A0A5K4FBS6_SCHMA Loading...

Regulator of microtubule dynamics protein 1

AlphaFold DB , UniProt , Accession A0A5K4FBS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 165 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	79.3	Confident	92.1	Very high	94 Å²	94	88.3 Å²	88.3	46%	0.463	46%	0.458	S	S	.	.				0	-53.8	0	-163.1	171.4	67.8	0	0	114	A3 A4 K5 H28	M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.28Å; M1-A4 PolarHBondContact O-N 3.31Å; M1-K5 PolarHBondContact O-N 3.18Å; M1-H28 HydrophobicContact SD-CB 4.28Å
2	N	88.2	Confident	92.2	Very high	118 Å²	118	85.3 Å²	85.3	63%	0.631	45%	0.448	S	S	*	.	H	α-helix	trans	-55.4	-39.1	-171.9	-69.2	-9.2	0	0	0	115.4	K6	N2-K6 WeakPolarHBondContact O-CB 3.49Å; N2-K6 VanDerWaalsContact O-CG 3.28Å; N2-K6 WeakPolarHBondContact O-CG 3.33Å; N2-K6 PolarHBondContact O-N 3.5Å; N2-K6 VanDerWaalsContact O-N 3.11Å
3	A	92.4	Very high	92.2	Very high	79 Å²	79	89 Å²	89	65%	0.653	47%	0.469	S	S	*	.	H	α-helix	trans	-67.7	-45	178.7	0	0	0	0	0	112.4	M1 K6 A7	M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.28Å; A3-K6 PolarHBondContact O-N 2.99Å; A3-A7 WeakPolarHBondContact O-CB 3.45Å; A3-A7 PolarHBondContact O-N 3.11Å
4	A	92.4	Very high	92.4	Very high	11 Å²	11	89.2 Å²	89.2	9%	0.091	47%	0.466	C	S	.	.	H	α-helix	trans	-65.8	-40.8	178.8	0	0	0	0	0	112.1	M1 K6 A7 M8 W20 L24	M1-A4 PolarHBondContact O-N 3.31Å; A4-K6 PolarHBondContact O-N 3.35Å; A4-A7 PolarHBondContact O-N 2.87Å; A4-M8 WeakPolarHBondContact O-CB 3.49Å; A4-M8 PolarHBondContact O-N 3.1Å; A4-W20 HydrophobicContact CB-CB 4.42Å; A4-L24 HydrophobicContact CB-CD1 3.71Å
5	K	93.4	Very high	92.5	Very high	91 Å²	91	83.7 Å²	83.7	40%	0.396	44%	0.438	S	S	.	.	H	α-helix	trans	-58	-49.8	173.2	-173.6	176.4	177.7	179.3	0	111.2	M1 A7 M8 E9 Y21	M1-K5 PolarHBondContact O-N 3.18Å; K5-A7 VanDerWaalsContact C-N 3.3Å; K5-A7 PolarHBondContact O-N 2.75Å; K5-M8 PolarHBondContact O-N 3.4Å; K5-E9 WeakPolarHBondContact CE-OE1 3.43Å; K5-E9 WeakPolarHBondContact O-CG 3.38Å; K5-E9 PolarHBondContact O-N 3.12Å; K5-Y21 HydrophobicContact CB-CD2 3.99Å; K5-Y21 HydrophobicContact CB-CE2 3.79Å; K5-Y21 HydrophobicContact CD-CE2 4.5Å; K5-Y21 HydrophobicContact CG-CE2 3.95Å
6	K	95.4	Very high	92.7	Very high	133 Å²	133	82.7 Å²	82.7	58%	0.578	43%	0.433	S	S	*	.	H	α-helix	trans	-59.9	-38.4	175.9	-73.5	175.9	179.4	-176	0	112.7	N2 A3 A4 K10	N2-K6 WeakPolarHBondContact O-CB 3.49Å; N2-K6 VanDerWaalsContact O-CG 3.28Å; N2-K6 WeakPolarHBondContact O-CG 3.33Å; N2-K6 PolarHBondContact O-N 3.5Å; N2-K6 VanDerWaalsContact O-N 3.11Å; A3-K6 PolarHBondContact O-N 2.99Å; A4-K6 PolarHBondContact O-N 3.35Å; K6-K10 WeakPolarHBondContact O-CB 3.44Å; K6-K10 WeakPolarHBondContact O-CG 3.4Å; K6-K10 PolarHBondContact O-N 2.73Å
7	A	94.9	Very high	92.9	Very high	36 Å²	36	78.5 Å²	78.5	30%	0.298	41%	0.413	S	S	.	.	H	α-helix	trans	-67.7	-40.2	178.2	0	0	0	0	0	112	A3 A4 K5 N11 S17	A3-A7 WeakPolarHBondContact O-CB 3.45Å; A3-A7 PolarHBondContact O-N 3.11Å; A4-A7 PolarHBondContact O-N 2.87Å; K5-A7 VanDerWaalsContact C-N 3.3Å; K5-A7 PolarHBondContact O-N 2.75Å; A7-N11 PolarHBondContact O-N 3.37Å; A7-S17 PolarHBondContact O-OG 3.23Å
8	M	94.5	Very high	93.2	Very high	30 Å²	30	74.2 Å²	74.2	15%	0.148	39%	0.39	C	S	.	.	H	α-helix	trans	-66.2	-43.5	174	-175.4	-77.7	-67.1	0	0	111.1	A4 K5 K10 N11 P12 L18 Y21	A4-M8 WeakPolarHBondContact O-CB 3.49Å; A4-M8 PolarHBondContact O-N 3.1Å; K5-M8 PolarHBondContact O-N 3.4Å; M8-K10 PolarHBondContact O-N 2.76Å; M8-N11 CarbonylContact O-C 3.56Å; M8-N11 PolarHBondContact O-N 3.01Å; M8-P12 WeakPolarHBondContact O-CA 3.37Å; M8-P12 WeakPolarHBondContact O-CB 3.44Å; M8-L18 HydrophobicContact CG-CD2 3.85Å; M8-Y21 HydrophobicContact CB-CD1 4.27Å; M8-Y21 HydrophobicContact CB-CG 4.14Å; M8-Y21 HydrophobicContact CE-CD1 3.85Å; M8-Y21 HydrophobicContact CE-CE1 3.62Å; M8-Y21 HydrophobicContact CG-CD1 3.95Å; M8-Y21 HydrophobicContact CG-CG 4.31Å
9	E	94.1	Very high	93.4	Very high	113 Å²	113	70.3 Å²	70.3	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-38.9	177.5	-72.9	168.3	168.3	0	0	112.7	K5	K5-E9 WeakPolarHBondContact CE-OE1 3.43Å; K5-E9 WeakPolarHBondContact O-CG 3.38Å; K5-E9 PolarHBondContact O-N 3.12Å
10	K	95.5	Very high	93.6	Very high	171 Å²	171	73.1 Å²	73.1	74%	0.743	38%	0.375	S	S	*	.	H	α-helix	trans	-74.8	-36.1	177.3	-74.2	-175.2	175	-168.9	0	113.1	K6 M8	K6-K10 WeakPolarHBondContact O-CB 3.44Å; K6-K10 WeakPolarHBondContact O-CG 3.4Å; K6-K10 PolarHBondContact O-N 2.73Å; M8-K10 PolarHBondContact O-N 2.76Å
11	N	93.3	Very high	93.7	Very high	95 Å²	95	70.9 Å²	70.9	51%	0.508	36%	0.362	S	S	.	.			trans	-131.9	72.1	-177.4	-66.6	-39.4	0	0	0	110.3	A7 M8 N13 H14	A7-N11 PolarHBondContact O-N 3.37Å; M8-N11 CarbonylContact O-C 3.56Å; M8-N11 PolarHBondContact O-N 3.01Å; N11-N13 PolarHBondContact O-N 2.87Å; N11-H14 HydrophobicContact CB-CB 3.79Å; N11-H14 PolarHBondContact O-N 3.22Å; N11-H14 VanDerWaalsContact O-N 3.13Å
12	P	92.4	Very high	94.6	Very high	53 Å²	53	66.4 Å²	66.4	34%	0.344	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.2	-170.7	27.2	-36.2	0	0	0	114.5	M8 R50	M8-P12 WeakPolarHBondContact O-CA 3.37Å; M8-P12 WeakPolarHBondContact O-CB 3.44Å; P12-R50 PolarHBondContact O-NH2 3.42Å
13	N	92.5	Very high	95	Very high	133 Å²	133	62.9 Å²	62.9	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	11	179	-60.8	-28.8	0	0	0	112.5	N11 A54	N11-N13 PolarHBondContact O-N 2.87Å; N13-A54 WeakPolarHBondContact O-CB 3.43Å
14	H	95	Very high	95.2	Very high	92 Å²	92	62.2 Å²	62.2	43%	0.426	31%	0.306	S	S	.	.			trans	-93.2	121.4	177.2	-178.3	-104.5	0	0	0	110	N11 N16 S17 L18	N11-H14 HydrophobicContact CB-CB 3.79Å; N11-H14 PolarHBondContact O-N 3.22Å; N11-H14 VanDerWaalsContact O-N 3.13Å; H14-N16 PolarHBondContact O-N 3.06Å; H14-S17 PolarHBondContact ND1-N 2.82Å; H14-S17 PolarHBondContact ND1-OG 3.44Å; H14-S17 WeakPolarHBondContact O-CB 3.41Å; H14-S17 PolarHBondContact O-N 2.85Å; H14-L18 PolarHBondContact O-N 3.24Å; H14-L18 VanDerWaalsContact O-N 3.08Å
15	A	94.5	Very high	95.3	Very high	6 Å²	6	63.6 Å²	63.6	5%	0.05	31%	0.309	C	S	.	.	H	α-helix	trans	-51.1	-56.2	-173.1	0	0	0	0	0	112.1	S17 L18 T19 S51 A54 D55	A15-S17 PolarHBondContact O-N 3.4Å; A15-S17 VanDerWaalsContact O-N 3.15Å; A15-L18 CarbonylContact O-C 3.14Å; A15-L18 WeakPolarHBondContact O-CA 3.03Å; A15-L18 WeakPolarHBondContact O-CB 3.36Å; A15-L18 PolarHBondContact O-N 3.28Å; A15-T19 PolarHBondContact O-N 3.06Å; A15-T19 PolarHBondContact O-OG1 2.92Å; A15-S51 PolarHBondContact O-OG 3.04Å; A15-A54 HydrophobicContact CB-CB 3.92Å; A15-D55 HydrophobicContact CB-CB 3.39Å
16	N	95.3	Very high	95.4	Very high	68 Å²	68	60.1 Å²	60.1	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-32.3	-178.9	-68.9	-34.8	0	0	0	113.7	H14 W20 N58	H14-N16 PolarHBondContact O-N 3.06Å; N16-W20 WeakPolarHBondContact O-CB 3.34Å; N16-W20 VanDerWaalsContact O-CD1 3.22Å; N16-W20 PolarHBondContact O-N 3.3Å; N16-N58 PolarHBondContact OD1-ND2 2.96Å
17	S	96.6	Very high	95.4	Very high	12 Å²	12	58.2 Å²	58.2	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-40.5	177.2	-65.1	0	0	0	0	110.7	A7 H14 A15 Y21	A7-S17 PolarHBondContact O-OG 3.23Å; H14-S17 PolarHBondContact ND1-N 2.82Å; H14-S17 PolarHBondContact ND1-OG 3.44Å; H14-S17 WeakPolarHBondContact O-CB 3.41Å; H14-S17 PolarHBondContact O-N 2.85Å; A15-S17 PolarHBondContact O-N 3.4Å; A15-S17 VanDerWaalsContact O-N 3.15Å; S17-Y21 WeakPolarHBondContact O-CB 3.28Å; S17-Y21 PolarHBondContact O-N 2.84Å
18	L	97.2	Very high	95.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-48.2	173.8	-68.2	163.3	0	0	0	111.4	M8 H14 A15 Y21 G22 I47 R50 A54	M8-L18 HydrophobicContact CG-CD2 3.85Å; H14-L18 PolarHBondContact O-N 3.24Å; H14-L18 VanDerWaalsContact O-N 3.08Å; A15-L18 CarbonylContact O-C 3.14Å; A15-L18 WeakPolarHBondContact O-CA 3.03Å; A15-L18 WeakPolarHBondContact O-CB 3.36Å; A15-L18 PolarHBondContact O-N 3.28Å; L18-Y21 PolarHBondContact O-N 2.99Å; L18-G22 PolarHBondContact O-N 3.35Å; L18-I47 HydrophobicContact CB-CG2 4.34Å; L18-I47 WeakPolarHBondContact O-CG2 3.19Å; L18-R50 HydrophobicContact CD1-CB 3.9Å; L18-A54 HydrophobicContact CD1-CB 4.47Å
19	T	97.6	Very high	95.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.4	-55.8	-178.6	-43.6	0	0	0	0	111.2	A15 Y21 G22 I23 W48 S51 N58 I60 T61	A15-T19 PolarHBondContact O-N 3.06Å; A15-T19 PolarHBondContact O-OG1 2.92Å; T19-Y21 VanDerWaalsContact C-N 3.28Å; T19-Y21 PolarHBondContact O-N 3.5Å; T19-G22 PolarHBondContact O-N 3.05Å; T19-I23 HydrophobicContact CG2-CD1 4.05Å; T19-I23 WeakPolarHBondContact O-CG1 3.11Å; T19-I23 PolarHBondContact O-N 3.01Å; T19-W48 HydrophobicContact CG2-CZ3 4.29Å; T19-S51 PolarHBondContact N-OG 3.26Å; T19-S51 PolarHBondContact OG1-OG 3.5Å; T19-N58 PolarHBondContact OG1-ND2 3.09Å; T19-I60 HydrophobicContact CG2-CB 4.07Å; T19-I60 HydrophobicContact CG2-CG2 3.63Å; T19-T61 PolarHBondContact OG1-OG1 3.23Å
20	W	97	Very high	95.4	Very high	125 Å²	125	55.9 Å²	55.9	47%	0.473	27%	0.272	S	S	.	.	H	α-helix	trans	-68.7	-29.6	-177.3	-76	111	0	0	0	112.6	A4 N16 I23 L24 I60	A4-W20 HydrophobicContact CB-CB 4.42Å; N16-W20 WeakPolarHBondContact O-CB 3.34Å; N16-W20 VanDerWaalsContact O-CD1 3.22Å; N16-W20 PolarHBondContact O-N 3.3Å; W20-I23 HydrophobicContact CE3-CD1 4.12Å; W20-I23 HydrophobicContact CZ3-CD1 4.24Å; W20-L24 WeakPolarHBondContact O-CB 3.49Å; W20-L24 WeakPolarHBondContact O-CD1 3.28Å; W20-L24 VanDerWaalsContact O-CG 3.24Å; W20-L24 WeakPolarHBondContact O-CG 3.46Å; W20-L24 PolarHBondContact O-N 3.07Å; W20-L24 VanDerWaalsContact O-N 3.15Å; W20-I60 HydrophobicContact CZ2-CD1 4.19Å
21	Y	97.1	Very high	95.4	Very high	28 Å²	28	54.1 Å²	54.1	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-45.7	171.5	179.5	-118.5	0	0	0	111.3	K5 M8 S17 L18 T19 L24 W25 I47	K5-Y21 HydrophobicContact CB-CD2 3.99Å; K5-Y21 HydrophobicContact CB-CE2 3.79Å; K5-Y21 HydrophobicContact CD-CE2 4.5Å; K5-Y21 HydrophobicContact CG-CE2 3.95Å; M8-Y21 HydrophobicContact CB-CD1 4.27Å; M8-Y21 HydrophobicContact CB-CG 4.14Å; M8-Y21 HydrophobicContact CE-CD1 3.85Å; M8-Y21 HydrophobicContact CE-CE1 3.62Å; M8-Y21 HydrophobicContact CG-CD1 3.95Å; M8-Y21 HydrophobicContact CG-CG 4.31Å; S17-Y21 WeakPolarHBondContact O-CB 3.28Å; S17-Y21 PolarHBondContact O-N 2.84Å; L18-Y21 PolarHBondContact O-N 2.99Å; T19-Y21 VanDerWaalsContact C-N 3.28Å; T19-Y21 PolarHBondContact O-N 3.5Å; Y21-L24 PolarHBondContact O-N 2.91Å; Y21-W25 HydrophobicContact CE1-CE3 4.36Å; Y21-W25 HydrophobicContact CE2-CB 4.42Å; Y21-W25 WeakPolarHBondContact O-CB 3.21Å; Y21-W25 PolarHBondContact O-N 2.69Å; Y21-I47 HydrophobicContact CD1-CD1 3.72Å; Y21-I47 HydrophobicContact CD1-CG1 4.49Å; Y21-I47 HydrophobicContact CE1-CD1 3.6Å
22	G	96.9	Very high	95.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-52.5	175.5	0	0	0	0	0	112.4	L18 T19 L24 W25 D26	L18-G22 PolarHBondContact O-N 3.35Å; T19-G22 PolarHBondContact O-N 3.05Å; G22-L24 PolarHBondContact O-N 3.2Å; G22-W25 PolarHBondContact O-N 3.42Å; G22-D26 VanDerWaalsContact O-CB 3.31Å; G22-D26 WeakPolarHBondContact O-CB 3.15Å; G22-D26 PolarHBondContact O-N 3.46Å
23	I	96.5	Very high	95.7	Very high	43 Å²	43	54.2 Å²	54.2	22%	0.221	27%	0.269	C	S	.	.	H	α-helix	trans	-55.8	-53.7	178.9	-66.6	173.7	0	0	0	110.5	T19 W20 W25 D26 E27 W48 I60	T19-I23 HydrophobicContact CG2-CD1 4.05Å; T19-I23 WeakPolarHBondContact O-CG1 3.11Å; T19-I23 PolarHBondContact O-N 3.01Å; W20-I23 HydrophobicContact CE3-CD1 4.12Å; W20-I23 HydrophobicContact CZ3-CD1 4.24Å; I23-W25 VanDerWaalsContact C-N 3.32Å; I23-W25 PolarHBondContact O-N 3.47Å; I23-D26 PolarHBondContact O-N 2.8Å; I23-E27 WeakPolarHBondContact O-CB 3.45Å; I23-E27 PolarHBondContact O-N 3.16Å; I23-W48 HydrophobicContact CB-CH2 4.46Å; I23-W48 HydrophobicContact CG1-CH2 3.71Å; I23-W48 HydrophobicContact CG1-CZ3 4.32Å; I23-I60 HydrophobicContact CD1-CG2 3.71Å
24	L	96.7	Very high	95.7	Very high	66 Å²	66	50.5 Å²	50.5	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-70.5	-30.7	-174.1	-69.1	173.7	0	0	0	112.5	A4 W20 Y21 G22 H28	A4-L24 HydrophobicContact CB-CD1 3.71Å; W20-L24 WeakPolarHBondContact O-CB 3.49Å; W20-L24 WeakPolarHBondContact O-CD1 3.28Å; W20-L24 VanDerWaalsContact O-CG 3.24Å; W20-L24 WeakPolarHBondContact O-CG 3.46Å; W20-L24 PolarHBondContact O-N 3.07Å; W20-L24 VanDerWaalsContact O-N 3.15Å; Y21-L24 PolarHBondContact O-N 2.91Å; G22-L24 PolarHBondContact O-N 3.2Å; L24-H28 WeakPolarHBondContact O-CB 3.25Å; L24-H28 PolarHBondContact O-N 2.97Å
25	W	95.9	Very high	95.7	Very high	40 Å²	40	51.4 Å²	51.4	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-73.9	-43.6	176.9	-172.7	32.6	0	0	0	111.4	Y21 G22 I23 H28 N29 N40 E43 I47	Y21-W25 HydrophobicContact CE1-CE3 4.36Å; Y21-W25 HydrophobicContact CE2-CB 4.42Å; Y21-W25 WeakPolarHBondContact O-CB 3.21Å; Y21-W25 PolarHBondContact O-N 2.69Å; G22-W25 PolarHBondContact O-N 3.42Å; I23-W25 VanDerWaalsContact C-N 3.32Å; I23-W25 PolarHBondContact O-N 3.47Å; W25-H28 PolarHBondContact O-N 3.09Å; W25-N29 VanDerWaalsContact CD1-ND2 3.27Å; W25-N29 PolarHBondContact NE1-ND2 3.43Å; W25-N29 VanDerWaalsContact O-CG 3.28Å; W25-N29 PolarHBondContact O-N 2.83Å; W25-N29 PolarHBondContact O-ND2 3.38Å; W25-N29 VanDerWaalsContact O-ND2 3.07Å; W25-N40 HydrophobicContact CH2-CB 4.13Å; W25-N40 HydrophobicContact CZ2-CB 3.94Å; W25-N40 WeakPolarHBondContact CZ2-OD1 3.3Å; W25-E43 HydrophobicContact CH2-CB 3.36Å; W25-E43 HydrophobicContact CH2-CG 4.08Å; W25-E43 HydrophobicContact CZ3-CB 3.57Å; W25-I47 HydrophobicContact CE3-CD1 3.53Å; W25-I47 HydrophobicContact CZ3-CD1 3.55Å
26	D	95.7	Very high	95.7	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-51.3	174.7	-167.9	36	0	0	0	110.8	G22 I23 H28 N29 N30 R37 L44	G22-D26 VanDerWaalsContact O-CB 3.31Å; G22-D26 WeakPolarHBondContact O-CB 3.15Å; G22-D26 PolarHBondContact O-N 3.46Å; I23-D26 PolarHBondContact O-N 2.8Å; D26-H28 PolarHBondContact O-N 3.46Å; D26-N29 PolarHBondContact O-N 3.27Å; D26-N30 WeakPolarHBondContact O-CB 3.34Å; D26-N30 PolarHBondContact O-N 3.25Å; D26-R37 WeakPolarHBondContact OD1-CD 3.38Å; D26-R37 WeakPolarHBondContact OD1-CG 3.3Å; D26-R37 IonicContact OD1-CZ 3.68Å; D26-R37 IonicContact OD1-NE 3.85Å; D26-R37 PolarHBondContact OD1-NE 3.04Å; D26-R37 IonicContact OD1-NH2 3.56Å; D26-R37 IonicContact OD2-CZ 2.91Å; D26-R37 IonicContact OD2-NE 3.07Å; D26-R37 PolarHBondContact OD2-NE 3.45Å; D26-R37 IonicContact OD2-NH2 3.93Å; D26-R37 PolarHBondContact OD2-NH2 3.37Å; D26-L44 HydrophobicContact CB-CD1 4.15Å; D26-L44 HydrophobicContact CB-CD2 3.58Å; D26-L44 WeakPolarHBondContact OD1-CD2 3.46Å
