-CB 3.49Å; E138-V173 WeakPolarHBondContact OE1-CB 3.29Å; E138-V173 PolarHBondContact OE1-N 2.74Å
139	Q	95.9	Very high	95.3	Very high	36 Å²	36	66.7 Å²	66.7	17%	0.168	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-36.2	171	-73.5	173.6	-10.5	0	0	111.6	E134 L135 S136 C142 L143 P169	E134-Q139 PolarHBondContact O-OE1 3.39Å; L135-Q139 HydrophobicContact CD1-CB 3.44Å; L135-Q139 VanDerWaalsContact CD1-CB 3.44Å; L135-Q139 HydrophobicContact CG-CB 4.41Å; S136-Q139 VanDerWaalsContact N-OE1 3.16Å; S136-Q139 PolarHBondContact O-N 3Å; S136-Q139 WeakPolarHBondContact OG-CB 3.41Å; S136-Q139 VanDerWaalsContact OG-CG 3.25Å; S136-Q139 WeakPolarHBondContact OG-CG 3.41Å; S136-Q139 PolarHBondContact OG-N 3.04Å; S136-Q139 VanDerWaalsContact OG-N 3.11Å; Q139-C142 PolarHBondContact O-N 3.13Å; Q139-L143 WeakPolarHBondContact O-CB 3.41Å; Q139-L143 PolarHBondContact O-N 2.95Å; Q139-P169 WeakPolarHBondContact CG-O 3.49Å; Q139-P169 PolarHBondContact NE2-O 3.02Å
140	F	96.6	Very high	95.7	Very high	90 Å²	90	69.4 Å²	69.4	40%	0.395	33%	0.334	S	S	.	.	H	α-helix	trans	-65.2	-44.4	174.3	-178.3	-106.8	0	0	0	111.4	L135 S136 E137 E138 C142 L143 I144	L135-F140 HydrophobicContact CD2-CB 3.89Å; L135-F140 HydrophobicContact CD2-CD2 3.84Å; L135-F140 HydrophobicContact CD2-CG 4.32Å; L135-F140 HydrophobicContact CG-CB 4.22Å; S136-F140 PolarHBondContact O-N 2.88Å; E137-F140 WeakPolarHBondContact O-CB 3.48Å; E137-F140 PolarHBondContact O-N 3.43Å; E138-F140 PolarHBondContact O-N 3.41Å; F140-C142 PolarHBondContact O-N 3.05Å; F140-L143 HydrophobicContact CD2-CD2 4.35Å; F140-L143 WeakPolarHBondContact O-CB 3.31Å; F140-L143 PolarHBondContact O-N 3.31Å; F140-I144 HydrophobicContact CD1-CG1 4.24Å; F140-I144 HydrophobicContact CD2-CG1 4.38Å; F140-I144 HydrophobicContact CE1-CD1 4.4Å; F140-I144 HydrophobicContact CE1-CG1 3.87Å; F140-I144 HydrophobicContact CE2-CD1 3.98Å; F140-I144 HydrophobicContact CE2-CG1 4.03Å; F140-I144 HydrophobicContact CG-CG1 4.49Å; F140-I144 HydrophobicContact CZ-CD1 3.81Å; F140-I144 HydrophobicContact CZ-CG1 3.76Å; F140-I144 VanDerWaalsContact O-CG1 3.3Å; F140-I144 WeakPolarHBondContact O-CG1 3.25Å; F140-I144 PolarHBondContact O-N 3.36Å
141	R	97.3	Very high	95.9	Very high	129 Å²	129	71.2 Å²	71.2	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-45.7	174.4	-69.9	174.9	-174.4	157.9	0.8	112	E137 E138 L143 I144 L145	E137-R141 WeakPolarHBondContact O-CG 3.34Å; E137-R141 PolarHBondContact O-N 2.85Å; E138-R141 PolarHBondContact O-N 3.36Å; E138-R141 WeakPolarHBondContact OE2-CD 3.49Å; E138-R141 IonicContact OE2-CZ 3.18Å; E138-R141 IonicContact OE2-NH1 2.82Å; E138-R141 PolarHBondContact OE2-NH1 3.15Å; R141-L143 PolarHBondContact O-N 3.44Å; R141-I144 PolarHBondContact O-N 3.48Å; R141-L145 PolarHBondContact O-N 3.11Å
142	C	97.6	Very high	96.1	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.007	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-44.3	176.1	-66.4	0	0	0	0	112.2	E138 Q139 F140 I144 L145 V146 I165 S171 V173 L176	E138-C142 PolarHBondContact O-N 3.49Å; E138-C142 PolarHBondContact O-SG 3.14Å; Q139-C142 PolarHBondContact O-N 3.13Å; F140-C142 PolarHBondContact O-N 3.05Å; C142-I144 VanDerWaalsContact C-N 3.35Å; C142-I144 PolarHBondContact O-N 3.37Å; C142-L145 PolarHBondContact O-N 3.33Å; C142-V146 WeakPolarHBondContact O-CG2 3.38Å; C142-V146 PolarHBondContact O-N 2.8Å; C142-I165 HydrophobicContact CB-CD1 3.79Å; C142-I165 HydrophobicContact CB-CG1 4.11Å; C142-S171 PolarHBondContact SG-O 3.21Å; C142-V173 PolarHBondContact SG-N 3.37Å; C142-L176 HydrophobicContact CB-CD2 3.72Å
143	L	96.3	Very high	96.1	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-57.1	-47.5	174.2	169.1	64.9	0	0	0	111.4	F99 R102 L106 Q139 F140 R141 R147	F99-L143 HydrophobicContact CD2-CD1 3.52Å; F99-L143 HydrophobicContact CE2-CD1 3.36Å; F99-L143 HydrophobicContact CG-CD1 4.31Å; F99-L143 HydrophobicContact CZ-CD1 4.04Å; R102-L143 HydrophobicContact CB-CD1 4.39Å; R102-L143 HydrophobicContact CB-CD2 3.9Å; L106-L143 HydrophobicContact CD1-CD2 3.89Å; L106-L143 HydrophobicContact CD1-CG 4.34Å; Q139-L143 WeakPolarHBondContact O-CB 3.41Å; Q139-L143 PolarHBondContact O-N 2.95Å; F140-L143 HydrophobicContact CD2-CD2 4.35Å; F140-L143 WeakPolarHBondContact O-CB 3.31Å; F140-L143 PolarHBondContact O-N 3.31Å; R141-L143 PolarHBondContact O-N 3.44Å; L143-R147 WeakPolarHBondContact O-CB 3.25Å; L143-R147 PolarHBondContact O-N 3.07Å
144	I	97.3	Very high	96.2	Very high	71 Å²	71	63.1 Å²	63.1	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-66.3	-40.2	-179.8	-64.7	-62.4	0	0	0	111.4	L106 F140 R141 C142 R147 G148	L106-I144 HydrophobicContact CD1-CD1 4.18Å; F140-I144 HydrophobicContact CD1-CG1 4.24Å; F140-I144 HydrophobicContact CD2-CG1 4.38Å; F140-I144 HydrophobicContact CE1-CD1 4.4Å; F140-I144 HydrophobicContact CE1-CG1 3.87Å; F140-I144 HydrophobicContact CE2-CD1 3.98Å; F140-I144 HydrophobicContact CE2-CG1 4.03Å; F140-I144 HydrophobicContact CG-CG1 4.49Å; F140-I144 HydrophobicContact CZ-CD1 3.81Å; F140-I144 HydrophobicContact CZ-CG1 3.76Å; F140-I144 VanDerWaalsContact O-CG1 3.3Å; F140-I144 WeakPolarHBondContact O-CG1 3.25Å; F140-I144 PolarHBondContact O-N 3.36Å; R141-I144 PolarHBondContact O-N 3.48Å; C142-I144 VanDerWaalsContact C-N 3.35Å; C142-I144 PolarHBondContact O-N 3.37Å; I144-R147 PolarHBondContact O-N 3.02Å; I144-G148 PolarHBondContact O-N 3.03Å
145	L	97.4	Very high	96.4	Very high	55 Å²	55	59.1 Å²	59.1	29%	0.288	32%	0.322	S	S	.	.	H	α-helix	trans	-57.8	-54.8	175.1	-178.2	72.2	0	0	0	111	R141 C142 R147 G148 L161 V173 L176 V177	R141-L145 PolarHBondContact O-N 3.11Å; C142-L145 PolarHBondContact O-N 3.33Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 3.27Å; L145-G148 PolarHBondContact O-N 2.9Å; L145-L161 HydrophobicContact CD2-CD1 4.49Å; L145-V173 HydrophobicContact CB-CG2 4.38Å; L145-V173 HydrophobicContact CD2-CG2 3.89Å; L145-V173 HydrophobicContact CG-CG2 4.5Å; L145-L176 HydrophobicContact CD2-CB 3.74Å; L145-L176 HydrophobicContact CD2-CD2 3.96Å; L145-V177 HydrophobicContact CD2-CG2 4.39Å
146	V	97.1	Very high	96.4	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-36.1	-178.7	176.3	0	0	0	0	111.4	F99 C142 G148 L149 R158 L161 I165 L176	F99-V146 HydrophobicContact CE2-CB 3.94Å; F99-V146 HydrophobicContact CE2-CG1 3.8Å; F99-V146 HydrophobicContact CZ-CB 4.17Å; F99-V146 HydrophobicContact CZ-CG1 3.67Å; C142-V146 WeakPolarHBondContact O-CG2 3.38Å; C142-V146 PolarHBondContact O-N 2.8Å; V146-G148 PolarHBondContact O-N 3.23Å; V146-L149 PolarHBondContact O-N 3.49Å; V146-R158 HydrophobicContact CG1-CG 4.02Å; V146-L161 HydrophobicContact CG2-CB 3.69Å; V146-L161 HydrophobicContact CG2-CD1 4.33Å; V146-I165 HydrophobicContact CB-CD1 4.35Å; V146-I165 HydrophobicContact CG2-CD1 3.54Å; V146-L176 HydrophobicContact CG2-CD2 4.16Å
