G4VAT2_SCHMA Loading...

Transmembrane protein 18

AlphaFold DB , UniProt , Accession G4VAT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 143 aa.

						>G4VAT2_SCHMA|G4VAT2
MNFSFQFLDTTANPSVNTIYGTILSIPWTSELWLISLIGFHFLTTMCVIAFRKYTNLLLCILLISLGTVWCSHWINEFAANNWNLFATEQYFDSYGYFISCIWNVPVILNSLLIVLLLVLQINSLIIQSKRFQIANEKRLKTD
					

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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	48.8	Very low	60.6	Low	207 Å²	207	127.7 Å²	127.7	100%	1.02	65%	0.651	S	S	*	*				0	101.1	0	-94.9	165.3	93.1	0	0	107.6	F3	M1-F3 HydrophobicContact CE-CE2 3.72Å; M1-F3 HydrophobicContact CE-CZ 4.04Å; M1-F3 PolarHBondContact O-N 2.87Å; M1-F3 VanDerWaalsContact O-N 3.16Å
2	N	50.8	Low	61.2	Low	166 Å²	166	123.2 Å²	123.2	89%	0.888	65%	0.647	S	S	*	*			trans	-74.2	100.1	164.1	-77.4	-18.6	0	0	0	105.6	S4	N2-S4 PolarHBondContact O-N 3.41Å
3	F	63.7	Low	62.1	Low	152 Å²	152	119.5 Å²	119.5	67%	0.667	63%	0.628	S	S	*	*			trans	-66.2	90.5	161.4	-94.9	-86.7	0	0	0	105.6	M1 F5	M1-F3 HydrophobicContact CE-CE2 3.72Å; M1-F3 HydrophobicContact CE-CZ 4.04Å; M1-F3 PolarHBondContact O-N 2.87Å; M1-F3 VanDerWaalsContact O-N 3.16Å; F3-F5 PolarHBondContact O-N 3.37Å
4	S	60.2	Low	63.2	Low	81 Å²	81	117.6 Å²	117.6	57%	0.566	63%	0.627	S	S	*	*			trans	-57.9	116	170.4	36.4	0	0	0	0	106.5	N2 Q6	N2-S4 PolarHBondContact O-N 3.41Å; S4-Q6 PolarHBondContact O-N 3.33Å
5	F	66.9	Low	64.1	Low	137 Å²	137	112.4 Å²	112.4	60%	0.601	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-69.1	38.5	172.5	-66.4	-80	0	0	0	111.3	F3 F7 L8 D9	F3-F5 PolarHBondContact O-N 3.37Å; F5-F7 HydrophobicContact CB-CE1 4.48Å; F5-F7 AromaticContact CD1-CE1 3.68Å; F5-F7 HydrophobicContact CD1-CE1 3.68Å; F5-F7 AromaticContact CD1-CZ 3.83Å; F5-F7 HydrophobicContact CD1-CZ 3.83Å; F5-F7 HydrophobicContact CE1-CE1 4.44Å; F5-F7 HydrophobicContact CE1-CZ 4.42Å; F5-F7 HydrophobicContact CG-CE1 4.48Å; F5-F7 PolarHBondContact O-N 2.93Å; F5-L8 HydrophobicContact CB-CB 4.06Å; F5-L8 HydrophobicContact CB-CD1 3.83Å; F5-L8 HydrophobicContact CB-CG 4.01Å; F5-L8 HydrophobicContact CD1-CD1 3.44Å; F5-L8 VanDerWaalsContact CD1-CD1 3.44Å; F5-L8 HydrophobicContact CD1-CG 4.06Å; F5-L8 HydrophobicContact CE1-CD1 4.24Å; F5-L8 HydrophobicContact CG-CD1 3.88Å; F5-L8 HydrophobicContact CG-CG 4.46Å; F5-L8 CarbonylContact O-C 3.58Å; F5-L8 WeakPolarHBondContact O-CA 3.33Å; F5-L8 VanDerWaalsContact O-CB 3.31Å; F5-L8 WeakPolarHBondContact O-CB 3.37Å; F5-L8 PolarHBondContact O-N 3.1Å; F5-D9 PolarHBondContact O-N 3.3Å
6	Q	60.7	Low	65	Low	150 Å²	150	108.9 Å²	108.9	70%	0.701	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-63	-21.6	178	-169.9	167.5	-12	0	0	111.4	S4 L8 D9	S4-Q6 PolarHBondContact O-N 3.33Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-D9 PolarHBondContact O-N 3Å
7	F	61.1	Low	66.1	Low	152 Å²	152	107.3 Å²	107.3	67%	0.667	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-72.7	-21.4	168.2	76.8	-89.3	0	0	0	113.6	F5	F5-F7 HydrophobicContact CB-CE1 4.48Å; F5-F7 AromaticContact CD1-CE1 3.68Å; F5-F7 HydrophobicContact CD1-CE1 3.68Å; F5-F7 AromaticContact CD1-CZ 3.83Å; F5-F7 HydrophobicContact CD1-CZ 3.83Å; F5-F7 HydrophobicContact CE1-CE1 4.44Å; F5-F7 HydrophobicContact CE1-CZ 4.42Å; F5-F7 HydrophobicContact CG-CE1 4.48Å; F5-F7 PolarHBondContact O-N 2.93Å
8	L	61.7	Low	67.1	Low	101 Å²	101	106.4 Å²	106.4	53%	0.529	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-88.1	-5.4	171	-60.9	-177.3	0	0	0	112.4	F5 Q6 T10	F5-L8 HydrophobicContact CB-CB 4.06Å; F5-L8 HydrophobicContact CB-CD1 3.83Å; F5-L8 HydrophobicContact CB-CG 4.01Å; F5-L8 HydrophobicContact CD1-CD1 3.44Å; F5-L8 VanDerWaalsContact CD1-CD1 3.44Å; F5-L8 HydrophobicContact CD1-CG 4.06Å; F5-L8 HydrophobicContact CE1-CD1 4.24Å; F5-L8 HydrophobicContact CG-CD1 3.88Å; F5-L8 HydrophobicContact CG-CG 4.46Å; F5-L8 CarbonylContact O-C 3.58Å; F5-L8 WeakPolarHBondContact O-CA 3.33Å; F5-L8 VanDerWaalsContact O-CB 3.31Å; F5-L8 WeakPolarHBondContact O-CB 3.37Å; F5-L8 PolarHBondContact O-N 3.1Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; L8-T10 PolarHBondContact O-N 3.21Å
9	D	66.1	Low	68.1	Low	77 Å²	77	102.9 Å²	102.9	41%	0.412	56%	0.558	S	S	.	*			trans	-74	75.3	171.3	-168.8	2.7	0	0	0	109.4	F5 Q6 T11 A12	F5-D9 PolarHBondContact O-N 3.3Å; Q6-D9 PolarHBondContact O-N 3Å; D9-T11 PolarHBondContact O-N 3.08Å; D9-T11 WeakPolarHBondContact OD1-CB 3.34Å; D9-T11 PolarHBondContact OD1-N 3.38Å; D9-T11 PolarHBondContact OD1-OG1 3.13Å; D9-A12 PolarHBondContact O-N 3.22Å
10	T	62.7	Low	69	Low	81 Å²	81	105.3 Å²	105.3	50%	0.497	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-66.4	-19.9	178.1	54.6	0	0	0	0	111.9	L8 A12 N13	L8-T10 PolarHBondContact O-N 3.21Å; T10-A12 PolarHBondContact O-N 3.31Å; T10-N13 PolarHBondContact O-N 3.14Å; T10-N13 VanDerWaalsContact O-N 3.17Å
11	T	64	Low	69.8	Low	101 Å²	101	101.9 Å²	101.9	62%	0.62	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-66	-26.8	179.3	77.1	0	0	0	0	112	D9 N17	D9-T11 PolarHBondContact O-N 3.08Å; D9-T11 WeakPolarHBondContact OD1-CB 3.34Å; D9-T11 PolarHBondContact OD1-N 3.38Å; D9-T11 PolarHBondContact OD1-OG1 3.13Å; T11-N17 PolarHBondContact O-ND2 3.02Å
12	A	67.6	Low	71.7	Confident	73 Å²	73	94.2 Å²	94.2	60%	0.603	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-79.7	-13	177.8	0	0	0	0	0	113.8	D9 T10 P14	D9-A12 PolarHBondContact O-N 3.22Å; T10-A12 PolarHBondContact O-N 3.31Å; A12-P14 WeakPolarHBondContact O-CD 3.45Å
13	N	73	Confident	73.5	Confident	75 Å²	75	89 Å²	89	40%	0.401	49%	0.486	S	S	.	.			trans	-90.7	111.8	-176	-167.1	-16.5	0	0	0	111.4	T10 S15 V16 N17	T10-N13 PolarHBondContact O-N 3.14Å; T10-N13 VanDerWaalsContact O-N 3.17Å; N13-S15 PolarHBondContact O-N 3.46Å; N13-S15 PolarHBondContact OD1-N 2.91Å; N13-S15 PolarHBondContact OD1-OG 3.01Å; N13-V16 HydrophobicContact CB-CB 4.35Å; N13-V16 HydrophobicContact CB-CG2 4.02Å; N13-V16 PolarHBondContact O-N 2.89Å; N13-N17 PolarHBondContact O-N 3.04Å
14	P	77.1	Confident	74.7	Confident	94 Å²	94	87 Å²	87	61%	0.61	48%	0.482	S	S	*	.	H	α-helix	trans	-59	-33.5	-176.7	23	-34	0	0	0	113.2	A12 N17 T18	A12-P14 WeakPolarHBondContact O-CD 3.45Å; P14-N17 PolarHBondContact O-N 3.47Å; P14-T18 PolarHBondContact O-N 3.38Å; P14-T18 PolarHBondContact O-OG1 3.46Å
15	S	77.9	Confident	76.2	Confident	39 Å²	39	86.7 Å²	86.7	27%	0.273	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-39.1	-179.1	58.7	0	0	0	0	112.7	N13 T18 I19	N13-S15 PolarHBondContact O-N 3.46Å; N13-S15 PolarHBondContact OD1-N 2.91Å; N13-S15 PolarHBondContact OD1-OG 3.01Å; S15-T18 PolarHBondContact O-N 3.41Å; S15-I19 VanDerWaalsContact O-CG1 3.32Å; S15-I19 WeakPolarHBondContact O-CG1 3.47Å; S15-I19 PolarHBondContact O-N 3.18Å
16	V	78.5	Confident	77.4	Confident	57 Å²	57	80.5 Å²	80.5	35%	0.345	45%	0.453	S	S	.	.	H	α-helix	trans	-64.2	-44.3	177.3	176.6	0	0	0	0	110.4	N13 T18 I19 Y20	N13-V16 HydrophobicContact CB-CB 4.35Å; N13-V16 HydrophobicContact CB-CG2 4.02Å; N13-V16 PolarHBondContact O-N 2.89Å; V16-T18 VanDerWaalsContact C-N 3.3Å; V16-T18 PolarHBondContact O-N 3.41Å; V16-I19 PolarHBondContact O-N 3.19Å; V16-Y20 WeakPolarHBondContact O-CB 3.38Å; V16-Y20 PolarHBondContact O-N 3.16Å
17	N	82.6	Confident	78.8	Confident	81 Å²	81	75.5 Å²	75.5	43%	0.433	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-38.5	177.2	-67.8	-19.5	0	0	0	111.6	T11 N13 P14 G21	T11-N17 PolarHBondContact O-ND2 3.02Å; N13-N17 PolarHBondContact O-N 3.04Å; P14-N17 PolarHBondContact O-N 3.47Å; N17-G21 PolarHBondContact O-N 3.11Å
18	T	84.8	Confident	80.2	Confident	91 Å²	91	72.9 Å²	72.9	56%	0.558	42%	0.419	S	S	*	.	H	α-helix	trans	-63.5	-50	174.7	-58.5	0	0	0	0	111.7	P14 S15 V16 Y20 G21 T22	P14-T18 PolarHBondContact O-N 3.38Å; P14-T18 PolarHBondContact O-OG1 3.46Å; S15-T18 PolarHBondContact O-N 3.41Å; V16-T18 VanDerWaalsContact C-N 3.3Å; V16-T18 PolarHBondContact O-N 3.41Å; T18-Y20 VanDerWaalsContact C-N 3.34Å; T18-Y20 PolarHBondContact O-N 3.06Å; T18-G21 PolarHBondContact O-N 2.87Å; T18-T22 PolarHBondContact O-N 3.03Å; T18-T22 PolarHBondContact O-OG1 2.95Å; T18-T22 VanDerWaalsContact O-OG1 3.04Å
19	I	85.8	Confident	81.5	Confident	40 Å²	40	74.3 Å²	74.3	21%	0.205	43%	0.432	C	S	.	.	H	α-helix	trans	-60	-46.3	179.6	-65.4	162.5	0	0	0	110.6	S15 V16 G21 T22 I23 Y97	S15-I19 VanDerWaalsContact O-CG1 3.32Å; S15-I19 WeakPolarHBondContact O-CG1 3.47Å; S15-I19 PolarHBondContact O-N 3.18Å; V16-I19 PolarHBondContact O-N 3.19Å; I19-G21 VanDerWaalsContact C-N 3.34Å; I19-G21 PolarHBondContact O-N 3.46Å; I19-T22 PolarHBondContact O-N 3.04Å; I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 WeakPolarHBondContact O-CG1 3.34Å; I19-I23 PolarHBondContact O-N 3.08Å; I19-Y97 HydrophobicContact CD1-CD2 4.26Å; I19-Y97 HydrophobicContact CD1-CG 3.96Å; I19-Y97 HydrophobicContact CG1-CG 4.46Å
20	Y	85.7	Confident	82.7	Confident	150 Å²	150	74.2 Å²	74.2	59%	0.588	44%	0.437	S	S	*	.	H	α-helix	trans	-60.2	-45.2	177.5	-179.7	-106.4	0	0	0	111.4	V16 T18 I23 L24	V16-Y20 WeakPolarHBondContact O-CB 3.38Å; V16-Y20 PolarHBondContact O-N 3.16Å; T18-Y20 VanDerWaalsContact C-N 3.34Å; T18-Y20 PolarHBondContact O-N 3.06Å; Y20-I23 PolarHBondContact O-N 2.98Å; Y20-L24 HydrophobicContact CD1-CD1 3.82Å; Y20-L24 HydrophobicContact CD1-CG 4.5Å; Y20-L24 HydrophobicContact CE1-CD1 3.24Å; Y20-L24 HydrophobicContact CE1-CG 4.15Å; Y20-L24 HydrophobicContact CE2-CD1 4.18Å; Y20-L24 HydrophobicContact CE2-CG 4.28Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.44Å; Y20-L24 WeakPolarHBondContact O-CG 3.45Å; Y20-L24 PolarHBondContact O-N 2.95Å
21	G	87	Confident	84.1	Confident	34 Å²	34	70.4 Å²	70.4	35%	0.351	41%	0.414	S	S	.	.	H	α-helix	trans	-58.6	-46.7	174.4	0	0	0	0	0	112.6	N17 T18 I19 I23 L24 S25	N17-G21 PolarHBondContact O-N 3.11Å; T18-G21 PolarHBondContact O-N 2.87Å; I19-G21 VanDerWaalsContact C-N 3.34Å; I19-G21 PolarHBondContact O-N 3.46Å; G21-I23 PolarHBondContact O-N 3.01Å; G21-L24 PolarHBondContact O-N 3.36Å; G21-S25 PolarHBondContact O-N 3.42Å; G21-S25 PolarHBondContact O-OG 3.14Å
22	T	87.1	Confident	85.5	Confident	47 Å²	47	71.2 Å²	71.2	29%	0.288	41%	0.414	S	S	.	.	H	α-helix	trans	-60.8	-42.4	177.9	-59	0	0	0	0	112	T18 I19 S25 I26 Y91 F98	T18-T22 PolarHBondContact O-N 3.03Å; T18-T22 PolarHBondContact O-OG1 2.95Å; T18-T22 VanDerWaalsContact O-OG1 3.04Å; I19-T22 PolarHBondContact O-N 3.04Å; T22-S25 PolarHBondContact O-N 2.87Å; T22-S25 PolarHBondContact O-OG 3.45Å; T22-I26 WeakPolarHBondContact O-CG1 3.38Å; T22-Y91 HydrophobicContact CG2-CD1 4.37Å; T22-F98 HydrophobicContact CG2-CD2 4.37Å
23	I	89.3	Confident	86.8	Confident	55 Å²	55	70.1 Å²	70.1	28%	0.282	39%	0.394	S	S	.	.	H	α-helix	trans	-68.5	-37	179.4	-67.2	169.1	0	0	0	111.4	I19 Y20 G21 I26 W28	I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 WeakPolarHBondContact O-CG1 3.34Å; I19-I23 PolarHBondContact O-N 3.08Å; Y20-I23 PolarHBondContact O-N 2.98Å; G21-I23 PolarHBondContact O-N 3.01Å; I23-I26 WeakPolarHBondContact O-CG1 3.29Å; I23-W28 HydrophobicContact CG2-CZ2 4.47Å
24	L	90	Very high	87.9	Confident	112 Å²	112	66.6 Å²	66.6	59%	0.586	38%	0.375	S	S	*	.	H	α-helix	trans	-70.3	-31.2	176.9	-75.7	-178.6	0	0	0	113.2	Y20 G21 I26	Y20-L24 HydrophobicContact CD1-CD1 3.82Å; Y20-L24 HydrophobicContact CD1-CG 4.5Å; Y20-L24 HydrophobicContact CE1-CD1 3.24Å; Y20-L24 HydrophobicContact CE1-CG 4.15Å; Y20-L24 HydrophobicContact CE2-CD1 4.18Å; Y20-L24 HydrophobicContact CE2-CG 4.28Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.44Å; Y20-L24 WeakPolarHBondContact O-CG 3.45Å; Y20-L24 PolarHBondContact O-N 2.95Å; G21-L24 PolarHBondContact O-N 3.36Å; L24-I26 VanDerWaalsContact C-N 3.27Å; L24-I26 PolarHBondContact O-N 3.18Å