27	E	94.1	Very high	95.7	Very high	93 Å²	93	51.7 Å²	51.7	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-41.6	-179.7	-172.5	55.8	-152.9	0	0	111.9	I23 N29 N30 L31	I23-E27 WeakPolarHBondContact O-CB 3.45Å; I23-E27 PolarHBondContact O-N 3.16Å; E27-N29 VanDerWaalsContact C-N 3.28Å; E27-N29 PolarHBondContact O-N 3.49Å; E27-N30 WeakPolarHBondContact O-CB 3.21Å; E27-N30 PolarHBondContact O-N 3.07Å; E27-N30 VanDerWaalsContact O-N 3.15Å; E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 3.44Å
28	H	95.4	Very high	95.6	Very high	68 Å²	68	51.9 Å²	51.9	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-37.5	176.1	179.1	64.9	0	0	0	112.8	M1 L24 W25 D26 K32	M1-H28 HydrophobicContact SD-CB 4.28Å; L24-H28 WeakPolarHBondContact O-CB 3.25Å; L24-H28 PolarHBondContact O-N 2.97Å; W25-H28 PolarHBondContact O-N 3.09Å; D26-H28 PolarHBondContact O-N 3.46Å; H28-K32 PolarHBondContact CD2-NZ 3.44Å; H28-K32 WeakPolarHBondContact NE2-CE 3.14Å; H28-K32 PolarHBondContact NE2-NZ 3.35Å
29	N	95.3	Very high	95.4	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.032	28%	0.28	C	S	.	.	H	α-helix	trans	-75.9	-34.7	175.6	-64.2	-35.1	0	0	0	111.5	W25 D26 E27 L31 K32 G33 E36 R37 N40	W25-N29 VanDerWaalsContact CD1-ND2 3.27Å; W25-N29 PolarHBondContact NE1-ND2 3.43Å; W25-N29 VanDerWaalsContact O-CG 3.28Å; W25-N29 PolarHBondContact O-N 2.83Å; W25-N29 PolarHBondContact O-ND2 3.38Å; W25-N29 VanDerWaalsContact O-ND2 3.07Å; D26-N29 PolarHBondContact O-N 3.27Å; E27-N29 VanDerWaalsContact C-N 3.28Å; E27-N29 PolarHBondContact O-N 3.49Å; N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 2.88Å; N29-K32 WeakPolarHBondContact O-CB 3.39Å; N29-K32 PolarHBondContact O-N 3.13Å; N29-G33 PolarHBondContact O-N 3.41Å; N29-E36 HydrophobicContact CB-CG 4.48Å; N29-R37 HydrophobicContact CB-CB 4.31Å; N29-N40 PolarHBondContact ND2-ND2 3.07Å
30	N	94	Very high	95.2	Very high	56 Å²	56	60.1 Å²	60.1	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-39	174.6	-168.2	53.7	0	0	0	112	D26 E27 K32 G33 R37	D26-N30 WeakPolarHBondContact O-CB 3.34Å; D26-N30 PolarHBondContact O-N 3.25Å; E27-N30 WeakPolarHBondContact O-CB 3.21Å; E27-N30 PolarHBondContact O-N 3.07Å; E27-N30 VanDerWaalsContact O-N 3.15Å; N30-K32 PolarHBondContact O-N 2.68Å; N30-G33 WeakPolarHBondContact O-CA 3.38Å; N30-G33 PolarHBondContact O-N 2.9Å; N30-R37 HydrophobicContact CB-CG 4.46Å
31	L	95.5	Very high	95	Very high	134 Å²	134	54.4 Å²	54.4	70%	0.702	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.9	173.5	-71	173.2	0	0	0	113.6	E27 N29 G33	E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 3.44Å; N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 2.88Å; L31-G33 VanDerWaalsContact C-N 3.27Å
32	K	95.9	Very high	94.8	Very high	119 Å²	119	54.6 Å²	54.6	52%	0.517	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.4	173.2	-62.1	172.9	-173.9	168.3	0	112.7	H28 N29 N30 E36	H28-K32 PolarHBondContact CD2-NZ 3.44Å; H28-K32 WeakPolarHBondContact NE2-CE 3.14Å; H28-K32 PolarHBondContact NE2-NZ 3.35Å; N29-K32 WeakPolarHBondContact O-CB 3.39Å; N29-K32 PolarHBondContact O-N 3.13Å; N30-K32 PolarHBondContact O-N 2.68Å; K32-E36 HydrophobicContact CB-CB 3.9Å; K32-E36 HydrophobicContact CB-CG 3.85Å; K32-E36 HydrophobicContact CD-CG 3.83Å
33	G	95.3	Very high	94.7	Very high	31 Å²	31	59.1 Å²	59.1	32%	0.32	29%	0.293	S	S	.	.			trans	109.6	155.9	-178.4	0	0	0	0	0	113.2	N29 N30 L31 L35 E36 R37	N29-G33 PolarHBondContact O-N 3.41Å; N30-G33 WeakPolarHBondContact O-CA 3.38Å; N30-G33 PolarHBondContact O-N 2.9Å; L31-G33 VanDerWaalsContact C-N 3.27Å; G33-L35 VanDerWaalsContact C-N 3.3Å; G33-L35 PolarHBondContact O-N 3.37Å; G33-E36 WeakPolarHBondContact O-CB 3.43Å; G33-E36 PolarHBondContact O-N 3.29Å; G33-R37 PolarHBondContact O-N 3.49Å; G33-R37 VanDerWaalsContact O-N 3.16Å
34	F	93.3	Very high	94.6	Very high	56 Å²	56	57.2 Å²	57.2	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-36.6	-174	-177	-96.6	0	0	0	113.8	E36 R37 F38 V75 L82	F34-E36 VanDerWaalsContact C-N 3.26Å; F34-E36 PolarHBondContact O-N 3.47Å; F34-R37 WeakPolarHBondContact O-CB 3.43Å; F34-R37 PolarHBondContact O-N 2.5Å; F34-F38 HydrophobicContact CE1-CB 4.08Å; F34-F38 HydrophobicContact CE1-CD2 4.07Å; F34-F38 HydrophobicContact CE1-CG 4.38Å; F34-F38 HydrophobicContact CZ-CB 4.38Å; F34-F38 HydrophobicContact CZ-CD2 4.04Å; F34-F38 WeakPolarHBondContact O-CB 3.46Å; F34-F38 PolarHBondContact O-N 3.48Å; F34-V75 HydrophobicContact CE1-CG1 3.69Å; F34-V75 HydrophobicContact CE1-CG2 4.07Å; F34-V75 HydrophobicContact CE2-CG2 3.66Å; F34-V75 HydrophobicContact CZ-CB 3.97Å; F34-V75 HydrophobicContact CZ-CG1 3.51Å; F34-V75 HydrophobicContact CZ-CG2 3.23Å; F34-L82 HydrophobicContact CD1-CD1 4.29Å; F34-L82 HydrophobicContact CE1-CD1 3.74Å
35	L	94.4	Very high	94.4	Very high	110 Å²	110	56.5 Å²	56.5	58%	0.576	28%	0.276	S	S	*	.	H	α-helix	trans	-63.1	-35.4	177.7	-66.7	-179.7	0	0	0	112	G33 F38 K39 L82	G33-L35 VanDerWaalsContact C-N 3.3Å; G33-L35 PolarHBondContact O-N 3.37Å; L35-F38 PolarHBondContact O-N 3.35Å; L35-K39 WeakPolarHBondContact O-CG 3.38Å; L35-K39 PolarHBondContact O-N 3.43Å; L35-K39 VanDerWaalsContact O-N 3.09Å; L35-L82 HydrophobicContact CD2-CD1 4.49Å; L35-L82 HydrophobicContact CD2-CD2 3.79Å
36	E	95.3	Very high	94.4	Very high	59 Å²	59	58.2 Å²	58.2	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-72	-40.6	177.1	-167.7	63.3	-167.2	0	0	111.1	N29 K32 G33 F34 F38 K39 N40	N29-E36 HydrophobicContact CB-CG 4.48Å; K32-E36 HydrophobicContact CB-CB 3.9Å; K32-E36 HydrophobicContact CB-CG 3.85Å; K32-E36 HydrophobicContact CD-CG 3.83Å; G33-E36 WeakPolarHBondContact O-CB 3.43Å; G33-E36 PolarHBondContact O-N 3.29Å; F34-E36 VanDerWaalsContact C-N 3.26Å; F34-E36 PolarHBondContact O-N 3.47Å; E36-F38 VanDerWaalsContact C-N 3.32Å; E36-F38 PolarHBondContact O-N 3.01Å; E36-K39 PolarHBondContact O-N 2.88Å; E36-K39 WeakPolarHBondContact OE2-CD 3.44Å; E36-K39 IonicContact OE2-NZ 2.76Å; E36-K39 PolarHBondContact OE2-NZ 3.24Å; E36-N40 PolarHBondContact O-ND2 2.73Å
37	R	94.3	Very high	94.4	Very high	22 Å²	22	58 Å²	58	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-49	169.2	-170.8	-172.6	-178.6	-172.9	-1.4	111.5	D26 N29 N30 G33 F34 K39 N40	D26-R37 WeakPolarHBondContact OD1-CD 3.38Å; D26-R37 WeakPolarHBondContact OD1-CG 3.3Å; D26-R37 IonicContact OD1-CZ 3.68Å; D26-R37 IonicContact OD1-NE 3.85Å; D26-R37 PolarHBondContact OD1-NE 3.04Å; D26-R37 IonicContact OD1-NH2 3.56Å; D26-R37 IonicContact OD2-CZ 2.91Å; D26-R37 IonicContact OD2-NE 3.07Å; D26-R37 PolarHBondContact OD2-NE 3.45Å; D26-R37 IonicContact OD2-NH2 3.93Å; D26-R37 PolarHBondContact OD2-NH2 3.37Å; N29-R37 HydrophobicContact CB-CB 4.31Å; N30-R37 HydrophobicContact CB-CG 4.46Å; G33-R37 PolarHBondContact O-N 3.49Å; G33-R37 VanDerWaalsContact O-N 3.16Å; F34-R37 WeakPolarHBondContact O-CB 3.43Å; F34-R37 PolarHBondContact O-N 2.5Å; R37-K39 PolarHBondContact O-N 3.25Å; R37-N40 PolarHBondContact O-N 2.95Å
38	F	94.1	Very high	94.5	Very high	16 Å²	16	53.7 Å²	53.7	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-37	-175.9	-171.1	-90.2	0	0	0	113.3	F34 L35 E36 N40 I41 V75 L82 F83 T86	F34-F38 HydrophobicContact CE1-CB 4.08Å; F34-F38 HydrophobicContact CE1-CD2 4.07Å; F34-F38 HydrophobicContact CE1-CG 4.38Å; F34-F38 HydrophobicContact CZ-CB 4.38Å; F34-F38 HydrophobicContact CZ-CD2 4.04Å; F34-F38 WeakPolarHBondContact O-CB 3.46Å; F34-F38 PolarHBondContact O-N 3.48Å; L35-F38 PolarHBondContact O-N 3.35Å; E36-F38 VanDerWaalsContact C-N 3.32Å; E36-F38 PolarHBondContact O-N 3.01Å; F38-N40 PolarHBondContact O-N 2.96Å; F38-N40 VanDerWaalsContact O-N 3.07Å; F38-I41 HydrophobicContact CD2-CD1 4.4Å; F38-I41 HydrophobicContact CE2-CD1 3.94Å; F38-I41 HydrophobicContact CZ-CD1 4.43Å; F38-I41 WeakPolarHBondContact O-CB 3.38Å; F38-I41 WeakPolarHBondContact O-CG2 3.36Å; F38-I41 PolarHBondContact O-N 2.74Å; F38-V75 HydrophobicContact CE2-CG1 4.45Å; F38-L82 HydrophobicContact CD1-CB 4.39Å; F38-L82 HydrophobicContact CE1-CB 3.99Å; F38-L82 WeakPolarHBondContact CE1-O 3.49Å; F38-L82 HydrophobicContact CE2-CB 4.21Å; F38-L82 HydrophobicContact CZ-CB 3.88Å; F38-L82 WeakPolarHBondContact CZ-O 3.46Å; F38-F83 AromaticContact CE2-CD1 3.95Å; F38-F83 HydrophobicContact CE2-CD1 3.95Å; F38-F83 HydrophobicContact CE2-CD2 4.11Å; F38-F83 AromaticContact CE2-CE1 3.55Å; F38-F83 HydrophobicContact CE2-CE1 3.55Å; F38-F83 AromaticContact CE2-CE2 3.72Å; F38-F83 HydrophobicContact CE2-CE2 3.72Å; F38-F83 HydrophobicContact CE2-CG 4.24Å; F38-F83 AromaticContact CE2-CZ 3.46Å; F38-F83 HydrophobicContact CE2-CZ 3.46Å; F38-F83 VanDerWaalsContact CE2-CZ 3.46Å; F38-F83 HydrophobicContact CZ-CB 4.5Å; F38-F83 AromaticContact CZ-CD1 3.63Å; F38-F83 HydrophobicContact CZ-CD1 3.63Å; F38-F83 AromaticContact CZ-CD2 3.97Å; F38-F83 HydrophobicContact CZ-CD2 3.97Å; F38-F83 AromaticContact CZ-CE1 3.74Å; F38-F83 HydrophobicContact CZ-CE1 3.74Å; F38-F83 HydrophobicContact CZ-CE2 4.07Å; F38-F83 AromaticContact CZ-CG 3.78Å; F38-F83 HydrophobicContact CZ-CG 3.78Å; F38-F83 AromaticContact CZ-CZ 4Å; F38-F83 HydrophobicContact CZ-CZ 4Å; F38-T86 HydrophobicContact CE1-CG2 4.29Å
39	K	93.9	Very high	94.5	Very high	143 Å²	143	51.8 Å²	51.8	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-55.3	-28.3	176.3	-75.4	171.6	-165.7	167.7	0	113.5	L35 E36 R37	L35-K39 WeakPolarHBondContact O-CG 3.38Å; L35-K39 PolarHBondContact O-N 3.43Å; L35-K39 VanDerWaalsContact O-N 3.09Å; E36-K39 PolarHBondContact O-N 2.88Å; E36-K39 WeakPolarHBondContact OE2-CD 3.44Å; E36-K39 IonicContact OE2-NZ 2.76Å; E36-K39 PolarHBondContact OE2-NZ 3.24Å; R37-K39 PolarHBondContact O-N 3.25Å
40	N	93	Very high	94.5	Very high	30 Å²	30	56.4 Å²	56.4	16%	0.16	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	13.8	-176.2	-60.9	-84.9	0	0	0	112.5	W25 N29 E36 R37 F38 S42 E43 L44	W25-N40 HydrophobicContact CH2-CB 4.13Å; W25-N40 HydrophobicContact CZ2-CB 3.94Å; W25-N40 WeakPolarHBondContact CZ2-OD1 3.3Å; N29-N40 PolarHBondContact ND2-ND2 3.07Å; E36-N40 PolarHBondContact O-ND2 2.73Å; R37-N40 PolarHBondContact O-N 2.95Å; F38-N40 PolarHBondContact O-N 2.96Å; F38-N40 VanDerWaalsContact O-N 3.07Å; N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 3.31Å; N40-E43 PolarHBondContact O-N 3.07Å; N40-L44 VanDerWaalsContact O-CB 3.25Å; N40-L44 WeakPolarHBondContact O-CB 3.21Å; N40-L44 PolarHBondContact O-N 2.91Å
41	I	93	Very high	94.7	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-58.1	-38.8	-174.2	-171.5	179.8	0	0	0	112.7	F38 Y45 W68 M72 F83 Y88 F93	F38-I41 HydrophobicContact CD2-CD1 4.4Å; F38-I41 HydrophobicContact CE2-CD1 3.94Å; F38-I41 HydrophobicContact CZ-CD1 4.43Å; F38-I41 WeakPolarHBondContact O-CB 3.38Å; F38-I41 WeakPolarHBondContact O-CG2 3.36Å; F38-I41 PolarHBondContact O-N 2.74Å; I41-Y45 WeakPolarHBondContact O-CB 3.36Å; I41-Y45 PolarHBondContact O-N 3.45Å; I41-W68 HydrophobicContact CD1-CZ2 4.32Å; I41-W68 HydrophobicContact CG1-CH2 4.14Å; I41-W68 HydrophobicContact CG1-CZ2 3.53Å; I41-M72 HydrophobicContact CD1-CG 4.15Å; I41-M72 HydrophobicContact CD1-SD 3.51Å; I41-M72 VanDerWaalsContact CD1-SD 3.51Å; I41-M72 HydrophobicContact CG1-SD 4.01Å; I41-F83 HydrophobicContact CD1-CE1 3.72Å; I41-F83 HydrophobicContact CD1-CZ 4.45Å; I41-Y88 HydrophobicContact CD1-CD2 4.35Å; I41-Y88 HydrophobicContact CD1-CE2 4.3Å; I41-Y88 HydrophobicContact CG1-CE2 4.28Å; I41-Y88 HydrophobicContact CG2-CD2 4.39Å; I41-Y88 HydrophobicContact CG2-CE2 3.95Å; I41-F93 HydrophobicContact CD1-CZ 3.97Å
42	S	92.9	Very high	94.8	Very high	31 Å²	31	49.4 Å²	49.4	22%	0.217	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-47.6	-176	-66.7	0	0	0	0	112.1	N40 L44 Y45 D46 Y88	N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 3.31Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-Y45 WeakPolarHBondContact O-CB 3.46Å; S42-Y45 PolarHBondContact O-N 3.1Å; S42-D46 VanDerWaalsContact O-CG 3.32Å; S42-D46 PolarHBondContact O-N 2.89Å; S42-Y88 WeakPolarHBondContact CA-OH 3.44Å; S42-Y88 WeakPolarHBondContact OG-CE2 3.5Å
43	E	94.1	Very high	94.9	Very high	95 Å²	95	51.6 Å²	51.6	44%	0.444	25%	0.247	S	C	.	.	H	α-helix	trans	-68.1	-38.3	-179.1	-65.3	81.2	177.5	0	0	111.1	W25 N40 D46 I47	W25-E43 HydrophobicContact CH2-CB 3.36Å; W25-E43 HydrophobicContact CH2-CG 4.08Å; W25-E43 HydrophobicContact CZ3-CB 3.57Å; N40-E43 PolarHBondContact O-N 3.07Å; E43-D46 PolarHBondContact O-N 3.02Å; E43-I47 WeakPolarHBondContact O-CG1 3.36Å; E43-I47 PolarHBondContact O-N 2.84Å
44	L	94	Very high	95	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-42	175.7	-177.3	60.1	0	0	0	111.3	D26 N40 S42 D46 I47 W48	D26-L44 HydrophobicContact CB-CD1 4.15Å; D26-L44 HydrophobicContact CB-CD2 3.58Å; D26-L44 WeakPolarHBondContact OD1-CD2 3.46Å; N40-L44 VanDerWaalsContact O-CB 3.25Å; N40-L44 WeakPolarHBondContact O-CB 3.21Å; N40-L44 PolarHBondContact O-N 2.91Å; S42-L44 VanDerWaalsContact C-N 3.34Å; L44-D46 VanDerWaalsContact C-N 3.33Å; L44-D46 PolarHBondContact O-N 3.4Å; L44-I47 WeakPolarHBondContact O-CB 3.37Å; L44-I47 PolarHBondContact O-N 3.15Å; L44-W48 HydrophobicContact CD1-CZ2 3.8Å; L44-W48 HydrophobicContact CG-CZ2 4.45Å; L44-W48 PolarHBondContact O-N 3.46Å
45	Y	94.2	Very high	95.2	Very high	51 Å²	51	52.5 Å²	52.5	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-46.5	172.9	-177.7	-105.1	0	0	0	111.8	I41 S42 I47 W48 I49 W68 Y69 Y88	I41-Y45 WeakPolarHBondContact O-CB 3.36Å; I41-Y45 PolarHBondContact O-N 3.45Å; S42-Y45 WeakPolarHBondContact O-CB 3.46Å; S42-Y45 PolarHBondContact O-N 3.1Å; Y45-I47 VanDerWaalsContact C-N 3.28Å; Y45-I47 PolarHBondContact O-N 2.98Å; Y45-W48 PolarHBondContact O-N 3.33Å; Y45-W48 VanDerWaalsContact O-N 3.09Å; Y45-I49 HydrophobicContact CD1-CG1 4.06Å; Y45-I49 HydrophobicContact CD2-CG1 4.31Å; Y45-I49 HydrophobicContact CE1-CD1 4.31Å; Y45-I49 HydrophobicContact CE1-CG1 3.63Å; Y45-I49 HydrophobicContact CE2-CD1 3.91Å; Y45-I49 HydrophobicContact CE2-CG1 3.93Å; Y45-I49 HydrophobicContact CG-CG1 4.39Å; Y45-I49 WeakPolarHBondContact O-CG1 3.16Å; Y45-I49 PolarHBondContact O-N 3.02Å; Y45-W68 HydrophobicContact CD2-CE3 4.44Å; Y45-W68 AromaticContact CD2-CH2 3.44Å; Y45-W68 HydrophobicContact CD2-CH2 3.44Å; Y45-W68 VanDerWaalsContact CD2-CH2 3.44Å; Y45-W68 HydrophobicContact CD2-CZ2 4.38Å; Y45-W68 AromaticContact CD2-CZ3 3.48Å; Y45-W68 HydrophobicContact CD2-CZ3 3.48Å; Y45-W68 VanDerWaalsContact CD2-CZ3 3.48Å; Y45-W68 HydrophobicContact CE2-CH2 4.38Å; Y45-W68 HydrophobicContact CE2-CZ3 4.09Å; Y45-W68 HydrophobicContact CG-CH2 4.02Å; Y45-W68 HydrophobicContact CG-CZ3 4.47Å; Y45-Y69 HydrophobicContact CE2-CE1 4.34Å; Y45-Y69 WeakPolarHBondContact CE2-OH 3.11Å; Y45-Y69 PolarHBondContact OH-OH 3.36Å; Y45-Y88 WeakPolarHBondContact CB-OH 3.41Å