147	R	95.3	Very high	96.5	Very high	86 Å²	86	59.9 Å²	59.9	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-33.1	172.8	178.8	-172.6	176.4	-75.4	2.1	112.3	Y103 L143 I144 L145 L149 Q150	Y103-R147 HydrophobicContact CD2-CG 4.06Å; Y103-R147 HydrophobicContact CE2-CG 4.03Å; L143-R147 WeakPolarHBondContact O-CB 3.25Å; L143-R147 PolarHBondContact O-N 3.07Å; I144-R147 PolarHBondContact O-N 3.02Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 3.27Å; R147-L149 VanDerWaalsContact C-N 3.31Å; R147-Q150 WeakPolarHBondContact O-CG 3.41Å; R147-Q150 PolarHBondContact O-NE2 3.31Å
148	G	95.9	Very high	96.5	Very high	54 Å²	54	56.7 Å²	56.7	56%	0.557	30%	0.302	S	S	*	.	H	α-helix	trans	-69.3	-26	-179.7	0	0	0	0	0	113.9	I144 L145 V146 Q150	I144-G148 PolarHBondContact O-N 3.03Å; L145-G148 PolarHBondContact O-N 2.9Å; V146-G148 PolarHBondContact O-N 3.23Å; G148-Q150 PolarHBondContact O-N 3.32Å
149	L	96.2	Very high	96.5	Very high	24 Å²	24	62.8 Å²	62.8	13%	0.126	32%	0.324	C	S	.	.			trans	-77.3	60.2	179.9	-60.2	-177.7	0	0	0	111.8	V146 R147 D154 F157 R158 L161 Y180	V146-L149 PolarHBondContact O-N 3.49Å; R147-L149 VanDerWaalsContact C-N 3.31Å; L149-D154 HydrophobicContact CB-CB 3.94Å; L149-D154 HydrophobicContact CD2-CB 4.42Å; L149-F157 HydrophobicContact CD1-CB 4.41Å; L149-R158 HydrophobicContact CB-CB 4.28Å; L149-R158 WeakPolarHBondContact O-CD 3.44Å; L149-R158 PolarHBondContact O-NH1 3.18Å; L149-L161 HydrophobicContact CD1-CD1 3.8Å; L149-Y180 HydrophobicContact CD1-CD2 4.4Å; L149-Y180 HydrophobicContact CD1-CE2 4.32Å; L149-Y180 HydrophobicContact CD2-CE2 4.25Å
150	Q	94.4	Very high	96.6	Very high	115 Å²	115	65 Å²	65	54%	0.537	33%	0.331	S	S	.	.			trans	-85.2	-18.9	-174.6	-60.2	-169.2	0.1	0	0	114	R147 G148	R147-Q150 WeakPolarHBondContact O-CG 3.41Å; R147-Q150 PolarHBondContact O-NE2 3.31Å; G148-Q150 PolarHBondContact O-N 3.32Å
151	S	97	Very high	96.7	Very high	51 Å²	51	60.9 Å²	60.9	36%	0.357	31%	0.312	S	S	.	.	S	Bend	trans	-59	143.3	-179.2	-179.3	0	0	0	0	111.1	S153 D154 R158	S151-S153 WeakPolarHBondContact CB-OG 3.23Å; S151-S153 PolarHBondContact O-N 2.76Å; S151-S153 PolarHBondContact OG-N 3.13Å; S151-S153 PolarHBondContact OG-OG 3.41Å; S151-D154 WeakPolarHBondContact CB-OD2 3.35Å; S151-D154 PolarHBondContact O-N 2.94Å; S151-R158 PolarHBondContact O-NH1 3.42Å
152	P	96.8	Very high	96.6	Very high	116 Å²	116	56.7 Å²	56.7	75%	0.753	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-57	-30.8	168.7	-25.4	35.1	0	0	0	113.1	D154 A155	P152-D154 PolarHBondContact O-N 2.87Å; P152-D154 VanDerWaalsContact O-N 3.17Å; P152-A155 WeakPolarHBondContact O-CB 3.39Å; P152-A155 PolarHBondContact O-N 2.9Å
153	S	95.2	Very high	96.5	Very high	74 Å²	74	60 Å²	60	52%	0.517	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-58.9	-26.6	174.5	60.5	0	0	0	0	113	S151	S151-S153 WeakPolarHBondContact CB-OG 3.23Å; S151-S153 PolarHBondContact O-N 2.76Å; S151-S153 PolarHBondContact OG-N 3.13Å; S151-S153 PolarHBondContact OG-OG 3.41Å
154	D	97.1	Very high	96.5	Very high	29 Å²	29	61.7 Å²	61.7	16%	0.155	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-96.7	5.9	-172.7	-53.2	-21.6	0	0	0	112.2	L149 S151 P152 D156 F157 R158	L149-D154 HydrophobicContact CB-CB 3.94Å; L149-D154 HydrophobicContact CD2-CB 4.42Å; S151-D154 WeakPolarHBondContact CB-OD2 3.35Å; S151-D154 PolarHBondContact O-N 2.94Å; P152-D154 PolarHBondContact O-N 2.87Å; P152-D154 VanDerWaalsContact O-N 3.17Å; D154-D156 PolarHBondContact O-N 3.29Å; D154-F157 PolarHBondContact O-N 3.2Å; D154-R158 VanDerWaalsContact O-CB 3.31Å; D154-R158 WeakPolarHBondContact O-CB 3.24Å; D154-R158 PolarHBondContact O-N 3.2Å
155	A	96.9	Very high	96.5	Very high	35 Å²	35	59.7 Å²	59.7	29%	0.289	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-44.4	-171.8	0	0	0	0	0	113.3	P152 R159	P152-A155 WeakPolarHBondContact O-CB 3.39Å; P152-A155 PolarHBondContact O-N 2.9Å; A155-R159 WeakPolarHBondContact O-CB 3.47Å; A155-R159 PolarHBondContact O-N 3.4Å
156	D	95.8	Very high	96.2	Very high	79 Å²	79	61.8 Å²	61.8	42%	0.422	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-43.2	178.8	-59.4	-34.5	0	0	0	111.2	D154 R159 R160 K187	D154-D156 PolarHBondContact O-N 3.29Å; D156-R159 PolarHBondContact O-N 3.29Å; D156-R160 WeakPolarHBondContact O-CB 3.38Å; D156-R160 PolarHBondContact O-N 3.28Å; D156-K187 IonicContact OD2-NZ 2.83Å; D156-K187 PolarHBondContact OD2-NZ 3.37Å
157	F	97.4	Very high	96	Very high	14 Å²	14	71 Å²	71	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-50.8	177.4	-57.8	-86.5	0	0	0	110.9	L149 D154 R159 R160 L161 Y180 L183 K184 K187	L149-F157 HydrophobicContact CD1-CB 4.41Å; D154-F157 PolarHBondContact O-N 3.2Å; F157-R159 VanDerWaalsContact C-N 3.3Å; F157-R159 PolarHBondContact O-N 3.44Å; F157-R160 PolarHBondContact O-N 3.06Å; F157-L161 WeakPolarHBondContact O-CG 3.47Å; F157-L161 PolarHBondContact O-N 3.09Å; F157-Y180 HydrophobicContact CB-CD2 3.74Å; F157-Y180 HydrophobicContact CB-CE2 3.59Å; F157-Y180 HydrophobicContact CD1-CD1 4.49Å; F157-Y180 AromaticContact CD1-CD2 3.55Å; F157-Y180 HydrophobicContact CD1-CD2 3.55Å; F157-Y180 HydrophobicContact CD1-CE1 4.44Å; F157-Y180 AromaticContact CD1-CE2 3.49Å; F157-Y180 HydrophobicContact CD1-CE2 3.49Å; F157-Y180 VanDerWaalsContact CD1-CE2 3.49Å; F157-Y180 HydrophobicContact CD1-CG 4.06Å; F157-Y180 AromaticContact CD1-CZ 3.95Å; F157-Y180 HydrophobicContact CD2-CE2 4.17Å; F157-Y180 HydrophobicContact CE1-CD2 4.4Å; F157-Y180 HydrophobicContact CE1-CE1 4.42Å; F157-Y180 HydrophobicContact CE1-CE2 4.18Å; F157-Y180 AromaticContact CG-CD2 3.85Å; F157-Y180 HydrophobicContact CG-CD2 3.85Å; F157-Y180 AromaticContact CG-CE2 3.48Å; F157-Y180 HydrophobicContact CG-CE2 3.48Å; F157-Y180 VanDerWaalsContact CG-CE2 3.48Å; F157-L183 HydrophobicContact CD1-CB 4.21Å; F157-L183 HydrophobicContact CD1-CD2 3.72Å; F157-L183 HydrophobicContact CD1-CG 4.21Å; F157-L183 HydrophobicContact CE1-CB 4.19Å; F157-L183 HydrophobicContact CE1-CD2 4.2Å; F157-L183 HydrophobicContact CE1-CG 4.22Å; F157-L183 HydrophobicContact CG-CD2 4.23Å; F157-K184 HydrophobicContact CE1-CB 3.93Å; F157-K184 HydrophobicContact CZ-CB 4.28Å; F157-K184 HydrophobicContact CZ-CG 4.5Å; F157-K187 HydrophobicContact CZ-CD 4.49Å
158	R	97.2	Very high	96	Very high	84 Å²	84	70.1 Å²	70.1	32%	0.317	36%	0.358	S	S	.	.	H	α-helix	trans	-55	-45.3	177	-179.4	171.6	63.1	-104.9	3.2	111.4	V146 L149 S151 D154 L162	V146-R158 HydrophobicContact CG1-CG 4.02Å; L149-R158 HydrophobicContact CB-CB 4.28Å; L149-R158 WeakPolarHBondContact O-CD 3.44Å; L149-R158 PolarHBondContact O-NH1 3.18Å; S151-R158 PolarHBondContact O-NH1 3.42Å; D154-R158 VanDerWaalsContact O-CB 3.31Å; D154-R158 WeakPolarHBondContact O-CB 3.24Å; D154-R158 PolarHBondContact O-N 3.2Å; R158-L162 WeakPolarHBondContact O-CB 3.48Å; R158-L162 PolarHBondContact O-N 3.28Å