25	S	90.4	Very high	88.8	Confident	74 Å²	74	66.2 Å²	66.2	52%	0.517	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.1	-179.2	64.5	0	0	0	0	113.7	G21 T22 P27	G21-S25 PolarHBondContact O-N 3.42Å; G21-S25 PolarHBondContact O-OG 3.14Å; T22-S25 PolarHBondContact O-N 2.87Å; T22-S25 PolarHBondContact O-OG 3.45Å; S25-P27 WeakPolarHBondContact O-CD 3.06Å
26	I	91.5	Very high	89.6	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.036	38%	0.381	C	S	.	.			trans	-62.8	121.9	-177.3	-58.4	-176.6	0	0	0	110.3	T22 I23 L24 W28 E31 L34 Y91 F98	T22-I26 WeakPolarHBondContact O-CG1 3.38Å; I23-I26 WeakPolarHBondContact O-CG1 3.29Å; L24-I26 VanDerWaalsContact C-N 3.27Å; L24-I26 PolarHBondContact O-N 3.18Å; I26-W28 VanDerWaalsContact C-N 3.26Å; I26-W28 HydrophobicContact CB-CD2 4.48Å; I26-W28 HydrophobicContact CB-CZ2 4.34Å; I26-W28 HydrophobicContact CD1-CH2 4.35Å; I26-W28 HydrophobicContact CD1-CZ2 4.14Å; I26-W28 HydrophobicContact CG2-CD2 4.07Å; I26-W28 HydrophobicContact CG2-CE3 4.36Å; I26-W28 HydrophobicContact CG2-CG 4.39Å; I26-W28 HydrophobicContact CG2-CZ2 4.44Å; I26-W28 PolarHBondContact O-N 3.33Å; I26-E31 HydrophobicContact CG2-CB 4.4Å; I26-E31 HydrophobicContact CG2-CG 4.09Å; I26-L34 HydrophobicContact CD1-CD1 3.96Å; I26-L34 HydrophobicContact CG2-CD1 3.57Å; I26-Y91 HydrophobicContact CD1-CE1 4.48Å; I26-Y91 HydrophobicContact CG1-CE1 3.96Å; I26-F98 HydrophobicContact CD1-CE2 4.09Å
27	P	90.9	Very high	90.4	Very high	45 Å²	45	66.9 Å²	66.9	29%	0.292	37%	0.372	S	S	.	.			trans	-75.2	78.3	171.6	31.5	-33.5	0	0	0	110.4	S25 T29 S30 E31 Y91	S25-P27 WeakPolarHBondContact O-CD 3.06Å; P27-T29 PolarHBondContact O-N 2.91Å; P27-S30 PolarHBondContact O-N 3.32Å; P27-E31 HydrophobicContact CG-CG 4.14Å; P27-E31 PolarHBondContact O-N 2.77Å; P27-Y91 WeakPolarHBondContact CD-OH 3.36Å
28	W	90.1	Very high	91.1	Very high	97 Å²	97	66.5 Å²	66.5	37%	0.367	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-35	-173.1	-69.9	98.5	0	0	0	114.9	I23 I26 S30 L34 I35 I38	I23-W28 HydrophobicContact CG2-CZ2 4.47Å; I26-W28 VanDerWaalsContact C-N 3.26Å; I26-W28 HydrophobicContact CB-CD2 4.48Å; I26-W28 HydrophobicContact CB-CZ2 4.34Å; I26-W28 HydrophobicContact CD1-CH2 4.35Å; I26-W28 HydrophobicContact CD1-CZ2 4.14Å; I26-W28 HydrophobicContact CG2-CD2 4.07Å; I26-W28 HydrophobicContact CG2-CE3 4.36Å; I26-W28 HydrophobicContact CG2-CG 4.39Å; I26-W28 HydrophobicContact CG2-CZ2 4.44Å; I26-W28 PolarHBondContact O-N 3.33Å; W28-S30 VanDerWaalsContact C-N 3.29Å; W28-S30 PolarHBondContact O-N 2.97Å; W28-L34 HydrophobicContact CZ3-CB 4.1Å; W28-L34 HydrophobicContact CZ3-CD1 4.5Å; W28-I35 VanDerWaalsContact O-CD1 3.24Å; W28-I35 WeakPolarHBondContact O-CD1 3.34Å; W28-I38 HydrophobicContact CE3-CD1 4.46Å; W28-I38 HydrophobicContact CH2-CD1 4.06Å; W28-I38 HydrophobicContact CZ3-CD1 3.57Å
29	T	89.4	Confident	91.6	Very high	130 Å²	130	64 Å²	64	80%	0.798	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.7	179.7	-50.9	0	0	0	0	113	P27	P27-T29 PolarHBondContact O-N 2.91Å
30	S	90.7	Very high	92.2	Very high	76 Å²	76	66.2 Å²	66.2	53%	0.531	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-27	-177.6	-58.1	0	0	0	0	112.5	P27 W28 L32	P27-S30 PolarHBondContact O-N 3.32Å; W28-S30 VanDerWaalsContact C-N 3.29Å; W28-S30 PolarHBondContact O-N 2.97Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 3.04Å
31	E	92.9	Very high	92.7	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.345	C	S	.	.			trans	-87.1	68	-175	-62	-67.5	177.9	0	0	112.3	I26 P27 W33 L34 I35 T88 Y91	I26-E31 HydrophobicContact CG2-CB 4.4Å; I26-E31 HydrophobicContact CG2-CG 4.09Å; P27-E31 HydrophobicContact CG-CG 4.14Å; P27-E31 PolarHBondContact O-N 2.77Å; E31-W33 PolarHBondContact O-N 3.19Å; E31-W33 VanDerWaalsContact OE2-CD1 3.26Å; E31-W33 PolarHBondContact OE2-NE1 3.11Å; E31-L34 HydrophobicContact CB-CB 4.22Å; E31-L34 HydrophobicContact CB-CD1 3.9Å; E31-L34 HydrophobicContact CB-CG 4.29Å; E31-L34 HydrophobicContact CG-CD1 4.3Å; E31-L34 PolarHBondContact O-N 3.37Å; E31-L34 VanDerWaalsContact O-N 3.1Å; E31-I35 PolarHBondContact O-N 2.92Å; E31-T88 WeakPolarHBondContact OE1-CB 3.38Å; E31-T88 PolarHBondContact OE1-N 3.49Å; E31-T88 VanDerWaalsContact OE1-N 3.1Å; E31-T88 PolarHBondContact OE1-OG1 3.39Å; E31-Y91 VanDerWaalsContact CD-OH 3.23Å; E31-Y91 HydrophobicContact CG-CE2 4.43Å; E31-Y91 WeakPolarHBondContact CG-OH 3.48Å; E31-Y91 WeakPolarHBondContact OE1-CE2 3.38Å; E31-Y91 PolarHBondContact OE1-OH 2.93Å
32	L	93.7	Very high	93.3	Very high	118 Å²	118	65 Å²	65	62%	0.618	36%	0.358	S	S	*	.	H	α-helix	trans	-57.2	-33.6	-178.4	-102.1	65.9	0	0	0	113.7	S30 L34 I35 S36	S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 3.04Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-I35 PolarHBondContact O-N 3.26Å; L32-S36 WeakPolarHBondContact O-CB 3.47Å; L32-S36 PolarHBondContact O-N 3.31Å; L32-S36 PolarHBondContact O-OG 3.44Å
33	W	95.3	Very high	93.7	Very high	51 Å²	51	68 Å²	68	19%	0.193	37%	0.372	C	S	.	.	H	α-helix	trans	-67.4	-34.6	179.8	72.3	-87.6	0	0	0	111.7	E31 S36 L37 F86 A87 Y91 F92 F98	E31-W33 PolarHBondContact O-N 3.19Å; E31-W33 VanDerWaalsContact OE2-CD1 3.26Å; E31-W33 PolarHBondContact OE2-NE1 3.11Å; W33-S36 WeakPolarHBondContact O-CB 3.28Å; W33-S36 PolarHBondContact O-N 3.3Å; W33-L37 HydrophobicContact CZ3-CD2 4.22Å; W33-L37 WeakPolarHBondContact O-CB 3.32Å; W33-L37 PolarHBondContact O-N 2.79Å; W33-F86 HydrophobicContact CB-CD2 4.28Å; W33-F86 AromaticContact CD1-CD2 3.76Å; W33-F86 VanDerWaalsContact CD1-O 3.22Å; W33-F86 AromaticContact CD2-CD2 3.72Å; W33-F86 HydrophobicContact CD2-CD2 3.72Å; W33-F86 AromaticContact CD2-CE2 3.77Å; W33-F86 HydrophobicContact CD2-CE2 3.77Å; W33-F86 AromaticContact CE2-CD2 3.86Å; W33-F86 AromaticContact CE2-CE2 3.72Å; W33-F86 HydrophobicContact CE3-CD2 4.35Å; W33-F86 HydrophobicContact CE3-CE2 4.09Å; W33-F86 AromaticContact CG-CD2 3.66Å; W33-F86 HydrophobicContact CG-CD2 3.66Å; W33-F86 HydrophobicContact CG-CE2 4.23Å; W33-F86 HydrophobicContact CH2-CE2 4.26Å; W33-F86 AromaticContact CZ2-CE2 3.99Å; W33-F86 HydrophobicContact CZ2-CE2 3.99Å; W33-F86 HydrophobicContact CZ3-CE2 4.32Å; W33-F86 AromaticContact NE1-CD2 3.89Å; W33-A87 HydrophobicContact CZ2-CB 4.35Å; W33-Y91 AromaticContact CZ2-CD2 3.79Å; W33-Y91 HydrophobicContact CZ2-CD2 3.79Å; W33-Y91 HydrophobicContact CZ2-CE2 4.1Å; W33-F92 HydrophobicContact CH2-CE2 4.43Å; W33-F92 AromaticContact CH2-CZ 3.79Å; W33-F92 HydrophobicContact CH2-CZ 3.79Å; W33-F92 HydrophobicContact CZ2-CZ 4.44Å; W33-F92 HydrophobicContact CZ3-CZ 4.3Å; W33-F98 AromaticContact CH2-CE1 3.9Å; W33-F98 HydrophobicContact CH2-CE1 3.9Å; W33-F98 HydrophobicContact CH2-CZ 4.13Å
34	L	95.4	Very high	94.1	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-69	-43.1	174.7	-77.7	175.2	0	0	0	111.7	I26 W28 E31 L32 S36 L37 I38 F98 I102	I26-L34 HydrophobicContact CD1-CD1 3.96Å; I26-L34 HydrophobicContact CG2-CD1 3.57Å; W28-L34 HydrophobicContact CZ3-CB 4.1Å; W28-L34 HydrophobicContact CZ3-CD1 4.5Å; E31-L34 HydrophobicContact CB-CB 4.22Å; E31-L34 HydrophobicContact CB-CD1 3.9Å; E31-L34 HydrophobicContact CB-CG 4.29Å; E31-L34 HydrophobicContact CG-CD1 4.3Å; E31-L34 PolarHBondContact O-N 3.37Å; E31-L34 VanDerWaalsContact O-N 3.1Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L34-S36 VanDerWaalsContact C-N 3.27Å; L34-S36 PolarHBondContact O-N 3.42Å; L34-L37 WeakPolarHBondContact O-CB 3.49Å; L34-L37 PolarHBondContact O-N 2.68Å; L34-L37 VanDerWaalsContact O-N 3.16Å; L34-I38 WeakPolarHBondContact O-CG1 3.36Å; L34-I38 PolarHBondContact O-N 3.36Å; L34-F98 HydrophobicContact CD2-CZ 4.09Å; L34-I102 HydrophobicContact CD2-CG2 4.01Å
35	I	95.3	Very high	94.5	Very high	85 Å²	85	63.5 Å²	63.5	44%	0.436	35%	0.351	S	S	.	.	H	α-helix	trans	-59.5	-44.1	173.8	-63.5	172.4	0	0	0	110	W28 E31 L32 L37 I38 G39	W28-I35 VanDerWaalsContact O-CD1 3.24Å; W28-I35 WeakPolarHBondContact O-CD1 3.34Å; E31-I35 PolarHBondContact O-N 2.92Å; L32-I35 PolarHBondContact O-N 3.26Å; I35-L37 VanDerWaalsContact C-N 3.27Å; I35-L37 PolarHBondContact O-N 3.38Å; I35-I38 PolarHBondContact O-N 2.87Å; I35-G39 PolarHBondContact O-N 3.45Å
36	S	95.7	Very high	94.8	Very high	81 Å²	81	64.9 Å²	64.9	57%	0.566	35%	0.351	S	S	*	.	H	α-helix	trans	-61.2	-38	177.3	-58.6	0	0	0	0	111.7	L32 W33 L34 G39 F40	L32-S36 WeakPolarHBondContact O-CB 3.47Å; L32-S36 PolarHBondContact O-N 3.31Å; L32-S36 PolarHBondContact O-OG 3.44Å; W33-S36 WeakPolarHBondContact O-CB 3.28Å; W33-S36 PolarHBondContact O-N 3.3Å; L34-S36 VanDerWaalsContact C-N 3.27Å; L34-S36 PolarHBondContact O-N 3.42Å; S36-G39 PolarHBondContact O-N 2.76Å; S36-F40 WeakPolarHBondContact O-CB 3.5Å; S36-F40 PolarHBondContact O-N 3.08Å
37	L	95.9	Very high	95.1	Very high	30 Å²	30	66.5 Å²	66.5	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-68.7	-41.3	177.7	-174.3	58.2	0	0	0	112.5	W33 L34 I35 G39 F40 H41 I102 W103	W33-L37 HydrophobicContact CZ3-CD2 4.22Å; W33-L37 WeakPolarHBondContact O-CB 3.32Å; W33-L37 PolarHBondContact O-N 2.79Å; L34-L37 WeakPolarHBondContact O-CB 3.49Å; L34-L37 PolarHBondContact O-N 2.68Å; L34-L37 VanDerWaalsContact O-N 3.16Å; I35-L37 VanDerWaalsContact C-N 3.27Å; I35-L37 PolarHBondContact O-N 3.38Å; L37-G39 VanDerWaalsContact C-N 3.34Å; L37-G39 PolarHBondContact O-N 2.79Å; L37-F40 HydrophobicContact CD1-CD1 4.33Å; L37-F40 WeakPolarHBondContact O-CB 3.32Å; L37-F40 PolarHBondContact O-N 3.18Å; L37-H41 PolarHBondContact O-CD2 3.37Å; L37-H41 PolarHBondContact O-N 2.96Å; L37-I102 HydrophobicContact CD2-CG2 3.43Å; L37-I102 VanDerWaalsContact CD2-CG2 3.43Å; L37-I102 HydrophobicContact CG-CG2 4.35Å; L37-W103 HydrophobicContact CD1-CE3 3.47Å; L37-W103 VanDerWaalsContact CD1-CE3 3.47Å; L37-W103 HydrophobicContact CD1-CZ3 3.5Å
38	I	95.8	Very high	95.4	Very high	73 Å²	73	64.4 Å²	64.4	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-47.6	171.2	-67.4	165.5	0	0	0	109.9	W28 L34 I35 F40 H41 F42	W28-I38 HydrophobicContact CE3-CD1 4.46Å; W28-I38 HydrophobicContact CH2-CD1 4.06Å; W28-I38 HydrophobicContact CZ3-CD1 3.57Å; L34-I38 WeakPolarHBondContact O-CG1 3.36Å; L34-I38 PolarHBondContact O-N 3.36Å; I35-I38 PolarHBondContact O-N 2.87Å; I38-F40 VanDerWaalsContact C-N 3.29Å; I38-F40 PolarHBondContact O-N 3.14Å; I38-H41 PolarHBondContact O-N 3.04Å; I38-H41 VanDerWaalsContact O-N 3.08Å; I38-F42 HydrophobicContact CG2-CD2 3.75Å; I38-F42 HydrophobicContact CG2-CE2 3.63Å; I38-F42 WeakPolarHBondContact O-CD2 3.31Å; I38-F42 PolarHBondContact O-N 2.92Å
39	G	96.9	Very high	95.7	Very high	37 Å²	37	63.1 Å²	63.1	38%	0.381	35%	0.348	S	S	.	.	H	α-helix	trans	-57.1	-40.8	175.7	0	0	0	0	0	112.8	I35 S36 L37 H41 F42 L43	I35-G39 PolarHBondContact O-N 3.45Å; S36-G39 PolarHBondContact O-N 2.76Å; L37-G39 VanDerWaalsContact C-N 3.34Å; L37-G39 PolarHBondContact O-N 2.79Å; G39-H41 PolarHBondContact O-N 3.28Å; G39-F42 PolarHBondContact O-N 3.24Å; G39-L43 WeakPolarHBondContact O-CB 3.44Å; G39-L43 PolarHBondContact O-N 2.87Å