46	D	94.4	Very high	95.4	Very high	76 Å²	76	50.8 Å²	50.8	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-35.7	179.5	-67.7	-14.9	0	0	0	111.9	S42 E43 L44 R50 K87	S42-D46 VanDerWaalsContact O-CG 3.32Å; S42-D46 PolarHBondContact O-N 2.89Å; E43-D46 PolarHBondContact O-N 3.02Å; L44-D46 VanDerWaalsContact C-N 3.33Å; L44-D46 PolarHBondContact O-N 3.4Å; D46-R50 WeakPolarHBondContact O-CB 3.4Å; D46-R50 WeakPolarHBondContact O-CD 3.1Å; D46-R50 WeakPolarHBondContact O-CG 3.05Å; D46-R50 PolarHBondContact O-N 2.92Å; D46-K87 IonicContact OD1-NZ 3.82Å
47	I	95.8	Very high	95.5	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-45.4	172.4	-70	163.4	0	0	0	110.8	L18 Y21 W25 E43 L44 Y45 R50 S51	L18-I47 HydrophobicContact CB-CG2 4.34Å; L18-I47 WeakPolarHBondContact O-CG2 3.19Å; Y21-I47 HydrophobicContact CD1-CD1 3.72Å; Y21-I47 HydrophobicContact CD1-CG1 4.49Å; Y21-I47 HydrophobicContact CE1-CD1 3.6Å; W25-I47 HydrophobicContact CE3-CD1 3.53Å; W25-I47 HydrophobicContact CZ3-CD1 3.55Å; E43-I47 WeakPolarHBondContact O-CG1 3.36Å; E43-I47 PolarHBondContact O-N 2.84Å; L44-I47 WeakPolarHBondContact O-CB 3.37Å; L44-I47 PolarHBondContact O-N 3.15Å; Y45-I47 VanDerWaalsContact C-N 3.28Å; Y45-I47 PolarHBondContact O-N 2.98Å; I47-R50 PolarHBondContact O-N 3.01Å; I47-S51 WeakPolarHBondContact O-CB 3.5Å; I47-S51 PolarHBondContact O-N 3.21Å
48	W	95.7	Very high	95.6	Very high	3 Å²	3	52 Å²	52	1%	0.011	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-48.6	179.8	-64.5	136.3	0	0	0	112.6	T19 I23 L44 Y45 R50 S51 E52 L65 W68	T19-W48 HydrophobicContact CG2-CZ3 4.29Å; I23-W48 HydrophobicContact CB-CH2 4.46Å; I23-W48 HydrophobicContact CG1-CH2 3.71Å; I23-W48 HydrophobicContact CG1-CZ3 4.32Å; L44-W48 HydrophobicContact CD1-CZ2 3.8Å; L44-W48 HydrophobicContact CG-CZ2 4.45Å; L44-W48 PolarHBondContact O-N 3.46Å; Y45-W48 PolarHBondContact O-N 3.33Å; Y45-W48 VanDerWaalsContact O-N 3.09Å; W48-R50 VanDerWaalsContact C-N 3.25Å; W48-R50 PolarHBondContact O-N 2.93Å; W48-S51 WeakPolarHBondContact O-CB 3.35Å; W48-S51 PolarHBondContact O-N 3.18Å; W48-S51 VanDerWaalsContact O-N 3.07Å; W48-E52 PolarHBondContact O-N 3.05Å; W48-L65 HydrophobicContact CB-CD1 3.76Å; W48-L65 HydrophobicContact CB-CD2 4.41Å; W48-L65 HydrophobicContact CB-CG 4.47Å; W48-L65 HydrophobicContact CG-CD1 4.08Å; W48-W68 AromaticContact NE1-CD1 3.63Å; W48-W68 AromaticContact NE1-CG 3.68Å
49	I	95.5	Very high	95.8	Very high	29 Å²	29	54.2 Å²	54.2	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-35.6	179.4	-62.4	-54.9	0	0	0	111.1	Y45 K53	Y45-I49 HydrophobicContact CD1-CG1 4.06Å; Y45-I49 HydrophobicContact CD2-CG1 4.31Å; Y45-I49 HydrophobicContact CE1-CD1 4.31Å; Y45-I49 HydrophobicContact CE1-CG1 3.63Å; Y45-I49 HydrophobicContact CE2-CD1 3.91Å; Y45-I49 HydrophobicContact CE2-CG1 3.93Å; Y45-I49 HydrophobicContact CG-CG1 4.39Å; Y45-I49 WeakPolarHBondContact O-CG1 3.16Å; Y45-I49 PolarHBondContact O-N 3.02Å; I49-K53 HydrophobicContact CG2-CD 4.08Å; I49-K53 WeakPolarHBondContact O-CB 3.39Å; I49-K53 WeakPolarHBondContact O-CD 3.23Å; I49-K53 WeakPolarHBondContact O-CG 3.39Å; I49-K53 PolarHBondContact O-N 3.35Å
50	R	97	Very high	96	Very high	102 Å²	102	49.2 Å²	49.2	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-69.1	-39.5	173.3	-73.8	169.2	60	-164	-1.9	112.2	P12 L18 D46 I47 W48 K53 A54	P12-R50 PolarHBondContact O-NH2 3.42Å; L18-R50 HydrophobicContact CD1-CB 3.9Å; D46-R50 WeakPolarHBondContact O-CB 3.4Å; D46-R50 WeakPolarHBondContact O-CD 3.1Å; D46-R50 WeakPolarHBondContact O-CG 3.05Å; D46-R50 PolarHBondContact O-N 2.92Å; I47-R50 PolarHBondContact O-N 3.01Å; W48-R50 VanDerWaalsContact C-N 3.25Å; W48-R50 PolarHBondContact O-N 2.93Å; R50-K53 PolarHBondContact O-N 3.02Å; R50-A54 VanDerWaalsContact O-CB 3.3Å; R50-A54 WeakPolarHBondContact O-CB 3.47Å; R50-A54 PolarHBondContact O-N 3.34Å
51	S	97.8	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-47.1	177.6	-168.5	0	0	0	0	111	A15 T19 I47 W48 A54 D55 T61	A15-S51 PolarHBondContact O-OG 3.04Å; T19-S51 PolarHBondContact N-OG 3.26Å; T19-S51 PolarHBondContact OG1-OG 3.5Å; I47-S51 WeakPolarHBondContact O-CB 3.5Å; I47-S51 PolarHBondContact O-N 3.21Å; W48-S51 WeakPolarHBondContact O-CB 3.35Å; W48-S51 PolarHBondContact O-N 3.18Å; W48-S51 VanDerWaalsContact O-N 3.07Å; S51-A54 PolarHBondContact O-N 3.17Å; S51-D55 PolarHBondContact O-N 3.37Å; S51-D55 VanDerWaalsContact O-N 3.1Å; S51-T61 PolarHBondContact OG-OG1 3.37Å
52	E	97.6	Very high	96.5	Very high	44 Å²	44	47.8 Å²	47.8	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-45.4	177.5	-177	-167	-157.9	0	0	111	W48 A54 D55 P56 T61 H101	W48-E52 PolarHBondContact O-N 3.05Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 2.79Å; E52-D55 CarbonylContact O-C 3.4Å; E52-D55 PolarHBondContact O-N 3.15Å; E52-P56 WeakPolarHBondContact O-CA 3.42Å; E52-P56 WeakPolarHBondContact O-CD 3.45Å; E52-T61 HydrophobicContact CB-CG2 4.08Å; E52-H101 IonicContact OE1-CE1 3.63Å; E52-H101 PolarHBondContact OE1-CE1 3.27Å; E52-H101 IonicContact OE1-ND1 3.46Å
53	K	97.3	Very high	96.7	Very high	165 Å²	165	47 Å²	47	72%	0.717	24%	0.235	S	C	*	.	H	α-helix	trans	-63.3	-33.8	176.2	-75.7	173.1	-178.5	176.6	0	113.1	I49 R50	I49-K53 HydrophobicContact CG2-CD 4.08Å; I49-K53 WeakPolarHBondContact O-CB 3.39Å; I49-K53 WeakPolarHBondContact O-CD 3.23Å; I49-K53 WeakPolarHBondContact O-CG 3.39Å; I49-K53 PolarHBondContact O-N 3.35Å; R50-K53 PolarHBondContact O-N 3.02Å
54	A	97.6	Very high	96.9	Very high	46 Å²	46	43.4 Å²	43.4	38%	0.38	22%	0.221	S	C	.	.	H	α-helix	trans	-72	-36.5	179.8	0	0	0	0	0	112.2	N13 A15 L18 R50 S51 E52	N13-A54 WeakPolarHBondContact O-CB 3.43Å; A15-A54 HydrophobicContact CB-CB 3.92Å; L18-A54 HydrophobicContact CD1-CB 4.47Å; R50-A54 VanDerWaalsContact O-CB 3.3Å; R50-A54 WeakPolarHBondContact O-CB 3.47Å; R50-A54 PolarHBondContact O-N 3.34Å; S51-A54 PolarHBondContact O-N 3.17Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 2.79Å
55	D	97.8	Very high	97	Very high	59 Å²	59	43.2 Å²	43.2	32%	0.316	22%	0.22	S	C	.	.			trans	-151.2	97.8	172.2	-177.8	4.5	0	0	0	111	A15 S51 E52 N57 N58	A15-D55 HydrophobicContact CB-CB 3.39Å; S51-D55 PolarHBondContact O-N 3.37Å; S51-D55 VanDerWaalsContact O-N 3.1Å; E52-D55 CarbonylContact O-C 3.4Å; E52-D55 PolarHBondContact O-N 3.15Å; D55-N57 PolarHBondContact O-N 3.24Å; D55-N57 VanDerWaalsContact O-N 3.16Å; D55-N57 PolarHBondContact OD1-N 3.37Å; D55-N58 HydrophobicContact CB-CB 4.05Å; D55-N58 WeakPolarHBondContact O-CB 3.24Å; D55-N58 PolarHBondContact O-N 2.97Å; D55-N58 VanDerWaalsContact O-N 3.12Å; D55-N58 PolarHBondContact OD1-N 2.99Å
56	P	97.1	Very high	97.2	Very high	75 Å²	75	40.8 Å²	40.8	49%	0.487	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.3	179.6	26.5	-32.5	0	0	0	113.8	E52	E52-P56 WeakPolarHBondContact O-CA 3.42Å; E52-P56 WeakPolarHBondContact O-CD 3.45Å
57	N	97.5	Very high	97.4	Very high	99 Å²	99	38.4 Å²	38.4	53%	0.529	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	8.8	172.8	-66.1	-42.9	0	0	0	112.4	D55 F59 L108	D55-N57 PolarHBondContact O-N 3.24Å; D55-N57 VanDerWaalsContact O-N 3.16Å; D55-N57 PolarHBondContact OD1-N 3.37Å; N57-F59 PolarHBondContact O-N 2.86Å; N57-L108 HydrophobicContact CB-CD2 4.01Å
58	N	97.6	Very high	97.4	Very high	8 Å²	8	38 Å²	38	4%	0.043	20%	0.195	C	C	.	.			trans	-75.6	95.4	174.5	-172.7	-24.1	0	0	0	110.5	N16 T19 D55 I60 T61 E62	N16-N58 PolarHBondContact OD1-ND2 2.96Å; T19-N58 PolarHBondContact OG1-ND2 3.09Å; D55-N58 HydrophobicContact CB-CB 4.05Å; D55-N58 WeakPolarHBondContact O-CB 3.24Å; D55-N58 PolarHBondContact O-N 2.97Å; D55-N58 VanDerWaalsContact O-N 3.12Å; D55-N58 PolarHBondContact OD1-N 2.99Å; N58-I60 PolarHBondContact O-N 3.06Å; N58-I60 VanDerWaalsContact O-N 3.07Å; N58-I60 WeakPolarHBondContact OD1-CB 3.31Å; N58-I60 PolarHBondContact OD1-N 3.34Å; N58-T61 PolarHBondContact ND2-OG1 3.03Å; N58-T61 WeakPolarHBondContact O-CA 3.47Å; N58-T61 WeakPolarHBondContact O-CB 3.18Å; N58-T61 PolarHBondContact O-N 3.33Å; N58-T61 PolarHBondContact OD1-N 3.23Å; N58-E62 PolarHBondContact O-N 3.37Å
59	F	97.9	Very high	97.5	Very high	61 Å²	61	38.6 Å²	38.6	27%	0.268	20%	0.197	S	C	.	.	H	α-helix	trans	-56.6	-27.9	-179.2	76.7	-92.1	0	0	0	113.5	N57 E62 S63 C105 L108 A109 R112	N57-F59 PolarHBondContact O-N 2.86Å; F59-E62 PolarHBondContact O-N 3.3Å; F59-S63 VanDerWaalsContact O-CB 3.32Å; F59-S63 WeakPolarHBondContact O-CB 3.47Å; F59-S63 PolarHBondContact O-N 2.87Å; F59-C105 PolarHBondContact O-SG 3.02Å; F59-C105 VanDerWaalsContact O-SG 3.33Å; F59-L108 HydrophobicContact CB-CB 3.85Å; F59-L108 HydrophobicContact CB-CD1 4.3Å; F59-A109 HydrophobicContact CB-CB 3.85Å; F59-A109 HydrophobicContact CD1-CB 3.94Å; F59-A109 HydrophobicContact CD2-CB 3.72Å; F59-A109 HydrophobicContact CE1-CB 4.46Å; F59-A109 HydrophobicContact CE2-CB 4.29Å; F59-A109 HydrophobicContact CG-CB 3.54Å; F59-R112 HydrophobicContact CD2-CG 4.27Å; F59-R112 HydrophobicContact CE2-CG 3.64Å; F59-R112 HydrophobicContact CZ-CG 4.07Å
60	I	97.8	Very high	97.6	Very high	39 Å²	39	37.6 Å²	37.6	20%	0.2	19%	0.192	C	C	.	.	H	α-helix	trans	-70.7	-39.5	177.2	-54.2	176.9	0	0	0	110.1	T19 W20 I23 N58 S64	T19-I60 HydrophobicContact CG2-CB 4.07Å; T19-I60 HydrophobicContact CG2-CG2 3.63Å; W20-I60 HydrophobicContact CZ2-CD1 4.19Å; I23-I60 HydrophobicContact CD1-CG2 3.71Å; N58-I60 PolarHBondContact O-N 3.06Å; N58-I60 VanDerWaalsContact O-N 3.07Å; N58-I60 WeakPolarHBondContact OD1-CB 3.31Å; N58-I60 PolarHBondContact OD1-N 3.34Å; I60-S64 WeakPolarHBondContact O-CB 3.49Å; I60-S64 PolarHBondContact O-N 3.21Å; I60-S64 PolarHBondContact O-OG 3.02Å
61	T	98.1	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-48.4	172.8	-63.8	0	0	0	0	110.4	T19 S51 E52 N58 S63 S64 L65	T19-T61 PolarHBondContact OG1-OG1 3.23Å; S51-T61 PolarHBondContact OG-OG1 3.37Å; E52-T61 HydrophobicContact CB-CG2 4.08Å; N58-T61 PolarHBondContact ND2-OG1 3.03Å; N58-T61 WeakPolarHBondContact O-CA 3.47Å; N58-T61 WeakPolarHBondContact O-CB 3.18Å; N58-T61 PolarHBondContact O-N 3.33Å; N58-T61 PolarHBondContact OD1-N 3.23Å; T61-S63 PolarHBondContact O-N 3.04Å; T61-S64 PolarHBondContact O-N 2.88Å; T61-L65 VanDerWaalsContact O-CB 3.25Å; T61-L65 WeakPolarHBondContact O-CB 3.38Å; T61-L65 PolarHBondContact O-N 3.5Å
62	E	98.2	Very high	97.4	Very high	6 Å²	6	34 Å²	34	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-45.4	179.2	-68.7	-57.9	143	0	0	112.4	N58 F59 G66 H101 K104 C105 L108	N58-E62 PolarHBondContact O-N 3.37Å; F59-E62 PolarHBondContact O-N 3.3Å; E62-G66 PolarHBondContact O-N 2.77Å; E62-H101 WeakPolarHBondContact O-CB 3.48Å; E62-H101 IonicContact OE1-ND1 3.31Å; E62-H101 WeakPolarHBondContact OE2-CA 3.3Å; E62-H101 WeakPolarHBondContact OE2-CB 3.04Å; E62-H101 IonicContact OE2-CE1 2.73Å; E62-H101 IonicContact OE2-CG 2.61Å; E62-H101 IonicContact OE2-ND1 2.74Å; E62-H101 PolarHBondContact OE2-ND1 2.77Å; E62-K104 HydrophobicContact CG-CB 4.33Å; E62-K104 HydrophobicContact CG-CG 4.04Å; E62-C105 HydrophobicContact CB-CB 3.89Å; E62-L108 HydrophobicContact CG-CD1 4.15Å
63	S	98.3	Very high	97.4	Very high	14 Å²	14	32.3 Å²	32.3	10%	0.098	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-52.8	174.1	177	0	0	0	0	111.4	F59 T61 G66 I67 T116	F59-S63 VanDerWaalsContact O-CB 3.32Å; F59-S63 WeakPolarHBondContact O-CB 3.47Å; F59-S63 PolarHBondContact O-N 2.87Å; T61-S63 PolarHBondContact O-N 3.04Å; S63-G66 PolarHBondContact O-N 3.04Å; S63-I67 WeakPolarHBondContact O-CB 3.35Å; S63-I67 VanDerWaalsContact O-CG1 3.28Å; S63-I67 WeakPolarHBondContact O-CG1 3.48Å; S63-I67 PolarHBondContact O-N 3.03Å; S63-T116 PolarHBondContact OG-OG1 3.49Å
64	S	97.8	Very high	97.4	Very high	19 Å²	19	26 Å²	26	13%	0.133	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-44.2	-174.9	-54.1	0	0	0	0	111.8	I60 T61 I67 W68	I60-S64 WeakPolarHBondContact O-CB 3.49Å; I60-S64 PolarHBondContact O-N 3.21Å; I60-S64 PolarHBondContact O-OG 3.02Å; T61-S64 PolarHBondContact O-N 2.88Å; S64-I67 PolarHBondContact O-N 3.3Å; S64-W68 VanDerWaalsContact O-CB 3.22Å; S64-W68 WeakPolarHBondContact O-CB 3.35Å; S64-W68 PolarHBondContact O-N 3.41Å
65	L	96.9	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-41.7	179	-179.5	50.9	0	0	0	111.4	W48 T61 W68 Y69 H101	W48-L65 HydrophobicContact CB-CD1 3.76Å; W48-L65 HydrophobicContact CB-CD2 4.41Å; W48-L65 HydrophobicContact CB-CG 4.47Å; W48-L65 HydrophobicContact CG-CD1 4.08Å; T61-L65 VanDerWaalsContact O-CB 3.25Å; T61-L65 WeakPolarHBondContact O-CB 3.38Å; T61-L65 PolarHBondContact O-N 3.5Å; L65-W68 HydrophobicContact CD1-CE3 4.28Å; L65-W68 PolarHBondContact O-N 3.06Å; L65-Y69 HydrophobicContact CD1-CD2 3.71Å; L65-Y69 HydrophobicContact CD1-CE2 3.4Å; L65-Y69 VanDerWaalsContact CD1-CE2 3.4Å; L65-Y69 HydrophobicContact CD2-CE2 4.24Å; L65-Y69 HydrophobicContact CG-CD2 3.88Å; L65-Y69 HydrophobicContact CG-CE2 3.65Å; L65-Y69 VanDerWaalsContact O-CD2 3.24Å; L65-Y69 WeakPolarHBondContact O-CD2 3.35Å; L65-Y69 PolarHBondContact O-N 3.3Å; L65-H101 VanDerWaalsContact CD2-CE1 3.41Å; L65-H101 WeakPolarHBondContact CD2-CE1 3.42Å
66	G	98	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-45.7	175.5	0	0	0	0	0	113.2	E62 S63 W68 Y69 F70 A98	E62-G66 PolarHBondContact O-N 2.77Å; S63-G66 PolarHBondContact O-N 3.04Å; G66-W68 VanDerWaalsContact C-N 3.33Å; G66-W68 PolarHBondContact O-N 2.75Å; G66-Y69 PolarHBondContact O-N 3.38Å; G66-F70 PolarHBondContact O-N 3.17Å; G66-A98 VanDerWaalsContact O-CB 3.31Å; G66-A98 WeakPolarHBondContact O-CB 3.25Å
67	I	97.9	Very high	97	Very high	25 Å²	25	29.6 Å²	29.6	13%	0.128	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-42.4	174.3	-68.7	167.2	0	0	0	110.6	S63 S64 Y69 F70 I71 M102 I115 Y119	S63-I67 WeakPolarHBondContact O-CB 3.35Å; S63-I67 VanDerWaalsContact O-CG1 3.28Å; S63-I67 WeakPolarHBondContact O-CG1 3.48Å; S63-I67 PolarHBondContact O-N 3.03Å; S64-I67 PolarHBondContact O-N 3.3Å; I67-Y69 PolarHBondContact O-N 3.21Å; I67-F70 WeakPolarHBondContact O-CB 3.22Å; I67-F70 PolarHBondContact O-N 2.89Å; I67-I71 HydrophobicContact CG2-CD1 3.73Å; I67-I71 HydrophobicContact CG2-CG1 4.4Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.18Å; I67-I71 PolarHBondContact O-N 3.48Å; I67-M102 HydrophobicContact CG1-SD 4.23Å; I67-I115 HydrophobicContact CD1-CG2 3.83Å; I67-Y119 HydrophobicContact CD1-CD2 4.02Å; I67-Y119 HydrophobicContact CD1-CE2 4.44Å; I67-Y119 HydrophobicContact CG1-CD1 4.38Å; I67-Y119 HydrophobicContact CG1-CD2 3.81Å; I67-Y119 HydrophobicContact CG1-CE2 4.35Å; I67-Y119 HydrophobicContact CG1-CG 3.82Å; I67-Y119 HydrophobicContact CG2-CD1 4.21Å; I67-Y119 HydrophobicContact CG2-CD2 4.15Å; I67-Y119 HydrophobicContact CG2-CE1 3.92Å; I67-Y119 HydrophobicContact CG2-CE2 3.87Å; I67-Y119 HydrophobicContact CG2-CG 4.31Å