159	R	96.9	Very high	95.6	Very high	170 Å²	170	71.2 Å²	71.2	64%	0.642	36%	0.355	S	S	*	.	H	α-helix	trans	-60.2	-46.2	176	-176.8	-175.6	-65.3	177.9	0.6	111.3	A155 D156 F157 Q163	A155-R159 WeakPolarHBondContact O-CB 3.47Å; A155-R159 PolarHBondContact O-N 3.4Å; D156-R159 PolarHBondContact O-N 3.29Å; F157-R159 VanDerWaalsContact C-N 3.3Å; F157-R159 PolarHBondContact O-N 3.44Å; R159-Q163 WeakPolarHBondContact O-CG 3.15Å; R159-Q163 PolarHBondContact O-N 3.21Å; R159-Q163 VanDerWaalsContact O-N 3.13Å
160	R	97.2	Very high	95.5	Very high	83 Å²	83	78.8 Å²	78.8	31%	0.313	39%	0.387	S	S	.	.	H	α-helix	trans	-66	-46.8	-178.3	-178.8	56.5	177.1	177.3	1.4	112.5	D156 F157 L162 Q163 M164 E179 L183	D156-R160 WeakPolarHBondContact O-CB 3.38Å; D156-R160 PolarHBondContact O-N 3.28Å; F157-R160 PolarHBondContact O-N 3.06Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.99Å; R160-Q163 WeakPolarHBondContact O-CB 3.35Å; R160-Q163 PolarHBondContact O-N 3.22Å; R160-M164 PolarHBondContact O-N 2.67Å; R160-M164 VanDerWaalsContact O-N 3.14Å; R160-E179 HydrophobicContact CG-CG 3.97Å; R160-E179 IonicContact CZ-OE1 3.58Å; R160-E179 IonicContact NE-OE1 3.23Å; R160-E179 PolarHBondContact NE-OE1 3.33Å; R160-E179 IonicContact NH2-OE1 3.96Å; R160-E179 PolarHBondContact NH2-OE1 3.08Å; R160-L183 HydrophobicContact CB-CD2 3.85Å; R160-L183 HydrophobicContact CG-CD2 4.14Å
161	L	98	Very high	95.5	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-36.7	179.2	-60.5	-170.4	0	0	0	111.7	L145 V146 L149 F157 Q163 M164 I165 L176 E179 Y180	L145-L161 HydrophobicContact CD2-CD1 4.49Å; V146-L161 HydrophobicContact CG2-CB 3.69Å; V146-L161 HydrophobicContact CG2-CD1 4.33Å; L149-L161 HydrophobicContact CD1-CD1 3.8Å; F157-L161 WeakPolarHBondContact O-CG 3.47Å; F157-L161 PolarHBondContact O-N 3.09Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 3.42Å; L161-M164 HydrophobicContact CD2-SD 4.12Å; L161-M164 WeakPolarHBondContact O-CB 3.39Å; L161-M164 PolarHBondContact O-N 3.28Å; L161-M164 VanDerWaalsContact O-N 3.16Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 3.4Å; L161-I165 VanDerWaalsContact O-N 3.08Å; L161-L176 HydrophobicContact CB-CG 4.44Å; L161-L176 HydrophobicContact CD1-CB 4.38Å; L161-L176 HydrophobicContact CD2-CB 4.18Å; L161-L176 HydrophobicContact CD2-CG 4.2Å; L161-L176 VanDerWaalsContact CD2-O 3.28Å; L161-L176 WeakPolarHBondContact CD2-O 3.41Å; L161-E179 HydrophobicContact CD2-CB 4.06Å; L161-E179 HydrophobicContact CD2-CG 4.15Å; L161-Y180 HydrophobicContact CD1-CD2 4.33Å
162	L	96.2	Very high	95.4	Very high	41 Å²	41	73.3 Å²	73.3	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-43.7	174	-175.6	64.7	0	0	0	111.6	F99 R158 R160 M164 I165 E166	F99-L162 HydrophobicContact CB-CD1 3.65Å; F99-L162 HydrophobicContact CD1-CD1 3.41Å; F99-L162 VanDerWaalsContact CD1-CD1 3.41Å; F99-L162 HydrophobicContact CD2-CD1 3.46Å; F99-L162 VanDerWaalsContact CD2-CD1 3.46Å; F99-L162 HydrophobicContact CE1-CD1 3.88Å; F99-L162 HydrophobicContact CE2-CD1 3.9Å; F99-L162 HydrophobicContact CG-CD1 3.2Å; F99-L162 HydrophobicContact CZ-CD1 4.11Å; R158-L162 WeakPolarHBondContact O-CB 3.48Å; R158-L162 PolarHBondContact O-N 3.28Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.99Å; L162-M164 VanDerWaalsContact C-N 3.28Å; L162-M164 PolarHBondContact O-N 3.49Å; L162-I165 PolarHBondContact O-N 3.02Å; L162-E166 WeakPolarHBondContact O-CG 3.47Å; L162-E166 PolarHBondContact O-N 3.48Å
163	Q	95.9	Very high	95.5	Very high	71 Å²	71	69.3 Å²	69.3	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-35.4	175.1	-72.2	172.9	-5.3	0	0	112.6	R159 R160 L161 R167	R159-Q163 WeakPolarHBondContact O-CG 3.15Å; R159-Q163 PolarHBondContact O-N 3.21Å; R159-Q163 VanDerWaalsContact O-N 3.13Å; R160-Q163 WeakPolarHBondContact O-CB 3.35Å; R160-Q163 PolarHBondContact O-N 3.22Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 3.42Å; Q163-R167 WeakPolarHBondContact O-CB 3.36Å; Q163-R167 WeakPolarHBondContact O-CD 3.33Å; Q163-R167 WeakPolarHBondContact O-CG 3.43Å; Q163-R167 PolarHBondContact O-N 2.81Å; Q163-R167 VanDerWaalsContact O-N 3.11Å
164	M	96.6	Very high	95.6	Very high	40 Å²	40	73 Å²	73	20%	0.197	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-51.9	175.3	-71.3	178.5	71.7	0	0	111.2	R160 L161 L162 E166 R167 D168 D175 L176 E179	R160-M164 PolarHBondContact O-N 2.67Å; R160-M164 VanDerWaalsContact O-N 3.14Å; L161-M164 HydrophobicContact CD2-SD 4.12Å; L161-M164 WeakPolarHBondContact O-CB 3.39Å; L161-M164 PolarHBondContact O-N 3.28Å; L161-M164 VanDerWaalsContact O-N 3.16Å; L162-M164 VanDerWaalsContact C-N 3.28Å; L162-M164 PolarHBondContact O-N 3.49Å; M164-E166 VanDerWaalsContact C-N 3.26Å; M164-E166 PolarHBondContact O-N 3.26Å; M164-R167 PolarHBondContact O-N 3.48Å; M164-R167 VanDerWaalsContact O-N 3.11Å; M164-D168 PolarHBondContact O-N 3Å; M164-D175 HydrophobicContact CE-CB 4.43Å; M164-L176 HydrophobicContact CE-CD1 4.27Å; M164-E179 HydrophobicContact CE-CB 3.97Å; M164-E179 HydrophobicContact CE-CG 4.44Å; M164-E179 HydrophobicContact SD-CB 3.41Å; M164-E179 WeakPolarHBondContact SD-CB 3.45Å; M164-E179 HydrophobicContact SD-CG 3.38Å; M164-E179 WeakPolarHBondContact SD-CG 3.32Å
165	I	95.2	Very high	95.7	Very high	30 Å²	30	74.2 Å²	74.2	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-38	-179.7	-62.3	170.8	0	0	0	111.5	C142 V146 L161 L162 L176	C142-I165 HydrophobicContact CB-CD1 3.79Å; C142-I165 HydrophobicContact CB-CG1 4.11Å; V146-I165 HydrophobicContact CB-CD1 4.35Å; V146-I165 HydrophobicContact CG2-CD1 3.54Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 3.4Å; L161-I165 VanDerWaalsContact O-N 3.08Å; L162-I165 PolarHBondContact O-N 3.02Å; I165-L176 HydrophobicContact CD1-CD2 3.85Å; I165-L176 HydrophobicContact CG1-CD1 4.41Å; I165-L176 HydrophobicContact CG1-CD2 3.94Å
166	E	92.2	Very high	95.7	Very high	99 Å²	99	72.5 Å²	72.5	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-72.5	-30.2	179	-73.3	-177.4	166.2	0	0	113.2	S97 L162 M164	S97-E166 WeakPolarHBondContact CB-OE1 3.22Å; S97-E166 PolarHBondContact OG-OE1 2.88Å; L162-E166 WeakPolarHBondContact O-CG 3.47Å; L162-E166 PolarHBondContact O-N 3.48Å; M164-E166 VanDerWaalsContact C-N 3.26Å; M164-E166 PolarHBondContact O-N 3.26Å
167	R	93.1	Very high	95.8	Very high	194 Å²	194	71.7 Å²	71.7	73%	0.732	33%	0.329	S	S	*	.	H	α-helix	trans	-86.1	-36.7	-179.6	-74	175.5	179.5	-162.8	-0.7	113	Q163 M164	Q163-R167 WeakPolarHBondContact O-CB 3.36Å; Q163-R167 WeakPolarHBondContact O-CD 3.33Å; Q163-R167 WeakPolarHBondContact O-CG 3.43Å; Q163-R167 PolarHBondContact O-N 2.81Å; Q163-R167 VanDerWaalsContact O-N 3.11Å; M164-R167 PolarHBondContact O-N 3.48Å; M164-R167 VanDerWaalsContact O-N 3.11Å