40	F	97.3	Very high	96.1	Very high	88 Å²	88	60.1 Å²	60.1	39%	0.386	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-42.6	173.7	171	-93.5	0	0	0	112	S36 L37 I38 L43 T44 W103	S36-F40 WeakPolarHBondContact O-CB 3.5Å; S36-F40 PolarHBondContact O-N 3.08Å; L37-F40 HydrophobicContact CD1-CD1 4.33Å; L37-F40 WeakPolarHBondContact O-CB 3.32Å; L37-F40 PolarHBondContact O-N 3.18Å; I38-F40 VanDerWaalsContact C-N 3.29Å; I38-F40 PolarHBondContact O-N 3.14Å; F40-L43 PolarHBondContact O-N 3.37Å; F40-T44 HydrophobicContact CD1-CG2 4.25Å; F40-T44 HydrophobicContact CD2-CG2 4.19Å; F40-T44 HydrophobicContact CE1-CG2 3.81Å; F40-T44 HydrophobicContact CE2-CG2 3.76Å; F40-T44 HydrophobicContact CG-CG2 4.43Å; F40-T44 HydrophobicContact CZ-CG2 3.55Å; F40-T44 WeakPolarHBondContact O-CB 3.31Å; F40-T44 VanDerWaalsContact O-CG2 3.32Å; F40-T44 WeakPolarHBondContact O-CG2 3.35Å; F40-T44 PolarHBondContact O-N 3.35Å; F40-T44 PolarHBondContact O-OG1 2.6Å; F40-W103 HydrophobicContact CD1-CH2 4.34Å; F40-W103 AromaticContact CD1-CZ3 3.81Å; F40-W103 HydrophobicContact CD1-CZ3 3.81Å; F40-W103 AromaticContact CE1-CH2 3.56Å; F40-W103 HydrophobicContact CE1-CH2 3.56Å; F40-W103 AromaticContact CE1-CZ3 3.46Å; F40-W103 HydrophobicContact CE1-CZ3 3.46Å; F40-W103 VanDerWaalsContact CE1-CZ3 3.46Å; F40-W103 HydrophobicContact CZ-CH2 4.07Å; F40-W103 HydrophobicContact CZ-CZ3 4.35Å
41	H	97.3	Very high	96.3	Very high	18 Å²	18	60.4 Å²	60.4	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-43.9	175.4	-70	-51.7	0	0	0	112.3	L37 I38 G39 L43 T44 T45 I102 W103 P106	L37-H41 PolarHBondContact O-CD2 3.37Å; L37-H41 PolarHBondContact O-N 2.96Å; I38-H41 PolarHBondContact O-N 3.04Å; I38-H41 VanDerWaalsContact O-N 3.08Å; G39-H41 PolarHBondContact O-N 3.28Å; H41-L43 PolarHBondContact O-N 3.26Å; H41-T44 WeakPolarHBondContact CA-OG1 3.25Å; H41-T44 PolarHBondContact O-N 3.43Å; H41-T44 PolarHBondContact O-OG1 3.48Å; H41-T45 PolarHBondContact O-N 3.32Å; H41-T45 PolarHBondContact O-OG1 3.31Å; H41-I102 PolarHBondContact NE2-O 2.82Å; H41-W103 AromaticContact CE1-CE3 3.64Å; H41-W103 AromaticContact CE1-CZ3 3.93Å; H41-W103 AromaticContact NE2-CE3 3.83Å; H41-P106 HydrophobicContact CB-CB 4.34Å
42	F	97.7	Very high	96.4	Very high	141 Å²	141	66.2 Å²	66.2	62%	0.618	35%	0.351	S	S	*	.	H	α-helix	trans	-60.3	-46	174	-83.8	-78.4	0	0	0	111.8	I38 G39 T44 T45 M46	I38-F42 HydrophobicContact CG2-CD2 3.75Å; I38-F42 HydrophobicContact CG2-CE2 3.63Å; I38-F42 WeakPolarHBondContact O-CD2 3.31Å; I38-F42 PolarHBondContact O-N 2.92Å; G39-F42 PolarHBondContact O-N 3.24Å; F42-T44 PolarHBondContact O-N 2.99Å; F42-T45 PolarHBondContact O-N 3.37Å; F42-M46 VanDerWaalsContact O-CG 3.31Å; F42-M46 WeakPolarHBondContact O-CG 3.35Å; F42-M46 PolarHBondContact O-N 3.27Å
43	L	97.4	Very high	96.5	Very high	110 Å²	110	68.9 Å²	68.9	58%	0.576	36%	0.357	S	S	*	.	H	α-helix	trans	-62.1	-45.1	179.2	-179.8	61.3	0	0	0	111.7	G39 F40 H41 M46 C47	G39-L43 WeakPolarHBondContact O-CB 3.44Å; G39-L43 PolarHBondContact O-N 2.87Å; F40-L43 PolarHBondContact O-N 3.37Å; H41-L43 PolarHBondContact O-N 3.26Å; L43-M46 PolarHBondContact O-N 3.04Å; L43-C47 WeakPolarHBondContact O-CB 3.49Å; L43-C47 PolarHBondContact O-N 2.78Å; L43-C47 PolarHBondContact O-SG 3.42Å
44	T	96.5	Very high	96.5	Very high	35 Å²	35	73.7 Å²	73.7	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-41.8	177.8	49.5	0	0	0	0	111.6	F40 H41 F42 M46 C47 V48	F40-T44 HydrophobicContact CD1-CG2 4.25Å; F40-T44 HydrophobicContact CD2-CG2 4.19Å; F40-T44 HydrophobicContact CE1-CG2 3.81Å; F40-T44 HydrophobicContact CE2-CG2 3.76Å; F40-T44 HydrophobicContact CG-CG2 4.43Å; F40-T44 HydrophobicContact CZ-CG2 3.55Å; F40-T44 WeakPolarHBondContact O-CB 3.31Å; F40-T44 VanDerWaalsContact O-CG2 3.32Å; F40-T44 WeakPolarHBondContact O-CG2 3.35Å; F40-T44 PolarHBondContact O-N 3.35Å; F40-T44 PolarHBondContact O-OG1 2.6Å; H41-T44 WeakPolarHBondContact CA-OG1 3.25Å; H41-T44 PolarHBondContact O-N 3.43Å; H41-T44 PolarHBondContact O-OG1 3.48Å; F42-T44 PolarHBondContact O-N 2.99Å; T44-M46 PolarHBondContact O-N 3.13Å; T44-C47 WeakPolarHBondContact O-CB 3.49Å; T44-C47 PolarHBondContact O-N 2.82Å; T44-V48 WeakPolarHBondContact O-CG2 3.35Å; T44-V48 PolarHBondContact O-N 3Å
45	T	97.8	Very high	96.5	Very high	37 Å²	37	76.5 Å²	76.5	23%	0.227	39%	0.393	C	S	.	.	H	α-helix	trans	-60.3	-44.8	172.5	-58.2	0	0	0	0	111.8	H41 F42 C47 V48 I49 N110	H41-T45 PolarHBondContact O-N 3.32Å; H41-T45 PolarHBondContact O-OG1 3.31Å; F42-T45 PolarHBondContact O-N 3.37Å; T45-C47 VanDerWaalsContact C-N 3.34Å; T45-C47 PolarHBondContact O-N 2.6Å; T45-V48 PolarHBondContact O-N 3.36Å; T45-I49 HydrophobicContact CG2-CD1 4.01Å; T45-I49 WeakPolarHBondContact O-CG1 3.46Å; T45-I49 PolarHBondContact O-N 3.16Å; T45-N110 VanDerWaalsContact CA-OD1 3.29Å; T45-N110 WeakPolarHBondContact CA-OD1 3.48Å; T45-N110 WeakPolarHBondContact CB-OD1 3.33Å; T45-N110 VanDerWaalsContact OG1-CG 3.3Å; T45-N110 PolarHBondContact OG1-ND2 2.96Å; T45-N110 VanDerWaalsContact OG1-ND2 3.16Å; T45-N110 PolarHBondContact OG1-OD1 3.37Å
46	M	97.6	Very high	96.5	Very high	102 Å²	102	78.8 Å²	78.8	50%	0.502	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-41.9	176.8	-69.7	-53.4	105.5	0	0	111.8	F42 L43 T44 I49 A50	F42-M46 VanDerWaalsContact O-CG 3.31Å; F42-M46 WeakPolarHBondContact O-CG 3.35Å; F42-M46 PolarHBondContact O-N 3.27Å; L43-M46 PolarHBondContact O-N 3.04Å; T44-M46 PolarHBondContact O-N 3.13Å; M46-I49 HydrophobicContact CE-CD1 3.97Å; M46-I49 PolarHBondContact O-N 3.39Å; M46-A50 VanDerWaalsContact O-CB 3.25Å; M46-A50 WeakPolarHBondContact O-CB 3.48Å; M46-A50 PolarHBondContact O-N 3.47Å
47	C	96.7	Very high	96.5	Very high	41 Å²	41	78.3 Å²	78.3	28%	0.277	40%	0.397	S	S	.	.	H	α-helix	trans	-58.9	-47	174.1	-75.1	0	0	0	0	111.5	L43 T44 T45 I49 A50 F51	L43-C47 WeakPolarHBondContact O-CB 3.49Å; L43-C47 PolarHBondContact O-N 2.78Å; L43-C47 PolarHBondContact O-SG 3.42Å; T44-C47 WeakPolarHBondContact O-CB 3.49Å; T44-C47 PolarHBondContact O-N 2.82Å; T45-C47 VanDerWaalsContact C-N 3.34Å; T45-C47 PolarHBondContact O-N 2.6Å; C47-I49 VanDerWaalsContact C-N 3.31Å; C47-I49 PolarHBondContact O-N 3.07Å; C47-A50 PolarHBondContact O-N 3.25Å; C47-F51 HydrophobicContact CB-CD2 4.12Å; C47-F51 HydrophobicContact CB-CE2 4.27Å; C47-F51 WeakPolarHBondContact O-CB 3.37Å; C47-F51 WeakPolarHBondContact O-CD2 3.32Å; C47-F51 PolarHBondContact O-N 3.43Å
48	V	97.6	Very high	96.6	Very high	1 Å²	1	76.9 Å²	76.9	1%	0.006	39%	0.39	C	S	.	.	H	α-helix	trans	-57.4	-44.7	176.8	169.1	0	0	0	0	111.2	T44 T45 R52 I61 L113 I114 L117	T44-V48 WeakPolarHBondContact O-CG2 3.35Å; T44-V48 PolarHBondContact O-N 3Å; T45-V48 PolarHBondContact O-N 3.36Å; V48-R52 WeakPolarHBondContact O-CA 3.37Å; V48-R52 PolarHBondContact O-N 2.86Å; V48-R52 VanDerWaalsContact O-N 3.13Å; V48-I61 HydrophobicContact CG2-CG2 4.21Å; V48-L113 HydrophobicContact CG1-CD2 3.88Å; V48-L113 HydrophobicContact CG1-CG 4.09Å; V48-I114 HydrophobicContact CB-CG1 4.42Å; V48-I114 HydrophobicContact CG1-CG1 3.66Å; V48-I114 HydrophobicContact CG2-CD1 3.77Å; V48-I114 HydrophobicContact CG2-CG1 3.79Å; V48-L117 HydrophobicContact CG1-CD1 4.03Å
49	I	97.1	Very high	96.7	Very high	70 Å²	70	77.2 Å²	77.2	36%	0.359	39%	0.392	S	S	.	.	H	α-helix	trans	-68.7	-42.6	-179.9	-66.6	168.7	0	0	0	111.8	T45 M46 C47 R52 L113	T45-I49 HydrophobicContact CG2-CD1 4.01Å; T45-I49 WeakPolarHBondContact O-CG1 3.46Å; T45-I49 PolarHBondContact O-N 3.16Å; M46-I49 HydrophobicContact CE-CD1 3.97Å; M46-I49 PolarHBondContact O-N 3.39Å; C47-I49 VanDerWaalsContact C-N 3.31Å; C47-I49 PolarHBondContact O-N 3.07Å; I49-R52 WeakPolarHBondContact O-CB 3.47Å; I49-R52 WeakPolarHBondContact O-CD 3.26Å; I49-R52 VanDerWaalsContact O-CG 3.26Å; I49-R52 WeakPolarHBondContact O-CG 3.42Å; I49-R52 PolarHBondContact O-NH1 3.42Å; I49-L113 HydrophobicContact CG1-CD2 4.34Å
50	A	97.2	Very high	96.7	Very high	68 Å²	68	78.7 Å²	78.7	56%	0.562	40%	0.396	S	S	*	.	H	α-helix	trans	-67	-44.4	-179.3	0	0	0	0	0	111.2	M46 C47 R52	M46-A50 VanDerWaalsContact O-CB 3.25Å; M46-A50 WeakPolarHBondContact O-CB 3.48Å; M46-A50 PolarHBondContact O-N 3.47Å; C47-A50 PolarHBondContact O-N 3.25Å; A50-R52 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 3.01Å
51	F	95.6	Very high	96.6	Very high	81 Å²	81	76.2 Å²	76.2	36%	0.355	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9.5	-176.8	-62	-62.2	0	0	0	114	C47 K53 Y54 L57 L58	C47-F51 HydrophobicContact CB-CD2 4.12Å; C47-F51 HydrophobicContact CB-CE2 4.27Å; C47-F51 WeakPolarHBondContact O-CB 3.37Å; C47-F51 WeakPolarHBondContact O-CD2 3.32Å; C47-F51 PolarHBondContact O-N 3.43Å; F51-K53 PolarHBondContact O-N 3.03Å; F51-Y54 HydrophobicContact CB-CD2 4.07Å; F51-Y54 AromaticContact CD1-CD2 3.85Å; F51-Y54 HydrophobicContact CD1-CD2 3.85Å; F51-Y54 HydrophobicContact CD1-CE2 4.03Å; F51-Y54 HydrophobicContact CG-CD2 4.46Å; F51-Y54 WeakPolarHBondContact O-CD2 2.99Å; F51-Y54 PolarHBondContact O-N 2.91Å; F51-L57 HydrophobicContact CB-CD2 3.78Å; F51-L57 HydrophobicContact CD1-CD2 3.89Å; F51-L57 HydrophobicContact CD2-CD2 3.95Å; F51-L57 HydrophobicContact CE1-CD2 4.49Å; F51-L57 HydrophobicContact CG-CD2 3.59Å; F51-L58 HydrophobicContact CB-CD1 4.38Å; F51-L58 WeakPolarHBondContact O-CD1 3.48Å
52	R	95.4	Very high	96.7	Very high	123 Å²	123	76.1 Å²	76.1	46%	0.464	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-14.5	-174.6	70.3	179.6	178.2	-102.1	8.6	117.2	V48 I49 A50 L117 Q121	V48-R52 WeakPolarHBondContact O-CA 3.37Å; V48-R52 PolarHBondContact O-N 2.86Å; V48-R52 VanDerWaalsContact O-N 3.13Å; I49-R52 WeakPolarHBondContact O-CB 3.47Å; I49-R52 WeakPolarHBondContact O-CD 3.26Å; I49-R52 VanDerWaalsContact O-CG 3.26Å; I49-R52 WeakPolarHBondContact O-CG 3.42Å; I49-R52 PolarHBondContact O-NH1 3.42Å; A50-R52 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 3.01Å; R52-L117 HydrophobicContact CB-CD1 3.97Å; R52-L117 HydrophobicContact CB-CD2 4.43Å; R52-Q121 PolarHBondContact O-NE2 2.92Å
53	K	94.2	Very high	96.7	Very high	174 Å²	174	74.6 Å²	74.6	76%	0.757	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-13.6	176.7	-63.9	-176.5	179.3	-179.8	0	113.5	F51 T55	F51-K53 PolarHBondContact O-N 3.03Å; K53-T55 PolarHBondContact O-N 3.21Å
54	Y	95.8	Very high	96.7	Very high	152 Å²	152	75 Å²	75	60%	0.596	39%	0.385	S	S	*	.			trans	-97.1	81.8	-176.6	-59.7	-78.8	0	0	0	110.3	F51 N56 L57 L58	F51-Y54 HydrophobicContact CB-CD2 4.07Å; F51-Y54 AromaticContact CD1-CD2 3.85Å; F51-Y54 HydrophobicContact CD1-CD2 3.85Å; F51-Y54 HydrophobicContact CD1-CE2 4.03Å; F51-Y54 HydrophobicContact CG-CD2 4.46Å; F51-Y54 WeakPolarHBondContact O-CD2 2.99Å; F51-Y54 PolarHBondContact O-N 2.91Å; Y54-N56 VanDerWaalsContact C-N 3.31Å; Y54-N56 PolarHBondContact O-N 3.31Å; Y54-L57 PolarHBondContact O-N 3.4Å; Y54-L58 VanDerWaalsContact O-CD1 3.29Å; Y54-L58 WeakPolarHBondContact O-CD1 3.38Å; Y54-L58 PolarHBondContact O-N 2.91Å
55	T	95	Very high	96.7	Very high	59 Å²	59	74.2 Å²	74.2	36%	0.362	38%	0.381	S	S	.	.	H	α-helix	trans	-50	-45.9	-174.7	-46.8	0	0	0	0	113.6	K53 L57 L58 L59 L118 Q121	K53-T55 PolarHBondContact O-N 3.21Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.91Å; T55-L58 WeakPolarHBondContact O-CB 3.47Å; T55-L58 PolarHBondContact O-N 3.23Å; T55-L59 PolarHBondContact O-N 3.17Å; T55-L118 HydrophobicContact CG2-CD2 3.72Å; T55-Q121 PolarHBondContact OG1-OE1 3.35Å