68	W	96.2	Very high	97	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.011	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-44.9	177.6	-175.4	91.5	0	0	0	111.8	I41 Y45 W48 S64 L65 G66 F70 I71 M72 F93	I41-W68 HydrophobicContact CD1-CZ2 4.32Å; I41-W68 HydrophobicContact CG1-CH2 4.14Å; I41-W68 HydrophobicContact CG1-CZ2 3.53Å; Y45-W68 HydrophobicContact CD2-CE3 4.44Å; Y45-W68 AromaticContact CD2-CH2 3.44Å; Y45-W68 HydrophobicContact CD2-CH2 3.44Å; Y45-W68 VanDerWaalsContact CD2-CH2 3.44Å; Y45-W68 HydrophobicContact CD2-CZ2 4.38Å; Y45-W68 AromaticContact CD2-CZ3 3.48Å; Y45-W68 HydrophobicContact CD2-CZ3 3.48Å; Y45-W68 VanDerWaalsContact CD2-CZ3 3.48Å; Y45-W68 HydrophobicContact CE2-CH2 4.38Å; Y45-W68 HydrophobicContact CE2-CZ3 4.09Å; Y45-W68 HydrophobicContact CG-CH2 4.02Å; Y45-W68 HydrophobicContact CG-CZ3 4.47Å; W48-W68 AromaticContact NE1-CD1 3.63Å; W48-W68 AromaticContact NE1-CG 3.68Å; S64-W68 VanDerWaalsContact O-CB 3.22Å; S64-W68 WeakPolarHBondContact O-CB 3.35Å; S64-W68 PolarHBondContact O-N 3.41Å; L65-W68 HydrophobicContact CD1-CE3 4.28Å; L65-W68 PolarHBondContact O-N 3.06Å; G66-W68 VanDerWaalsContact C-N 3.33Å; G66-W68 PolarHBondContact O-N 2.75Å; W68-F70 VanDerWaalsContact C-N 3.33Å; W68-F70 PolarHBondContact O-N 2.61Å; W68-I71 PolarHBondContact O-N 2.88Å; W68-M72 HydrophobicContact CD2-CG 3.84Å; W68-M72 HydrophobicContact CE3-CG 4.04Å; W68-M72 HydrophobicContact CH2-CG 3.96Å; W68-M72 HydrophobicContact CZ2-CG 3.77Å; W68-M72 HydrophobicContact CZ2-SD 4.48Å; W68-M72 HydrophobicContact CZ3-CG 4.08Å; W68-M72 WeakPolarHBondContact O-CG 3.43Å; W68-M72 PolarHBondContact O-N 3.04Å; W68-F93 HydrophobicContact CH2-CD1 4.48Å; W68-F93 AromaticContact CH2-CE1 3.59Å; W68-F93 HydrophobicContact CH2-CE1 3.59Å; W68-F93 HydrophobicContact CH2-CZ 4.31Å; W68-F93 HydrophobicContact CZ3-CD1 4.13Å; W68-F93 AromaticContact CZ3-CE1 3.66Å; W68-F93 HydrophobicContact CZ3-CE1 3.66Å
69	Y	97.4	Very high	96.8	Very high	17 Å²	17	33.6 Å²	33.6	7%	0.067	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-41.9	173.4	-86.1	-62.3	0	0	0	112.3	Y45 L65 G66 I67 I71 M72 T73 E92 F93 H101	Y45-Y69 HydrophobicContact CE2-CE1 4.34Å; Y45-Y69 WeakPolarHBondContact CE2-OH 3.11Å; Y45-Y69 PolarHBondContact OH-OH 3.36Å; L65-Y69 HydrophobicContact CD1-CD2 3.71Å; L65-Y69 HydrophobicContact CD1-CE2 3.4Å; L65-Y69 VanDerWaalsContact CD1-CE2 3.4Å; L65-Y69 HydrophobicContact CD2-CE2 4.24Å; L65-Y69 HydrophobicContact CG-CD2 3.88Å; L65-Y69 HydrophobicContact CG-CE2 3.65Å; L65-Y69 VanDerWaalsContact O-CD2 3.24Å; L65-Y69 WeakPolarHBondContact O-CD2 3.35Å; L65-Y69 PolarHBondContact O-N 3.3Å; G66-Y69 PolarHBondContact O-N 3.38Å; I67-Y69 PolarHBondContact O-N 3.21Å; Y69-I71 PolarHBondContact O-N 2.89Å; Y69-M72 PolarHBondContact O-N 3.24Å; Y69-T73 VanDerWaalsContact O-CB 3.3Å; Y69-T73 WeakPolarHBondContact O-CB 3.31Å; Y69-T73 PolarHBondContact O-N 3.42Å; Y69-T73 PolarHBondContact O-OG1 3.11Å; Y69-E92 WeakPolarHBondContact CE1-O 3.4Å; Y69-F93 HydrophobicContact CD1-CD1 4.06Å; Y69-F93 HydrophobicContact CE1-CD1 4.25Å; Y69-H101 AromaticContact CD2-CD2 3.6Å; Y69-H101 AromaticContact CE2-CD2 3.55Å; Y69-H101 AromaticContact CE2-NE2 3.45Å; Y69-H101 WeakPolarHBondContact CE2-NE2 3.48Å
70	F	98.2	Very high	96.7	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-49.5	176.1	176.4	-83.3	0	0	0	110.7	G66 I67 W68 T73 D74 Y95 A98 Y119 K122 C123 R126	G66-F70 PolarHBondContact O-N 3.17Å; I67-F70 WeakPolarHBondContact O-CB 3.22Å; I67-F70 PolarHBondContact O-N 2.89Å; W68-F70 VanDerWaalsContact C-N 3.33Å; W68-F70 PolarHBondContact O-N 2.61Å; F70-T73 PolarHBondContact O-N 3.34Å; F70-D74 WeakPolarHBondContact CE1-OD2 3.33Å; F70-D74 PolarHBondContact O-N 3.06Å; F70-Y95 AromaticContact CD2-CD1 3.89Å; F70-Y95 HydrophobicContact CD2-CD1 3.89Å; F70-Y95 HydrophobicContact CD2-CE1 4.02Å; F70-Y95 HydrophobicContact CE2-CD1 4.15Å; F70-Y95 AromaticContact CE2-CE1 3.97Å; F70-Y95 HydrophobicContact CE2-CE1 3.97Å; F70-A98 HydrophobicContact CB-CB 3.92Å; F70-Y119 HydrophobicContact CB-CD1 4.18Å; F70-Y119 AromaticContact CD1-CD1 3.48Å; F70-Y119 HydrophobicContact CD1-CD1 3.48Å; F70-Y119 VanDerWaalsContact CD1-CD1 3.48Å; F70-Y119 AromaticContact CD1-CE1 3.45Å; F70-Y119 HydrophobicContact CD1-CE1 3.45Å; F70-Y119 VanDerWaalsContact CD1-CE1 3.45Å; F70-Y119 HydrophobicContact CD2-CD1 4.45Å; F70-Y119 AromaticContact CE1-CD1 3.95Å; F70-Y119 HydrophobicContact CE1-CD1 3.95Å; F70-Y119 AromaticContact CE1-CE1 3.84Å; F70-Y119 HydrophobicContact CE1-CE1 3.84Å; F70-Y119 AromaticContact CG-CD1 3.77Å; F70-Y119 HydrophobicContact CG-CD1 3.77Å; F70-Y119 HydrophobicContact CG-CE1 4.2Å; F70-K122 HydrophobicContact CE2-CB 3.85Å; F70-K122 HydrophobicContact CZ-CB 3.74Å; F70-C123 HydrophobicContact CD2-CB 3.94Å; F70-C123 HydrophobicContact CE2-CB 4.23Å; F70-R126 HydrophobicContact CE2-CG 3.91Å; F70-R126 HydrophobicContact CZ-CG 4.24Å
71	I	95.9	Very high	96.5	Very high	25 Å²	25	36.5 Å²	36.5	13%	0.128	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-47.5	-178.6	-65.4	166.7	0	0	0	110.5	I67 W68 Y69 T73 D74 V75 Y119	I67-I71 HydrophobicContact CG2-CD1 3.73Å; I67-I71 HydrophobicContact CG2-CG1 4.4Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.18Å; I67-I71 PolarHBondContact O-N 3.48Å; W68-I71 PolarHBondContact O-N 2.88Å; Y69-I71 PolarHBondContact O-N 2.89Å; I71-T73 VanDerWaalsContact C-N 3.27Å; I71-T73 PolarHBondContact O-N 3.44Å; I71-D74 PolarHBondContact O-N 3.17Å; I71-V75 HydrophobicContact CG2-CG2 4.25Å; I71-V75 WeakPolarHBondContact O-CG2 3.48Å; I71-V75 PolarHBondContact O-N 3.36Å; I71-Y119 HydrophobicContact CG1-CE1 4.19Å
72	M	95	Very high	96.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-32.6	179.5	-65.4	-51.3	127.5	0	0	112.2	I41 W68 Y69 V75 Y76 F93	I41-M72 HydrophobicContact CD1-CG 4.15Å; I41-M72 HydrophobicContact CD1-SD 3.51Å; I41-M72 VanDerWaalsContact CD1-SD 3.51Å; I41-M72 HydrophobicContact CG1-SD 4.01Å; W68-M72 HydrophobicContact CD2-CG 3.84Å; W68-M72 HydrophobicContact CE3-CG 4.04Å; W68-M72 HydrophobicContact CH2-CG 3.96Å; W68-M72 HydrophobicContact CZ2-CG 3.77Å; W68-M72 HydrophobicContact CZ2-SD 4.48Å; W68-M72 HydrophobicContact CZ3-CG 4.08Å; W68-M72 WeakPolarHBondContact O-CG 3.43Å; W68-M72 PolarHBondContact O-N 3.04Å; Y69-M72 PolarHBondContact O-N 3.24Å; M72-V75 PolarHBondContact O-N 2.88Å; M72-Y76 VanDerWaalsContact O-CB 3.28Å; M72-Y76 WeakPolarHBondContact O-CB 3.36Å; M72-Y76 PolarHBondContact O-N 3.01Å; M72-F93 HydrophobicContact CB-CB 4.47Å; M72-F93 HydrophobicContact CB-CD1 3.69Å; M72-F93 HydrophobicContact CB-CD2 4.27Å; M72-F93 HydrophobicContact CB-CE1 3.94Å; M72-F93 HydrophobicContact CB-CE2 4.49Å; M72-F93 HydrophobicContact CB-CG 3.87Å; M72-F93 HydrophobicContact CB-CZ 4.33Å; M72-F93 HydrophobicContact CG-CD1 4.49Å; M72-F93 HydrophobicContact CG-CE1 4.32Å
73	T	97	Very high	96.1	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-47.7	172.8	-55.4	0	0	0	0	111.2	Y69 F70 I71 V75 Y76 R77 S94 Y95	Y69-T73 VanDerWaalsContact O-CB 3.3Å; Y69-T73 WeakPolarHBondContact O-CB 3.31Å; Y69-T73 PolarHBondContact O-N 3.42Å; Y69-T73 PolarHBondContact O-OG1 3.11Å; F70-T73 PolarHBondContact O-N 3.34Å; I71-T73 VanDerWaalsContact C-N 3.27Å; I71-T73 PolarHBondContact O-N 3.44Å; T73-V75 VanDerWaalsContact C-N 3.3Å; T73-V75 PolarHBondContact O-N 3.15Å; T73-Y76 PolarHBondContact O-N 2.89Å; T73-R77 HydrophobicContact CG2-CG 4.49Å; T73-R77 WeakPolarHBondContact O-CB 3.44Å; T73-R77 VanDerWaalsContact O-CG 3.28Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 3.49Å; T73-S94 VanDerWaalsContact OG1-C 3.3Å; T73-S94 WeakPolarHBondContact OG1-CA 3.41Å; T73-S94 PolarHBondContact OG1-N 3.49Å; T73-S94 VanDerWaalsContact OG1-N 3.13Å; T73-S94 PolarHBondContact OG1-O 3.33Å; T73-Y95 HydrophobicContact CG2-CD1 3.79Å; T73-Y95 HydrophobicContact CG2-CD2 4.07Å; T73-Y95 HydrophobicContact CG2-CE1 3.62Å; T73-Y95 HydrophobicContact CG2-CE2 3.93Å; T73-Y95 HydrophobicContact CG2-CG 4Å
74	D	96.4	Very high	95.8	Very high	33 Å²	33	46 Å²	46	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-42.1	176.5	-96.9	10.9	0	0	0	110.9	F70 I71 T78 Y95 R126	F70-D74 WeakPolarHBondContact CE1-OD2 3.33Å; F70-D74 PolarHBondContact O-N 3.06Å; I71-D74 PolarHBondContact O-N 3.17Å; D74-T78 WeakPolarHBondContact O-CB 3.46Å; D74-T78 VanDerWaalsContact O-CG2 3.3Å; D74-T78 WeakPolarHBondContact O-CG2 3.48Å; D74-T78 PolarHBondContact O-N 2.72Å; D74-T78 PolarHBondContact O-OG1 3.34Å; D74-Y95 WeakPolarHBondContact OD1-CE1 3.49Å; D74-Y95 VanDerWaalsContact OD1-CZ 3.31Å; D74-Y95 PolarHBondContact OD1-OH 3.29Å; D74-R126 IonicContact OD1-CZ 2.77Å; D74-R126 IonicContact OD1-NE 2.74Å; D74-R126 PolarHBondContact OD1-NE 3.2Å; D74-R126 VanDerWaalsContact OD1-NE 3.07Å; D74-R126 IonicContact OD1-NH2 3.73Å; D74-R126 IonicContact OD2-CZ 3.94Å; D74-R126 IonicContact OD2-NE 3.67Å; D74-R126 IonicContact OD2-NH2 3.46Å; D74-R126 PolarHBondContact OD2-NH2 2.92Å
75	V	95.2	Very high	95.4	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-45.9	178.4	179	0	0	0	0	110.7	F34 F38 I71 M72 T73 R77 T78 K79 L82 F83	F34-V75 HydrophobicContact CE1-CG1 3.69Å; F34-V75 HydrophobicContact CE1-CG2 4.07Å; F34-V75 HydrophobicContact CE2-CG2 3.66Å; F34-V75 HydrophobicContact CZ-CB 3.97Å; F34-V75 HydrophobicContact CZ-CG1 3.51Å; F34-V75 HydrophobicContact CZ-CG2 3.23Å; F38-V75 HydrophobicContact CE2-CG1 4.45Å; I71-V75 HydrophobicContact CG2-CG2 4.25Å; I71-V75 WeakPolarHBondContact O-CG2 3.48Å; I71-V75 PolarHBondContact O-N 3.36Å; M72-V75 PolarHBondContact O-N 2.88Å; T73-V75 VanDerWaalsContact C-N 3.3Å; T73-V75 PolarHBondContact O-N 3.15Å; V75-R77 VanDerWaalsContact C-N 3.28Å; V75-R77 PolarHBondContact O-N 3.21Å; V75-T78 PolarHBondContact O-N 3.18Å; V75-K79 HydrophobicContact CG1-CB 4.43Å; V75-K79 CarbonylContact O-C 3.52Å; V75-K79 WeakPolarHBondContact O-CA 3.32Å; V75-K79 PolarHBondContact O-N 3.4Å; V75-L82 HydrophobicContact CG1-CD1 4.09Å; V75-F83 HydrophobicContact CB-CE2 4.39Å; V75-F83 HydrophobicContact CG1-CE2 3.83Å; V75-F83 HydrophobicContact CG1-CZ 4.23Å
76	Y	95.3	Very high	95.2	Very high	75 Å²	75	51.6 Å²	51.6	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-60.5	-40.3	178.9	-173.8	-95	0	0	0	111.8	M72 T73 P80 F83 T89 G90	M72-Y76 VanDerWaalsContact O-CB 3.28Å; M72-Y76 WeakPolarHBondContact O-CB 3.36Å; M72-Y76 PolarHBondContact O-N 3.01Å; T73-Y76 PolarHBondContact O-N 2.89Å; Y76-P80 WeakPolarHBondContact O-CA 3.48Å; Y76-P80 WeakPolarHBondContact O-CB 3.22Å; Y76-P80 WeakPolarHBondContact O-CD 3.31Å; Y76-F83 HydrophobicContact CD2-CB 4.31Å; Y76-F83 HydrophobicContact CD2-CD1 4.13Å; Y76-F83 AromaticContact CD2-CD2 3.57Å; Y76-F83 HydrophobicContact CD2-CD2 3.57Å; Y76-F83 HydrophobicContact CD2-CE1 4.31Å; Y76-F83 AromaticContact CD2-CE2 3.77Å; Y76-F83 HydrophobicContact CD2-CE2 3.77Å; Y76-F83 AromaticContact CD2-CG 3.74Å; Y76-F83 HydrophobicContact CD2-CG 3.74Å; Y76-F83 HydrophobicContact CD2-CZ 4.11Å; Y76-F83 HydrophobicContact CE2-CB 4.31Å; Y76-F83 HydrophobicContact CE2-CD2 4.31Å; Y76-F83 HydrophobicContact CE2-CG 4.22Å; Y76-F83 HydrophobicContact CG-CD2 4.43Å; Y76-F83 HydrophobicContact CG-CE2 4.26Å; Y76-T89 PolarHBondContact OH-O 3.05Å; Y76-G90 VanDerWaalsContact CE2-CA 3.42Å
77	R	95.3	Very high	94.8	Very high	167 Å²	167	57.2 Å²	57.2	63%	0.63	30%	0.295	S	S	*	.	H	α-helix	trans	-71.8	-30	179	-68.7	179.6	74.3	141.9	1.6	113.5	T73 V75 Y95	T73-R77 HydrophobicContact CG2-CG 4.49Å; T73-R77 WeakPolarHBondContact O-CB 3.44Å; T73-R77 VanDerWaalsContact O-CG 3.28Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 3.49Å; V75-R77 VanDerWaalsContact C-N 3.28Å; V75-R77 PolarHBondContact O-N 3.21Å; R77-Y95 VanDerWaalsContact NH1-CE2 3.28Å
78	T	95.6	Very high	94.5	Very high	96 Å²	96	56.8 Å²	56.8	59%	0.589	29%	0.292	S	S	*	.	H	α-helix	trans	-102.6	-26.1	-174.2	58.4	0	0	0	0	114.3	D74 V75	D74-T78 WeakPolarHBondContact O-CB 3.46Å; D74-T78 VanDerWaalsContact O-CG2 3.3Å; D74-T78 WeakPolarHBondContact O-CG2 3.48Å; D74-T78 PolarHBondContact O-N 2.72Å; D74-T78 PolarHBondContact O-OG1 3.34Å; V75-T78 PolarHBondContact O-N 3.18Å
79	K	94.9	Very high	94.2	Very high	96 Å²	96	60.9 Å²	60.9	42%	0.417	32%	0.317	S	S	.	.			trans	-140	55.1	-177.1	-57.5	-164.7	-176.4	78.2	0	111.6	V75 E81 L82	V75-K79 HydrophobicContact CG1-CB 4.43Å; V75-K79 CarbonylContact O-C 3.52Å; V75-K79 WeakPolarHBondContact O-CA 3.32Å; V75-K79 PolarHBondContact O-N 3.4Å; K79-E81 WeakPolarHBondContact CA-OE1 3.38Å; K79-E81 WeakPolarHBondContact CA-OE2 3.28Å; K79-E81 WeakPolarHBondContact CB-OE1 3.38Å; K79-E81 PolarHBondContact O-N 3.43Å; K79-E81 VanDerWaalsContact O-N 3.11Å; K79-L82 HydrophobicContact CB-CD1 3.84Å; K79-L82 HydrophobicContact CB-CG 4.05Å; K79-L82 HydrophobicContact CD-CD1 3.93Å; K79-L82 PolarHBondContact O-N 3.37Å; K79-L82 VanDerWaalsContact O-N 3.12Å
80	P	94.5	Very high	93.5	Very high	62 Å²	62	60.5 Å²	60.5	40%	0.403	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-59.1	-24.3	-177.7	25.3	-34.7	0	0	0	113.1	Y76 L82 F83	Y76-P80 WeakPolarHBondContact O-CA 3.48Å; Y76-P80 WeakPolarHBondContact O-CB 3.22Å; Y76-P80 WeakPolarHBondContact O-CD 3.31Å; P80-L82 PolarHBondContact O-N 3.43Å; P80-F83 PolarHBondContact O-N 3.36Å; P80-F83 VanDerWaalsContact O-N 3.1Å
81	E	94.5	Very high	93.1	Very high	99 Å²	99	65 Å²	65	46%	0.463	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60.4	-26.1	176.9	69.3	-75	174.7	0	0	114	K79 F83 K84	K79-E81 WeakPolarHBondContact CA-OE1 3.38Å; K79-E81 WeakPolarHBondContact CA-OE2 3.28Å; K79-E81 WeakPolarHBondContact CB-OE1 3.38Å; K79-E81 PolarHBondContact O-N 3.43Å; K79-E81 VanDerWaalsContact O-N 3.11Å; E81-F83 PolarHBondContact O-N 3.07Å; E81-K84 HydrophobicContact CB-CD 4.43Å; E81-K84 WeakPolarHBondContact O-CB 3.2Å; E81-K84 WeakPolarHBondContact O-CG 3.35Å; E81-K84 PolarHBondContact O-N 2.95Å
82	L	94	Very high	92.7	Very high	43 Å²	43	66.2 Å²	66.2	23%	0.225	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-65.9	-27.1	176.5	-65.4	-179.4	0	0	0	112.1	F34 L35 F38 V75 K79 P80 K84	F34-L82 HydrophobicContact CD1-CD1 4.29Å; F34-L82 HydrophobicContact CE1-CD1 3.74Å; L35-L82 HydrophobicContact CD2-CD1 4.49Å; L35-L82 HydrophobicContact CD2-CD2 3.79Å; F38-L82 HydrophobicContact CD1-CB 4.39Å; F38-L82 HydrophobicContact CE1-CB 3.99Å; F38-L82 WeakPolarHBondContact CE1-O 3.49Å; F38-L82 HydrophobicContact CE2-CB 4.21Å; F38-L82 HydrophobicContact CZ-CB 3.88Å; F38-L82 WeakPolarHBondContact CZ-O 3.46Å; V75-L82 HydrophobicContact CG1-CD1 4.09Å; K79-L82 HydrophobicContact CB-CD1 3.84Å; K79-L82 HydrophobicContact CB-CG 4.05Å; K79-L82 HydrophobicContact CD-CD1 3.93Å; K79-L82 PolarHBondContact O-N 3.37Å; K79-L82 VanDerWaalsContact O-N 3.12Å; P80-L82 PolarHBondContact O-N 3.43Å; L82-K84 VanDerWaalsContact C-N 3.33Å