168	D	94.2	Very high	95.8	Very high	68 Å²	68	77.9 Å²	77.9	36%	0.364	36%	0.358	S	S	.	.			trans	-128.6	97.2	-178.7	176.6	25.8	0	0	0	110.9	M164 K170 S171	M164-D168 PolarHBondContact O-N 3Å; D168-K170 PolarHBondContact O-N 3.38Å; D168-K170 WeakPolarHBondContact OD1-CB 3.35Å; D168-K170 PolarHBondContact OD1-N 3.23Å; D168-S171 WeakPolarHBondContact CB-OG 3.47Å; D168-S171 WeakPolarHBondContact O-CB 3.27Å; D168-S171 PolarHBondContact O-N 3.27Å; D168-S171 VanDerWaalsContact O-N 3.11Å; D168-S171 PolarHBondContact O-OG 3.23Å; D168-S171 PolarHBondContact OD2-N 2.98Å; D168-S171 PolarHBondContact OD2-OG 3.41Å
169	P	88.7	Confident	95.9	Very high	77 Å²	77	74.9 Å²	74.9	50%	0.5	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.7	176.5	-23.3	34.4	0	0	0	114.7	Q139	Q139-P169 WeakPolarHBondContact CG-O 3.49Å; Q139-P169 PolarHBondContact NE2-O 3.02Å
170	K	93.3	Very high	95.9	Very high	182 Å²	182	69.5 Å²	69.5	79%	0.791	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-7.4	177.4	-61.4	179.3	174.7	177.5	0	113.4	D168 N172	D168-K170 PolarHBondContact O-N 3.38Å; D168-K170 WeakPolarHBondContact OD1-CB 3.35Å; D168-K170 PolarHBondContact OD1-N 3.23Å; K170-N172 PolarHBondContact O-N 2.7Å
171	S	94.1	Very high	96	Very high	8 Å²	8	70.1 Å²	70.1	6%	0.056	33%	0.334	C	S	.	.			trans	-55.3	138.1	176.7	-66.3	0	0	0	0	110.6	C142 D168 D175	C142-S171 PolarHBondContact SG-O 3.21Å; D168-S171 WeakPolarHBondContact CB-OG 3.47Å; D168-S171 WeakPolarHBondContact O-CB 3.27Å; D168-S171 PolarHBondContact O-N 3.27Å; D168-S171 VanDerWaalsContact O-N 3.11Å; D168-S171 PolarHBondContact O-OG 3.23Å; D168-S171 PolarHBondContact OD2-N 2.98Å; D168-S171 PolarHBondContact OD2-OG 3.41Å; S171-D175 WeakPolarHBondContact CA-OD2 3.19Å
172	N	96.5	Very high	95.9	Very high	44 Å²	44	75.4 Å²	75.4	24%	0.235	35%	0.354	C	S	.	.			trans	-109.8	169.1	177.9	71.7	67.3	0	0	0	111.7	E138 K170 F174 D175 L176	E138-N172 HydrophobicContact CG-CB 3.44Å; E138-N172 VanDerWaalsContact CG-CB 3.44Å; E138-N172 WeakPolarHBondContact OE1-CA 3.33Å; E138-N172 WeakPolarHBondContact OE1-CB 3.49Å; K170-N172 PolarHBondContact O-N 2.7Å; N172-F174 PolarHBondContact O-N 3.26Å; N172-F174 WeakPolarHBondContact OD1-CA 3.43Å; N172-F174 VanDerWaalsContact OD1-CB 3.24Å; N172-F174 WeakPolarHBondContact OD1-CB 3.46Å; N172-F174 PolarHBondContact OD1-N 2.98Å; N172-D175 VanDerWaalsContact CG-OD2 3.27Å; N172-D175 PolarHBondContact N-OD2 3.15Å; N172-D175 PolarHBondContact ND2-OD1 3.39Å; N172-D175 PolarHBondContact ND2-OD2 3.44Å; N172-D175 WeakPolarHBondContact O-CB 3.21Å; N172-D175 PolarHBondContact O-N 3.45Å; N172-D175 VanDerWaalsContact O-N 3.15Å; N172-D175 PolarHBondContact OD1-N 2.94Å; N172-D175 VanDerWaalsContact OD1-N 3.14Å; N172-L176 WeakPolarHBondContact O-CD1 3.14Å; N172-L176 PolarHBondContact O-N 3.12Å
173	V	97.7	Very high	95.9	Very high	32 Å²	32	75.1 Å²	75.1	19%	0.194	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-32.6	-176.2	74.3	0	0	0	0	112.4	E138 C142 L145 L176 V177	E138-V173 WeakPolarHBondContact OE1-CB 3.29Å; E138-V173 PolarHBondContact OE1-N 2.74Å; C142-V173 PolarHBondContact SG-N 3.37Å; L145-V173 HydrophobicContact CB-CG2 4.38Å; L145-V173 HydrophobicContact CD2-CG2 3.89Å; L145-V173 HydrophobicContact CG-CG2 4.5Å; V173-L176 PolarHBondContact O-N 3.42Å; V173-V177 VanDerWaalsContact O-CG2 3.29Å; V173-V177 WeakPolarHBondContact O-CG2 3.16Å; V173-V177 PolarHBondContact O-N 3.02Å
174	F	97.9	Very high	95.9	Very high	151 Å²	151	77.3 Å²	77.3	66%	0.662	36%	0.36	S	S	*	.	H	α-helix	trans	-72.5	-40.2	178.6	-58	-74.4	0	0	0	111.7	N172 L176 V177 E178	N172-F174 PolarHBondContact O-N 3.26Å; N172-F174 WeakPolarHBondContact OD1-CA 3.43Å; N172-F174 VanDerWaalsContact OD1-CB 3.24Å; N172-F174 WeakPolarHBondContact OD1-CB 3.46Å; N172-F174 PolarHBondContact OD1-N 2.98Å; F174-L176 PolarHBondContact O-N 2.8Å; F174-V177 PolarHBondContact O-N 3.33Å; F174-V177 VanDerWaalsContact O-N 3.12Å; F174-E178 WeakPolarHBondContact O-CB 2.95Å; F174-E178 PolarHBondContact O-N 3.01Å
175	D	97.9	Very high	95.8	Very high	54 Å²	54	78.6 Å²	78.6	29%	0.289	37%	0.373	S	S	.	.	H	α-helix	trans	-57.8	-41	173.7	-50.7	-28	0	0	0	110.5	M164 S171 N172 E178 E179	M164-D175 HydrophobicContact CE-CB 4.43Å; S171-D175 WeakPolarHBondContact CA-OD2 3.19Å; N172-D175 VanDerWaalsContact CG-OD2 3.27Å; N172-D175 PolarHBondContact N-OD2 3.15Å; N172-D175 PolarHBondContact ND2-OD1 3.39Å; N172-D175 PolarHBondContact ND2-OD2 3.44Å; N172-D175 WeakPolarHBondContact O-CB 3.21Å; N172-D175 PolarHBondContact O-N 3.45Å; N172-D175 VanDerWaalsContact O-N 3.15Å; N172-D175 PolarHBondContact OD1-N 2.94Å; N172-D175 VanDerWaalsContact OD1-N 3.14Å; D175-E178 PolarHBondContact O-N 3.34Å; D175-E179 PolarHBondContact O-N 2.69Å
176	L	98.1	Very high	95.8	Very high	0 Å²	0	80.4 Å²	80.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-40	176.9	-88.5	55.9	0	0	0	112.1	C142 L145 V146 L161 M164 I165 N172 V173 F174 E179 Y180	C142-L176 HydrophobicContact CB-CD2 3.72Å; L145-L176 HydrophobicContact CD2-CB 3.74Å; L145-L176 HydrophobicContact CD2-CD2 3.96Å; V146-L176 HydrophobicContact CG2-CD2 4.16Å; L161-L176 HydrophobicContact CB-CG 4.44Å; L161-L176 HydrophobicContact CD1-CB 4.38Å; L161-L176 HydrophobicContact CD2-CB 4.18Å; L161-L176 HydrophobicContact CD2-CG 4.2Å; L161-L176 VanDerWaalsContact CD2-O 3.28Å; L161-L176 WeakPolarHBondContact CD2-O 3.41Å; M164-L176 HydrophobicContact CE-CD1 4.27Å; I165-L176 HydrophobicContact CD1-CD2 3.85Å; I165-L176 HydrophobicContact CG1-CD1 4.41Å; I165-L176 HydrophobicContact CG1-CD2 3.94Å; N172-L176 WeakPolarHBondContact O-CD1 3.14Å; N172-L176 PolarHBondContact O-N 3.12Å; V173-L176 PolarHBondContact O-N 3.42Å; F174-L176 PolarHBondContact O-N 2.8Å; L176-E179 PolarHBondContact O-N 3.31Å; L176-Y180 VanDerWaalsContact O-CB 3.32Å; L176-Y180 WeakPolarHBondContact O-CB 3.47Å; L176-Y180 PolarHBondContact O-N 3.4Å
177	V	97.9	Very high	95.8	Very high	62 Å²	62	80.7 Å²	80.7	38%	0.376	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-42.2	176.4	168.8	0	0	0	0	110.8	L145 V173 F174 E179 Y180 Q181	L145-V177 HydrophobicContact CD2-CG2 4.39Å; V173-V177 VanDerWaalsContact O-CG2 3.29Å; V173-V177 WeakPolarHBondContact O-CG2 3.16Å; V173-V177 PolarHBondContact O-N 3.02Å; F174-V177 PolarHBondContact O-N 3.33Å; F174-V177 VanDerWaalsContact O-N 3.12Å; V177-E179 VanDerWaalsContact C-N 3.35Å; V177-Y180 WeakPolarHBondContact O-CB 3.34Å; V177-Y180 PolarHBondContact O-N 2.98Å; V177-Q181 WeakPolarHBondContact O-CG 3.19Å; V177-Q181 PolarHBondContact O-N 3.45Å