56	N	95.7	Very high	96.8	Very high	133 Å²	133	76.8 Å²	76.8	71%	0.711	39%	0.393	S	S	*	.	H	α-helix	trans	-63.1	-40.7	-179	-64.7	-16.1	0	0	0	111.7	Y54 L59 C60	Y54-N56 VanDerWaalsContact C-N 3.31Å; Y54-N56 PolarHBondContact O-N 3.31Å; N56-L59 PolarHBondContact O-N 2.88Å; N56-C60 PolarHBondContact O-N 3.42Å; N56-C60 PolarHBondContact O-SG 2.81Å
57	L	96.2	Very high	96.8	Very high	71 Å²	71	73.4 Å²	73.4	37%	0.372	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-41.5	177.1	179.9	57.6	0	0	0	111	F51 Y54 T55 L59 C60 I61	F51-L57 HydrophobicContact CB-CD2 3.78Å; F51-L57 HydrophobicContact CD1-CD2 3.89Å; F51-L57 HydrophobicContact CD2-CD2 3.95Å; F51-L57 HydrophobicContact CE1-CD2 4.49Å; F51-L57 HydrophobicContact CG-CD2 3.59Å; Y54-L57 PolarHBondContact O-N 3.4Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.91Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.22Å; L57-C60 PolarHBondContact O-N 2.78Å; L57-I61 HydrophobicContact CD1-CD1 4.25Å; L57-I61 HydrophobicContact CD1-CG1 4.34Å; L57-I61 HydrophobicContact CG-CD1 4.05Å; L57-I61 VanDerWaalsContact O-CG1 3.32Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.34Å
58	L	97.3	Very high	96.8	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-43.8	174.2	-93.1	71.9	0	0	0	111.5	F51 Y54 T55 I61 L62 I114 L117 L118	F51-L58 HydrophobicContact CB-CD1 4.38Å; F51-L58 WeakPolarHBondContact O-CD1 3.48Å; Y54-L58 VanDerWaalsContact O-CD1 3.29Å; Y54-L58 WeakPolarHBondContact O-CD1 3.38Å; Y54-L58 PolarHBondContact O-N 2.91Å; T55-L58 WeakPolarHBondContact O-CB 3.47Å; T55-L58 PolarHBondContact O-N 3.23Å; L58-I61 PolarHBondContact O-N 3.47Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 2.87Å; L58-I114 HydrophobicContact CB-CG2 4.03Å; L58-I114 HydrophobicContact CD2-CG2 4.32Å; L58-I114 HydrophobicContact CG-CG2 4.32Å; L58-L117 HydrophobicContact CD2-CB 3.97Å; L58-L117 HydrophobicContact CD2-CD1 4.02Å; L58-L118 HydrophobicContact CB-CD2 4.25Å
59	L	97.5	Very high	96.8	Very high	80 Å²	80	74.7 Å²	74.7	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-42.9	177.4	-175.7	64.5	0	0	0	111.4	T55 N56 L57 L62 L63	T55-L59 PolarHBondContact O-N 3.17Å; N56-L59 PolarHBondContact O-N 2.88Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.22Å; L59-L62 PolarHBondContact O-N 2.98Å; L59-L63 HydrophobicContact CD1-CD1 4.49Å; L59-L63 HydrophobicContact CD1-CG 4.39Å; L59-L63 HydrophobicContact CG-CD1 4.19Å; L59-L63 HydrophobicContact CG-CG 4.48Å; L59-L63 VanDerWaalsContact O-CG 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 2.94Å
60	C	97.4	Very high	96.8	Very high	68 Å²	68	80.9 Å²	80.9	46%	0.459	41%	0.41	S	S	.	.	H	α-helix	trans	-59.5	-47.6	174	-68.5	0	0	0	0	111.8	N56 L57 L62 L63 I64	N56-C60 PolarHBondContact O-N 3.42Å; N56-C60 PolarHBondContact O-SG 2.81Å; L57-C60 PolarHBondContact O-N 2.78Å; C60-L62 VanDerWaalsContact C-N 3.31Å; C60-L62 PolarHBondContact O-N 3.36Å; C60-L63 PolarHBondContact O-N 3.26Å; C60-I64 WeakPolarHBondContact O-CB 3.44Å; C60-I64 VanDerWaalsContact O-CG1 3.26Å; C60-I64 WeakPolarHBondContact O-CG1 3.29Å; C60-I64 PolarHBondContact O-N 3.29Å
61	I	96.7	Very high	96.8	Very high	36 Å²	36	80 Å²	80	19%	0.185	40%	0.399	C	S	.	.	H	α-helix	trans	-60.4	-42.5	177.6	-66.1	167.3	0	0	0	110.5	V48 L57 L58 S65 I114	V48-I61 HydrophobicContact CG2-CG2 4.21Å; L57-I61 HydrophobicContact CD1-CD1 4.25Å; L57-I61 HydrophobicContact CD1-CG1 4.34Å; L57-I61 HydrophobicContact CG-CD1 4.05Å; L57-I61 VanDerWaalsContact O-CG1 3.32Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.34Å; L58-I61 PolarHBondContact O-N 3.47Å; I61-S65 VanDerWaalsContact O-CB 3.23Å; I61-S65 WeakPolarHBondContact O-CB 3.37Å; I61-S65 PolarHBondContact O-N 3.19Å; I61-S65 PolarHBondContact O-OG 3.33Å; I61-I114 HydrophobicContact CB-CD1 4.28Å; I61-I114 HydrophobicContact CG2-CD1 3.72Å
62	L	98.1	Very high	96.8	Very high	17 Å²	17	76.9 Å²	76.9	9%	0.089	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-50	177.2	179.4	64.3	0	0	0	111.6	L58 L59 C60 I64 S65 L66 I114 V115 L118	L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 2.87Å; L59-L62 PolarHBondContact O-N 2.98Å; C60-L62 VanDerWaalsContact C-N 3.31Å; C60-L62 PolarHBondContact O-N 3.36Å; L62-I64 PolarHBondContact O-N 3.34Å; L62-S65 WeakPolarHBondContact O-CB 3.49Å; L62-S65 PolarHBondContact O-N 3.28Å; L62-L66 HydrophobicContact CD1-CD1 4.16Å; L62-L66 HydrophobicContact CD1-CG 4.21Å; L62-L66 HydrophobicContact CG-CD1 4.14Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 3.21Å; L62-I114 HydrophobicContact CB-CD1 4.3Å; L62-I114 HydrophobicContact CB-CG2 3.94Å; L62-I114 HydrophobicContact CD1-CB 4.46Å; L62-I114 HydrophobicContact CD1-CG2 4.47Å; L62-I114 HydrophobicContact CD2-CG2 4.32Å; L62-I114 HydrophobicContact CG-CG2 4.48Å; L62-V115 HydrophobicContact CD1-CG2 4.26Å; L62-V115 HydrophobicContact CD2-CG2 4.17Å; L62-L118 HydrophobicContact CD2-CD1 3.94Å
63	L	98.2	Very high	96.8	Very high	109 Å²	109	75.5 Å²	75.5	57%	0.571	39%	0.386	S	S	*	.	H	α-helix	trans	-63.6	-41.6	-179	-69.3	175.2	0	0	0	111.9	L59 C60 G67	L59-L63 HydrophobicContact CD1-CD1 4.49Å; L59-L63 HydrophobicContact CD1-CG 4.39Å; L59-L63 HydrophobicContact CG-CD1 4.19Å; L59-L63 HydrophobicContact CG-CG 4.48Å; L59-L63 VanDerWaalsContact O-CG 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 2.94Å; C60-L63 PolarHBondContact O-N 3.26Å; L63-G67 PolarHBondContact O-N 2.83Å
64	I	97.6	Very high	97	Very high	118 Å²	118	73.9 Å²	73.9	61%	0.605	38%	0.375	S	S	*	.	H	α-helix	trans	-62.2	-45.9	174.5	-68.5	166.9	0	0	0	110.2	C60 L62 L66 G67 T68	C60-I64 WeakPolarHBondContact O-CB 3.44Å; C60-I64 VanDerWaalsContact O-CG1 3.26Å; C60-I64 WeakPolarHBondContact O-CG1 3.29Å; C60-I64 PolarHBondContact O-N 3.29Å; L62-I64 PolarHBondContact O-N 3.34Å; I64-L66 PolarHBondContact O-N 3.46Å; I64-G67 PolarHBondContact O-N 3.46Å; I64-T68 WeakPolarHBondContact O-CG2 3.37Å; I64-T68 PolarHBondContact O-N 2.91Å
65	S	97.2	Very high	97	Very high	19 Å²	19	70 Å²	70	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-43.9	179.6	-63.3	0	0	0	0	112.5	I61 L62 G67 T68 V69 V107	I61-S65 VanDerWaalsContact O-CB 3.23Å; I61-S65 WeakPolarHBondContact O-CB 3.37Å; I61-S65 PolarHBondContact O-N 3.19Å; I61-S65 PolarHBondContact O-OG 3.33Å; L62-S65 WeakPolarHBondContact O-CB 3.49Å; L62-S65 PolarHBondContact O-N 3.28Å; S65-G67 VanDerWaalsContact C-N 3.33Å; S65-T68 PolarHBondContact O-N 3.23Å; S65-T68 PolarHBondContact O-OG1 3.16Å; S65-V69 WeakPolarHBondContact O-CG2 3.37Å; S65-V69 PolarHBondContact O-N 3.27Å; S65-V69 VanDerWaalsContact O-N 3.11Å; S65-V107 WeakPolarHBondContact O-CG1 3.4Å
66	L	97.8	Very high	97.1	Very high	90 Å²	90	67.4 Å²	67.4	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-67.1	-37.6	175.5	-66.7	177.6	0	0	0	111.5	L62 I64 T68 V69 W70	L62-L66 HydrophobicContact CD1-CD1 4.16Å; L62-L66 HydrophobicContact CD1-CG 4.21Å; L62-L66 HydrophobicContact CG-CD1 4.14Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 3.21Å; I64-L66 PolarHBondContact O-N 3.46Å; L66-T68 VanDerWaalsContact C-N 3.33Å; L66-T68 PolarHBondContact O-N 2.89Å; L66-V69 PolarHBondContact O-N 3.49Å; L66-W70 WeakPolarHBondContact O-CB 3.49Å; L66-W70 PolarHBondContact O-N 3.32Å
67	G	97.9	Very high	97.2	Very high	32 Å²	32	65.5 Å²	65.5	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-40.8	174.1	0	0	0	0	0	112.5	L63 I64 S65 W70 C71	L63-G67 PolarHBondContact O-N 2.83Å; I64-G67 PolarHBondContact O-N 3.46Å; S65-G67 VanDerWaalsContact C-N 3.33Å; G67-W70 PolarHBondContact O-N 2.98Å; G67-C71 WeakPolarHBondContact O-CB 3.34Å; G67-C71 PolarHBondContact O-N 3.35Å; G67-C71 PolarHBondContact O-SG 3.41Å
68	T	96.7	Very high	97.3	Very high	37 Å²	37	68.9 Å²	68.9	23%	0.227	35%	0.347	C	S	.	.	H	α-helix	trans	-73.7	-31.1	178	60.2	0	0	0	0	113.4	I64 S65 L66 C71 S72 W103	I64-T68 WeakPolarHBondContact O-CG2 3.37Å; I64-T68 PolarHBondContact O-N 2.91Å; S65-T68 PolarHBondContact O-N 3.23Å; S65-T68 PolarHBondContact O-OG1 3.16Å; L66-T68 VanDerWaalsContact C-N 3.33Å; L66-T68 PolarHBondContact O-N 2.89Å; T68-C71 PolarHBondContact O-N 3.48Å; T68-S72 PolarHBondContact O-N 3.03Å; T68-S72 VanDerWaalsContact O-N 3.13Å; T68-W103 HydrophobicContact CG2-CZ2 3.95Å; T68-W103 PolarHBondContact O-NE1 2.64Å; T68-W103 WeakPolarHBondContact OG1-CZ2 3.47Å
69	V	97.6	Very high	97.2	Very high	32 Å²	32	69.2 Å²	69.2	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-66.4	-44.8	170.7	171.5	0	0	0	0	110.3	S65 L66 C71 S72 V107 I108	S65-V69 WeakPolarHBondContact O-CG2 3.37Å; S65-V69 PolarHBondContact O-N 3.27Å; S65-V69 VanDerWaalsContact O-N 3.11Å; L66-V69 PolarHBondContact O-N 3.49Å; V69-C71 VanDerWaalsContact C-N 3.27Å; V69-C71 PolarHBondContact O-N 3.47Å; V69-S72 VanDerWaalsContact O-CB 3.24Å; V69-S72 WeakPolarHBondContact O-CB 3.32Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 VanDerWaalsContact O-N 3.1Å; V69-S72 PolarHBondContact O-OG 2.94Å; V69-S72 VanDerWaalsContact O-OG 3.05Å; V69-V107 HydrophobicContact CG2-CB 4.04Å; V69-V107 HydrophobicContact CG2-CG1 3.6Å; V69-I108 HydrophobicContact CG2-CG1 4.29Å
70	W	96.8	Very high	97.2	Very high	200 Å²	200	66.6 Å²	66.6	76%	0.758	34%	0.34	S	S	*	.	H	α-helix	trans	-58.6	-42	175	-179.8	-92.7	0	0	0	111.6	L66 G67 S72 W74	L66-W70 WeakPolarHBondContact O-CB 3.49Å; L66-W70 PolarHBondContact O-N 3.32Å; G67-W70 PolarHBondContact O-N 2.98Å; W70-S72 PolarHBondContact O-N 2.89Å; W70-W74 AromaticContact CD1-CH2 3.93Å; W70-W74 AromaticContact CD1-CZ3 3.63Å; W70-W74 AromaticContact NE1-CH2 3.51Å; W70-W74 AromaticContact NE1-CZ3 3.73Å
71	C	97.2	Very high	97.2	Very high	48 Å²	48	69.4 Å²	69.4	32%	0.324	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	0.8	178.6	-66	0	0	0	0	114.9	G67 T68 V69 H73 W74 I75	G67-C71 WeakPolarHBondContact O-CB 3.34Å; G67-C71 PolarHBondContact O-N 3.35Å; G67-C71 PolarHBondContact O-SG 3.41Å; T68-C71 PolarHBondContact O-N 3.48Å; V69-C71 VanDerWaalsContact C-N 3.27Å; V69-C71 PolarHBondContact O-N 3.47Å; C71-H73 PolarHBondContact O-N 2.86Å; C71-W74 VanDerWaalsContact CA-CE3 3.47Å; C71-W74 HydrophobicContact CB-CE3 3.86Å; C71-W74 HydrophobicContact CB-CZ3 4.21Å; C71-W74 PolarHBondContact O-N 2.9Å; C71-W74 VanDerWaalsContact O-N 3.17Å; C71-I75 HydrophobicContact CB-CD1 4.25Å; C71-I75 WeakPolarHBondContact O-CG1 3.42Å; C71-I75 PolarHBondContact O-N 3.25Å
72	S	97.3	Very high	97.2	Very high	16 Å²	16	70 Å²	70	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-32.5	-170.4	74.8	0	0	0	0	113	T68 V69 W70 I75 N76 N104	T68-S72 PolarHBondContact O-N 3.03Å; T68-S72 VanDerWaalsContact O-N 3.13Å; V69-S72 VanDerWaalsContact O-CB 3.24Å; V69-S72 WeakPolarHBondContact O-CB 3.32Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 VanDerWaalsContact O-N 3.1Å; V69-S72 PolarHBondContact O-OG 2.94Å; V69-S72 VanDerWaalsContact O-OG 3.05Å; W70-S72 PolarHBondContact O-N 2.89Å; S72-I75 PolarHBondContact O-N 3.44Å; S72-N76 VanDerWaalsContact O-CB 3.28Å; S72-N76 WeakPolarHBondContact O-CB 3.25Å; S72-N76 PolarHBondContact O-N 3.42Å; S72-N104 WeakPolarHBondContact CB-ND2 3.23Å; S72-N104 VanDerWaalsContact CB-OD1 3.23Å; S72-N104 WeakPolarHBondContact CB-OD1 3.24Å; S72-N104 PolarHBondContact OG-ND2 3.37Å
73	H	95.7	Very high	97.1	Very high	95 Å²	95	73.3 Å²	73.3	44%	0.44	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-47.5	177.2	176.2	59.4	0	0	0	111.9	C71 I75 N76 E77	C71-H73 PolarHBondContact O-N 2.86Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 3.28Å; H73-N76 WeakPolarHBondContact O-CB 3.36Å; H73-N76 PolarHBondContact O-N 3.3Å; H73-E77 IonicContact CE1-OE1 3.36Å; H73-E77 PolarHBondContact CE1-OE1 2.84Å; H73-E77 IonicContact NE2-OE1 3.4Å; H73-E77 PolarHBondContact NE2-OE1 3.11Å; H73-E77 PolarHBondContact O-N 2.9Å