83	F	93.5	Very high	92.7	Very high	7 Å²	7	66.7 Å²	66.7	3%	0.031	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-84.6	-6.8	-178.4	-65.1	-95.4	0	0	0	113.4	F38 I41 V75 Y76 P80 E81 G85 T86 F93	F38-F83 AromaticContact CE2-CD1 3.95Å; F38-F83 HydrophobicContact CE2-CD1 3.95Å; F38-F83 HydrophobicContact CE2-CD2 4.11Å; F38-F83 AromaticContact CE2-CE1 3.55Å; F38-F83 HydrophobicContact CE2-CE1 3.55Å; F38-F83 AromaticContact CE2-CE2 3.72Å; F38-F83 HydrophobicContact CE2-CE2 3.72Å; F38-F83 HydrophobicContact CE2-CG 4.24Å; F38-F83 AromaticContact CE2-CZ 3.46Å; F38-F83 HydrophobicContact CE2-CZ 3.46Å; F38-F83 VanDerWaalsContact CE2-CZ 3.46Å; F38-F83 HydrophobicContact CZ-CB 4.5Å; F38-F83 AromaticContact CZ-CD1 3.63Å; F38-F83 HydrophobicContact CZ-CD1 3.63Å; F38-F83 AromaticContact CZ-CD2 3.97Å; F38-F83 HydrophobicContact CZ-CD2 3.97Å; F38-F83 AromaticContact CZ-CE1 3.74Å; F38-F83 HydrophobicContact CZ-CE1 3.74Å; F38-F83 HydrophobicContact CZ-CE2 4.07Å; F38-F83 AromaticContact CZ-CG 3.78Å; F38-F83 HydrophobicContact CZ-CG 3.78Å; F38-F83 AromaticContact CZ-CZ 4Å; F38-F83 HydrophobicContact CZ-CZ 4Å; I41-F83 HydrophobicContact CD1-CE1 3.72Å; I41-F83 HydrophobicContact CD1-CZ 4.45Å; V75-F83 HydrophobicContact CB-CE2 4.39Å; V75-F83 HydrophobicContact CG1-CE2 3.83Å; V75-F83 HydrophobicContact CG1-CZ 4.23Å; Y76-F83 HydrophobicContact CD2-CB 4.31Å; Y76-F83 HydrophobicContact CD2-CD1 4.13Å; Y76-F83 AromaticContact CD2-CD2 3.57Å; Y76-F83 HydrophobicContact CD2-CD2 3.57Å; Y76-F83 HydrophobicContact CD2-CE1 4.31Å; Y76-F83 AromaticContact CD2-CE2 3.77Å; Y76-F83 HydrophobicContact CD2-CE2 3.77Å; Y76-F83 AromaticContact CD2-CG 3.74Å; Y76-F83 HydrophobicContact CD2-CG 3.74Å; Y76-F83 HydrophobicContact CD2-CZ 4.11Å; Y76-F83 HydrophobicContact CE2-CB 4.31Å; Y76-F83 HydrophobicContact CE2-CD2 4.31Å; Y76-F83 HydrophobicContact CE2-CG 4.22Å; Y76-F83 HydrophobicContact CG-CD2 4.43Å; Y76-F83 HydrophobicContact CG-CE2 4.26Å; P80-F83 PolarHBondContact O-N 3.36Å; P80-F83 VanDerWaalsContact O-N 3.1Å; E81-F83 PolarHBondContact O-N 3.07Å; F83-G85 PolarHBondContact O-N 3.47Å; F83-T86 WeakPolarHBondContact O-CB 3.41Å; F83-T86 WeakPolarHBondContact O-CG2 3.49Å; F83-T86 PolarHBondContact O-N 2.95Å; F83-T86 PolarHBondContact O-OG1 3.02Å; F83-F93 HydrophobicContact CD1-CE2 4.02Å; F83-F93 HydrophobicContact CE1-CD2 4.07Å; F83-F93 AromaticContact CE1-CE2 3.34Å; F83-F93 HydrophobicContact CE1-CE2 3.34Å; F83-F93 HydrophobicContact CE1-CZ 4.07Å; F83-F93 HydrophobicContact CZ-CD2 4.4Å; F83-F93 HydrophobicContact CZ-CE2 4.08Å
84	K	92.4	Very high	92.7	Very high	168 Å²	168	67.8 Å²	67.8	73%	0.73	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	127.6	177.6	-70.9	179	178.7	177.2	0	110.4	E81 L82 T86	E81-K84 HydrophobicContact CB-CD 4.43Å; E81-K84 WeakPolarHBondContact O-CB 3.2Å; E81-K84 WeakPolarHBondContact O-CG 3.35Å; E81-K84 PolarHBondContact O-N 2.95Å; L82-K84 VanDerWaalsContact C-N 3.33Å; K84-T86 VanDerWaalsContact C-N 3.27Å; K84-T86 PolarHBondContact O-N 3.2Å
85	G	90.3	Very high	92.8	Very high	89 Å²	89	66.7 Å²	66.7	92%	0.918	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-0.6	-177.9	0	0	0	0	0	114.5	F83	F83-G85 PolarHBondContact O-N 3.47Å
86	T	91.3	Very high	92.9	Very high	49 Å²	49	71.6 Å²	71.6	30%	0.301	38%	0.382	S	S	.	.	S	Bend	trans	-86.6	170.6	168.7	76.6	0	0	0	0	111	F38 F83 K84 Y88	F38-T86 HydrophobicContact CE1-CG2 4.29Å; F83-T86 WeakPolarHBondContact O-CB 3.41Å; F83-T86 WeakPolarHBondContact O-CG2 3.49Å; F83-T86 PolarHBondContact O-N 2.95Å; F83-T86 PolarHBondContact O-OG1 3.02Å; K84-T86 VanDerWaalsContact C-N 3.27Å; K84-T86 PolarHBondContact O-N 3.2Å; T86-Y88 PolarHBondContact O-N 3.27Å; T86-Y88 PolarHBondContact OG1-N 3.28Å
87	K	90.7	Very high	93	Very high	118 Å²	118	69.8 Å²	69.8	51%	0.513	38%	0.38	S	S	.	.	S	Bend	trans	-73.1	-9.1	171.5	67.5	-179.2	178.9	-176.9	0	113.7	D46	D46-K87 IonicContact OD1-NZ 3.82Å
88	Y	91.5	Very high	93.1	Very high	15 Å²	15	61.9 Å²	61.9	6%	0.059	35%	0.35	C	S	.	.			trans	-91.1	131.2	-171.2	-61.8	-72.8	0	0	0	111.4	I41 S42 Y45 T86 E92 F93	I41-Y88 HydrophobicContact CD1-CD2 4.35Å; I41-Y88 HydrophobicContact CD1-CE2 4.3Å; I41-Y88 HydrophobicContact CG1-CE2 4.28Å; I41-Y88 HydrophobicContact CG2-CD2 4.39Å; I41-Y88 HydrophobicContact CG2-CE2 3.95Å; S42-Y88 WeakPolarHBondContact CA-OH 3.44Å; S42-Y88 WeakPolarHBondContact OG-CE2 3.5Å; Y45-Y88 WeakPolarHBondContact CB-OH 3.41Å; T86-Y88 PolarHBondContact O-N 3.27Å; T86-Y88 PolarHBondContact OG1-N 3.28Å; Y88-E92 HydrophobicContact CD1-CB 4.17Å; Y88-E92 HydrophobicContact CD1-CG 3.93Å; Y88-F93 HydrophobicContact CD1-CE1 4.25Å; Y88-F93 AromaticContact CD1-CE2 3.98Å; Y88-F93 HydrophobicContact CD1-CE2 3.98Å; Y88-F93 AromaticContact CD1-CZ 3.42Å; Y88-F93 HydrophobicContact CD1-CZ 3.42Å; Y88-F93 VanDerWaalsContact CD1-CZ 3.42Å; Y88-F93 HydrophobicContact CD2-CZ 4.33Å; Y88-F93 HydrophobicContact CE1-CE1 4.34Å; Y88-F93 AromaticContact CE1-CZ 3.82Å; Y88-F93 HydrophobicContact CE1-CZ 3.82Å; Y88-F93 AromaticContact CG-CE2 3.97Å; Y88-F93 HydrophobicContact CG-CE2 3.97Å; Y88-F93 AromaticContact CG-CZ 3.7Å; Y88-F93 HydrophobicContact CG-CZ 3.7Å
89	T	88.5	Confident	93.3	Very high	89 Å²	89	58.3 Å²	58.3	55%	0.546	33%	0.327	S	S	.	.			trans	-104.7	-2.7	-177.8	59.1	0	0	0	0	112.6	Y76 S91 E92	Y76-T89 PolarHBondContact OH-O 3.05Å; T89-S91 PolarHBondContact O-N 2.96Å; T89-S91 PolarHBondContact OG1-OG 2.87Å; T89-E92 PolarHBondContact N-OE1 3.07Å; T89-E92 PolarHBondContact N-OE2 3.25Å; T89-E92 PolarHBondContact OG1-OE1 3.45Å; T89-E92 PolarHBondContact OG1-OE2 2.84Å
90	G	84	Confident	93.4	Very high	10 Å²	10	60.5 Å²	60.5	10%	0.103	34%	0.337	C	S	.	.	S	Bend	trans	88.1	-18.3	-174	0	0	0	0	0	113.5	Y76 E92 F93	Y76-G90 VanDerWaalsContact CE2-CA 3.42Å; G90-E92 PolarHBondContact N-OE2 2.97Å; G90-E92 PolarHBondContact O-N 2.93Å; G90-F93 PolarHBondContact O-N 3.36Å
91	S	88.5	Confident	93.6	Very high	102 Å²	102	57.9 Å²	57.9	71%	0.713	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.4	175.5	65.1	0	0	0	0	112.6	T89 F93	T89-S91 PolarHBondContact O-N 2.96Å; T89-S91 PolarHBondContact OG1-OG 2.87Å; S91-F93 VanDerWaalsContact C-N 3.31Å
92	E	89.3	Confident	93.8	Very high	51 Å²	51	53.2 Å²	53.2	24%	0.238	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.8	179	-51.3	81.2	-179.3	0	0	112.1	Y69 Y88 T89 G90	Y69-E92 WeakPolarHBondContact CE1-O 3.4Å; Y88-E92 HydrophobicContact CD1-CB 4.17Å; Y88-E92 HydrophobicContact CD1-CG 3.93Å; T89-E92 PolarHBondContact N-OE1 3.07Å; T89-E92 PolarHBondContact N-OE2 3.25Å; T89-E92 PolarHBondContact OG1-OE1 3.45Å; T89-E92 PolarHBondContact OG1-OE2 2.84Å; G90-E92 PolarHBondContact N-OE2 2.97Å; G90-E92 PolarHBondContact O-N 2.93Å
93	F	93.4	Very high	94	Very high	12 Å²	12	53.9 Å²	53.9	5%	0.053	30%	0.301	C	S	.	.			trans	-115.3	124.7	-174	-46.1	-55.2	0	0	0	111.1	I41 W68 Y69 M72 F83 Y88 G90 S91	I41-F93 HydrophobicContact CD1-CZ 3.97Å; W68-F93 HydrophobicContact CH2-CD1 4.48Å; W68-F93 AromaticContact CH2-CE1 3.59Å; W68-F93 HydrophobicContact CH2-CE1 3.59Å; W68-F93 HydrophobicContact CH2-CZ 4.31Å; W68-F93 HydrophobicContact CZ3-CD1 4.13Å; W68-F93 AromaticContact CZ3-CE1 3.66Å; W68-F93 HydrophobicContact CZ3-CE1 3.66Å; Y69-F93 HydrophobicContact CD1-CD1 4.06Å; Y69-F93 HydrophobicContact CE1-CD1 4.25Å; M72-F93 HydrophobicContact CB-CB 4.47Å; M72-F93 HydrophobicContact CB-CD1 3.69Å; M72-F93 HydrophobicContact CB-CD2 4.27Å; M72-F93 HydrophobicContact CB-CE1 3.94Å; M72-F93 HydrophobicContact CB-CE2 4.49Å; M72-F93 HydrophobicContact CB-CG 3.87Å; M72-F93 HydrophobicContact CB-CZ 4.33Å; M72-F93 HydrophobicContact CG-CD1 4.49Å; M72-F93 HydrophobicContact CG-CE1 4.32Å; F83-F93 HydrophobicContact CD1-CE2 4.02Å; F83-F93 HydrophobicContact CE1-CD2 4.07Å; F83-F93 AromaticContact CE1-CE2 3.34Å; F83-F93 HydrophobicContact CE1-CE2 3.34Å; F83-F93 HydrophobicContact CE1-CZ 4.07Å; F83-F93 HydrophobicContact CZ-CD2 4.4Å; F83-F93 HydrophobicContact CZ-CE2 4.08Å; Y88-F93 HydrophobicContact CD1-CE1 4.25Å; Y88-F93 AromaticContact CD1-CE2 3.98Å; Y88-F93 HydrophobicContact CD1-CE2 3.98Å; Y88-F93 AromaticContact CD1-CZ 3.42Å; Y88-F93 HydrophobicContact CD1-CZ 3.42Å; Y88-F93 VanDerWaalsContact CD1-CZ 3.42Å; Y88-F93 HydrophobicContact CD2-CZ 4.33Å; Y88-F93 HydrophobicContact CE1-CE1 4.34Å; Y88-F93 AromaticContact CE1-CZ 3.82Å; Y88-F93 HydrophobicContact CE1-CZ 3.82Å; Y88-F93 AromaticContact CG-CE2 3.97Å; Y88-F93 HydrophobicContact CG-CE2 3.97Å; Y88-F93 AromaticContact CG-CZ 3.7Å; Y88-F93 HydrophobicContact CG-CZ 3.7Å; G90-F93 PolarHBondContact O-N 3.36Å; S91-F93 VanDerWaalsContact C-N 3.31Å
94	S	97.2	Very high	94.3	Very high	30 Å²	30	56.3 Å²	56.3	21%	0.21	31%	0.311	C	S	.	.			trans	-149	155.8	173.8	70	0	0	0	0	111	T73 E96 S97 A98	T73-S94 VanDerWaalsContact OG1-C 3.3Å; T73-S94 WeakPolarHBondContact OG1-CA 3.41Å; T73-S94 PolarHBondContact OG1-N 3.49Å; T73-S94 VanDerWaalsContact OG1-N 3.13Å; T73-S94 PolarHBondContact OG1-O 3.33Å; S94-E96 WeakPolarHBondContact CB-OE2 3.3Å; S94-E96 PolarHBondContact O-N 2.81Å; S94-S97 PolarHBondContact O-N 3.29Å; S94-S97 WeakPolarHBondContact OG-CB 3.4Å; S94-S97 PolarHBondContact OG-N 3.33Å; S94-S97 PolarHBondContact OG-OG 2.95Å; S94-A98 PolarHBondContact O-N 3.06Å
95	Y	98.4	Very high	94.6	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-28.5	172	-64.1	-54	0	0	0	110.8	F70 T73 D74 R77 A98 L99 C123 R126 L127	F70-Y95 AromaticContact CD2-CD1 3.89Å; F70-Y95 HydrophobicContact CD2-CD1 3.89Å; F70-Y95 HydrophobicContact CD2-CE1 4.02Å; F70-Y95 HydrophobicContact CE2-CD1 4.15Å; F70-Y95 AromaticContact CE2-CE1 3.97Å; F70-Y95 HydrophobicContact CE2-CE1 3.97Å; T73-Y95 HydrophobicContact CG2-CD1 3.79Å; T73-Y95 HydrophobicContact CG2-CD2 4.07Å; T73-Y95 HydrophobicContact CG2-CE1 3.62Å; T73-Y95 HydrophobicContact CG2-CE2 3.93Å; T73-Y95 HydrophobicContact CG2-CG 4Å; D74-Y95 WeakPolarHBondContact OD1-CE1 3.49Å; D74-Y95 VanDerWaalsContact OD1-CZ 3.31Å; D74-Y95 PolarHBondContact OD1-OH 3.29Å; R77-Y95 VanDerWaalsContact NH1-CE2 3.28Å; Y95-A98 WeakPolarHBondContact O-CB 3.28Å; Y95-A98 PolarHBondContact O-N 3.13Å; Y95-L99 WeakPolarHBondContact O-CB 3.12Å; Y95-L99 PolarHBondContact O-N 3.4Å; Y95-C123 PolarHBondContact O-SG 2.94Å; Y95-R126 HydrophobicContact CD1-CB 4.05Å; Y95-R126 HydrophobicContact CD1-CG 4.3Å; Y95-R126 HydrophobicContact CD2-CB 3.75Å; Y95-R126 HydrophobicContact CE1-CB 3.87Å; Y95-R126 HydrophobicContact CE1-CG 3.73Å; Y95-R126 HydrophobicContact CE2-CB 3.53Å; Y95-R126 HydrophobicContact CE2-CG 4.07Å; Y95-R126 HydrophobicContact CG-CB 4.02Å; Y95-R126 WeakPolarHBondContact OH-CD 3.44Å; Y95-L127 HydrophobicContact CD2-CD2 4.38Å
96	E	98.1	Very high	94.9	Very high	115 Å²	115	45 Å²	45	54%	0.537	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-45.8	173.8	-66.4	78.4	-179	0	0	111.4	S94 L99 K100 L127	S94-E96 WeakPolarHBondContact CB-OE2 3.3Å; S94-E96 PolarHBondContact O-N 2.81Å; E96-L99 PolarHBondContact O-N 3.45Å; E96-K100 WeakPolarHBondContact O-CB 3.49Å; E96-K100 PolarHBondContact O-N 3Å; E96-L127 HydrophobicContact CG-CD2 4.47Å; E96-L127 VanDerWaalsContact OE1-CD2 3.23Å; E96-L127 WeakPolarHBondContact OE1-CD2 3.49Å
97	S	96.9	Very high	95.3	Very high	38 Å²	38	49 Å²	49	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-45.4	173.1	-66	0	0	0	0	111	S94 L99 K100 H101	S94-S97 PolarHBondContact O-N 3.29Å; S94-S97 WeakPolarHBondContact OG-CB 3.4Å; S94-S97 PolarHBondContact OG-N 3.33Å; S94-S97 PolarHBondContact OG-OG 2.95Å; S97-L99 VanDerWaalsContact C-N 3.33Å; S97-L99 PolarHBondContact O-N 2.84Å; S97-K100 PolarHBondContact O-N 3.43Å; S97-H101 PolarHBondContact O-CD2 2.77Å; S97-H101 PolarHBondContact O-N 3.08Å
98	A	98.5	Very high	95.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-47.8	176.1	0	0	0	0	0	111.7	G66 F70 S94 Y95 H101 M102	G66-A98 VanDerWaalsContact O-CB 3.31Å; G66-A98 WeakPolarHBondContact O-CB 3.25Å; F70-A98 HydrophobicContact CB-CB 3.92Å; S94-A98 PolarHBondContact O-N 3.06Å; Y95-A98 WeakPolarHBondContact O-CB 3.28Å; Y95-A98 PolarHBondContact O-N 3.13Å; A98-H101 PolarHBondContact O-N 3Å; A98-M102 HydrophobicContact CB-CE 4Å; A98-M102 WeakPolarHBondContact O-CE 3.4Å; A98-M102 WeakPolarHBondContact O-CG 3.48Å; A98-M102 PolarHBondContact O-N 2.82Å; A98-M102 VanDerWaalsContact O-N 3.07Å
99	L	98.5	Very high	96	Very high	21 Å²	21	46 Å²	46	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-43.4	-179.2	-176.4	63.2	0	0	0	111.7	Y95 E96 S97 H101 M102 L103 L120 Y124 L127	Y95-L99 WeakPolarHBondContact O-CB 3.12Å; Y95-L99 PolarHBondContact O-N 3.4Å; E96-L99 PolarHBondContact O-N 3.45Å; S97-L99 VanDerWaalsContact C-N 3.33Å; S97-L99 PolarHBondContact O-N 2.84Å; L99-H101 PolarHBondContact O-N 3.49Å; L99-M102 PolarHBondContact O-N 2.81Å; L99-L103 HydrophobicContact CD1-CD1 3.86Å; L99-L103 HydrophobicContact CD1-CD2 4.37Å; L99-L103 HydrophobicContact CD1-CG 3.82Å; L99-L103 HydrophobicContact CD2-CD1 4.29Å; L99-L103 HydrophobicContact CG-CD1 3.7Å; L99-L103 HydrophobicContact CG-CG 4.1Å; L99-L103 VanDerWaalsContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 VanDerWaalsContact O-CG 3.28Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 2.74Å; L99-L120 HydrophobicContact CD1-CD2 3.5Å; L99-L120 VanDerWaalsContact CD1-CD2 3.5Å; L99-Y124 HydrophobicContact CD1-CD1 4.42Å; L99-Y124 HydrophobicContact CD1-CD2 4.25Å; L99-Y124 HydrophobicContact CD1-CE1 3.92Å; L99-Y124 HydrophobicContact CD1-CE2 3.68Å; L99-Y124 HydrophobicContact CD2-CD1 4.2Å; L99-Y124 HydrophobicContact CD2-CE1 3.57Å; L99-Y124 HydrophobicContact CG-CE1 4.4Å; L99-L127 HydrophobicContact CD2-CD1 3.97Å
100	K	98.2	Very high	96.4	Very high	142 Å²	142	46 Å²	46	62%	0.617	25%	0.246	S	C	*	.	H	α-helix	trans	-52.2	-52.3	177.2	177.8	-168.5	170	-162.3	0	111.5	E96 S97 K104	E96-K100 WeakPolarHBondContact O-CB 3.49Å; E96-K100 PolarHBondContact O-N 3Å; S97-K100 PolarHBondContact O-N 3.43Å; K100-K104 PolarHBondContact O-N 3.16Å
101	H	98.4	Very high	97	Very high	8 Å²	8	49 Å²	49	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-43.8	-178.2	-71.8	-72.2	0	0	0	112.2	E52 E62 L65 Y69 S97 A98 L99 L103 K104 C105	E52-H101 IonicContact OE1-CE1 3.63Å; E52-H101 PolarHBondContact OE1-CE1 3.27Å; E52-H101 IonicContact OE1-ND1 3.46Å; E62-H101 WeakPolarHBondContact O-CB 3.48Å; E62-H101 IonicContact OE1-ND1 3.31Å; E62-H101 WeakPolarHBondContact OE2-CA 3.3Å; E62-H101 WeakPolarHBondContact OE2-CB 3.04Å; E62-H101 IonicContact OE2-CE1 2.73Å; E62-H101 IonicContact OE2-CG 2.61Å; E62-H101 IonicContact OE2-ND1 2.74Å; E62-H101 PolarHBondContact OE2-ND1 2.77Å; L65-H101 VanDerWaalsContact CD2-CE1 3.41Å; L65-H101 WeakPolarHBondContact CD2-CE1 3.42Å; Y69-H101 AromaticContact CD2-CD2 3.6Å; Y69-H101 AromaticContact CE2-CD2 3.55Å; Y69-H101 AromaticContact CE2-NE2 3.45Å; Y69-H101 WeakPolarHBondContact CE2-NE2 3.48Å; S97-H101 PolarHBondContact O-CD2 2.77Å; S97-H101 PolarHBondContact O-N 3.08Å; A98-H101 PolarHBondContact O-N 3Å; L99-H101 PolarHBondContact O-N 3.49Å; H101-L103 PolarHBondContact O-N 3.3Å; H101-K104 WeakPolarHBondContact O-CB 3.42Å; H101-K104 PolarHBondContact O-N 3.39Å; H101-K104 VanDerWaalsContact O-N 3.13Å; H101-C105 PolarHBondContact O-N 2.78Å