178	E	97.9	Very high	95.7	Very high	144 Å²	144	77.7 Å²	77.7	67%	0.673	38%	0.38	S	S	*	.	H	α-helix	trans	-59	-47.7	175	-174.1	-179.3	169.6	0	0	110.6	F174 D175 Y180 Q181 R182	F174-E178 WeakPolarHBondContact O-CB 2.95Å; F174-E178 PolarHBondContact O-N 3.01Å; D175-E178 PolarHBondContact O-N 3.34Å; E178-Y180 VanDerWaalsContact C-N 3.31Å; E178-Y180 PolarHBondContact O-N 3.48Å; E178-Q181 PolarHBondContact O-N 3.09Å; E178-R182 WeakPolarHBondContact O-CB 3.38Å; E178-R182 PolarHBondContact O-N 3.39Å
179	E	97.8	Very high	95.6	Very high	20 Å²	20	78.9 Å²	78.9	9%	0.093	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-40	176.5	-177.6	71	169	0	0	111.9	R160 L161 M164 D175 L176 V177 Q181 R182 L183	R160-E179 HydrophobicContact CG-CG 3.97Å; R160-E179 IonicContact CZ-OE1 3.58Å; R160-E179 IonicContact NE-OE1 3.23Å; R160-E179 PolarHBondContact NE-OE1 3.33Å; R160-E179 IonicContact NH2-OE1 3.96Å; R160-E179 PolarHBondContact NH2-OE1 3.08Å; L161-E179 HydrophobicContact CD2-CB 4.06Å; L161-E179 HydrophobicContact CD2-CG 4.15Å; M164-E179 HydrophobicContact CE-CB 3.97Å; M164-E179 HydrophobicContact CE-CG 4.44Å; M164-E179 HydrophobicContact SD-CB 3.41Å; M164-E179 WeakPolarHBondContact SD-CB 3.45Å; M164-E179 HydrophobicContact SD-CG 3.38Å; M164-E179 WeakPolarHBondContact SD-CG 3.32Å; D175-E179 PolarHBondContact O-N 2.69Å; L176-E179 PolarHBondContact O-N 3.31Å; V177-E179 VanDerWaalsContact C-N 3.35Å; E179-Q181 VanDerWaalsContact C-N 3.32Å; E179-Q181 PolarHBondContact O-N 3.16Å; E179-R182 PolarHBondContact O-N 2.94Å; E179-R182 IonicContact OE1-CZ 3.61Å; E179-R182 IonicContact OE1-NE 3.65Å; E179-R182 IonicContact OE1-NH2 2.72Å; E179-R182 PolarHBondContact OE1-NH2 3.49Å; E179-R182 IonicContact OE2-CZ 3.46Å; E179-R182 IonicContact OE2-NE 2.72Å; E179-R182 PolarHBondContact OE2-NE 3.38Å; E179-R182 IonicContact OE2-NH2 3.35Å; E179-R182 PolarHBondContact OE2-NH2 3.38Å; E179-L183 VanDerWaalsContact O-CB 3.31Å; E179-L183 WeakPolarHBondContact O-CB 3.4Å; E179-L183 PolarHBondContact O-N 3.01Å
180	Y	98.1	Very high	95.7	Very high	57 Å²	57	77.4 Å²	77.4	22%	0.224	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-47.1	176.1	-177.4	-81.6	0	0	0	110.9	L149 F157 L161 L176 V177 E178 L183 K184	L149-Y180 HydrophobicContact CD1-CD2 4.4Å; L149-Y180 HydrophobicContact CD1-CE2 4.32Å; L149-Y180 HydrophobicContact CD2-CE2 4.25Å; F157-Y180 HydrophobicContact CB-CD2 3.74Å; F157-Y180 HydrophobicContact CB-CE2 3.59Å; F157-Y180 HydrophobicContact CD1-CD1 4.49Å; F157-Y180 AromaticContact CD1-CD2 3.55Å; F157-Y180 HydrophobicContact CD1-CD2 3.55Å; F157-Y180 HydrophobicContact CD1-CE1 4.44Å; F157-Y180 AromaticContact CD1-CE2 3.49Å; F157-Y180 HydrophobicContact CD1-CE2 3.49Å; F157-Y180 VanDerWaalsContact CD1-CE2 3.49Å; F157-Y180 HydrophobicContact CD1-CG 4.06Å; F157-Y180 AromaticContact CD1-CZ 3.95Å; F157-Y180 HydrophobicContact CD2-CE2 4.17Å; F157-Y180 HydrophobicContact CE1-CD2 4.4Å; F157-Y180 HydrophobicContact CE1-CE1 4.42Å; F157-Y180 HydrophobicContact CE1-CE2 4.18Å; F157-Y180 AromaticContact CG-CD2 3.85Å; F157-Y180 HydrophobicContact CG-CD2 3.85Å; F157-Y180 AromaticContact CG-CE2 3.48Å; F157-Y180 HydrophobicContact CG-CE2 3.48Å; F157-Y180 VanDerWaalsContact CG-CE2 3.48Å; L161-Y180 HydrophobicContact CD1-CD2 4.33Å; L176-Y180 VanDerWaalsContact O-CB 3.32Å; L176-Y180 WeakPolarHBondContact O-CB 3.47Å; L176-Y180 PolarHBondContact O-N 3.4Å; V177-Y180 WeakPolarHBondContact O-CB 3.34Å; V177-Y180 PolarHBondContact O-N 2.98Å; E178-Y180 VanDerWaalsContact C-N 3.31Å; E178-Y180 PolarHBondContact O-N 3.48Å; Y180-L183 PolarHBondContact O-N 2.82Å; Y180-K184 WeakPolarHBondContact O-CB 3.43Å; Y180-K184 PolarHBondContact O-N 3.23Å
181	Q	97.8	Very high	95.6	Very high	96 Å²	96	69.9 Å²	69.9	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-66.1	-44	177.8	-64.1	-57	-17.7	0	0	111.7	V177 E178 E179 L183 K184 S185	V177-Q181 WeakPolarHBondContact O-CG 3.19Å; V177-Q181 PolarHBondContact O-N 3.45Å; E178-Q181 PolarHBondContact O-N 3.09Å; E179-Q181 VanDerWaalsContact C-N 3.32Å; E179-Q181 PolarHBondContact O-N 3.16Å; Q181-L183 VanDerWaalsContact C-N 3.32Å; Q181-L183 PolarHBondContact O-N 2.9Å; Q181-K184 WeakPolarHBondContact O-CB 3.32Å; Q181-K184 PolarHBondContact O-N 2.96Å; Q181-K184 VanDerWaalsContact O-N 3.15Å; Q181-S185 PolarHBondContact O-N 2.99Å; Q181-S185 PolarHBondContact O-OG 3.33Å
182	R	97.2	Very high	95.2	Very high	114 Å²	114	72.1 Å²	72.1	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-57.8	-46	176.3	-167.3	-164.7	68.1	73.5	4.6	111.2	E178 E179 K184 S185 V186	E178-R182 WeakPolarHBondContact O-CB 3.38Å; E178-R182 PolarHBondContact O-N 3.39Å; E179-R182 PolarHBondContact O-N 2.94Å; E179-R182 IonicContact OE1-CZ 3.61Å; E179-R182 IonicContact OE1-NE 3.65Å; E179-R182 IonicContact OE1-NH2 2.72Å; E179-R182 PolarHBondContact OE1-NH2 3.49Å; E179-R182 IonicContact OE2-CZ 3.46Å; E179-R182 IonicContact OE2-NE 2.72Å; E179-R182 PolarHBondContact OE2-NE 3.38Å; E179-R182 IonicContact OE2-NH2 3.35Å; E179-R182 PolarHBondContact OE2-NH2 3.38Å; R182-K184 VanDerWaalsContact C-N 3.31Å; R182-K184 PolarHBondContact O-N 3.38Å; R182-S185 PolarHBondContact O-N 2.77Å; R182-V186 WeakPolarHBondContact O-CG2 3.26Å; R182-V186 PolarHBondContact O-N 3.33Å
183	L	96	Very high	94.7	Very high	35 Å²	35	74.4 Å²	74.4	18%	0.183	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-36.4	178.7	-170.3	66.5	0	0	0	111.7	F157 R160 E179 Y180 Q181 V186 K187	F157-L183 HydrophobicContact CD1-CB 4.21Å; F157-L183 HydrophobicContact CD1-CD2 3.72Å; F157-L183 HydrophobicContact CD1-CG 4.21Å; F157-L183 HydrophobicContact CE1-CB 4.19Å; F157-L183 HydrophobicContact CE1-CD2 4.2Å; F157-L183 HydrophobicContact CE1-CG 4.22Å; F157-L183 HydrophobicContact CG-CD2 4.23Å; R160-L183 HydrophobicContact CB-CD2 3.85Å; R160-L183 HydrophobicContact CG-CD2 4.14Å; E179-L183 VanDerWaalsContact O-CB 3.31Å; E179-L183 WeakPolarHBondContact O-CB 3.4Å; E179-L183 PolarHBondContact O-N 3.01Å; Y180-L183 PolarHBondContact O-N 2.82Å; Q181-L183 VanDerWaalsContact C-N 3.32Å; Q181-L183 PolarHBondContact O-N 2.9Å; L183-V186 PolarHBondContact O-N 3.48Å; L183-K187 WeakPolarHBondContact O-CB 3.41Å; L183-K187 PolarHBondContact O-N 2.85Å
184	K	95.7	Very high	94	Very high	116 Å²	116	78.9 Å²	78.9	50%	0.504	40%	0.404	S	S	.	.	H	α-helix	trans	-61.8	-45.4	175	-170	-179.6	178.3	-175.2	0	111.2	F157 Y180 Q181 R182 K187 H188	F157-K184 HydrophobicContact CE1-CB 3.93Å; F157-K184 HydrophobicContact CZ-CB 4.28Å; F157-K184 HydrophobicContact CZ-CG 4.5Å; Y180-K184 WeakPolarHBondContact O-CB 3.43Å; Y180-K184 PolarHBondContact O-N 3.23Å; Q181-K184 WeakPolarHBondContact O-CB 3.32Å; Q181-K184 PolarHBondContact O-N 2.96Å; Q181-K184 VanDerWaalsContact O-N 3.15Å; R182-K184 VanDerWaalsContact C-N 3.31Å; R182-K184 PolarHBondContact O-N 3.38Å; K184-K187 PolarHBondContact O-N 2.69Å; K184-H188 PolarHBondContact O-N 2.84Å; K184-H188 VanDerWaalsContact O-N 3.11Å