74	W	97	Very high	97	Very high	139 Å²	139	73.2 Å²	73.2	53%	0.527	37%	0.365	S	S	.	.	H	α-helix	trans	-66.7	-36.9	176.8	-58.5	-58.8	0	0	0	112.3	W70 C71 N76 E77 F78	W70-W74 AromaticContact CD1-CH2 3.93Å; W70-W74 AromaticContact CD1-CZ3 3.63Å; W70-W74 AromaticContact NE1-CH2 3.51Å; W70-W74 AromaticContact NE1-CZ3 3.73Å; C71-W74 VanDerWaalsContact CA-CE3 3.47Å; C71-W74 HydrophobicContact CB-CE3 3.86Å; C71-W74 HydrophobicContact CB-CZ3 4.21Å; C71-W74 PolarHBondContact O-N 2.9Å; C71-W74 VanDerWaalsContact O-N 3.17Å; W74-N76 VanDerWaalsContact C-N 3.3Å; W74-N76 PolarHBondContact O-N 3.05Å; W74-E77 PolarHBondContact O-N 3.47Å; W74-F78 VanDerWaalsContact O-CB 3.29Å; W74-F78 WeakPolarHBondContact O-CB 3.33Å; W74-F78 PolarHBondContact O-N 2.92Å
75	I	96.6	Very high	96.9	Very high	70 Å²	70	74 Å²	74	36%	0.359	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-43.5	173.8	-65.9	167.5	0	0	0	109.9	C71 S72 H73 F78 A79 I99	C71-I75 HydrophobicContact CB-CD1 4.25Å; C71-I75 WeakPolarHBondContact O-CG1 3.42Å; C71-I75 PolarHBondContact O-N 3.25Å; S72-I75 PolarHBondContact O-N 3.44Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 3.28Å; I75-F78 PolarHBondContact O-N 3.3Å; I75-A79 WeakPolarHBondContact O-CB 3.29Å; I75-A79 PolarHBondContact O-N 3.32Å; I75-I99 HydrophobicContact CG2-CD1 4.19Å
76	N	97.4	Very high	96.8	Very high	5 Å²	5	77.2 Å²	77.2	3%	0.027	38%	0.382	C	S	.	.	H	α-helix	trans	-62	-48.1	178.2	-174.7	81	0	0	0	112.3	S72 H73 W74 A79 A80 D93 I99	S72-N76 VanDerWaalsContact O-CB 3.28Å; S72-N76 WeakPolarHBondContact O-CB 3.25Å; S72-N76 PolarHBondContact O-N 3.42Å; H73-N76 WeakPolarHBondContact O-CB 3.36Å; H73-N76 PolarHBondContact O-N 3.3Å; W74-N76 VanDerWaalsContact C-N 3.3Å; W74-N76 PolarHBondContact O-N 3.05Å; N76-A79 PolarHBondContact O-N 3.42Å; N76-A80 VanDerWaalsContact O-CB 3.24Å; N76-A80 WeakPolarHBondContact O-CB 3.12Å; N76-A80 PolarHBondContact O-N 3.3Å; N76-D93 PolarHBondContact ND2-O 3.02Å; N76-I99 HydrophobicContact CB-CB 4.21Å; N76-I99 HydrophobicContact CB-CG1 4.43Å; N76-I99 HydrophobicContact CB-CG2 3.84Å; N76-I99 WeakPolarHBondContact OD1-CG2 3.26Å
77	E	97.6	Very high	96.6	Very high	93 Å²	93	73.3 Å²	73.3	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-43.7	177.1	-69.1	-173.6	153.2	0	0	112.1	H73 W74 A79 A80 N81	H73-E77 IonicContact CE1-OE1 3.36Å; H73-E77 PolarHBondContact CE1-OE1 2.84Å; H73-E77 IonicContact NE2-OE1 3.4Å; H73-E77 PolarHBondContact NE2-OE1 3.11Å; H73-E77 PolarHBondContact O-N 2.9Å; W74-E77 PolarHBondContact O-N 3.47Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-A79 PolarHBondContact O-N 2.99Å; E77-A80 PolarHBondContact O-N 2.9Å; E77-N81 PolarHBondContact O-N 3.49Å; E77-N81 PolarHBondContact O-ND2 3.04Å; E77-N81 VanDerWaalsContact O-ND2 3.11Å
78	F	97.2	Very high	96.4	Very high	142 Å²	142	75.7 Å²	75.7	62%	0.623	37%	0.371	S	S	*	.	H	α-helix	trans	-60.2	-45.4	176.9	178.4	-97.2	0	0	0	111.4	W74 I75 N81 N82	W74-F78 VanDerWaalsContact O-CB 3.29Å; W74-F78 WeakPolarHBondContact O-CB 3.33Å; W74-F78 PolarHBondContact O-N 2.92Å; I75-F78 PolarHBondContact O-N 3.3Å; F78-N81 PolarHBondContact O-N 3.02Å; F78-N82 WeakPolarHBondContact O-CB 3.36Å; F78-N82 PolarHBondContact O-N 3.21Å; F78-N82 VanDerWaalsContact O-N 3.14Å; F78-N82 PolarHBondContact O-ND2 2.93Å
79	A	96.1	Very high	96.2	Very high	8 Å²	8	78.2 Å²	78.2	7%	0.066	38%	0.38	C	S	.	.	H	α-helix	trans	-68.8	-36.3	177.9	0	0	0	0	0	112.2	I75 N76 E77 N81 N82 W83 F86 F92	I75-A79 WeakPolarHBondContact O-CB 3.29Å; I75-A79 PolarHBondContact O-N 3.32Å; N76-A79 PolarHBondContact O-N 3.42Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-A79 PolarHBondContact O-N 2.99Å; A79-N81 VanDerWaalsContact C-N 3.26Å; A79-N81 PolarHBondContact O-N 3.22Å; A79-N82 CarbonylContact O-C 3.5Å; A79-N82 PolarHBondContact O-N 3.19Å; A79-W83 VanDerWaalsContact O-CA 3.27Å; A79-W83 WeakPolarHBondContact O-CA 3.46Å; A79-W83 WeakPolarHBondContact O-CB 3.46Å; A79-W83 PolarHBondContact O-N 3.25Å; A79-F86 HydrophobicContact CB-CZ 4.15Å; A79-F92 HydrophobicContact CB-CD1 3.71Å; A79-F92 HydrophobicContact CB-CD2 3.71Å; A79-F92 HydrophobicContact CB-CE1 3.52Å; A79-F92 HydrophobicContact CB-CE2 3.55Å; A79-F92 HydrophobicContact CB-CG 3.81Å; A79-F92 HydrophobicContact CB-CZ 3.45Å; A79-F92 VanDerWaalsContact CB-CZ 3.45Å
80	A	97.3	Very high	96.1	Very high	25 Å²	25	80.9 Å²	80.9	21%	0.207	39%	0.39	C	S	.	.	H	α-helix	trans	-62.8	-31.3	174.2	0	0	0	0	0	112.8	N76 E77 W83 F92	N76-A80 VanDerWaalsContact O-CB 3.24Å; N76-A80 WeakPolarHBondContact O-CB 3.12Å; N76-A80 PolarHBondContact O-N 3.3Å; E77-A80 PolarHBondContact O-N 2.9Å; A80-W83 VanDerWaalsContact O-CD1 3.27Å; A80-F92 HydrophobicContact CB-CB 3.69Å
81	N	97.3	Very high	95.9	Very high	126 Å²	126	71.8 Å²	71.8	67%	0.674	36%	0.356	S	S	*	.	H	α-helix	trans	-83.5	-24.8	177.1	-69.9	-35.7	0	0	0	113.4	E77 F78 A79	E77-N81 PolarHBondContact O-N 3.49Å; E77-N81 PolarHBondContact O-ND2 3.04Å; E77-N81 VanDerWaalsContact O-ND2 3.11Å; F78-N81 PolarHBondContact O-N 3.02Å; A79-N81 VanDerWaalsContact C-N 3.26Å; A79-N81 PolarHBondContact O-N 3.22Å
82	N	96.8	Very high	95.8	Very high	50 Å²	50	70 Å²	70	27%	0.267	34%	0.343	S	S	.	.	S	Bend	trans	-123.6	22.3	-171.5	-61.8	-84.6	0	0	0	113.1	F78 A79 N84 L85 F86	F78-N82 WeakPolarHBondContact O-CB 3.36Å; F78-N82 PolarHBondContact O-N 3.21Å; F78-N82 VanDerWaalsContact O-N 3.14Å; F78-N82 PolarHBondContact O-ND2 2.93Å; A79-N82 CarbonylContact O-C 3.5Å; A79-N82 PolarHBondContact O-N 3.19Å; N82-N84 PolarHBondContact O-N 2.96Å; N82-L85 HydrophobicContact CB-CD1 3.91Å; N82-L85 HydrophobicContact CB-CG 4.35Å; N82-L85 WeakPolarHBondContact O-CB 3.39Å; N82-L85 PolarHBondContact O-N 2.97Å; N82-L85 VanDerWaalsContact O-N 3.15Å; N82-F86 WeakPolarHBondContact O-CE1 3.34Å
83	W	96.2	Very high	95.6	Very high	85 Å²	85	71.1 Å²	71.1	32%	0.322	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-58.1	-38.8	-173.2	62.4	-88.6	0	0	0	112.1	A79 A80 L85 F86 A87 Q90	A79-W83 VanDerWaalsContact O-CA 3.27Å; A79-W83 WeakPolarHBondContact O-CA 3.46Å; A79-W83 WeakPolarHBondContact O-CB 3.46Å; A79-W83 PolarHBondContact O-N 3.25Å; A80-W83 VanDerWaalsContact O-CD1 3.27Å; W83-L85 PolarHBondContact O-N 2.7Å; W83-F86 PolarHBondContact O-N 2.9Å; W83-F86 VanDerWaalsContact O-N 3.13Å; W83-A87 WeakPolarHBondContact O-CB 3.34Å; W83-A87 PolarHBondContact O-N 3.37Å; W83-Q90 HydrophobicContact CB-CG 4.27Å; W83-Q90 VanDerWaalsContact CD1-CG 3.42Å; W83-Q90 HydrophobicContact CD2-CB 3.84Å; W83-Q90 HydrophobicContact CD2-CG 4.1Å; W83-Q90 HydrophobicContact CE3-CB 4.42Å; W83-Q90 HydrophobicContact CG-CB 3.91Å; W83-Q90 HydrophobicContact CG-CG 3.66Å
84	N	96.3	Very high	95.5	Very high	107 Å²	107	71.6 Å²	71.6	57%	0.572	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-65.6	-11.1	-177.5	64.6	-16.3	0	0	0	114.2	N82 F86	N82-N84 PolarHBondContact O-N 2.96Å; N84-F86 VanDerWaalsContact C-N 3.33Å
85	L	95.8	Very high	95.2	Very high	134 Å²	134	73.3 Å²	73.3	70%	0.702	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-74.9	-23.8	175.1	-62.8	-177.6	0	0	0	112.8	N82 W83	N82-L85 HydrophobicContact CB-CD1 3.91Å; N82-L85 HydrophobicContact CB-CG 4.35Å; N82-L85 WeakPolarHBondContact O-CB 3.39Å; N82-L85 PolarHBondContact O-N 2.97Å; N82-L85 VanDerWaalsContact O-N 3.15Å; W83-L85 PolarHBondContact O-N 2.7Å
86	F	94.1	Very high	95.1	Very high	87 Å²	87	70.3 Å²	70.3	38%	0.382	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	-19.3	-171.8	65.3	-91.6	0	0	0	114.9	W33 A79 N82 W83 N84 F92	W33-F86 HydrophobicContact CB-CD2 4.28Å; W33-F86 AromaticContact CD1-CD2 3.76Å; W33-F86 VanDerWaalsContact CD1-O 3.22Å; W33-F86 AromaticContact CD2-CD2 3.72Å; W33-F86 HydrophobicContact CD2-CD2 3.72Å; W33-F86 AromaticContact CD2-CE2 3.77Å; W33-F86 HydrophobicContact CD2-CE2 3.77Å; W33-F86 AromaticContact CE2-CD2 3.86Å; W33-F86 AromaticContact CE2-CE2 3.72Å; W33-F86 HydrophobicContact CE3-CD2 4.35Å; W33-F86 HydrophobicContact CE3-CE2 4.09Å; W33-F86 AromaticContact CG-CD2 3.66Å; W33-F86 HydrophobicContact CG-CD2 3.66Å; W33-F86 HydrophobicContact CG-CE2 4.23Å; W33-F86 HydrophobicContact CH2-CE2 4.26Å; W33-F86 AromaticContact CZ2-CE2 3.99Å; W33-F86 HydrophobicContact CZ2-CE2 3.99Å; W33-F86 HydrophobicContact CZ3-CE2 4.32Å; W33-F86 AromaticContact NE1-CD2 3.89Å; A79-F86 HydrophobicContact CB-CZ 4.15Å; N82-F86 WeakPolarHBondContact O-CE1 3.34Å; W83-F86 PolarHBondContact O-N 2.9Å; W83-F86 VanDerWaalsContact O-N 3.13Å; N84-F86 VanDerWaalsContact C-N 3.33Å; F86-F92 HydrophobicContact CE2-CE2 4.05Å; F86-F92 HydrophobicContact CE2-CZ 4.13Å; F86-F92 AromaticContact CZ-CE2 3.65Å; F86-F92 HydrophobicContact CZ-CE2 3.65Å; F86-F92 AromaticContact CZ-CZ 3.88Å; F86-F92 HydrophobicContact CZ-CZ 3.88Å
87	A	94.5	Very high	94.9	Very high	9 Å²	9	74.9 Å²	74.9	7%	0.074	37%	0.373	C	S	.	.			trans	-114.6	152.4	-178.4	0	0	0	0	0	111	W33 W83 E89 Y91	W33-A87 HydrophobicContact CZ2-CB 4.35Å; W83-A87 WeakPolarHBondContact O-CB 3.34Å; W83-A87 PolarHBondContact O-N 3.37Å; A87-E89 WeakPolarHBondContact CB-O 3.45Å; A87-Y91 HydrophobicContact CB-CD2 4.35Å; A87-Y91 HydrophobicContact CB-CE2 4.18Å
88	T	93.4	Very high	94.7	Very high	81 Å²	81	71 Å²	71	50%	0.497	36%	0.355	S	S	.	.	S	Bend	trans	-83	-23.8	175.3	66.7	0	0	0	0	112.5	E31	E31-T88 WeakPolarHBondContact OE1-CB 3.38Å; E31-T88 PolarHBondContact OE1-N 3.49Å; E31-T88 VanDerWaalsContact OE1-N 3.1Å; E31-T88 PolarHBondContact OE1-OG1 3.39Å
89	E	92.7	Very high	94.7	Very high	91 Å²	91	64.9 Å²	64.9	43%	0.425	33%	0.328	S	S	.	.	S	Bend	trans	-130.9	160.5	178.6	-58.8	-171.1	164.4	0	0	111.6	A87 Y91	A87-E89 WeakPolarHBondContact CB-O 3.45Å; E89-Y91 HydrophobicContact CB-CE1 4.26Å; E89-Y91 HydrophobicContact CB-CE2 4.13Å; E89-Y91 WeakPolarHBondContact O-CD2 3.32Å; E89-Y91 WeakPolarHBondContact O-CE2 3.43Å
90	Q	94	Very high	94.6	Very high	87 Å²	87	66.5 Å²	66.5	41%	0.407	34%	0.339	S	S	.	.			trans	-86.6	112	174.3	-159.1	-73.6	-12.8	0	0	108.9	W83 F92	W83-Q90 HydrophobicContact CB-CG 4.27Å; W83-Q90 VanDerWaalsContact CD1-CG 3.42Å; W83-Q90 HydrophobicContact CD2-CB 3.84Å; W83-Q90 HydrophobicContact CD2-CG 4.1Å; W83-Q90 HydrophobicContact CE3-CB 4.42Å; W83-Q90 HydrophobicContact CG-CB 3.91Å; W83-Q90 HydrophobicContact CG-CG 3.66Å; Q90-F92 PolarHBondContact NE2-O 2.68Å
91	Y	93.8	Very high	94.5	Very high	10 Å²	10	67.6 Å²	67.6	4%	0.039	35%	0.345	C	S	.	.			trans	-103	-17.4	-179.4	-60.5	-75.6	0	0	0	114.5	T22 I26 P27 E31 W33 A87 E89 D93 F98	T22-Y91 HydrophobicContact CG2-CD1 4.37Å; I26-Y91 HydrophobicContact CD1-CE1 4.48Å; I26-Y91 HydrophobicContact CG1-CE1 3.96Å; P27-Y91 WeakPolarHBondContact CD-OH 3.36Å; E31-Y91 VanDerWaalsContact CD-OH 3.23Å; E31-Y91 HydrophobicContact CG-CE2 4.43Å; E31-Y91 WeakPolarHBondContact CG-OH 3.48Å; E31-Y91 WeakPolarHBondContact OE1-CE2 3.38Å; E31-Y91 PolarHBondContact OE1-OH 2.93Å; W33-Y91 AromaticContact CZ2-CD2 3.79Å; W33-Y91 HydrophobicContact CZ2-CD2 3.79Å; W33-Y91 HydrophobicContact CZ2-CE2 4.1Å; A87-Y91 HydrophobicContact CB-CD2 4.35Å; A87-Y91 HydrophobicContact CB-CE2 4.18Å; E89-Y91 HydrophobicContact CB-CE1 4.26Å; E89-Y91 HydrophobicContact CB-CE2 4.13Å; E89-Y91 WeakPolarHBondContact O-CD2 3.32Å; E89-Y91 WeakPolarHBondContact O-CE2 3.43Å; Y91-D93 PolarHBondContact O-N 2.91Å; Y91-F98 VanDerWaalsContact CB-CE1 3.4Å; Y91-F98 VanDerWaalsContact CB-CZ 3.47Å; Y91-F98 HydrophobicContact CD1-CE2 4.01Å; Y91-F98 HydrophobicContact CD1-CZ 4.14Å; Y91-F98 HydrophobicContact CD2-CZ 4.36Å; Y91-F98 HydrophobicContact CG-CE1 4.14Å; Y91-F98 HydrophobicContact CG-CE2 4.04Å; Y91-F98 AromaticContact CG-CZ 3.75Å; Y91-F98 HydrophobicContact CG-CZ 3.75Å; Y91-F98 WeakPolarHBondContact O-CB 3.48Å; Y91-F98 VanDerWaalsContact O-CG 3.28Å; Y91-F98 WeakPolarHBondContact O-CG 3.46Å