102	M	98.7	Very high	97.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-36.3	179.3	-68.3	-173.6	-75.6	0	0	113.1	I67 A98 L99 K104 C105 E106 T116 Y119 L120 C123	I67-M102 HydrophobicContact CG1-SD 4.23Å; A98-M102 HydrophobicContact CB-CE 4Å; A98-M102 WeakPolarHBondContact O-CE 3.4Å; A98-M102 WeakPolarHBondContact O-CG 3.48Å; A98-M102 PolarHBondContact O-N 2.82Å; A98-M102 VanDerWaalsContact O-N 3.07Å; L99-M102 PolarHBondContact O-N 2.81Å; M102-K104 VanDerWaalsContact C-N 3.33Å; M102-C105 WeakPolarHBondContact O-CB 3.44Å; M102-C105 PolarHBondContact O-N 3.12Å; M102-E106 PolarHBondContact O-N 3.15Å; M102-T116 HydrophobicContact CB-CG2 3.96Å; M102-T116 HydrophobicContact CG-CG2 4.13Å; M102-Y119 WeakPolarHBondContact SD-CB 3.47Å; M102-L120 HydrophobicContact CB-CD1 4.33Å; M102-L120 HydrophobicContact CB-CD2 3.44Å; M102-L120 VanDerWaalsContact CB-CD2 3.44Å; M102-L120 HydrophobicContact CB-CG 3.75Å; M102-L120 HydrophobicContact CE-CD2 4.39Å; M102-L120 HydrophobicContact SD-CG 4.36Å; M102-C123 HydrophobicContact CE-CB 3.81Å
103	L	98.6	Very high	97.7	Very high	57 Å²	57	50.9 Å²	50.9	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-36.3	172.4	-72.5	176.4	0	0	0	111.4	L99 H101 E106 E107 L120 Y136	L99-L103 HydrophobicContact CD1-CD1 3.86Å; L99-L103 HydrophobicContact CD1-CD2 4.37Å; L99-L103 HydrophobicContact CD1-CG 3.82Å; L99-L103 HydrophobicContact CD2-CD1 4.29Å; L99-L103 HydrophobicContact CG-CD1 3.7Å; L99-L103 HydrophobicContact CG-CG 4.1Å; L99-L103 VanDerWaalsContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 VanDerWaalsContact O-CG 3.28Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 2.74Å; H101-L103 PolarHBondContact O-N 3.3Å; L103-E106 PolarHBondContact O-N 3Å; L103-E107 PolarHBondContact O-N 2.95Å; L103-L120 HydrophobicContact CD2-CD2 3.92Å; L103-L120 HydrophobicContact CG-CD2 4.03Å; L103-Y136 VanDerWaalsContact CD2-OH 3.26Å; L103-Y136 WeakPolarHBondContact CD2-OH 3.35Å
104	K	98.6	Very high	97.9	Very high	58 Å²	58	50.5 Å²	50.5	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-40.6	174	-173.1	59.2	-178.5	177.7	0	111.7	E62 K100 H101 M102 E106 E107 L108	E62-K104 HydrophobicContact CG-CB 4.33Å; E62-K104 HydrophobicContact CG-CG 4.04Å; K100-K104 PolarHBondContact O-N 3.16Å; H101-K104 WeakPolarHBondContact O-CB 3.42Å; H101-K104 PolarHBondContact O-N 3.39Å; H101-K104 VanDerWaalsContact O-N 3.13Å; M102-K104 VanDerWaalsContact C-N 3.33Å; K104-E106 VanDerWaalsContact C-N 3.34Å; K104-E106 PolarHBondContact O-N 3.13Å; K104-E107 WeakPolarHBondContact CD-OE2 3.36Å; K104-E107 VanDerWaalsContact NZ-CD 3.33Å; K104-E107 IonicContact NZ-OE1 3.89Å; K104-E107 PolarHBondContact NZ-OE1 2.96Å; K104-E107 IonicContact NZ-OE2 3.85Å; K104-E107 PolarHBondContact NZ-OE2 3.07Å; K104-E107 WeakPolarHBondContact O-CB 3.45Å; K104-E107 PolarHBondContact O-N 3.26Å; K104-L108 HydrophobicContact CD-CD1 4.32Å; K104-L108 HydrophobicContact CD-CG 4.33Å; K104-L108 HydrophobicContact CG-CD1 3.92Å; K104-L108 HydrophobicContact CG-CG 4.41Å; K104-L108 WeakPolarHBondContact O-CB 3.41Å; K104-L108 WeakPolarHBondContact O-CD1 3.49Å; K104-L108 VanDerWaalsContact O-CG 3.23Å; K104-L108 WeakPolarHBondContact O-CG 3.3Å; K104-L108 PolarHBondContact O-N 3.37Å
105	C	98.5	Very high	98	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-47.8	170.3	174.6	0	0	0	0	111.6	F59 E62 H101 M102 E107 L108 A109 T116	F59-C105 PolarHBondContact O-SG 3.02Å; F59-C105 VanDerWaalsContact O-SG 3.33Å; E62-C105 HydrophobicContact CB-CB 3.89Å; H101-C105 PolarHBondContact O-N 2.78Å; M102-C105 WeakPolarHBondContact O-CB 3.44Å; M102-C105 PolarHBondContact O-N 3.12Å; C105-E107 VanDerWaalsContact C-N 3.3Å; C105-E107 PolarHBondContact O-N 2.99Å; C105-L108 PolarHBondContact O-N 2.95Å; C105-A109 PolarHBondContact O-N 3.43Å; C105-T116 HydrophobicContact CB-CG2 4.29Å
106	E	98.2	Very high	98	Very high	18 Å²	18	52 Å²	52	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-31.3	179.6	-179.7	69.5	169.8	0	0	112.2	M102 L103 K104 P110 M111 L120 Y136 K139	M102-E106 PolarHBondContact O-N 3.15Å; L103-E106 PolarHBondContact O-N 3Å; K104-E106 VanDerWaalsContact C-N 3.34Å; K104-E106 PolarHBondContact O-N 3.13Å; E106-P110 WeakPolarHBondContact O-CA 3.5Å; E106-P110 WeakPolarHBondContact O-CD 3.33Å; E106-P110 VanDerWaalsContact O-CG 3.26Å; E106-P110 WeakPolarHBondContact O-CG 3.24Å; E106-P110 VanDerWaalsContact O-N 3.16Å; E106-M111 PolarHBondContact OE2-N 3.38Å; E106-L120 HydrophobicContact CB-CD1 4.31Å; E106-Y136 HydrophobicContact CG-CE1 4.44Å; E106-K139 IonicContact OE1-NZ 2.72Å; E106-K139 PolarHBondContact OE1-NZ 3.12Å
107	E	98.4	Very high	98	Very high	134 Å²	134	46.5 Å²	46.5	63%	0.626	23%	0.231	S	C	*	.	H	α-helix	trans	-67.6	-45.2	172.1	-173.9	-161.6	134.7	0	0	111.7	L103 K104 C105	L103-E107 PolarHBondContact O-N 2.95Å; K104-E107 WeakPolarHBondContact CD-OE2 3.36Å; K104-E107 VanDerWaalsContact NZ-CD 3.33Å; K104-E107 IonicContact NZ-OE1 3.89Å; K104-E107 PolarHBondContact NZ-OE1 2.96Å; K104-E107 IonicContact NZ-OE2 3.85Å; K104-E107 PolarHBondContact NZ-OE2 3.07Å; K104-E107 WeakPolarHBondContact O-CB 3.45Å; K104-E107 PolarHBondContact O-N 3.26Å; C105-E107 VanDerWaalsContact C-N 3.3Å; C105-E107 PolarHBondContact O-N 2.99Å
108	L	98.5	Very high	98.1	Very high	57 Å²	57	44.7 Å²	44.7	30%	0.298	22%	0.219	S	C	.	.	H	α-helix	trans	-73.5	-34.9	-177.5	-69.5	166.8	0	0	0	112.8	N57 F59 E62 K104 C105	N57-L108 HydrophobicContact CB-CD2 4.01Å; F59-L108 HydrophobicContact CB-CB 3.85Å; F59-L108 HydrophobicContact CB-CD1 4.3Å; E62-L108 HydrophobicContact CG-CD1 4.15Å; K104-L108 HydrophobicContact CD-CD1 4.32Å; K104-L108 HydrophobicContact CD-CG 4.33Å; K104-L108 HydrophobicContact CG-CD1 3.92Å; K104-L108 HydrophobicContact CG-CG 4.41Å; K104-L108 WeakPolarHBondContact O-CB 3.41Å; K104-L108 WeakPolarHBondContact O-CD1 3.49Å; K104-L108 VanDerWaalsContact O-CG 3.23Å; K104-L108 WeakPolarHBondContact O-CG 3.3Å; K104-L108 PolarHBondContact O-N 3.37Å; C105-L108 PolarHBondContact O-N 2.95Å
109	A	97.8	Very high	98.1	Very high	12 Å²	12	46.8 Å²	46.8	10%	0.099	23%	0.227	C	C	.	.	S	Bend	trans	-145.7	75.7	-176.4	0	0	0	0	0	110.9	F59 C105 M111 R112	F59-A109 HydrophobicContact CB-CB 3.85Å; F59-A109 HydrophobicContact CD1-CB 3.94Å; F59-A109 HydrophobicContact CD2-CB 3.72Å; F59-A109 HydrophobicContact CE1-CB 4.46Å; F59-A109 HydrophobicContact CE2-CB 4.29Å; F59-A109 HydrophobicContact CG-CB 3.54Å; C105-A109 PolarHBondContact O-N 3.43Å; A109-M111 PolarHBondContact O-N 3.01Å; A109-R112 HydrophobicContact CB-CB 3.7Å; A109-R112 HydrophobicContact CB-CG 3.96Å; A109-R112 WeakPolarHBondContact O-CB 3.25Å; A109-R112 PolarHBondContact O-N 2.89Å
110	P	98	Very high	98.1	Very high	89 Å²	89	45.8 Å²	45.8	58%	0.578	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	136	-176.1	-22.2	30.1	0	0	0	112.5	E106 R112	E106-P110 WeakPolarHBondContact O-CA 3.5Å; E106-P110 WeakPolarHBondContact O-CD 3.33Å; E106-P110 VanDerWaalsContact O-CG 3.26Å; E106-P110 WeakPolarHBondContact O-CG 3.24Å; E106-P110 VanDerWaalsContact O-N 3.16Å; P110-R112 PolarHBondContact O-N 3.21Å
111	M	96.5	Very high	98.1	Very high	72 Å²	72	39 Å²	39	36%	0.355	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	19.7	176.5	-61.9	-72.4	-64.4	0	0	113.9	E106 A109 L117 K139 Y143	E106-M111 PolarHBondContact OE2-N 3.38Å; A109-M111 PolarHBondContact O-N 3.01Å; M111-L117 HydrophobicContact CE-CD1 4.05Å; M111-L117 HydrophobicContact SD-CD1 3.62Å; M111-L117 HydrophobicContact SD-CD2 4.28Å; M111-K139 HydrophobicContact CE-CB 4.37Å; M111-K139 HydrophobicContact SD-CB 4.07Å; M111-K139 HydrophobicContact SD-CD 3.92Å; M111-K139 HydrophobicContact SD-CG 4.18Å; M111-Y143 HydrophobicContact CE-CD2 3.91Å; M111-Y143 HydrophobicContact CE-CE2 4.33Å; M111-Y143 VanDerWaalsContact O-CE2 3.23Å; M111-Y143 WeakPolarHBondContact O-CE2 3.19Å; M111-Y143 PolarHBondContact O-OH 3.38Å
112	R	96.7	Very high	98.1	Very high	164 Å²	164	40 Å²	40	62%	0.619	20%	0.196	S	C	*	.			trans	-76.8	-31.1	-177.3	-175.4	100	-85.5	-103.7	3.9	112.5	F59 A109 P110 Y143	F59-R112 HydrophobicContact CD2-CG 4.27Å; F59-R112 HydrophobicContact CE2-CG 3.64Å; F59-R112 HydrophobicContact CZ-CG 4.07Å; A109-R112 HydrophobicContact CB-CB 3.7Å; A109-R112 HydrophobicContact CB-CG 3.96Å; A109-R112 WeakPolarHBondContact O-CB 3.25Å; A109-R112 PolarHBondContact O-N 2.89Å; P110-R112 PolarHBondContact O-N 3.21Å; R112-Y143 PolarHBondContact O-OH 3.43Å; R112-Y143 VanDerWaalsContact O-OH 3.14Å
113	S	95.8	Very high	98.1	Very high	29 Å²	29	40 Å²	40	20%	0.203	20%	0.196	C	C	.	.			trans	-131.1	107	-173.3	173.6	0	0	0	0	110.9	I115 T116 L117	S113-I115 PolarHBondContact O-N 3.49Å; S113-T116 VanDerWaalsContact CB-OG1 3.24Å; S113-T116 WeakPolarHBondContact CB-OG1 3.47Å; S113-T116 PolarHBondContact O-N 3.09Å; S113-T116 VanDerWaalsContact O-N 3.12Å; S113-T116 PolarHBondContact OG-N 3Å; S113-T116 VanDerWaalsContact OG-N 3.13Å; S113-T116 PolarHBondContact OG-OG1 3.31Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 3.26Å; S113-L117 VanDerWaalsContact O-N 3.12Å
114	V	98	Very high	98.1	Very high	5 Å²	5	38 Å²	38	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-35.5	173	66	0	0	0	0	112.2	L117 A118 V140 Y143 A150 A153	V114-L117 PolarHBondContact O-N 3Å; V114-A118 PolarHBondContact O-N 3.31Å; V114-V140 HydrophobicContact CG2-CG1 3.98Å; V114-Y143 HydrophobicContact CB-CD1 3.72Å; V114-Y143 HydrophobicContact CB-CD2 3.93Å; V114-Y143 HydrophobicContact CB-CE1 3.74Å; V114-Y143 HydrophobicContact CB-CE2 3.94Å; V114-Y143 HydrophobicContact CB-CG 3.81Å; V114-Y143 HydrophobicContact CG1-CD1 4.5Å; V114-Y143 HydrophobicContact CG1-CE1 4.34Å; V114-Y143 HydrophobicContact CG2-CD1 3.92Å; V114-Y143 HydrophobicContact CG2-CD2 4.08Å; V114-Y143 HydrophobicContact CG2-CE1 4.45Å; V114-Y143 HydrophobicContact CG2-CG 3.7Å; V114-A150 HydrophobicContact CG1-CB 4.04Å; V114-A150 HydrophobicContact CG2-CB 4.43Å; V114-A153 HydrophobicContact CG2-CB 3.92Å
115	I	97.9	Very high	98.1	Very high	68 Å²	68	36.4 Å²	36.4	35%	0.349	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-46.2	176.9	-58.6	174.7	0	0	0	109.8	I67 S113 L117 A118 Y119 E149	I67-I115 HydrophobicContact CD1-CG2 3.83Å; S113-I115 PolarHBondContact O-N 3.49Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.36Å; I115-A118 PolarHBondContact O-N 3.04Å; I115-A118 VanDerWaalsContact O-N 3.16Å; I115-Y119 HydrophobicContact CG2-CD2 3.81Å; I115-Y119 HydrophobicContact CG2-CE2 3.87Å; I115-Y119 WeakPolarHBondContact O-CD2 3.37Å; I115-Y119 PolarHBondContact O-N 2.89Å; I115-E149 HydrophobicContact CD1-CB 4.13Å; I115-E149 HydrophobicContact CD1-CG 4.39Å; I115-E149 HydrophobicContact CG1-CB 4.4Å
116	T	98.5	Very high	98	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-42.4	178	-53.8	0	0	0	0	111	S63 M102 C105 S113 A118 Y119 L120	S63-T116 PolarHBondContact OG-OG1 3.49Å; M102-T116 HydrophobicContact CB-CG2 3.96Å; M102-T116 HydrophobicContact CG-CG2 4.13Å; C105-T116 HydrophobicContact CB-CG2 4.29Å; S113-T116 VanDerWaalsContact CB-OG1 3.24Å; S113-T116 WeakPolarHBondContact CB-OG1 3.47Å; S113-T116 PolarHBondContact O-N 3.09Å; S113-T116 VanDerWaalsContact O-N 3.12Å; S113-T116 PolarHBondContact OG-N 3Å; S113-T116 VanDerWaalsContact OG-N 3.13Å; S113-T116 PolarHBondContact OG-OG1 3.31Å; T116-A118 VanDerWaalsContact C-N 3.33Å; T116-A118 PolarHBondContact O-N 3.14Å; T116-Y119 PolarHBondContact O-N 3.04Å; T116-L120 HydrophobicContact CG2-CD1 4.31Å; T116-L120 WeakPolarHBondContact O-CG 3.36Å; T116-L120 PolarHBondContact O-N 3.33Å
117	L	98.7	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-40.3	176.2	-63.9	172.3	0	0	0	112.2	M111 S113 V114 I115 L120 A121 Y136 K139 V140 Y143	M111-L117 HydrophobicContact CE-CD1 4.05Å; M111-L117 HydrophobicContact SD-CD1 3.62Å; M111-L117 HydrophobicContact SD-CD2 4.28Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 3.26Å; S113-L117 VanDerWaalsContact O-N 3.12Å; V114-L117 PolarHBondContact O-N 3Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.36Å; L117-L120 HydrophobicContact CD2-CD1 4.5Å; L117-L120 WeakPolarHBondContact O-CB 3.42Å; L117-L120 PolarHBondContact O-N 3.19Å; L117-A121 PolarHBondContact O-N 2.9Å; L117-Y136 HydrophobicContact CD2-CD1 3.75Å; L117-Y136 HydrophobicContact CD2-CE1 3.9Å; L117-K139 HydrophobicContact CD1-CB 4.24Å; L117-K139 HydrophobicContact CD2-CD 4.03Å; L117-V140 HydrophobicContact CB-CG2 3.49Å; L117-V140 VanDerWaalsContact CB-CG2 3.49Å; L117-Y143 HydrophobicContact CD1-CD2 3.79Å; L117-Y143 HydrophobicContact CD1-CE2 3.9Å
118	A	98.6	Very high	97.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-43	176.5	0	0	0	0	0	111.7	V114 I115 T116 A121 K122 V140 A153 V157	V114-A118 PolarHBondContact O-N 3.31Å; I115-A118 PolarHBondContact O-N 3.04Å; I115-A118 VanDerWaalsContact O-N 3.16Å; T116-A118 VanDerWaalsContact C-N 3.33Å; T116-A118 PolarHBondContact O-N 3.14Å; A118-A121 WeakPolarHBondContact O-CB 3.48Å; A118-A121 PolarHBondContact O-N 3.37Å; A118-K122 WeakPolarHBondContact O-CG 3.45Å; A118-K122 PolarHBondContact O-N 3.37Å; A118-V140 HydrophobicContact CB-CG2 4.07Å; A118-A153 HydrophobicContact CB-CB 4.01Å; A118-V157 HydrophobicContact CB-CG2 3.98Å
119	Y	98.7	Very high	97.8	Very high	44 Å²	44	40.7 Å²	40.7	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-69	-31.8	174.8	-83.9	-87.6	0	0	0	113	I67 F70 I71 M102 I115 T116 K122 C123	I67-Y119 HydrophobicContact CD1-CD2 4.02Å; I67-Y119 HydrophobicContact CD1-CE2 4.44Å; I67-Y119 HydrophobicContact CG1-CD1 4.38Å; I67-Y119 HydrophobicContact CG1-CD2 3.81Å; I67-Y119 HydrophobicContact CG1-CE2 4.35Å; I67-Y119 HydrophobicContact CG1-CG 3.82Å; I67-Y119 HydrophobicContact CG2-CD1 4.21Å; I67-Y119 HydrophobicContact CG2-CD2 4.15Å; I67-Y119 HydrophobicContact CG2-CE1 3.92Å; I67-Y119 HydrophobicContact CG2-CE2 3.87Å; I67-Y119 HydrophobicContact CG2-CG 4.31Å; F70-Y119 HydrophobicContact CB-CD1 4.18Å; F70-Y119 AromaticContact CD1-CD1 3.48Å; F70-Y119 HydrophobicContact CD1-CD1 3.48Å; F70-Y119 VanDerWaalsContact CD1-CD1 3.48Å; F70-Y119 AromaticContact CD1-CE1 3.45Å; F70-Y119 HydrophobicContact CD1-CE1 3.45Å; F70-Y119 VanDerWaalsContact CD1-CE1 3.45Å; F70-Y119 HydrophobicContact CD2-CD1 4.45Å; F70-Y119 AromaticContact CE1-CD1 3.95Å; F70-Y119 HydrophobicContact CE1-CD1 3.95Å; F70-Y119 AromaticContact CE1-CE1 3.84Å; F70-Y119 HydrophobicContact CE1-CE1 3.84Å; F70-Y119 AromaticContact CG-CD1 3.77Å; F70-Y119 HydrophobicContact CG-CD1 3.77Å; F70-Y119 HydrophobicContact CG-CE1 4.2Å; I71-Y119 HydrophobicContact CG1-CE1 4.19Å; M102-Y119 WeakPolarHBondContact SD-CB 3.47Å; I115-Y119 HydrophobicContact CG2-CD2 3.81Å; I115-Y119 HydrophobicContact CG2-CE2 3.87Å; I115-Y119 WeakPolarHBondContact O-CD2 3.37Å; I115-Y119 PolarHBondContact O-N 2.89Å; T116-Y119 PolarHBondContact O-N 3.04Å; Y119-K122 HydrophobicContact CD1-CD 4.43Å; Y119-K122 PolarHBondContact O-N 3.17Å; Y119-C123 WeakPolarHBondContact O-CB 3.48Å; Y119-C123 PolarHBondContact O-N 2.89Å