185	S	95.3	Very high	93	Very high	67 Å²	67	77.1 Å²	77.1	47%	0.469	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-47.3	175.1	-58.1	0	0	0	0	111.7	Q181 R182 K187 H188 D189	Q181-S185 PolarHBondContact O-N 2.99Å; Q181-S185 PolarHBondContact O-OG 3.33Å; R182-S185 PolarHBondContact O-N 2.77Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 3.21Å; S185-H188 WeakPolarHBondContact O-CB 3.34Å; S185-H188 PolarHBondContact O-N 3.23Å; S185-H188 VanDerWaalsContact O-N 3.12Å; S185-D189 VanDerWaalsContact O-CG 3.24Å; S185-D189 PolarHBondContact O-N 3.05Å
186	V	94.1	Very high	91.9	Very high	68 Å²	68	79.5 Å²	79.5	41%	0.412	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-39.8	177.4	170.5	0	0	0	0	111.9	R182 L183 D189 A190	R182-V186 WeakPolarHBondContact O-CG2 3.26Å; R182-V186 PolarHBondContact O-N 3.33Å; L183-V186 PolarHBondContact O-N 3.48Å; V186-D189 PolarHBondContact O-N 3.39Å; V186-A190 WeakPolarHBondContact O-CB 3.13Å; V186-A190 PolarHBondContact O-N 3.19Å
187	K	92	Very high	90.5	Very high	105 Å²	105	84.1 Å²	84.1	46%	0.457	44%	0.442	S	S	.	.	H	α-helix	trans	-65.7	-39.2	177.9	-170.4	167.5	-176.1	162.2	0	112	D156 F157 L183 K184 S185 G191	D156-K187 IonicContact OD2-NZ 2.83Å; D156-K187 PolarHBondContact OD2-NZ 3.37Å; F157-K187 HydrophobicContact CZ-CD 4.49Å; L183-K187 WeakPolarHBondContact O-CB 3.41Å; L183-K187 PolarHBondContact O-N 2.85Å; K184-K187 PolarHBondContact O-N 2.69Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 3.21Å; K187-G191 PolarHBondContact O-N 2.77Å
188	H	91.2	Very high	89.3	Confident	132 Å²	132	84.8 Å²	84.8	61%	0.611	45%	0.446	S	S	*	.	H	α-helix	trans	-63.7	-45.5	173.9	173.4	-85	0	0	0	111.7	K184 S185 G191 S192	K184-H188 PolarHBondContact O-N 2.84Å; K184-H188 VanDerWaalsContact O-N 3.11Å; S185-H188 WeakPolarHBondContact O-CB 3.34Å; S185-H188 PolarHBondContact O-N 3.23Å; S185-H188 VanDerWaalsContact O-N 3.12Å; H188-G191 PolarHBondContact O-N 3.4Å; H188-S192 PolarHBondContact O-N 3.27Å; H188-S192 PolarHBondContact O-OG 3.33Å
189	D	92.7	Very high	88.2	Confident	92 Å²	92	79.9 Å²	79.9	49%	0.492	43%	0.434	S	S	.	.	H	α-helix	trans	-67.9	-40.1	-178.6	-62.3	-15.3	0	0	0	111.6	S185 V186 G191 S192 V193	S185-D189 VanDerWaalsContact O-CG 3.24Å; S185-D189 PolarHBondContact O-N 3.05Å; V186-D189 PolarHBondContact O-N 3.39Å; D189-G191 PolarHBondContact O-N 2.98Å; D189-S192 WeakPolarHBondContact O-CB 3.47Å; D189-S192 PolarHBondContact O-N 3.13Å; D189-S192 VanDerWaalsContact O-N 3.1Å; D189-V193 PolarHBondContact O-N 3.08Å; D189-V193 VanDerWaalsContact O-N 3.15Å
190	A	90.8	Very high	87	Confident	46 Å²	46	81 Å²	81	38%	0.38	45%	0.447	S	S	.	.	H	α-helix	trans	-59.2	-44.5	174.8	0	0	0	0	0	112.1	V186 S192 V193 E194	V186-A190 WeakPolarHBondContact O-CB 3.13Å; V186-A190 PolarHBondContact O-N 3.19Å; A190-S192 PolarHBondContact O-N 3.08Å; A190-V193 PolarHBondContact O-N 2.62Å; A190-V193 VanDerWaalsContact O-N 3.16Å; A190-E194 PolarHBondContact O-N 3.31Å
191	G	90.3	Very high	85.7	Confident	24 Å²	24	84.2 Å²	84.2	25%	0.247	46%	0.464	C	S	.	.	H	α-helix	trans	-61.3	-33.3	175.4	0	0	0	0	0	112.9	K187 H188 D189 E194 N195	K187-G191 PolarHBondContact O-N 2.77Å; H188-G191 PolarHBondContact O-N 3.4Å; D189-G191 PolarHBondContact O-N 2.98Å; G191-E194 PolarHBondContact O-N 3.34Å; G191-N195 WeakPolarHBondContact O-CB 3.39Å; G191-N195 VanDerWaalsContact O-CG 3.24Å; G191-N195 PolarHBondContact O-N 3.45Å; G191-N195 PolarHBondContact O-ND2 3.34Å; G191-N195 VanDerWaalsContact O-ND2 3.15Å
192	S	86.8	Confident	84.4	Confident	56 Å²	56	82.1 Å²	82.1	39%	0.392	46%	0.463	S	S	.	.	H	α-helix	trans	-66.3	-40.7	175.5	-59.7	0	0	0	0	111.9	H188 D189 A190 V196	H188-S192 PolarHBondContact O-N 3.27Å; H188-S192 PolarHBondContact O-OG 3.33Å; D189-S192 WeakPolarHBondContact O-CB 3.47Å; D189-S192 PolarHBondContact O-N 3.13Å; D189-S192 VanDerWaalsContact O-N 3.1Å; A190-S192 PolarHBondContact O-N 3.08Å; S192-V196 WeakPolarHBondContact O-CG2 3.36Å; S192-V196 PolarHBondContact O-N 3.46Å
193	V	86	Confident	83.3	Confident	92 Å²	92	78.8 Å²	78.8	56%	0.558	46%	0.46	S	S	*	.	H	α-helix	trans	-66.4	-42.7	176.4	177.8	0	0	0	0	111.5	D189 A190 N195 V196 L197	D189-V193 PolarHBondContact O-N 3.08Å; D189-V193 VanDerWaalsContact O-N 3.15Å; A190-V193 PolarHBondContact O-N 2.62Å; A190-V193 VanDerWaalsContact O-N 3.16Å; V193-N195 PolarHBondContact O-N 2.9Å; V193-V196 PolarHBondContact O-N 2.95Å; V193-L197 WeakPolarHBondContact O-CG 3.1Å; V193-L197 PolarHBondContact O-N 2.96Å
194	E	81.8	Confident	82.3	Confident	125 Å²	125	86.3 Å²	86.3	58%	0.584	49%	0.486	S	S	*	.	H	α-helix	trans	-62.8	-41.4	177.7	-72.4	177.8	-176	0	0	112.4	A190 G191 V196 L197 T198	A190-E194 PolarHBondContact O-N 3.31Å; G191-E194 PolarHBondContact O-N 3.34Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 3Å; E194-L197 PolarHBondContact O-N 2.67Å; E194-T198 PolarHBondContact O-N 2.71Å; E194-T198 PolarHBondContact O-OG1 3.06Å
195	N	77.2	Confident	81.2	Confident	115 Å²	115	83.1 Å²	83.1	62%	0.615	48%	0.481	S	S	*	.	H	α-helix	trans	-64.3	-36.3	177.1	-74.1	-27.7	0	0	0	112.7	G191 V193 L197 T198 G199	G191-N195 WeakPolarHBondContact O-CB 3.39Å; G191-N195 VanDerWaalsContact O-CG 3.24Å; G191-N195 PolarHBondContact O-N 3.45Å; G191-N195 PolarHBondContact O-ND2 3.34Å; G191-N195 VanDerWaalsContact O-ND2 3.15Å; V193-N195 PolarHBondContact O-N 2.9Å; N195-L197 VanDerWaalsContact C-N 3.35Å; N195-T198 WeakPolarHBondContact CA-OG1 3.24Å; N195-T198 PolarHBondContact O-OG1 2.66Å; N195-G199 PolarHBondContact O-N 3.39Å
196	V	74.2	Confident	80.2	Confident	103 Å²	103	84.5 Å²	84.5	62%	0.624	48%	0.483	S	S	*	.	H	α-helix	trans	-64.9	-40.4	174.3	171.8	0	0	0	0	111	S192 V193 E194 G199 A200	S192-V196 WeakPolarHBondContact O-CG2 3.36Å; S192-V196 PolarHBondContact O-N 3.46Å; V193-V196 PolarHBondContact O-N 2.95Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 3Å; V196-G199 PolarHBondContact O-N 2.94Å; V196-A200 VanDerWaalsContact O-CB 3.29Å; V196-A200 WeakPolarHBondContact O-CB 3.38Å; V196-A200 PolarHBondContact O-N 3.2Å
197	L	70.2	Confident	79.2	Confident	98 Å²	98	88.9 Å²	88.9	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-44.8	178.1	-69.2	173	0	0	0	112	V193 E194 N195 A200 Q201	V193-L197 WeakPolarHBondContact O-CG 3.1Å; V193-L197 PolarHBondContact O-N 2.96Å; E194-L197 PolarHBondContact O-N 2.67Å; N195-L197 VanDerWaalsContact C-N 3.35Å; L197-A200 PolarHBondContact O-N 3.25Å; L197-Q201 VanDerWaalsContact O-CB 3.31Å; L197-Q201 WeakPolarHBondContact O-CB 3.35Å; L197-Q201 WeakPolarHBondContact O-CG 3.22Å; L197-Q201 PolarHBondContact O-N 2.95Å