92	F	94.8	Very high	94.3	Very high	10 Å²	10	63 Å²	63	4%	0.044	32%	0.32	C	S	.	.			trans	-86.9	99.9	-166	-59.5	-84.3	0	0	0	111.1	W33 A79 A80 F86 Q90 F98 I99	W33-F92 HydrophobicContact CH2-CE2 4.43Å; W33-F92 AromaticContact CH2-CZ 3.79Å; W33-F92 HydrophobicContact CH2-CZ 3.79Å; W33-F92 HydrophobicContact CZ2-CZ 4.44Å; W33-F92 HydrophobicContact CZ3-CZ 4.3Å; A79-F92 HydrophobicContact CB-CD1 3.71Å; A79-F92 HydrophobicContact CB-CD2 3.71Å; A79-F92 HydrophobicContact CB-CE1 3.52Å; A79-F92 HydrophobicContact CB-CE2 3.55Å; A79-F92 HydrophobicContact CB-CG 3.81Å; A79-F92 HydrophobicContact CB-CZ 3.45Å; A79-F92 VanDerWaalsContact CB-CZ 3.45Å; A80-F92 HydrophobicContact CB-CB 3.69Å; F86-F92 HydrophobicContact CE2-CE2 4.05Å; F86-F92 HydrophobicContact CE2-CZ 4.13Å; F86-F92 AromaticContact CZ-CE2 3.65Å; F86-F92 HydrophobicContact CZ-CE2 3.65Å; F86-F92 AromaticContact CZ-CZ 3.88Å; F86-F92 HydrophobicContact CZ-CZ 3.88Å; Q90-F92 PolarHBondContact NE2-O 2.68Å; F92-F98 HydrophobicContact CD1-CD1 4.23Å; F92-F98 HydrophobicContact CE1-CD1 4.26Å; F92-F98 HydrophobicContact CE1-CE1 4.25Å; F92-F98 HydrophobicContact CZ-CE1 4.41Å; F92-I99 HydrophobicContact CD1-CD1 4.48Å; F92-I99 HydrophobicContact CE1-CD1 4.04Å
93	D	92.1	Very high	94.3	Very high	40 Å²	40	62.4 Å²	62.4	21%	0.214	31%	0.314	C	S	.	.			trans	-78.8	159.1	-179.8	68	-73.1	0	0	0	112.7	N76 Y91 Y95 G96 Y97 F98	N76-D93 PolarHBondContact ND2-O 3.02Å; Y91-D93 PolarHBondContact O-N 2.91Å; D93-Y95 VanDerWaalsContact C-N 3.27Å; D93-Y95 PolarHBondContact O-N 3.47Å; D93-Y95 WeakPolarHBondContact OD2-CA 3.42Å; D93-Y95 WeakPolarHBondContact OD2-CB 3.18Å; D93-Y95 PolarHBondContact OD2-N 3Å; D93-Y95 VanDerWaalsContact OD2-N 3.17Å; D93-G96 PolarHBondContact O-N 3.11Å; D93-G96 VanDerWaalsContact O-N 3.1Å; D93-G96 PolarHBondContact OD2-N 2.89Å; D93-Y97 VanDerWaalsContact CG-N 3.3Å; D93-Y97 PolarHBondContact OD1-N 3.13Å; D93-Y97 PolarHBondContact OD2-N 3.36Å; D93-F98 WeakPolarHBondContact OD1-CB 3.23Å; D93-F98 PolarHBondContact OD1-N 3.2Å
94	S	93.8	Very high	94.4	Very high	105 Å²	105	59 Å²	59	73%	0.734	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-26	-179.5	55.4	0	0	0	0	113.8	G96	S94-G96 VanDerWaalsContact C-N 3.33Å
95	Y	92	Very high	94.4	Very high	175 Å²	175	57.6 Å²	57.6	69%	0.686	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.2	175.4	-64.5	-76.2	0	0	0	112.6	D93 Y97	D93-Y95 VanDerWaalsContact C-N 3.27Å; D93-Y95 PolarHBondContact O-N 3.47Å; D93-Y95 WeakPolarHBondContact OD2-CA 3.42Å; D93-Y95 WeakPolarHBondContact OD2-CB 3.18Å; D93-Y95 PolarHBondContact OD2-N 3Å; D93-Y95 VanDerWaalsContact OD2-N 3.17Å; Y95-Y97 VanDerWaalsContact C-N 3.33Å; Y95-Y97 HydrophobicContact CD2-CE2 4.06Å; Y95-Y97 AromaticContact CG-CE2 3.97Å; Y95-Y97 HydrophobicContact CG-CE2 3.97Å
96	G	93.7	Very high	94.5	Very high	7 Å²	7	52.7 Å²	52.7	7%	0.072	27%	0.274	C	S	.	.			trans	67.7	28.4	-178.4	0	0	0	0	0	113.7	D93 S94 I99 S100	D93-G96 PolarHBondContact O-N 3.11Å; D93-G96 VanDerWaalsContact O-N 3.1Å; D93-G96 PolarHBondContact OD2-N 2.89Å; S94-G96 VanDerWaalsContact C-N 3.33Å; G96-I99 VanDerWaalsContact O-CG2 3.23Å; G96-I99 WeakPolarHBondContact O-CG2 3.46Å; G96-S100 WeakPolarHBondContact O-CB 3.41Å; G96-S100 PolarHBondContact O-N 3.47Å; G96-S100 PolarHBondContact O-OG 3.5Å
97	Y	93.3	Very high	94.6	Very high	100 Å²	100	48.9 Å²	48.9	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-40.6	176.1	-65	-36.3	0	0	0	112.4	I19 D93 Y95 S100 C101	I19-Y97 HydrophobicContact CD1-CD2 4.26Å; I19-Y97 HydrophobicContact CD1-CG 3.96Å; I19-Y97 HydrophobicContact CG1-CG 4.46Å; D93-Y97 VanDerWaalsContact CG-N 3.3Å; D93-Y97 PolarHBondContact OD1-N 3.13Å; D93-Y97 PolarHBondContact OD2-N 3.36Å; Y95-Y97 VanDerWaalsContact C-N 3.33Å; Y95-Y97 HydrophobicContact CD2-CE2 4.06Å; Y95-Y97 AromaticContact CG-CE2 3.97Å; Y95-Y97 HydrophobicContact CG-CE2 3.97Å; Y97-S100 PolarHBondContact O-N 2.95Å; Y97-C101 PolarHBondContact O-N 3.1Å; Y97-C101 PolarHBondContact O-SG 3.34Å
98	F	94.3	Very high	94.8	Very high	11 Å²	11	52.6 Å²	52.6	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-53.9	-179.8	178.6	-96.6	0	0	0	111.8	T22 I26 W33 L34 Y91 F92 D93 S100 C101 I102	T22-F98 HydrophobicContact CG2-CD2 4.37Å; I26-F98 HydrophobicContact CD1-CE2 4.09Å; W33-F98 AromaticContact CH2-CE1 3.9Å; W33-F98 HydrophobicContact CH2-CE1 3.9Å; W33-F98 HydrophobicContact CH2-CZ 4.13Å; L34-F98 HydrophobicContact CD2-CZ 4.09Å; Y91-F98 VanDerWaalsContact CB-CE1 3.4Å; Y91-F98 VanDerWaalsContact CB-CZ 3.47Å; Y91-F98 HydrophobicContact CD1-CE2 4.01Å; Y91-F98 HydrophobicContact CD1-CZ 4.14Å; Y91-F98 HydrophobicContact CD2-CZ 4.36Å; Y91-F98 HydrophobicContact CG-CE1 4.14Å; Y91-F98 HydrophobicContact CG-CE2 4.04Å; Y91-F98 AromaticContact CG-CZ 3.75Å; Y91-F98 HydrophobicContact CG-CZ 3.75Å; Y91-F98 WeakPolarHBondContact O-CB 3.48Å; Y91-F98 VanDerWaalsContact O-CG 3.28Å; Y91-F98 WeakPolarHBondContact O-CG 3.46Å; F92-F98 HydrophobicContact CD1-CD1 4.23Å; F92-F98 HydrophobicContact CE1-CD1 4.26Å; F92-F98 HydrophobicContact CE1-CE1 4.25Å; F92-F98 HydrophobicContact CZ-CE1 4.41Å; D93-F98 WeakPolarHBondContact OD1-CB 3.23Å; D93-F98 PolarHBondContact OD1-N 3.2Å; F98-S100 PolarHBondContact O-N 2.93Å; F98-C101 PolarHBondContact O-N 3.17Å; F98-I102 HydrophobicContact CD2-CG1 4.3Å; F98-I102 HydrophobicContact CE1-CG1 4.41Å; F98-I102 HydrophobicContact CE2-CG1 3.92Å; F98-I102 HydrophobicContact CZ-CG1 3.99Å; F98-I102 PolarHBondContact O-N 3.19Å
99	I	95.5	Very high	95	Very high	14 Å²	14	54 Å²	54	7%	0.072	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-35.4	175.8	-166.3	78	0	0	0	110.8	I75 N76 F92 G96 W103 N104	I75-I99 HydrophobicContact CG2-CD1 4.19Å; N76-I99 HydrophobicContact CB-CB 4.21Å; N76-I99 HydrophobicContact CB-CG1 4.43Å; N76-I99 HydrophobicContact CB-CG2 3.84Å; N76-I99 WeakPolarHBondContact OD1-CG2 3.26Å; F92-I99 HydrophobicContact CD1-CD1 4.48Å; F92-I99 HydrophobicContact CE1-CD1 4.04Å; G96-I99 VanDerWaalsContact O-CG2 3.23Å; G96-I99 WeakPolarHBondContact O-CG2 3.46Å; I99-W103 HydrophobicContact CD1-CB 4.1Å; I99-W103 HydrophobicContact CG1-CB 4.17Å; I99-W103 WeakPolarHBondContact O-CA 3.23Å; I99-W103 VanDerWaalsContact O-CB 3.22Å; I99-W103 WeakPolarHBondContact O-CB 3.16Å; I99-W103 PolarHBondContact O-N 3.05Å; I99-N104 PolarHBondContact O-N 3.34Å
100	S	95.3	Very high	95.2	Very high	42 Å²	42	50.3 Å²	50.3	29%	0.294	26%	0.262	S	S	.	.	I	π-helix	trans	-66.9	-43.4	-179.2	-67.1	0	0	0	0	111.9	G96 Y97 F98 N104 V105	G96-S100 WeakPolarHBondContact O-CB 3.41Å; G96-S100 PolarHBondContact O-N 3.47Å; G96-S100 PolarHBondContact O-OG 3.5Å; Y97-S100 PolarHBondContact O-N 2.95Å; F98-S100 PolarHBondContact O-N 2.93Å; S100-N104 WeakPolarHBondContact O-CB 3.32Å; S100-N104 PolarHBondContact O-N 2.88Å; S100-N104 PolarHBondContact OG-ND2 3.28Å; S100-V105 WeakPolarHBondContact O-CG2 3.41Å; S100-V105 PolarHBondContact O-N 2.94Å
101	C	93.8	Very high	95.4	Very high	49 Å²	49	46.5 Å²	46.5	33%	0.331	25%	0.245	S	C	.	.	I	π-helix	trans	-69	-46.1	178.9	-68	0	0	0	0	112.1	Y97 F98 P106	Y97-C101 PolarHBondContact O-N 3.1Å; Y97-C101 PolarHBondContact O-SG 3.34Å; F98-C101 PolarHBondContact O-N 3.17Å; C101-P106 WeakPolarHBondContact O-CD 3.46Å
102	I	94.7	Very high	95.6	Very high	30 Å²	30	50.7 Å²	50.7	15%	0.154	27%	0.268	C	S	.	.	I	π-helix	trans	-82.2	-35.4	-171.6	-62.4	-65	0	0	0	112.1	L34 L37 H41 F98	L34-I102 HydrophobicContact CD2-CG2 4.01Å; L37-I102 HydrophobicContact CD2-CG2 3.43Å; L37-I102 VanDerWaalsContact CD2-CG2 3.43Å; L37-I102 HydrophobicContact CG-CG2 4.35Å; H41-I102 PolarHBondContact NE2-O 2.82Å; F98-I102 HydrophobicContact CD2-CG1 4.3Å; F98-I102 HydrophobicContact CE1-CG1 4.41Å; F98-I102 HydrophobicContact CE2-CG1 3.92Å; F98-I102 HydrophobicContact CZ-CG1 3.99Å; F98-I102 PolarHBondContact O-N 3.19Å
103	W	96.5	Very high	95.7	Very high	37 Å²	37	53 Å²	53	14%	0.14	28%	0.28	C	S	.	.	I	π-helix	trans	-106.2	-59.2	-177.5	177.6	-108.9	0	0	0	112.8	L37 F40 H41 T68 I99 V105 P106 V107	L37-W103 HydrophobicContact CD1-CE3 3.47Å; L37-W103 VanDerWaalsContact CD1-CE3 3.47Å; L37-W103 HydrophobicContact CD1-CZ3 3.5Å; F40-W103 HydrophobicContact CD1-CH2 4.34Å; F40-W103 AromaticContact CD1-CZ3 3.81Å; F40-W103 HydrophobicContact CD1-CZ3 3.81Å; F40-W103 AromaticContact CE1-CH2 3.56Å; F40-W103 HydrophobicContact CE1-CH2 3.56Å; F40-W103 AromaticContact CE1-CZ3 3.46Å; F40-W103 HydrophobicContact CE1-CZ3 3.46Å; F40-W103 VanDerWaalsContact CE1-CZ3 3.46Å; F40-W103 HydrophobicContact CZ-CH2 4.07Å; F40-W103 HydrophobicContact CZ-CZ3 4.35Å; H41-W103 AromaticContact CE1-CE3 3.64Å; H41-W103 AromaticContact CE1-CZ3 3.93Å; H41-W103 AromaticContact NE2-CE3 3.83Å; T68-W103 HydrophobicContact CG2-CZ2 3.95Å; T68-W103 PolarHBondContact O-NE1 2.64Å; T68-W103 WeakPolarHBondContact OG1-CZ2 3.47Å; I99-W103 HydrophobicContact CD1-CB 4.1Å; I99-W103 HydrophobicContact CG1-CB 4.17Å; I99-W103 WeakPolarHBondContact O-CA 3.23Å; I99-W103 VanDerWaalsContact O-CB 3.22Å; I99-W103 WeakPolarHBondContact O-CB 3.16Å; I99-W103 PolarHBondContact O-N 3.05Å; W103-V105 PolarHBondContact O-N 3.42Å; W103-P106 WeakPolarHBondContact O-CD 3.38Å; W103-V107 HydrophobicContact CD2-CG2 4.09Å; W103-V107 HydrophobicContact CE3-CG2 4.32Å; W103-V107 HydrophobicContact CZ2-CG2 4.31Å; W103-V107 WeakPolarHBondContact O-CB 3.42Å; W103-V107 WeakPolarHBondContact O-CG2 3.31Å; W103-V107 PolarHBondContact O-N 3.01Å
104	N	97.4	Very high	96	Very high	13 Å²	13	51 Å²	51	7%	0.07	27%	0.27	C	S	.	.	I	π-helix	trans	-65.5	-47.2	-169.1	-68.2	-26	0	0	0	112.6	S72 I99 S100 V107 I108	S72-N104 WeakPolarHBondContact CB-ND2 3.23Å; S72-N104 VanDerWaalsContact CB-OD1 3.23Å; S72-N104 WeakPolarHBondContact CB-OD1 3.24Å; S72-N104 PolarHBondContact OG-ND2 3.37Å; I99-N104 PolarHBondContact O-N 3.34Å; S100-N104 WeakPolarHBondContact O-CB 3.32Å; S100-N104 PolarHBondContact O-N 2.88Å; S100-N104 PolarHBondContact OG-ND2 3.28Å; N104-V107 PolarHBondContact O-N 3.1Å; N104-I108 HydrophobicContact CB-CD1 4.32Å; N104-I108 WeakPolarHBondContact O-CB 3.32Å; N104-I108 WeakPolarHBondContact O-CD1 3.44Å; N104-I108 WeakPolarHBondContact O-CG1 3.41Å; N104-I108 PolarHBondContact O-N 3.32Å
105	V	96.3	Very high	96.3	Very high	78 Å²	78	49.1 Å²	49.1	47%	0.473	25%	0.253	S	S	.	.	H	α-helix	trans	-58.8	-51.7	-176.9	167.8	0	0	0	0	111.8	S100 W103 V107 I108 L109	S100-V105 WeakPolarHBondContact O-CG2 3.41Å; S100-V105 PolarHBondContact O-N 2.94Å; W103-V105 PolarHBondContact O-N 3.42Å; V105-V107 VanDerWaalsContact C-N 3.35Å; V105-V107 PolarHBondContact O-N 3.4Å; V105-I108 PolarHBondContact O-N 3.35Å; V105-L109 HydrophobicContact CG1-CD1 4.31Å; V105-L109 WeakPolarHBondContact O-CG 3.5Å; V105-L109 PolarHBondContact O-N 3.08Å