120	L	98.8	Very high	97.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-47.1	169.3	-77.8	168.7	0	0	0	111	L99 M102 L103 E106 T116 L117 C123 Y124 Y136	L99-L120 HydrophobicContact CD1-CD2 3.5Å; L99-L120 VanDerWaalsContact CD1-CD2 3.5Å; M102-L120 HydrophobicContact CB-CD1 4.33Å; M102-L120 HydrophobicContact CB-CD2 3.44Å; M102-L120 VanDerWaalsContact CB-CD2 3.44Å; M102-L120 HydrophobicContact CB-CG 3.75Å; M102-L120 HydrophobicContact CE-CD2 4.39Å; M102-L120 HydrophobicContact SD-CG 4.36Å; L103-L120 HydrophobicContact CD2-CD2 3.92Å; L103-L120 HydrophobicContact CG-CD2 4.03Å; E106-L120 HydrophobicContact CB-CD1 4.31Å; T116-L120 HydrophobicContact CG2-CD1 4.31Å; T116-L120 WeakPolarHBondContact O-CG 3.36Å; T116-L120 PolarHBondContact O-N 3.33Å; L117-L120 HydrophobicContact CD2-CD1 4.5Å; L117-L120 WeakPolarHBondContact O-CB 3.42Å; L117-L120 PolarHBondContact O-N 3.19Å; L120-C123 PolarHBondContact O-N 3.42Å; L120-Y124 WeakPolarHBondContact O-CD2 3.28Å; L120-Y124 PolarHBondContact O-N 2.88Å; L120-Y136 HydrophobicContact CB-CD1 3.7Å; L120-Y136 HydrophobicContact CB-CD2 4.35Å; L120-Y136 HydrophobicContact CB-CE1 4.11Å; L120-Y136 HydrophobicContact CB-CG 3.83Å; L120-Y136 HydrophobicContact CD1-CD1 3.74Å; L120-Y136 HydrophobicContact CD1-CE1 3.34Å; L120-Y136 HydrophobicContact CG-CD1 4.33Å; L120-Y136 HydrophobicContact CG-CE1 4.27Å
121	A	98.6	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-48.1	176.2	0	0	0	0	0	111.9	L117 A118 C123 Y124 A125 A133 V157 L160	L117-A121 PolarHBondContact O-N 2.9Å; A118-A121 WeakPolarHBondContact O-CB 3.48Å; A118-A121 PolarHBondContact O-N 3.37Å; A121-C123 VanDerWaalsContact C-N 3.35Å; A121-C123 PolarHBondContact O-N 2.86Å; A121-Y124 PolarHBondContact O-N 3.34Å; A121-A125 WeakPolarHBondContact O-CB 3.31Å; A121-A125 PolarHBondContact O-N 3.23Å; A121-A133 WeakPolarHBondContact O-CB 3.42Å; A121-V157 HydrophobicContact CB-CG2 4.42Å; A121-L160 HydrophobicContact CB-CD2 4.17Å
122	K	98.5	Very high	97.7	Very high	27 Å²	27	48.8 Å²	48.8	12%	0.117	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-44	176.1	-70.3	170.4	176.3	177.5	0	111.6	F70 A118 Y119 A125 R126 E156 L160	F70-K122 HydrophobicContact CE2-CB 3.85Å; F70-K122 HydrophobicContact CZ-CB 3.74Å; A118-K122 WeakPolarHBondContact O-CG 3.45Å; A118-K122 PolarHBondContact O-N 3.37Å; Y119-K122 HydrophobicContact CD1-CD 4.43Å; Y119-K122 PolarHBondContact O-N 3.17Å; K122-A125 WeakPolarHBondContact O-CB 3.47Å; K122-A125 PolarHBondContact O-N 3.16Å; K122-R126 WeakPolarHBondContact O-CG 3.17Å; K122-R126 PolarHBondContact O-N 3.12Å; K122-E156 WeakPolarHBondContact CE-OE2 3.34Å; K122-E156 IonicContact NZ-OE1 3.38Å; K122-E156 PolarHBondContact NZ-OE1 3.13Å; K122-E156 IonicContact NZ-OE2 3.6Å; K122-E156 PolarHBondContact NZ-OE2 3.06Å; K122-L160 HydrophobicContact CG-CD2 4.09Å
123	C	98.4	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-47.8	-179.2	-165.1	0	0	0	0	111.8	F70 Y95 M102 Y119 L120 A121 A125 R126 L127	F70-C123 HydrophobicContact CD2-CB 3.94Å; F70-C123 HydrophobicContact CE2-CB 4.23Å; Y95-C123 PolarHBondContact O-SG 2.94Å; M102-C123 HydrophobicContact CE-CB 3.81Å; Y119-C123 WeakPolarHBondContact O-CB 3.48Å; Y119-C123 PolarHBondContact O-N 2.89Å; L120-C123 PolarHBondContact O-N 3.42Å; A121-C123 VanDerWaalsContact C-N 3.35Å; A121-C123 PolarHBondContact O-N 2.86Å; C123-A125 VanDerWaalsContact C-N 3.29Å; C123-A125 PolarHBondContact O-N 3.05Å; C123-R126 WeakPolarHBondContact O-CB 3.26Å; C123-R126 PolarHBondContact O-N 3.27Å; C123-L127 WeakPolarHBondContact O-CG 3.44Å; C123-L127 PolarHBondContact O-N 3.42Å
124	Y	98.5	Very high	97.9	Very high	15 Å²	15	45.6 Å²	45.6	6%	0.059	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-37.7	174.2	-79	-59.9	0	0	0	112.7	L99 L120 A121 L127 G128 Q129 K132 Y136	L99-Y124 HydrophobicContact CD1-CD1 4.42Å; L99-Y124 HydrophobicContact CD1-CD2 4.25Å; L99-Y124 HydrophobicContact CD1-CE1 3.92Å; L99-Y124 HydrophobicContact CD1-CE2 3.68Å; L99-Y124 HydrophobicContact CD2-CD1 4.2Å; L99-Y124 HydrophobicContact CD2-CE1 3.57Å; L99-Y124 HydrophobicContact CG-CE1 4.4Å; L120-Y124 WeakPolarHBondContact O-CD2 3.28Å; L120-Y124 PolarHBondContact O-N 2.88Å; A121-Y124 PolarHBondContact O-N 3.34Å; Y124-L127 CarbonylContact O-C 3.19Å; Y124-L127 PolarHBondContact O-N 3.1Å; Y124-G128 PolarHBondContact O-N 2.94Å; Y124-Q129 HydrophobicContact CD1-CB 3.86Å; Y124-Q129 HydrophobicContact CD1-CG 4.35Å; Y124-Q129 VanDerWaalsContact CD1-OE1 3.31Å; Y124-Q129 VanDerWaalsContact CE1-OE1 3.26Å; Y124-Q129 PolarHBondContact O-N 3.33Å; Y124-K132 HydrophobicContact CD1-CB 3.53Å; Y124-K132 HydrophobicContact CD1-CG 4.21Å; Y124-K132 HydrophobicContact CD2-CB 3.75Å; Y124-K132 HydrophobicContact CE1-CB 3.76Å; Y124-K132 HydrophobicContact CE1-CD 4.36Å; Y124-K132 HydrophobicContact CE1-CG 3.97Å; Y124-K132 HydrophobicContact CE2-CB 3.99Å; Y124-K132 HydrophobicContact CE2-CD 4.33Å; Y124-K132 HydrophobicContact CG-CB 3.5Å; Y124-Y136 AromaticContact CD2-CD2 3.75Å; Y124-Y136 HydrophobicContact CD2-CD2 3.75Å; Y124-Y136 HydrophobicContact CD2-CE2 4.14Å; Y124-Y136 AromaticContact CE2-CD2 3.5Å; Y124-Y136 HydrophobicContact CE2-CD2 3.5Å; Y124-Y136 VanDerWaalsContact CE2-CD2 3.5Å; Y124-Y136 AromaticContact CE2-CE2 3.39Å; Y124-Y136 HydrophobicContact CE2-CE2 3.39Å
125	A	97.8	Very high	97.9	Very high	26 Å²	26	49.1 Å²	49.1	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-41.9	175.4	0	0	0	0	0	112	A121 K122 C123 L127 G128 A133 L160	A121-A125 WeakPolarHBondContact O-CB 3.31Å; A121-A125 PolarHBondContact O-N 3.23Å; K122-A125 WeakPolarHBondContact O-CB 3.47Å; K122-A125 PolarHBondContact O-N 3.16Å; C123-A125 VanDerWaalsContact C-N 3.29Å; C123-A125 PolarHBondContact O-N 3.05Å; A125-L127 VanDerWaalsContact C-N 3.25Å; A125-L127 PolarHBondContact O-N 3.06Å; A125-G128 PolarHBondContact O-N 3.07Å; A125-A133 HydrophobicContact CB-CB 3.97Å; A125-L160 HydrophobicContact CB-CD1 3.78Å; A125-L160 HydrophobicContact CB-CD2 4.19Å; A125-L160 HydrophobicContact CB-CG 4.3Å
126	R	97.2	Very high	97.9	Very high	114 Å²	114	46.6 Å²	46.6	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-31.7	174.2	-69.1	-68.7	-168.7	-87.4	-5.7	113.1	F70 D74 Y95 K122 C123 G128	F70-R126 HydrophobicContact CE2-CG 3.91Å; F70-R126 HydrophobicContact CZ-CG 4.24Å; D74-R126 IonicContact OD1-CZ 2.77Å; D74-R126 IonicContact OD1-NE 2.74Å; D74-R126 PolarHBondContact OD1-NE 3.2Å; D74-R126 VanDerWaalsContact OD1-NE 3.07Å; D74-R126 IonicContact OD1-NH2 3.73Å; D74-R126 IonicContact OD2-CZ 3.94Å; D74-R126 IonicContact OD2-NE 3.67Å; D74-R126 IonicContact OD2-NH2 3.46Å; D74-R126 PolarHBondContact OD2-NH2 2.92Å; Y95-R126 HydrophobicContact CD1-CB 4.05Å; Y95-R126 HydrophobicContact CD1-CG 4.3Å; Y95-R126 HydrophobicContact CD2-CB 3.75Å; Y95-R126 HydrophobicContact CE1-CB 3.87Å; Y95-R126 HydrophobicContact CE1-CG 3.73Å; Y95-R126 HydrophobicContact CE2-CB 3.53Å; Y95-R126 HydrophobicContact CE2-CG 4.07Å; Y95-R126 HydrophobicContact CG-CB 4.02Å; Y95-R126 WeakPolarHBondContact OH-CD 3.44Å; K122-R126 WeakPolarHBondContact O-CG 3.17Å; K122-R126 PolarHBondContact O-N 3.12Å; C123-R126 WeakPolarHBondContact O-CB 3.26Å; C123-R126 PolarHBondContact O-N 3.27Å; R126-G128 VanDerWaalsContact C-N 3.27Å
127	L	97.2	Very high	97.9	Very high	44 Å²	44	46.5 Å²	46.5	23%	0.23	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1.1	174.7	-68.9	170.9	0	0	0	113.5	Y95 E96 L99 C123 Y124 A125 Q129	Y95-L127 HydrophobicContact CD2-CD2 4.38Å; E96-L127 HydrophobicContact CG-CD2 4.47Å; E96-L127 VanDerWaalsContact OE1-CD2 3.23Å; E96-L127 WeakPolarHBondContact OE1-CD2 3.49Å; L99-L127 HydrophobicContact CD2-CD1 3.97Å; C123-L127 WeakPolarHBondContact O-CG 3.44Å; C123-L127 PolarHBondContact O-N 3.42Å; Y124-L127 CarbonylContact O-C 3.19Å; Y124-L127 PolarHBondContact O-N 3.1Å; A125-L127 VanDerWaalsContact C-N 3.25Å; A125-L127 PolarHBondContact O-N 3.06Å; L127-Q129 HydrophobicContact CB-CG 4.2Å; L127-Q129 PolarHBondContact O-N 3.48Å
128	G	96.1	Very high	97.9	Very high	55 Å²	55	50.2 Å²	50.2	57%	0.567	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	7.8	-177.5	0	0	0	0	0	114.7	Y124 A125 R126 K130	Y124-G128 PolarHBondContact O-N 2.94Å; A125-G128 PolarHBondContact O-N 3.07Å; R126-G128 VanDerWaalsContact C-N 3.27Å; G128-K130 VanDerWaalsContact C-N 3.3Å; G128-K130 PolarHBondContact O-N 3.45Å
129	Q	97.3	Very high	97.9	Very high	88 Å²	88	52.7 Å²	52.7	41%	0.411	26%	0.26	S	S	.	.			trans	-84.5	70.7	-179.3	-62.1	-175.8	37.8	0	0	110.6	Y124 L127 D131 K132 A133	Y124-Q129 HydrophobicContact CD1-CB 3.86Å; Y124-Q129 HydrophobicContact CD1-CG 4.35Å; Y124-Q129 VanDerWaalsContact CD1-OE1 3.31Å; Y124-Q129 VanDerWaalsContact CE1-OE1 3.26Å; Y124-Q129 PolarHBondContact O-N 3.33Å; L127-Q129 HydrophobicContact CB-CG 4.2Å; L127-Q129 PolarHBondContact O-N 3.48Å; Q129-D131 VanDerWaalsContact C-N 3.33Å; Q129-D131 PolarHBondContact O-N 3.38Å; Q129-K132 HydrophobicContact CB-CB 4.29Å; Q129-K132 PolarHBondContact O-N 2.9Å; Q129-A133 PolarHBondContact O-N 3Å
130	K	96.1	Very high	97.9	Very high	125 Å²	125	50.6 Å²	50.6	54%	0.543	25%	0.252	S	S	.	.	H	α-helix	trans	-55.8	-40.9	-171.3	-65.9	-168.2	176.2	-162.3	0	114	G128 A133 K134 S164	G128-K130 VanDerWaalsContact C-N 3.3Å; G128-K130 PolarHBondContact O-N 3.45Å; K130-A133 PolarHBondContact O-N 3.31Å; K130-K134 WeakPolarHBondContact O-CB 3.34Å; K130-K134 PolarHBondContact O-N 2.87Å; K130-S164 PolarHBondContact NZ-O 3.22Å
131	D	97.1	Very high	97.8	Very high	140 Å²	140	53.3 Å²	53.3	75%	0.749	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-43	-179	-66.9	-25.6	0	0	0	111.8	Q129 K134 E135	Q129-D131 VanDerWaalsContact C-N 3.33Å; Q129-D131 PolarHBondContact O-N 3.38Å; D131-K134 PolarHBondContact O-N 3.3Å; D131-E135 PolarHBondContact O-N 3.12Å
132	K	98.1	Very high	97.8	Very high	78 Å²	78	59.4 Å²	59.4	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-68.9	-38.7	175.8	-78.5	-75	172.6	-163.2	0	112.2	Y124 Q129 K134 E135 Y136	Y124-K132 HydrophobicContact CD1-CB 3.53Å; Y124-K132 HydrophobicContact CD1-CG 4.21Å; Y124-K132 HydrophobicContact CD2-CB 3.75Å; Y124-K132 HydrophobicContact CE1-CB 3.76Å; Y124-K132 HydrophobicContact CE1-CD 4.36Å; Y124-K132 HydrophobicContact CE1-CG 3.97Å; Y124-K132 HydrophobicContact CE2-CB 3.99Å; Y124-K132 HydrophobicContact CE2-CD 4.33Å; Y124-K132 HydrophobicContact CG-CB 3.5Å; Q129-K132 HydrophobicContact CB-CB 4.29Å; Q129-K132 PolarHBondContact O-N 2.9Å; K132-K134 VanDerWaalsContact C-N 3.28Å; K132-K134 PolarHBondContact O-N 3.09Å; K132-E135 WeakPolarHBondContact CD-OE2 3.36Å; K132-E135 WeakPolarHBondContact CE-OE2 3.48Å; K132-E135 IonicContact NZ-OE1 3.21Å; K132-E135 PolarHBondContact NZ-OE1 3.38Å; K132-E135 IonicContact NZ-OE2 2.88Å; K132-E135 PolarHBondContact NZ-OE2 3.02Å; K132-E135 WeakPolarHBondContact O-CB 3.36Å; K132-E135 PolarHBondContact O-N 3.41Å; K132-Y136 WeakPolarHBondContact O-CD2 3.5Å; K132-Y136 PolarHBondContact O-N 2.9Å
133	A	98.2	Very high	97.7	Very high	2 Å²	2	59.4 Å²	59.4	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-43.2	173.4	0	0	0	0	0	111.1	A121 A125 Q129 K130 G137	A121-A133 WeakPolarHBondContact O-CB 3.42Å; A125-A133 HydrophobicContact CB-CB 3.97Å; Q129-A133 PolarHBondContact O-N 3Å; K130-A133 PolarHBondContact O-N 3.31Å; A133-G137 PolarHBondContact O-N 2.85Å
134	K	97.9	Very high	97.6	Very high	123 Å²	123	64.4 Å²	64.4	54%	0.535	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-43	175.2	-173.1	179	177.9	-176.2	0	112.5	K130 D131 K132 G137 L138 L161	K130-K134 WeakPolarHBondContact O-CB 3.34Å; K130-K134 PolarHBondContact O-N 2.87Å; D131-K134 PolarHBondContact O-N 3.3Å; K132-K134 VanDerWaalsContact C-N 3.28Å; K132-K134 PolarHBondContact O-N 3.09Å; K134-G137 PolarHBondContact O-N 3.28Å; K134-L138 HydrophobicContact CG-CD1 4.22Å; K134-L138 HydrophobicContact CG-CG 4.45Å; K134-L138 WeakPolarHBondContact O-CG 3.37Å; K134-L138 PolarHBondContact O-N 2.66Å; K134-L161 HydrophobicContact CB-CD2 4.29Å; K134-L161 HydrophobicContact CG-CD2 4.5Å
135	E	98.1	Very high	97.3	Very high	79 Å²	79	65 Å²	65	37%	0.369	34%	0.338	S	S	.	.	H	α-helix	trans	-54.6	-54.7	176.7	-175.1	-168.9	137.3	0	0	111.3	D131 K132 L138 K139	D131-E135 PolarHBondContact O-N 3.12Å; K132-E135 WeakPolarHBondContact CD-OE2 3.36Å; K132-E135 WeakPolarHBondContact CE-OE2 3.48Å; K132-E135 IonicContact NZ-OE1 3.21Å; K132-E135 PolarHBondContact NZ-OE1 3.38Å; K132-E135 IonicContact NZ-OE2 2.88Å; K132-E135 PolarHBondContact NZ-OE2 3.02Å; K132-E135 WeakPolarHBondContact O-CB 3.36Å; K132-E135 PolarHBondContact O-N 3.41Å; E135-L138 PolarHBondContact O-N 2.9Å; E135-K139 PolarHBondContact O-N 3.34Å
136	Y	98.5	Very high	96.9	Very high	15 Å²	15	71.1 Å²	71.1	6%	0.059	36%	0.362	C	S	.	.	H	α-helix	trans	-69.4	-34.7	178.5	-81.1	-82.5	0	0	0	112.7	L103 E106 L117 L120 Y124 K132 L138 K139 V140	L103-Y136 VanDerWaalsContact CD2-OH 3.26Å; L103-Y136 WeakPolarHBondContact CD2-OH 3.35Å; E106-Y136 HydrophobicContact CG-CE1 4.44Å; L117-Y136 HydrophobicContact CD2-CD1 3.75Å; L117-Y136 HydrophobicContact CD2-CE1 3.9Å; L120-Y136 HydrophobicContact CB-CD1 3.7Å; L120-Y136 HydrophobicContact CB-CD2 4.35Å; L120-Y136 HydrophobicContact CB-CE1 4.11Å; L120-Y136 HydrophobicContact CB-CG 3.83Å; L120-Y136 HydrophobicContact CD1-CD1 3.74Å; L120-Y136 HydrophobicContact CD1-CE1 3.34Å; L120-Y136 HydrophobicContact CG-CD1 4.33Å; L120-Y136 HydrophobicContact CG-CE1 4.27Å; Y124-Y136 AromaticContact CD2-CD2 3.75Å; Y124-Y136 HydrophobicContact CD2-CD2 3.75Å; Y124-Y136 HydrophobicContact CD2-CE2 4.14Å; Y124-Y136 AromaticContact CE2-CD2 3.5Å; Y124-Y136 HydrophobicContact CE2-CD2 3.5Å; Y124-Y136 VanDerWaalsContact CE2-CD2 3.5Å; Y124-Y136 AromaticContact CE2-CE2 3.39Å; Y124-Y136 HydrophobicContact CE2-CE2 3.39Å; K132-Y136 WeakPolarHBondContact O-CD2 3.5Å; K132-Y136 PolarHBondContact O-N 2.9Å; Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.34Å; Y136-K139 HydrophobicContact CD1-CD 3.93Å; Y136-K139 HydrophobicContact CE1-CD 4.13Å; Y136-K139 WeakPolarHBondContact O-CB 3.48Å; Y136-K139 PolarHBondContact O-N 2.96Å; Y136-K139 VanDerWaalsContact O-N 3.12Å; Y136-V140 WeakPolarHBondContact O-CG2 3.38Å; Y136-V140 PolarHBondContact O-N 3.5Å; Y136-V140 VanDerWaalsContact O-N 3.09Å