198	T	72.8	Confident	78.5	Confident	76 Å²	76	86.7 Å²	86.7	47%	0.466	50%	0.495	S	S	.	.	H	α-helix	trans	-65.4	-40.2	177.5	55.7	0	0	0	0	111.7	E194 N195 Q201 A202	E194-T198 PolarHBondContact O-N 2.71Å; E194-T198 PolarHBondContact O-OG1 3.06Å; N195-T198 WeakPolarHBondContact CA-OG1 3.24Å; N195-T198 PolarHBondContact O-OG1 2.66Å; T198-Q201 PolarHBondContact O-N 3.15Å; T198-A202 VanDerWaalsContact O-CB 3.29Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 3.4Å
199	G	73.4	Confident	77.6	Confident	40 Å²	40	87.4 Å²	87.4	41%	0.412	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-45.5	173.2	0	0	0	0	0	112.9	N195 V196 A202 A203	N195-G199 PolarHBondContact O-N 3.39Å; V196-G199 PolarHBondContact O-N 2.94Å; G199-A202 PolarHBondContact O-N 3.06Å; G199-A203 WeakPolarHBondContact O-CB 3.35Å; G199-A203 PolarHBondContact O-N 3.31Å
200	A	72.9	Confident	76.5	Confident	44 Å²	44	91.5 Å²	91.5	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-38	176.7	0	0	0	0	0	112.5	V196 L197 R204	V196-A200 VanDerWaalsContact O-CB 3.29Å; V196-A200 WeakPolarHBondContact O-CB 3.38Å; V196-A200 PolarHBondContact O-N 3.2Å; L197-A200 PolarHBondContact O-N 3.25Å; A200-R204 WeakPolarHBondContact O-CB 3.36Å; A200-R204 WeakPolarHBondContact O-CG 3.49Å; A200-R204 PolarHBondContact O-N 3.41Å
201	Q	70.5	Confident	75.7	Confident	124 Å²	124	95.8 Å²	95.8	58%	0.579	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-45.3	173.5	-75.8	172.3	-11.6	0	0	111.5	L197 T198 A203 R204 A205	L197-Q201 VanDerWaalsContact O-CB 3.31Å; L197-Q201 WeakPolarHBondContact O-CB 3.35Å; L197-Q201 WeakPolarHBondContact O-CG 3.22Å; L197-Q201 PolarHBondContact O-N 2.95Å; T198-Q201 PolarHBondContact O-N 3.15Å; Q201-A203 VanDerWaalsContact C-N 3.34Å; Q201-A203 PolarHBondContact O-N 2.97Å; Q201-R204 PolarHBondContact O-N 3.49Å; Q201-A205 WeakPolarHBondContact O-CB 3.37Å; Q201-A205 PolarHBondContact O-N 3.18Å
202	A	70.9	Confident	74.6	Confident	52 Å²	52	97.9 Å²	97.9	43%	0.43	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-41.8	176.2	0	0	0	0	0	111.6	T198 G199 A205 N206	T198-A202 VanDerWaalsContact O-CB 3.29Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 3.4Å; G199-A202 PolarHBondContact O-N 3.06Å; A202-A205 PolarHBondContact O-N 3.26Å; A202-N206 WeakPolarHBondContact O-CB 3.33Å; A202-N206 PolarHBondContact O-N 2.99Å; A202-N206 PolarHBondContact O-ND2 3.22Å
203	A	74.3	Confident	73.3	Confident	45 Å²	45	102.1 Å²	102.1	37%	0.372	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-49.1	174.3	0	0	0	0	0	111.5	G199 Q201 A205 N206 Y207	G199-A203 WeakPolarHBondContact O-CB 3.35Å; G199-A203 PolarHBondContact O-N 3.31Å; Q201-A203 VanDerWaalsContact C-N 3.34Å; Q201-A203 PolarHBondContact O-N 2.97Å; A203-A205 PolarHBondContact O-N 3.44Å; A203-N206 PolarHBondContact O-N 3.21Å; A203-Y207 WeakPolarHBondContact O-CD2 3.29Å; A203-Y207 PolarHBondContact O-N 3.45Å
204	R	74.8	Confident	72.1	Confident	193 Å²	193	103.9 Å²	103.9	73%	0.728	55%	0.545	S	S	*	.	H	α-helix	trans	-58.9	-43.8	176.5	-79.9	177.6	176.7	164.1	0.3	112.5	A200 Q201 N206 Y207 A208	A200-R204 WeakPolarHBondContact O-CB 3.36Å; A200-R204 WeakPolarHBondContact O-CG 3.49Å; A200-R204 PolarHBondContact O-N 3.41Å; Q201-R204 PolarHBondContact O-N 3.49Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 2.99Å; R204-Y207 PolarHBondContact O-N 3.01Å; R204-A208 PolarHBondContact O-N 2.73Å
205	A	73.9	Confident	71	Confident	49 Å²	49	101.4 Å²	101.4	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-62.8	-38	177.4	0	0	0	0	0	112.2	Q201 A202 A203 K209	Q201-A205 WeakPolarHBondContact O-CB 3.37Å; Q201-A205 PolarHBondContact O-N 3.18Å; A202-A205 PolarHBondContact O-N 3.26Å; A203-A205 PolarHBondContact O-N 3.44Å; A205-K209 WeakPolarHBondContact O-CG 3.17Å; A205-K209 PolarHBondContact O-N 3.21Å
206	N	73.8	Confident	70	Confident	95 Å²	95	100.7 Å²	100.7	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-68	-39.4	175.3	-76.3	-26.7	0	0	0	112.5	A202 A203 R204 R210	A202-N206 WeakPolarHBondContact O-CB 3.33Å; A202-N206 PolarHBondContact O-N 2.99Å; A202-N206 PolarHBondContact O-ND2 3.22Å; A203-N206 PolarHBondContact O-N 3.21Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 2.99Å; N206-R210 WeakPolarHBondContact O-CG 3.3Å; N206-R210 PolarHBondContact O-N 2.92Å
207	Y	73.4	Confident	69.2	Low	161 Å²	161	101.8 Å²	101.8	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-63	-47.9	173.1	-89.7	-79.6	0	0	0	111.8	A203 R204 K209 R210 E211	A203-Y207 WeakPolarHBondContact O-CD2 3.29Å; A203-Y207 PolarHBondContact O-N 3.45Å; R204-Y207 PolarHBondContact O-N 3.01Å; Y207-K209 VanDerWaalsContact C-N 3.32Å; Y207-K209 PolarHBondContact O-N 3.21Å; Y207-R210 WeakPolarHBondContact O-CB 3.43Å; Y207-R210 PolarHBondContact O-N 3.49Å; Y207-E211 PolarHBondContact O-N 2.79Å
208	A	76	Confident	68.7	Low	58 Å²	58	99.8 Å²	99.8	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-59.9	-38.8	177.9	0	0	0	0	0	112.8	R204 R210 E211 A212	R204-A208 PolarHBondContact O-N 2.73Å; A208-R210 VanDerWaalsContact C-N 3.31Å; A208-R210 PolarHBondContact O-N 2.86Å; A208-E211 PolarHBondContact O-N 2.86Å; A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.67Å
209	K	72.3	Confident	67.8	Low	147 Å²	147	101.5 Å²	101.5	64%	0.639	54%	0.541	S	S	*	.	H	α-helix	trans	-64.5	-32.8	173.7	-78.5	-179.6	-179.9	177.6	0	113.1	A205 Y207	A205-K209 WeakPolarHBondContact O-CG 3.17Å; A205-K209 PolarHBondContact O-N 3.21Å; Y207-K209 VanDerWaalsContact C-N 3.32Å; Y207-K209 PolarHBondContact O-N 3.21Å
210	R	70.9	Confident	67	Low	178 Å²	178	108.5 Å²	108.5	67%	0.672	56%	0.555	S	S	*	*	H	α-helix	trans	-73.2	-43.7	176.5	-73.8	177.5	178.2	-171	-0.5	111.1	N206 Y207 A208 K213 Q214	N206-R210 WeakPolarHBondContact O-CG 3.3Å; N206-R210 PolarHBondContact O-N 2.92Å; Y207-R210 WeakPolarHBondContact O-CB 3.43Å; Y207-R210 PolarHBondContact O-N 3.49Å; A208-R210 VanDerWaalsContact C-N 3.31Å; A208-R210 PolarHBondContact O-N 2.86Å; R210-K213 PolarHBondContact O-N 2.92Å; R210-Q214 PolarHBondContact O-N 3.46Å
211	E	72.7	Confident	66.3	Low	136 Å²	136	108.4 Å²	108.4	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-62.4	-42.5	175.5	-79.1	-164.6	162.3	0	0	112	Y207 A208 K213 Q214 P215	Y207-E211 PolarHBondContact O-N 2.79Å; A208-E211 PolarHBondContact O-N 2.86Å; E211-K213 PolarHBondContact O-N 3.47Å; E211-K213 VanDerWaalsContact O-N 3.17Å; E211-Q214 WeakPolarHBondContact O-CB 3.48Å; E211-Q214 PolarHBondContact O-N 3.43Å; E211-P215 WeakPolarHBondContact O-CD 3.41Å
212	A	67.4	Low	65.7	Low	68 Å²	68	109 Å²	109	56%	0.562	56%	0.563	S	S	*	*	H	α-helix	trans	-62.2	-24.8	177.5	0	0	0	0	0	113.8	A208	A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.67Å