106	P	97.6	Very high	96.5	Very high	31 Å²	31	45.4 Å²	45.4	20%	0.201	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-39.1	174.5	-27.6	36.2	0	0	0	114.3	H41 C101 W103 L109 N110	H41-P106 HydrophobicContact CB-CB 4.34Å; C101-P106 WeakPolarHBondContact O-CD 3.46Å; W103-P106 WeakPolarHBondContact O-CD 3.38Å; P106-L109 PolarHBondContact O-N 3.5Å; P106-N110 PolarHBondContact O-N 2.84Å; P106-N110 PolarHBondContact O-ND2 3.36Å; P106-N110 VanDerWaalsContact O-ND2 3.11Å
107	V	97.8	Very high	96.7	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.036	25%	0.25	C	S	.	.	H	α-helix	trans	-67.1	-39.6	178.4	175	0	0	0	0	111.4	S65 V69 W103 N104 V105 N110 S111	S65-V107 WeakPolarHBondContact O-CG1 3.4Å; V69-V107 HydrophobicContact CG2-CB 4.04Å; V69-V107 HydrophobicContact CG2-CG1 3.6Å; W103-V107 HydrophobicContact CD2-CG2 4.09Å; W103-V107 HydrophobicContact CE3-CG2 4.32Å; W103-V107 HydrophobicContact CZ2-CG2 4.31Å; W103-V107 WeakPolarHBondContact O-CB 3.42Å; W103-V107 WeakPolarHBondContact O-CG2 3.31Å; W103-V107 PolarHBondContact O-N 3.01Å; N104-V107 PolarHBondContact O-N 3.1Å; V105-V107 VanDerWaalsContact C-N 3.35Å; V105-V107 PolarHBondContact O-N 3.4Å; V107-N110 PolarHBondContact O-N 2.87Å; V107-S111 WeakPolarHBondContact O-CB 3.32Å; V107-S111 PolarHBondContact O-N 3.5Å; V107-S111 PolarHBondContact O-OG 3.28Å
108	I	97.2	Very high	96.9	Very high	88 Å²	88	43 Å²	43	45%	0.451	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-42.2	175.7	-70.8	165.5	0	0	0	110.7	V69 N104 V105 N110 S111 L112	V69-I108 HydrophobicContact CG2-CG1 4.29Å; N104-I108 HydrophobicContact CB-CD1 4.32Å; N104-I108 WeakPolarHBondContact O-CB 3.32Å; N104-I108 WeakPolarHBondContact O-CD1 3.44Å; N104-I108 WeakPolarHBondContact O-CG1 3.41Å; N104-I108 PolarHBondContact O-N 3.32Å; V105-I108 PolarHBondContact O-N 3.35Å; I108-N110 VanDerWaalsContact C-N 3.35Å; I108-N110 PolarHBondContact O-N 3.35Å; I108-S111 WeakPolarHBondContact O-CB 3.36Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 VanDerWaalsContact O-N 3.16Å; I108-L112 WeakPolarHBondContact O-CB 3.22Å; I108-L112 PolarHBondContact O-N 3.19Å
109	L	97.9	Very high	97	Very high	109 Å²	109	45.9 Å²	45.9	57%	0.571	26%	0.255	S	S	*	.	H	α-helix	trans	-60.4	-44.2	175.6	-71.5	173.2	0	0	0	111.9	V105 P106 S111 L112 L113	V105-L109 HydrophobicContact CG1-CD1 4.31Å; V105-L109 WeakPolarHBondContact O-CG 3.5Å; V105-L109 PolarHBondContact O-N 3.08Å; P106-L109 PolarHBondContact O-N 3.5Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-L112 PolarHBondContact O-N 3.11Å; L109-L113 PolarHBondContact O-N 3.3Å; L109-L113 VanDerWaalsContact O-N 3.08Å
110	N	97.4	Very high	97.1	Very high	14 Å²	14	50.9 Å²	50.9	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-41.1	173.5	-83.6	-57.8	0	0	0	112	T45 P106 V107 I108 L112 L113 I114	T45-N110 VanDerWaalsContact CA-OD1 3.29Å; T45-N110 WeakPolarHBondContact CA-OD1 3.48Å; T45-N110 WeakPolarHBondContact CB-OD1 3.33Å; T45-N110 VanDerWaalsContact OG1-CG 3.3Å; T45-N110 PolarHBondContact OG1-ND2 2.96Å; T45-N110 VanDerWaalsContact OG1-ND2 3.16Å; T45-N110 PolarHBondContact OG1-OD1 3.37Å; P106-N110 PolarHBondContact O-N 2.84Å; P106-N110 PolarHBondContact O-ND2 3.36Å; P106-N110 VanDerWaalsContact O-ND2 3.11Å; V107-N110 PolarHBondContact O-N 2.87Å; I108-N110 VanDerWaalsContact C-N 3.35Å; I108-N110 PolarHBondContact O-N 3.35Å; N110-L112 VanDerWaalsContact C-N 3.35Å; N110-L112 PolarHBondContact O-N 3Å; N110-L113 WeakPolarHBondContact O-CB 3.47Å; N110-L113 PolarHBondContact O-N 3.45Å; N110-I114 WeakPolarHBondContact O-CG1 3.4Å; N110-I114 PolarHBondContact O-N 3.21Å
111	S	98.1	Very high	97	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-40.6	177.5	-60.6	0	0	0	0	111.8	V107 I108 L109 I114 V115	V107-S111 WeakPolarHBondContact O-CB 3.32Å; V107-S111 PolarHBondContact O-N 3.5Å; V107-S111 PolarHBondContact O-OG 3.28Å; I108-S111 WeakPolarHBondContact O-CB 3.36Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 VanDerWaalsContact O-N 3.16Å; L109-S111 VanDerWaalsContact C-N 3.33Å; S111-I114 PolarHBondContact O-N 3.35Å; S111-V115 WeakPolarHBondContact O-CG2 3.38Å; S111-V115 PolarHBondContact O-N 3.04Å
112	L	98.1	Very high	97.1	Very high	98 Å²	98	52.4 Å²	52.4	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-44.3	174.8	180	62	0	0	0	111.3	I108 L109 N110 I114 V115 L116	I108-L112 WeakPolarHBondContact O-CB 3.22Å; I108-L112 PolarHBondContact O-N 3.19Å; L109-L112 PolarHBondContact O-N 3.11Å; N110-L112 VanDerWaalsContact C-N 3.35Å; N110-L112 PolarHBondContact O-N 3Å; L112-I114 VanDerWaalsContact C-N 3.31Å; L112-I114 PolarHBondContact O-N 3.25Å; L112-V115 PolarHBondContact O-N 2.85Å; L112-L116 HydrophobicContact CG-CD1 4.46Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.28Å
113	L	97.9	Very high	97.2	Very high	58 Å²	58	54.9 Å²	54.9	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-44.4	174.4	175.8	61.3	0	0	0	111.5	V48 I49 L109 N110 L116 L117	V48-L113 HydrophobicContact CG1-CD2 3.88Å; V48-L113 HydrophobicContact CG1-CG 4.09Å; I49-L113 HydrophobicContact CG1-CD2 4.34Å; L109-L113 PolarHBondContact O-N 3.3Å; L109-L113 VanDerWaalsContact O-N 3.08Å; N110-L113 WeakPolarHBondContact O-CB 3.47Å; N110-L113 PolarHBondContact O-N 3.45Å; L113-L116 PolarHBondContact O-N 3.04Å; L113-L117 HydrophobicContact CD1-CD1 4.41Å; L113-L117 HydrophobicContact CD1-CG 4.44Å; L113-L117 HydrophobicContact CG-CD1 4.3Å; L113-L117 WeakPolarHBondContact O-CG 3.36Å; L113-L117 PolarHBondContact O-N 2.84Å
114	I	98.2	Very high	97.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-47.2	176.8	-65.1	164.7	0	0	0	110.7	V48 L58 I61 L62 N110 S111 L112 L116 L117 L118	V48-I114 HydrophobicContact CB-CG1 4.42Å; V48-I114 HydrophobicContact CG1-CG1 3.66Å; V48-I114 HydrophobicContact CG2-CD1 3.77Å; V48-I114 HydrophobicContact CG2-CG1 3.79Å; L58-I114 HydrophobicContact CB-CG2 4.03Å; L58-I114 HydrophobicContact CD2-CG2 4.32Å; L58-I114 HydrophobicContact CG-CG2 4.32Å; I61-I114 HydrophobicContact CB-CD1 4.28Å; I61-I114 HydrophobicContact CG2-CD1 3.72Å; L62-I114 HydrophobicContact CB-CD1 4.3Å; L62-I114 HydrophobicContact CB-CG2 3.94Å; L62-I114 HydrophobicContact CD1-CB 4.46Å; L62-I114 HydrophobicContact CD1-CG2 4.47Å; L62-I114 HydrophobicContact CD2-CG2 4.32Å; L62-I114 HydrophobicContact CG-CG2 4.48Å; N110-I114 WeakPolarHBondContact O-CG1 3.4Å; N110-I114 PolarHBondContact O-N 3.21Å; S111-I114 PolarHBondContact O-N 3.35Å; L112-I114 VanDerWaalsContact C-N 3.31Å; L112-I114 PolarHBondContact O-N 3.25Å; I114-L116 VanDerWaalsContact C-N 3.31Å; I114-L116 PolarHBondContact O-N 2.98Å; I114-L117 WeakPolarHBondContact O-CB 3.17Å; I114-L117 PolarHBondContact O-N 3.01Å; I114-L117 VanDerWaalsContact O-N 3.14Å; I114-L118 HydrophobicContact CG2-CD1 3.84Å; I114-L118 HydrophobicContact CG2-CG 4.09Å; I114-L118 WeakPolarHBondContact O-CG 3.28Å; I114-L118 PolarHBondContact O-N 3.2Å
115	V	98.3	Very high	97.1	Very high	64 Å²	64	59.8 Å²	59.8	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-57.9	-44	178.3	170	0	0	0	0	111.1	L62 S111 L112 L117 L118 V119	L62-V115 HydrophobicContact CD1-CG2 4.26Å; L62-V115 HydrophobicContact CD2-CG2 4.17Å; S111-V115 WeakPolarHBondContact O-CG2 3.38Å; S111-V115 PolarHBondContact O-N 3.04Å; L112-V115 PolarHBondContact O-N 2.85Å; V115-L117 PolarHBondContact O-N 3.47Å; V115-L118 PolarHBondContact O-N 3.48Å; V115-V119 HydrophobicContact CG1-CG2 4.44Å; V115-V119 WeakPolarHBondContact O-CG2 3.28Å; V115-V119 PolarHBondContact O-N 3.49Å
116	L	97.9	Very high	97.1	Very high	98 Å²	98	59.9 Å²	59.9	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-59.2	-45.9	175.9	-70.1	171.3	0	0	0	111.8	L112 L113 I114 L118 V119 L120	L112-L116 HydrophobicContact CG-CD1 4.46Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.28Å; L113-L116 PolarHBondContact O-N 3.04Å; I114-L116 VanDerWaalsContact C-N 3.31Å; I114-L116 PolarHBondContact O-N 2.98Å; L116-L118 PolarHBondContact O-N 3.24Å; L116-V119 PolarHBondContact O-N 2.86Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.84Å; L116-L120 VanDerWaalsContact O-N 3.11Å
117	L	97.2	Very high	97.1	Very high	34 Å²	34	62.8 Å²	62.8	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-42.5	176.9	-68.7	171.1	0	0	0	112	V48 R52 L58 L113 I114 V115 L120 Q121	V48-L117 HydrophobicContact CG1-CD1 4.03Å; R52-L117 HydrophobicContact CB-CD1 3.97Å; R52-L117 HydrophobicContact CB-CD2 4.43Å; L58-L117 HydrophobicContact CD2-CB 3.97Å; L58-L117 HydrophobicContact CD2-CD1 4.02Å; L113-L117 HydrophobicContact CD1-CD1 4.41Å; L113-L117 HydrophobicContact CD1-CG 4.44Å; L113-L117 HydrophobicContact CG-CD1 4.3Å; L113-L117 WeakPolarHBondContact O-CG 3.36Å; L113-L117 PolarHBondContact O-N 2.84Å; I114-L117 WeakPolarHBondContact O-CB 3.17Å; I114-L117 PolarHBondContact O-N 3.01Å; I114-L117 VanDerWaalsContact O-N 3.14Å; V115-L117 PolarHBondContact O-N 3.47Å; L117-L120 PolarHBondContact O-N 2.88Å; L117-Q121 VanDerWaalsContact O-CG 3.31Å; L117-Q121 WeakPolarHBondContact O-CG 3.41Å; L117-Q121 PolarHBondContact O-N 3.46Å
118	L	96.9	Very high	97	Very high	22 Å²	22	66.9 Å²	66.9	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-44.4	177.6	-69.9	175.4	0	0	0	111.6	T55 L58 L62 I114 V115 L116 L120 Q121 I122	T55-L118 HydrophobicContact CG2-CD2 3.72Å; L58-L118 HydrophobicContact CB-CD2 4.25Å; L62-L118 HydrophobicContact CD2-CD1 3.94Å; I114-L118 HydrophobicContact CG2-CD1 3.84Å; I114-L118 HydrophobicContact CG2-CG 4.09Å; I114-L118 WeakPolarHBondContact O-CG 3.28Å; I114-L118 PolarHBondContact O-N 3.2Å; V115-L118 PolarHBondContact O-N 3.48Å; L116-L118 PolarHBondContact O-N 3.24Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.47Å; L118-Q121 PolarHBondContact O-N 3.05Å; L118-I122 WeakPolarHBondContact O-CB 3.33Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.46Å; L118-I122 PolarHBondContact O-N 3.49Å
119	V	97.6	Very high	97	Very high	72 Å²	72	65.5 Å²	65.5	44%	0.436	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-44.7	176.8	169	0	0	0	0	111.1	V115 L116 Q121 I122 N123	V115-V119 HydrophobicContact CG1-CG2 4.44Å; V115-V119 WeakPolarHBondContact O-CG2 3.28Å; V115-V119 PolarHBondContact O-N 3.49Å; L116-V119 PolarHBondContact O-N 2.86Å; V119-Q121 VanDerWaalsContact C-N 3.34Å; V119-Q121 PolarHBondContact O-N 2.95Å; V119-I122 PolarHBondContact O-N 3.3Å; V119-N123 WeakPolarHBondContact O-CB 3.38Å; V119-N123 VanDerWaalsContact O-CG 3.24Å; V119-N123 PolarHBondContact O-N 3.39Å; V119-N123 PolarHBondContact O-ND2 3.41Å
120	L	96.2	Very high	97	Very high	118 Å²	118	66.2 Å²	66.2	62%	0.618	35%	0.353	S	S	*	.	H	α-helix	trans	-61.8	-41.1	177	-67.9	175.4	0	0	0	112.2	L116 L117 L118 S124	L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.84Å; L116-L120 VanDerWaalsContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 2.88Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.47Å; L120-S124 PolarHBondContact O-N 3.47Å
121	Q	94.9	Very high	97	Very high	31 Å²	31	74 Å²	74	15%	0.145	38%	0.381	C	S	.	.	H	α-helix	trans	-64.8	-48.4	176.3	-70.7	170.1	24.8	0	0	111.6	R52 T55 L117 L118 V119 N123 S124 L125	R52-Q121 PolarHBondContact O-NE2 2.92Å; T55-Q121 PolarHBondContact OG1-OE1 3.35Å; L117-Q121 VanDerWaalsContact O-CG 3.31Å; L117-Q121 WeakPolarHBondContact O-CG 3.41Å; L117-Q121 PolarHBondContact O-N 3.46Å; L118-Q121 PolarHBondContact O-N 3.05Å; V119-Q121 VanDerWaalsContact C-N 3.34Å; V119-Q121 PolarHBondContact O-N 2.95Å; Q121-N123 VanDerWaalsContact C-N 3.3Å; Q121-N123 PolarHBondContact O-N 3.17Å; Q121-S124 WeakPolarHBondContact O-CB 3.43Å; Q121-S124 PolarHBondContact O-N 2.88Å; Q121-S124 VanDerWaalsContact O-N 3.08Å; Q121-S124 PolarHBondContact O-OG 3.16Å; Q121-L125 WeakPolarHBondContact O-CG 3.29Å; Q121-L125 PolarHBondContact O-N 3.42Å
122	I	95.8	Very high	96.9	Very high	92 Å²	92	80.9 Å²	80.9	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-57	-45.3	178.4	-69.7	164.1	0	0	0	110.4	L118 V119 S124 L125 I126	L118-I122 WeakPolarHBondContact O-CB 3.33Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.46Å; L118-I122 PolarHBondContact O-N 3.49Å; V119-I122 PolarHBondContact O-N 3.3Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 3.42Å; I122-L125 PolarHBondContact O-N 3.1Å; I122-L125 VanDerWaalsContact O-N 3.14Å; I122-I126 HydrophobicContact CG2-CD1 3.66Å; I122-I126 HydrophobicContact CG2-CG1 4.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.2Å; I122-I126 PolarHBondContact O-N 2.91Å
123	N	96.9	Very high	96.8	Very high	82 Å²	82	81.3 Å²	81.3	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-57.7	-44	176.6	-73.8	-22.4	0	0	0	112	V119 Q121 L125 I126 I127	V119-N123 WeakPolarHBondContact O-CB 3.38Å; V119-N123 VanDerWaalsContact O-CG 3.24Å; V119-N123 PolarHBondContact O-N 3.39Å; V119-N123 PolarHBondContact O-ND2 3.41Å; Q121-N123 VanDerWaalsContact C-N 3.3Å; Q121-N123 PolarHBondContact O-N 3.17Å; N123-L125 VanDerWaalsContact C-N 3.34Å; N123-L125 PolarHBondContact O-N 2.82Å; N123-I126 PolarHBondContact O-N 2.99Å; N123-I127 VanDerWaalsContact O-CG1 3.29Å; N123-I127 WeakPolarHBondContact O-CG1 3.24Å; N123-I127 PolarHBondContact O-N 2.92Å
124	S	94.8	Very high	96.8	Very high	52 Å²	52	82.8 Å²	82.8	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-36.9	177.5	79.8	0	0	0	0	112.8	L120 Q121 I122 Q128	L120-S124 PolarHBondContact O-N 3.47Å; Q121-S124 WeakPolarHBondContact O-CB 3.43Å; Q121-S124 PolarHBondContact O-N 2.88Å; Q121-S124 VanDerWaalsContact O-N 3.08Å; Q121-S124 PolarHBondContact O-OG 3.16Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 3.42Å; S124-Q128 WeakPolarHBondContact O-CB 3.47Å; S124-Q128 VanDerWaalsContact O-CG 3.28Å; S124-Q128 WeakPolarHBondContact O-CG 3.18Å; S124-Q128 PolarHBondContact O-N 3.31Å; S124-Q128 PolarHBondContact O-NE2 2.95Å
125	L	95.4	Very high	96.7	Very high	102 Å²	102	85 Å²	85	53%	0.534	44%	0.435	S	S	.	.	H	α-helix	trans	-69.5	-42.3	177.9	-68.7	173.4	0	0	0	111.3	Q121 I122 N123 I127 Q128 S129	Q121-L125 WeakPolarHBondContact O-CG 3.29Å; Q121-L125 PolarHBondContact O-N 3.42Å; I122-L125 PolarHBondContact O-N 3.1Å; I122-L125 VanDerWaalsContact O-N 3.14Å; N123-L125 VanDerWaalsContact C-N 3.34Å; N123-L125 PolarHBondContact O-N 2.82Å; L125-I127 VanDerWaalsContact C-N 3.34Å; L125-I127 PolarHBondContact O-N 3.01Å; L125-Q128 PolarHBondContact O-N 2.76Å; L125-S129 WeakPolarHBondContact O-CB 3.38Å; L125-S129 PolarHBondContact O-N 3.37Å
126	I	97.3	Very high	96.6	Very high	80 Å²	80	86.3 Å²	86.3	41%	0.41	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-45.1	175.6	-68.8	168.4	0	0	0	110.3	I122 N123 S129 K130	I122-I126 HydrophobicContact CG2-CD1 3.66Å; I122-I126 HydrophobicContact CG2-CG1 4.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.2Å; I122-I126 PolarHBondContact O-N 2.91Å; N123-I126 PolarHBondContact O-N 2.99Å; I126-S129 PolarHBondContact O-N 3.45Å; I126-K130 HydrophobicContact CG2-CD 4.23Å; I126-K130 WeakPolarHBondContact O-CB 3.32Å; I126-K130 WeakPolarHBondContact O-CG 3.24Å; I126-K130 PolarHBondContact O-N 3.39Å
127	I	97.6	Very high	96.5	Very high	92 Å²	92	86.9 Å²	86.9	47%	0.472	44%	0.44	S	S	.	.	H	α-helix	trans	-63.2	-44.6	178.5	-68.7	166.2	0	0	0	111.1	N123 L125 K130 R131	N123-I127 VanDerWaalsContact O-CG1 3.29Å; N123-I127 WeakPolarHBondContact O-CG1 3.24Å; N123-I127 PolarHBondContact O-N 2.92Å; L125-I127 VanDerWaalsContact C-N 3.34Å; L125-I127 PolarHBondContact O-N 3.01Å; I127-K130 PolarHBondContact O-N 3.27Å; I127-R131 WeakPolarHBondContact O-CG 3.46Å; I127-R131 PolarHBondContact O-N 3.11Å
128	Q	96.3	Very high	96.4	Very high	92 Å²	92	92 Å²	92	43%	0.43	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-46.9	177.7	-74.8	172.6	91.5	0	0	111.6	S124 L125 K130 R131 F132	S124-Q128 WeakPolarHBondContact O-CB 3.47Å; S124-Q128 VanDerWaalsContact O-CG 3.28Å; S124-Q128 WeakPolarHBondContact O-CG 3.18Å; S124-Q128 PolarHBondContact O-N 3.31Å; S124-Q128 PolarHBondContact O-NE2 2.95Å; L125-Q128 PolarHBondContact O-N 2.76Å; Q128-K130 PolarHBondContact O-N 2.79Å; Q128-R131 WeakPolarHBondContact O-CB 3.4Å; Q128-R131 PolarHBondContact O-N 3.03Å; Q128-R131 VanDerWaalsContact O-N 3.11Å; Q128-F132 HydrophobicContact CB-CE2 4.29Å; Q128-F132 WeakPolarHBondContact O-CD2 3.48Å; Q128-F132 PolarHBondContact O-N 3.29Å
129	S	96.9	Very high	96.3	Very high	59 Å²	59	99.5 Å²	99.5	41%	0.413	49%	0.487	S	S	.	.	H	α-helix	trans	-56.5	-47.4	176.5	179.2	0	0	0	0	111.8	L125 I126 R131 F132 Q133	L125-S129 WeakPolarHBondContact O-CB 3.38Å; L125-S129 PolarHBondContact O-N 3.37Å; I126-S129 PolarHBondContact O-N 3.45Å; S129-R131 VanDerWaalsContact C-N 3.33Å; S129-R131 PolarHBondContact O-N 3.4Å; S129-F132 PolarHBondContact O-N 3.24Å; S129-Q133 WeakPolarHBondContact O-CG 3.38Å; S129-Q133 PolarHBondContact O-N 2.89Å
130	K	97.2	Very high	96.2	Very high	124 Å²	124	101.6 Å²	101.6	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-59.9	-40.6	175.2	-74	-178.2	176.6	-170.3	0	112.6	I126 I127 Q128 Q133 I134	I126-K130 HydrophobicContact CG2-CD 4.23Å; I126-K130 WeakPolarHBondContact O-CB 3.32Å; I126-K130 WeakPolarHBondContact O-CG 3.24Å; I126-K130 PolarHBondContact O-N 3.39Å; I127-K130 PolarHBondContact O-N 3.27Å; Q128-K130 PolarHBondContact O-N 2.79Å; K130-Q133 PolarHBondContact O-N 3.45Å; K130-I134 WeakPolarHBondContact O-CG1 3.39Å; K130-I134 PolarHBondContact O-N 2.94Å; K130-I134 VanDerWaalsContact O-N 3.08Å
131	R	97.4	Very high	96	Very high	177 Å²	177	104.2 Å²	104.2	67%	0.668	50%	0.502	S	S	*	.	H	α-helix	trans	-63.9	-40.6	176.3	-74	174.7	175.5	-168.3	-0.9	112	I127 Q128 S129 A135	I127-R131 WeakPolarHBondContact O-CG 3.46Å; I127-R131 PolarHBondContact O-N 3.11Å; Q128-R131 WeakPolarHBondContact O-CB 3.4Å; Q128-R131 PolarHBondContact O-N 3.03Å; Q128-R131 VanDerWaalsContact O-N 3.11Å; S129-R131 VanDerWaalsContact C-N 3.33Å; S129-R131 PolarHBondContact O-N 3.4Å; R131-A135 WeakPolarHBondContact O-CB 3.42Å; R131-A135 PolarHBondContact O-N 2.76Å
132	F	96.5	Very high	95.8	Very high	151 Å²	151	108.5 Å²	108.5	66%	0.662	53%	0.531	S	S	*	.	H	α-helix	trans	-65.8	-41.8	175.8	-72.6	-60.3	0	0	0	112.3	Q128 S129 A135 N136	Q128-F132 HydrophobicContact CB-CE2 4.29Å; Q128-F132 WeakPolarHBondContact O-CD2 3.48Å; Q128-F132 PolarHBondContact O-N 3.29Å; S129-F132 PolarHBondContact O-N 3.24Å; F132-A135 PolarHBondContact O-N 3.05Å; F132-N136 WeakPolarHBondContact O-CB 3.48Å; F132-N136 PolarHBondContact O-N 2.71Å
133	Q	96.5	Very high	94.9	Very high	108 Å²	108	113.1 Å²	113.1	51%	0.505	56%	0.556	S	S	.	*	H	α-helix	trans	-57.5	-51.2	175.1	-71.9	172.1	-13.4	0	0	111.3	S129 K130 A135 N136 E137	S129-Q133 WeakPolarHBondContact O-CG 3.38Å; S129-Q133 PolarHBondContact O-N 2.89Å; K130-Q133 PolarHBondContact O-N 3.45Å; Q133-A135 VanDerWaalsContact C-N 3.33Å; Q133-A135 PolarHBondContact O-N 2.7Å; Q133-N136 PolarHBondContact O-N 2.58Å; Q133-E137 WeakPolarHBondContact O-CG 3.27Å; Q133-E137 PolarHBondContact O-N 2.83Å
134	I	96.8	Very high	94.8	Very high	89 Å²	89	114.7 Å²	114.7	46%	0.456	56%	0.562	S	S	.	*	H	α-helix	trans	-61.4	-40.9	178.5	-66.3	166.2	0	0	0	111.6	K130 K138	K130-I134 WeakPolarHBondContact O-CG1 3.39Å; K130-I134 PolarHBondContact O-N 2.94Å; K130-I134 VanDerWaalsContact O-N 3.08Å; I134-K138 HydrophobicContact CG2-CD 4.49Å; I134-K138 WeakPolarHBondContact O-CG 3.49Å; I134-K138 PolarHBondContact O-N 3.2Å; I134-K138 VanDerWaalsContact O-N 3.14Å
135	A	95.9	Very high	94.8	Very high	46 Å²	46	117.9 Å²	117.9	38%	0.38	57%	0.572	S	S	.	*	H	α-helix	trans	-65.7	-38.9	177.9	0	0	0	0	0	112	R131 F132 Q133 K138 R139	R131-A135 WeakPolarHBondContact O-CB 3.42Å; R131-A135 PolarHBondContact O-N 2.76Å; F132-A135 PolarHBondContact O-N 3.05Å; Q133-A135 VanDerWaalsContact C-N 3.33Å; Q133-A135 PolarHBondContact O-N 2.7Å; A135-K138 PolarHBondContact O-N 3.06Å; A135-R139 WeakPolarHBondContact O-CG 3.36Å; A135-R139 PolarHBondContact O-N 3.35Å
136	N	96.1	Very high	94.8	Very high	91 Å²	91	118.8 Å²	118.8	49%	0.487	58%	0.575	S	S	.	*	H	α-helix	trans	-67.9	-43.9	176.9	-168.2	52.9	0	0	0	111.8	F132 Q133 K138 R139 L140	F132-N136 WeakPolarHBondContact O-CB 3.48Å; F132-N136 PolarHBondContact O-N 2.71Å; Q133-N136 PolarHBondContact O-N 2.58Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 2.86Å; N136-R139 PolarHBondContact O-N 3.33Å; N136-R139 VanDerWaalsContact O-N 3.13Å; N136-L140 WeakPolarHBondContact O-CG 3.48Å; N136-L140 PolarHBondContact O-N 3.1Å
137	E	96	Very high	94.7	Very high	110 Å²	110	121.1 Å²	121.1	51%	0.514	58%	0.584	S	S	.	*	H	α-helix	trans	-59.3	-35.7	175.3	-74.5	173.3	-169.2	0	0	112.7	Q133 K141	Q133-E137 WeakPolarHBondContact O-CG 3.27Å; Q133-E137 PolarHBondContact O-N 2.83Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 3.13Å
138	K	95.6	Very high	94.5	Very high	141 Å²	141	122.9 Å²	122.9	61%	0.613	59%	0.591	S	S	*	*	H	α-helix	trans	-68.9	-38.2	175.2	-73.8	177.3	-179.6	-174.6	0	112.6	I134 A135 N136 K141 T142	I134-K138 HydrophobicContact CG2-CD 4.49Å; I134-K138 WeakPolarHBondContact O-CG 3.49Å; I134-K138 PolarHBondContact O-N 3.2Å; I134-K138 VanDerWaalsContact O-N 3.14Å; A135-K138 PolarHBondContact O-N 3.06Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 2.86Å; K138-K141 PolarHBondContact O-N 3.25Å; K138-T142 PolarHBondContact O-N 3.14Å; K138-T142 PolarHBondContact O-OG1 3.15Å
139	R	95	Very high	94.4	Very high	180 Å²	180	125 Å²	125	68%	0.679	60%	0.602	S	S	*	*	H	α-helix	trans	-64	-49	175.9	-71.6	179.7	180	-139.5	0.2	111.1	A135 N136 K141 T142 D143	A135-R139 WeakPolarHBondContact O-CG 3.36Å; A135-R139 PolarHBondContact O-N 3.35Å; N136-R139 PolarHBondContact O-N 3.33Å; N136-R139 VanDerWaalsContact O-N 3.13Å; R139-K141 PolarHBondContact O-N 3.05Å; R139-K141 VanDerWaalsContact O-N 3.1Å; R139-T142 PolarHBondContact O-N 2.86Å; R139-D143 PolarHBondContact O-N 3.25Å
140	L	94.7	Very high	94.2	Very high	116 Å²	116	129.7 Å²	129.7	61%	0.607	62%	0.615	S	S	*	*	H	α-helix	trans	-63.3	-16	178.2	-66.9	173.8	0	0	0	114.8	N136	N136-L140 WeakPolarHBondContact O-CG 3.48Å; N136-L140 PolarHBondContact O-N 3.1Å
141	K	92.5	Very high	93.9	Very high	173 Å²	173	130.2 Å²	130.2	75%	0.752	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-14.2	173.6	-73.9	176.2	-179.4	178.8	0	113.4	E137 K138 R139	E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 3.13Å; K138-K141 PolarHBondContact O-N 3.25Å; R139-K141 PolarHBondContact O-N 3.05Å; R139-K141 VanDerWaalsContact O-N 3.1Å
142	T	91	Very high	93.7	Very high	122 Å²	122	126.3 Å²	126.3	75%	0.748	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-29.7	-179	-51.3	0	0	0	0	111.4	K138 R139	K138-T142 PolarHBondContact O-N 3.14Å; K138-T142 PolarHBondContact O-OG1 3.15Å; R139-T142 PolarHBondContact O-N 2.86Å
143	D	77.3	Confident	93.4	Very high	188 Å²	188	124 Å²	124	100%	1.005	61%	0.613	S	S	*	*			trans	-79.2	0	170.4	-60.4	-25.1	0	0	0	111.3	R139	R139-D143 PolarHBondContact O-N 3.25Å

Retrieved 143 of 143 residues in 238.2 ms (Link to these results)

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