213	K	60.5	Low	65	Low	146 Å²	146	108.8 Å²	108.8	64%	0.635	56%	0.561	S	S	*	*	H	α-helix	trans	-80.9	-22.8	174.3	-75.9	-173.5	177.8	-172.2	0	113.3	R210 E211 L216 L217	R210-K213 PolarHBondContact O-N 2.92Å; E211-K213 PolarHBondContact O-N 3.47Å; E211-K213 VanDerWaalsContact O-N 3.17Å; K213-L216 PolarHBondContact O-N 2.92Å; K213-L217 PolarHBondContact O-N 3.29Å; K213-L217 VanDerWaalsContact O-N 3.12Å
214	Q	59.7	Low	64.2	Low	128 Å²	128	113.2 Å²	113.2	60%	0.598	57%	0.572	S	S	*	*	H	α-helix	trans	-66.8	-41.8	-177.3	-113.5	169	-4.3	0	0	114.3	R210 E211 L216 L217 A218	R210-Q214 PolarHBondContact O-N 3.46Å; E211-Q214 WeakPolarHBondContact O-CB 3.48Å; E211-Q214 PolarHBondContact O-N 3.43Å; Q214-L216 VanDerWaalsContact C-N 3.27Å; Q214-L216 PolarHBondContact O-N 3.26Å; Q214-L217 PolarHBondContact O-N 2.9Å; Q214-A218 PolarHBondContact O-N 2.87Å
215	P	58.9	Low	63.3	Low	74 Å²	74	114.9 Å²	114.9	48%	0.481	58%	0.578	S	S	.	*	H	α-helix	trans	-64.6	-32.2	173.9	4.7	-5.4	0	0	0	112.2	E211 A218 L219	E211-P215 WeakPolarHBondContact O-CD 3.41Å; P215-A218 PolarHBondContact O-N 3.28Å; P215-L219 WeakPolarHBondContact O-CB 3.33Å; P215-L219 WeakPolarHBondContact O-CG 3.35Å; P215-L219 PolarHBondContact O-N 3.41Å
216	L	57.2	Low	62.4	Low	100 Å²	100	117.5 Å²	117.5	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-43	174.5	-74.3	169.9	0	0	0	111.4	K213 Q214 A218 L219 W220	K213-L216 PolarHBondContact O-N 2.92Å; Q214-L216 VanDerWaalsContact C-N 3.27Å; Q214-L216 PolarHBondContact O-N 3.26Å; L216-A218 VanDerWaalsContact C-N 3.34Å; L216-A218 PolarHBondContact O-N 3.22Å; L216-L219 PolarHBondContact O-N 3.08Å; L216-W220 PolarHBondContact O-N 3.27Å
217	L	58	Low	61.5	Low	126 Å²	126	119.8 Å²	119.8	66%	0.66	60%	0.601	S	S	*	*	H	α-helix	trans	-66.3	-35.8	174.9	-69.8	173.6	0	0	0	112.3	K213 Q214 W220 G221	K213-L217 PolarHBondContact O-N 3.29Å; K213-L217 VanDerWaalsContact O-N 3.12Å; Q214-L217 PolarHBondContact O-N 2.9Å; L217-W220 PolarHBondContact O-N 3.1Å; L217-G221 PolarHBondContact O-N 3.04Å
218	A	58.4	Low	60.2	Low	56 Å²	56	117.4 Å²	117.4	46%	0.463	60%	0.598	S	S	.	*	H	α-helix	trans	-64.2	-41.1	173.6	0	0	0	0	0	111.9	Q214 P215 L216 G221 M222	Q214-A218 PolarHBondContact O-N 2.87Å; P215-A218 PolarHBondContact O-N 3.28Å; L216-A218 VanDerWaalsContact C-N 3.34Å; L216-A218 PolarHBondContact O-N 3.22Å; A218-G221 PolarHBondContact O-N 2.77Å; A218-M222 WeakPolarHBondContact O-CG 3.41Å; A218-M222 PolarHBondContact O-N 3.48Å
219	L	54.4	Low	59.1	Low	112 Å²	112	118.9 Å²	118.9	59%	0.586	60%	0.603	S	S	*	*	H	α-helix	trans	-64.5	-41.4	174.1	-77.5	164.5	0	0	0	111.9	P215 L216 M222 A223	P215-L219 WeakPolarHBondContact O-CB 3.33Å; P215-L219 WeakPolarHBondContact O-CG 3.35Å; P215-L219 PolarHBondContact O-N 3.41Å; L216-L219 PolarHBondContact O-N 3.08Å; L219-M222 PolarHBondContact O-N 2.99Å; L219-A223 WeakPolarHBondContact O-CB 3.5Å; L219-A223 PolarHBondContact O-N 3.32Å
220	W	56.2	Low	57.9	Low	187 Å²	187	121.4 Å²	121.4	71%	0.708	61%	0.614	S	S	*	*	H	α-helix	trans	-67	-38.4	175.9	-81.7	57.7	0	0	0	112	L216 L217 M222 A223 F224	L216-W220 PolarHBondContact O-N 3.27Å; L217-W220 PolarHBondContact O-N 3.1Å; W220-M222 VanDerWaalsContact C-N 3.33Å; W220-M222 PolarHBondContact O-N 3.48Å; W220-A223 PolarHBondContact O-N 3.33Å; W220-F224 PolarHBondContact O-N 3.15Å
221	G	58.6	Low	56.5	Low	41 Å²	41	122.3 Å²	122.3	42%	0.423	65%	0.646	S	S	.	*	H	α-helix	trans	-63.3	-37.5	174.5	0	0	0	0	0	113	L217 A218 R225	L217-G221 PolarHBondContact O-N 3.04Å; A218-G221 PolarHBondContact O-N 2.77Å; G221-R225 PolarHBondContact O-N 3.33Å
222	M	56.6	Low	55.7	Low	138 Å²	138	121.6 Å²	121.6	68%	0.68	65%	0.646	S	S	*	*	H	α-helix	trans	-68.6	-40.9	172.5	-70.2	-171.2	-169	0	0	111.9	A218 L219 W220 F224 R225 T226	A218-M222 WeakPolarHBondContact O-CG 3.41Å; A218-M222 PolarHBondContact O-N 3.48Å; L219-M222 PolarHBondContact O-N 2.99Å; W220-M222 VanDerWaalsContact C-N 3.33Å; W220-M222 PolarHBondContact O-N 3.48Å; M222-F224 PolarHBondContact O-N 2.96Å; M222-R225 PolarHBondContact O-N 3.41Å; M222-T226 PolarHBondContact O-N 2.98Å; M222-T226 PolarHBondContact O-OG1 3.39Å
223	A	57.1	Low	55.1	Low	47 Å²	47	124.4 Å²	124.4	39%	0.388	65%	0.651	S	S	.	*	H	α-helix	trans	-67.6	-32.9	179.1	0	0	0	0	0	113.3	L219 W220 T226 L227	L219-A223 WeakPolarHBondContact O-CB 3.5Å; L219-A223 PolarHBondContact O-N 3.32Å; W220-A223 PolarHBondContact O-N 3.33Å; A223-T226 PolarHBondContact O-N 3Å; A223-T226 PolarHBondContact O-OG1 3.22Å; A223-L227 PolarHBondContact O-N 3.35Å
224	F	56.7	Low	54.8	Low	138 Å²	138	123.2 Å²	123.2	61%	0.605	65%	0.651	S	S	*	*	H	α-helix	trans	-73.5	-32.2	178.2	-133.1	-93.3	0	0	0	112.4	W220 M222 T226 L227 L228	W220-F224 PolarHBondContact O-N 3.15Å; M222-F224 PolarHBondContact O-N 2.96Å; F224-T226 VanDerWaalsContact C-N 3.3Å; F224-T226 PolarHBondContact O-N 3.13Å; F224-L227 PolarHBondContact O-N 3.07Å; F224-L228 HydrophobicContact CD1-CD1 3.79Å; F224-L228 HydrophobicContact CE1-CD1 3.42Å; F224-L228 VanDerWaalsContact CE1-CD1 3.42Å; F224-L228 HydrophobicContact CZ-CD1 4.27Å
225	R	55.9	Low	54.5	Low	227 Å²	227	122.9 Å²	122.9	86%	0.857	66%	0.655	S	S	*	*	H	α-helix	trans	-71.3	-23.2	175.6	-84	-172.3	172.7	-158.4	-1.9	113.6	G221 M222	G221-R225 PolarHBondContact O-N 3.33Å; M222-R225 PolarHBondContact O-N 3.41Å
226	T	56.7	Low	54.2	Low	104 Å²	104	126 Å²	126	64%	0.638	67%	0.665	S	S	*	*	H	α-helix	trans	-86.3	-20.4	176.1	46.5	0	0	0	0	113.6	M222 A223 F224	M222-T226 PolarHBondContact O-N 2.98Å; M222-T226 PolarHBondContact O-OG1 3.39Å; A223-T226 PolarHBondContact O-N 3Å; A223-T226 PolarHBondContact O-OG1 3.22Å; F224-T226 VanDerWaalsContact C-N 3.3Å; F224-T226 PolarHBondContact O-N 3.13Å
227	L	54.1	Low	54	Low	144 Å²	144	127.7 Å²	127.7	75%	0.754	68%	0.675	S	S	*	*	H	α-helix	trans	-98.7	-1.8	-176.1	-76.3	171	0	0	0	115.7	A223 F224 P229	A223-L227 PolarHBondContact O-N 3.35Å; F224-L227 PolarHBondContact O-N 3.07Å; L227-P229 VanDerWaalsContact C-CD 3.5Å
228	L	46.2	Very low	53.8	Low	111 Å²	111	127.9 Å²	127.9	58%	0.581	68%	0.676	S	S	*	*			trans	-119.9	76.3	170.3	-90.7	130	0	0	0	112.2	F224	F224-L228 HydrophobicContact CD1-CD1 3.79Å; F224-L228 HydrophobicContact CE1-CD1 3.42Å; F224-L228 VanDerWaalsContact CE1-CD1 3.42Å; F224-L228 HydrophobicContact CZ-CD1 4.27Å
229	P	52.2	Low	53.4	Low	88 Å²	88	133.4 Å²	133.4	57%	0.571	69%	0.692	S	S	*	*			trans	-120.1	53.9	151.3	38.2	-27.8	0	0	0	110.6	L227	L227-P229 VanDerWaalsContact C-CD 3.5Å
230	F	47.7	Very low	53.3	Low	200 Å²	200	135.2 Å²	135.2	88%	0.877	70%	0.701	S	S	*	*			trans	-155.4	72.7	163.8	-82.2	-71.7	0	0	0	110.8
231	C	41.9	Very low	53.1	Low	197 Å²	197	130.5 Å²	130.5	100%	1.331	70%	0.701	S	S	*	*			trans	-146.3	0	146	-84.3	0	0	0	0	105.8

Retrieved 231 of 231 residues in 77.4 ms (Link to these results)

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