137	G	98.3	Very high	96.8	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-60.3	-41.8	174.8	0	0	0	0	0	112.3	A133 K134 K139 V140 L141 V157	A133-G137 PolarHBondContact O-N 2.85Å; K134-G137 PolarHBondContact O-N 3.28Å; G137-K139 VanDerWaalsContact C-N 3.33Å; G137-K139 PolarHBondContact O-N 3.04Å; G137-V140 PolarHBondContact O-N 2.94Å; G137-L141 WeakPolarHBondContact O-CG 3.32Å; G137-L141 PolarHBondContact O-N 3.49Å; G137-V157 WeakPolarHBondContact O-CG1 3.5Å
138	L	98.1	Very high	96.7	Very high	78 Å²	78	71.8 Å²	71.8	41%	0.408	38%	0.375	S	S	.	.	H	α-helix	trans	-66.8	-32.7	174.8	-69.8	173.5	0	0	0	112.7	K134 E135 Y136 V140 L141 N142	K134-L138 HydrophobicContact CG-CD1 4.22Å; K134-L138 HydrophobicContact CG-CG 4.45Å; K134-L138 WeakPolarHBondContact O-CG 3.37Å; K134-L138 PolarHBondContact O-N 2.66Å; E135-L138 PolarHBondContact O-N 2.9Å; Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.34Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 3.2Å; L138-N142 WeakPolarHBondContact O-CB 3.32Å; L138-N142 PolarHBondContact O-N 3.13Å; L138-N142 PolarHBondContact O-ND2 3.12Å
139	K	98.4	Very high	96.6	Very high	54 Å²	54	73.7 Å²	73.7	24%	0.235	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-40.5	171.7	-67.5	179.9	176.5	-175.2	0	111.6	E106 M111 L117 E135 Y136 G137 Y143	E106-K139 IonicContact OE1-NZ 2.72Å; E106-K139 PolarHBondContact OE1-NZ 3.12Å; M111-K139 HydrophobicContact CE-CB 4.37Å; M111-K139 HydrophobicContact SD-CB 4.07Å; M111-K139 HydrophobicContact SD-CD 3.92Å; M111-K139 HydrophobicContact SD-CG 4.18Å; L117-K139 HydrophobicContact CD1-CB 4.24Å; L117-K139 HydrophobicContact CD2-CD 4.03Å; E135-K139 PolarHBondContact O-N 3.34Å; Y136-K139 HydrophobicContact CD1-CD 3.93Å; Y136-K139 HydrophobicContact CE1-CD 4.13Å; Y136-K139 WeakPolarHBondContact O-CB 3.48Å; Y136-K139 PolarHBondContact O-N 2.96Å; Y136-K139 VanDerWaalsContact O-N 3.12Å; G137-K139 VanDerWaalsContact C-N 3.33Å; G137-K139 PolarHBondContact O-N 3.04Å; K139-Y143 PolarHBondContact O-N 3.3Å; K139-Y143 VanDerWaalsContact O-N 3.12Å
140	V	98.4	Very high	96.6	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.3	-47.8	176.9	176.5	0	0	0	0	111.3	V114 L117 A118 Y136 G137 L138 N142 Y143 A153 K154 V157	V114-V140 HydrophobicContact CG2-CG1 3.98Å; L117-V140 HydrophobicContact CB-CG2 3.49Å; L117-V140 VanDerWaalsContact CB-CG2 3.49Å; A118-V140 HydrophobicContact CB-CG2 4.07Å; Y136-V140 WeakPolarHBondContact O-CG2 3.38Å; Y136-V140 PolarHBondContact O-N 3.5Å; Y136-V140 VanDerWaalsContact O-N 3.09Å; G137-V140 PolarHBondContact O-N 2.94Å; L138-V140 VanDerWaalsContact C-N 3.32Å; V140-N142 PolarHBondContact O-N 3.32Å; V140-Y143 WeakPolarHBondContact O-CB 3.43Å; V140-Y143 PolarHBondContact O-N 2.97Å; V140-A153 HydrophobicContact CG1-CB 4.06Å; V140-A153 WeakPolarHBondContact CG1-O 3.38Å; V140-K154 HydrophobicContact CG1-CG 4.18Å; V140-K154 WeakPolarHBondContact O-CE 3.18Å; V140-K154 WeakPolarHBondContact O-CG 3.18Å; V140-V157 HydrophobicContact CB-CB 4.42Å; V140-V157 HydrophobicContact CB-CG1 4.36Å; V140-V157 HydrophobicContact CB-CG2 4.04Å; V140-V157 HydrophobicContact CG1-CB 4.2Å; V140-V157 HydrophobicContact CG1-CG2 3.88Å; V140-V157 HydrophobicContact CG2-CG2 4.12Å
141	L	97.6	Very high	96.7	Very high	56 Å²	56	67.3 Å²	67.3	29%	0.293	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-34.6	179.7	-67.8	178.6	0	0	0	112.5	G137 L138 K154 V157 K158 L161	G137-L141 WeakPolarHBondContact O-CG 3.32Å; G137-L141 PolarHBondContact O-N 3.49Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 3.2Å; L141-K154 HydrophobicContact CD2-CB 4.36Å; L141-K154 WeakPolarHBondContact CD2-O 3.46Å; L141-V157 HydrophobicContact CD2-CG1 4.46Å; L141-V157 HydrophobicContact CG-CG1 4.18Å; L141-K158 HydrophobicContact CD2-CB 4.46Å; L141-K158 HydrophobicContact CD2-CG 4.39Å; L141-L161 HydrophobicContact CD1-CD1 4.01Å
142	N	97.5	Very high	96.7	Very high	128 Å²	128	66.3 Å²	66.3	68%	0.684	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	10.1	177	-63.5	-51.8	0	0	0	113.7	L138 V140	L138-N142 WeakPolarHBondContact O-CB 3.32Å; L138-N142 PolarHBondContact O-N 3.13Å; L138-N142 PolarHBondContact O-ND2 3.12Å; V140-N142 PolarHBondContact O-N 3.32Å
143	Y	97.7	Very high	96.7	Very high	27 Å²	27	62.8 Å²	62.8	11%	0.106	32%	0.32	C	S	.	.			trans	-65.3	129.1	-178.4	-161.3	-93.8	0	0	0	110.5	M111 R112 V114 L117 K139 V140 A145 K154	M111-Y143 HydrophobicContact CE-CD2 3.91Å; M111-Y143 HydrophobicContact CE-CE2 4.33Å; M111-Y143 VanDerWaalsContact O-CE2 3.23Å; M111-Y143 WeakPolarHBondContact O-CE2 3.19Å; M111-Y143 PolarHBondContact O-OH 3.38Å; R112-Y143 PolarHBondContact O-OH 3.43Å; R112-Y143 VanDerWaalsContact O-OH 3.14Å; V114-Y143 HydrophobicContact CB-CD1 3.72Å; V114-Y143 HydrophobicContact CB-CD2 3.93Å; V114-Y143 HydrophobicContact CB-CE1 3.74Å; V114-Y143 HydrophobicContact CB-CE2 3.94Å; V114-Y143 HydrophobicContact CB-CG 3.81Å; V114-Y143 HydrophobicContact CG1-CD1 4.5Å; V114-Y143 HydrophobicContact CG1-CE1 4.34Å; V114-Y143 HydrophobicContact CG2-CD1 3.92Å; V114-Y143 HydrophobicContact CG2-CD2 4.08Å; V114-Y143 HydrophobicContact CG2-CE1 4.45Å; V114-Y143 HydrophobicContact CG2-CG 3.7Å; L117-Y143 HydrophobicContact CD1-CD2 3.79Å; L117-Y143 HydrophobicContact CD1-CE2 3.9Å; K139-Y143 PolarHBondContact O-N 3.3Å; K139-Y143 VanDerWaalsContact O-N 3.12Å; V140-Y143 WeakPolarHBondContact O-CB 3.43Å; V140-Y143 PolarHBondContact O-N 2.97Å; Y143-A145 VanDerWaalsContact C-N 3.26Å; Y143-A145 HydrophobicContact CD1-CB 3.74Å; Y143-A145 HydrophobicContact CE1-CB 3.62Å; Y143-A145 PolarHBondContact O-N 3.46Å; Y143-K154 WeakPolarHBondContact O-CE 3.45Å; Y143-K154 PolarHBondContact O-NZ 3.3Å
144	P	95.1	Very high	96.7	Very high	105 Å²	105	64.1 Å²	64.1	68%	0.682	33%	0.325	S	S	*	.			trans	-74.2	-12.3	-166.2	28.2	-36.4	0	0	0	114.6
145	A	92.3	Very high	96.6	Very high	27 Å²	27	63 Å²	63	22%	0.223	32%	0.322	C	S	.	.			trans	-84.9	148.8	-177.9	0	0	0	0	0	112.5	Y143 A150 K154	Y143-A145 VanDerWaalsContact C-N 3.26Å; Y143-A145 HydrophobicContact CD1-CB 3.74Å; Y143-A145 HydrophobicContact CE1-CB 3.62Å; Y143-A145 PolarHBondContact O-N 3.46Å; A145-A150 HydrophobicContact CB-CB 4.48Å; A145-K154 PolarHBondContact O-NZ 3.48Å; A145-K154 VanDerWaalsContact O-NZ 3.09Å
146	H	90.4	Very high	96.6	Very high	155 Å²	155	63.2 Å²	63.2	72%	0.718	32%	0.323	S	S	*	.			trans	-128	84.2	177.5	-63.9	-72.4	0	0	0	108.8
147	H	94.2	Very high	96.5	Very high	79 Å²	79	62.5 Å²	62.5	37%	0.366	32%	0.32	S	S	.	.	S	Bend	trans	-142.6	165.3	172.9	57.6	85.3	0	0	0	107.6	E149 A150 D151	H147-E149 VanDerWaalsContact C-N 3.29Å; H147-E149 IonicContact CE1-OE2 3.32Å; H147-E149 IonicContact CG-OE2 3.28Å; H147-E149 IonicContact ND1-OE2 2.79Å; H147-E149 PolarHBondContact ND1-OE2 2.74Å; H147-E149 PolarHBondContact O-N 2.91Å; H147-A150 PolarHBondContact CE1-N 3.28Å; H147-A150 PolarHBondContact ND1-N 3.32Å; H147-A150 WeakPolarHBondContact O-CA 3.24Å; H147-A150 WeakPolarHBondContact O-CB 3.48Å; H147-A150 PolarHBondContact O-N 3.46Å; H147-D151 PolarHBondContact O-N 3.02Å
148	V	96.1	Very high	96.5	Very high	93 Å²	93	67.6 Å²	67.6	56%	0.564	34%	0.342	S	S	*	.	H	α-helix	trans	-49.9	-49.3	-170.6	177.7	0	0	0	0	111.9	A150 D151 E152	V148-A150 VanDerWaalsContact C-N 3.31Å; V148-A150 PolarHBondContact O-N 2.77Å; V148-D151 PolarHBondContact O-N 3.48Å; V148-E152 HydrophobicContact CG1-CG 4.35Å; V148-E152 WeakPolarHBondContact O-CB 3.47Å; V148-E152 WeakPolarHBondContact O-CG 3.4Å; V148-E152 PolarHBondContact O-N 3.41Å
149	E	93.3	Very high	96.4	Very high	96 Å²	96	69.2 Å²	69.2	45%	0.449	35%	0.348	S	S	.	.	H	α-helix	trans	-67.4	-30.3	-178.1	-55.6	84.1	169.1	0	0	113	I115 H147 A153	I115-E149 HydrophobicContact CD1-CB 4.13Å; I115-E149 HydrophobicContact CD1-CG 4.39Å; I115-E149 HydrophobicContact CG1-CB 4.4Å; H147-E149 VanDerWaalsContact C-N 3.29Å; H147-E149 IonicContact CE1-OE2 3.32Å; H147-E149 IonicContact CG-OE2 3.28Å; H147-E149 IonicContact ND1-OE2 2.79Å; H147-E149 PolarHBondContact ND1-OE2 2.74Å; H147-E149 PolarHBondContact O-N 2.91Å; E149-A153 WeakPolarHBondContact O-CB 3.37Å; E149-A153 PolarHBondContact O-N 2.97Å; E149-A153 VanDerWaalsContact O-N 3.09Å
150	A	97.1	Very high	96.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-73.5	-38.5	175	0	0	0	0	0	111.3	V114 A145 H147 V148 K154	V114-A150 HydrophobicContact CG1-CB 4.04Å; V114-A150 HydrophobicContact CG2-CB 4.43Å; A145-A150 HydrophobicContact CB-CB 4.48Å; H147-A150 PolarHBondContact CE1-N 3.28Å; H147-A150 PolarHBondContact ND1-N 3.32Å; H147-A150 WeakPolarHBondContact O-CA 3.24Å; H147-A150 WeakPolarHBondContact O-CB 3.48Å; H147-A150 PolarHBondContact O-N 3.46Å; V148-A150 VanDerWaalsContact C-N 3.31Å; V148-A150 PolarHBondContact O-N 2.77Å; A150-K154 WeakPolarHBondContact O-CB 3.39Å; A150-K154 WeakPolarHBondContact O-CD 3.42Å; A150-K154 WeakPolarHBondContact O-CG 3.41Å; A150-K154 PolarHBondContact O-N 2.79Å
151	D	97.5	Very high	96	Very high	79 Å²	79	69.5 Å²	69.5	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-42.2	179.3	-65.5	-25.8	0	0	0	111	H147 V148 K154 E155	H147-D151 PolarHBondContact O-N 3.02Å; V148-D151 PolarHBondContact O-N 3.48Å; D151-K154 PolarHBondContact O-N 2.96Å; D151-E155 PolarHBondContact O-N 2.87Å
152	E	97.1	Very high	95.7	Very high	118 Å²	118	72.6 Å²	72.6	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-60.1	-48.9	172.3	-72.6	175.9	172	0	0	111.4	V148 K154 E155 E156	V148-E152 HydrophobicContact CG1-CG 4.35Å; V148-E152 WeakPolarHBondContact O-CB 3.47Å; V148-E152 WeakPolarHBondContact O-CG 3.4Å; V148-E152 PolarHBondContact O-N 3.41Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 3.28Å; E152-E155 PolarHBondContact O-N 3.24Å; E152-E155 VanDerWaalsContact O-N 3.14Å; E152-E156 WeakPolarHBondContact O-CG 3.45Å; E152-E156 PolarHBondContact O-N 2.95Å
153	A	98	Very high	95.1	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.033	37%	0.365	C	S	.	.	H	α-helix	trans	-59.6	-38.5	177.8	0	0	0	0	0	112.5	V114 A118 V140 E149 V157	V114-A153 HydrophobicContact CG2-CB 3.92Å; A118-A153 HydrophobicContact CB-CB 4.01Å; V140-A153 HydrophobicContact CG1-CB 4.06Å; V140-A153 WeakPolarHBondContact CG1-O 3.38Å; E149-A153 WeakPolarHBondContact O-CB 3.37Å; E149-A153 PolarHBondContact O-N 2.97Å; E149-A153 VanDerWaalsContact O-N 3.09Å; A153-V157 WeakPolarHBondContact O-CB 3.47Å; A153-V157 WeakPolarHBondContact O-CG2 3.23Å; A153-V157 PolarHBondContact O-N 3.03Å; A153-V157 VanDerWaalsContact O-N 3.13Å
154	K	98.1	Very high	93.7	Very high	31 Å²	31	72.3 Å²	72.3	14%	0.135	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-43.8	175.7	-77.7	167.9	179.5	168.6	0	111.5	V140 L141 Y143 A145 A150 D151 E152 K158	V140-K154 HydrophobicContact CG1-CG 4.18Å; V140-K154 WeakPolarHBondContact O-CE 3.18Å; V140-K154 WeakPolarHBondContact O-CG 3.18Å; L141-K154 HydrophobicContact CD2-CB 4.36Å; L141-K154 WeakPolarHBondContact CD2-O 3.46Å; Y143-K154 WeakPolarHBondContact O-CE 3.45Å; Y143-K154 PolarHBondContact O-NZ 3.3Å; A145-K154 PolarHBondContact O-NZ 3.48Å; A145-K154 VanDerWaalsContact O-NZ 3.09Å; A150-K154 WeakPolarHBondContact O-CB 3.39Å; A150-K154 WeakPolarHBondContact O-CD 3.42Å; A150-K154 WeakPolarHBondContact O-CG 3.41Å; A150-K154 PolarHBondContact O-N 2.79Å; D151-K154 PolarHBondContact O-N 2.96Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 3.28Å; K154-K158 WeakPolarHBondContact O-CB 3.49Å; K154-K158 PolarHBondContact O-N 3.28Å
155	E	97.1	Very high	91.7	Very high	100 Å²	100	78.5 Å²	78.5	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-48.9	180	-168.8	58.5	-160.3	0	0	111.6	D151 E152 V157 K158 E159	D151-E155 PolarHBondContact O-N 2.87Å; E152-E155 PolarHBondContact O-N 3.24Å; E152-E155 VanDerWaalsContact O-N 3.14Å; E155-V157 VanDerWaalsContact C-N 3.28Å; E155-V157 PolarHBondContact O-N 2.83Å; E155-K158 WeakPolarHBondContact O-CA 3.44Å; E155-K158 VanDerWaalsContact O-CB 3.25Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.43Å; E155-E159 PolarHBondContact O-N 3.28Å
156	E	96.7	Very high	91.6	Very high	83 Å²	83	81.1 Å²	81.1	39%	0.388	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-41.9	177.8	-68.4	-177.5	128.6	0	0	112.5	K122 E152 K158 L160	K122-E156 WeakPolarHBondContact CE-OE2 3.34Å; K122-E156 IonicContact NZ-OE1 3.38Å; K122-E156 PolarHBondContact NZ-OE1 3.13Å; K122-E156 IonicContact NZ-OE2 3.6Å; K122-E156 PolarHBondContact NZ-OE2 3.06Å; E152-E156 WeakPolarHBondContact O-CG 3.45Å; E152-E156 PolarHBondContact O-N 2.95Å; E156-K158 VanDerWaalsContact C-N 3.35Å; E156-L160 WeakPolarHBondContact O-CB 3.48Å; E156-L160 PolarHBondContact O-N 3.48Å
157	V	97.9	Very high	91.7	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-69.5	-35.1	177.7	163.9	0	0	0	0	111.4	A118 A121 G137 V140 L141 A153 E155 E159 L160 L161	A118-V157 HydrophobicContact CB-CG2 3.98Å; A121-V157 HydrophobicContact CB-CG2 4.42Å; G137-V157 WeakPolarHBondContact O-CG1 3.5Å; V140-V157 HydrophobicContact CB-CB 4.42Å; V140-V157 HydrophobicContact CB-CG1 4.36Å; V140-V157 HydrophobicContact CB-CG2 4.04Å; V140-V157 HydrophobicContact CG1-CB 4.2Å; V140-V157 HydrophobicContact CG1-CG2 3.88Å; V140-V157 HydrophobicContact CG2-CG2 4.12Å; L141-V157 HydrophobicContact CD2-CG1 4.46Å; L141-V157 HydrophobicContact CG-CG1 4.18Å; A153-V157 WeakPolarHBondContact O-CB 3.47Å; A153-V157 WeakPolarHBondContact O-CG2 3.23Å; A153-V157 PolarHBondContact O-N 3.03Å; A153-V157 VanDerWaalsContact O-N 3.13Å; E155-V157 VanDerWaalsContact C-N 3.28Å; E155-V157 PolarHBondContact O-N 2.83Å; V157-E159 VanDerWaalsContact C-N 3.35Å; V157-L160 WeakPolarHBondContact O-CB 3.09Å; V157-L160 PolarHBondContact O-N 2.98Å; V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 HydrophobicContact CG1-CG 4.25Å; V157-L161 VanDerWaalsContact O-CG 3.3Å; V157-L161 WeakPolarHBondContact O-CG 3.39Å; V157-L161 PolarHBondContact O-N 3.45Å
158	K	97	Very high	91.6	Very high	106 Å²	106	77.1 Å²	77.1	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-46.5	177	-141.3	175.7	-177	-179	0	110.7	L141 K154 E155 E156 L161 Q162	L141-K158 HydrophobicContact CD2-CB 4.46Å; L141-K158 HydrophobicContact CD2-CG 4.39Å; K154-K158 WeakPolarHBondContact O-CB 3.49Å; K154-K158 PolarHBondContact O-N 3.28Å; E155-K158 WeakPolarHBondContact O-CA 3.44Å; E155-K158 VanDerWaalsContact O-CB 3.25Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.43Å; E156-K158 VanDerWaalsContact C-N 3.35Å; K158-L161 PolarHBondContact O-N 3.12Å; K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.26Å; K158-Q162 PolarHBondContact O-N 2.92Å; K158-Q162 VanDerWaalsContact O-N 3.12Å
159	E	96	Very high	91.3	Very high	112 Å²	112	76.2 Å²	76.2	52%	0.523	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-44.2	175	-65.7	-177.8	165.1	0	0	111.7	E155 V157 L161 Q162 T163	E155-E159 PolarHBondContact O-N 3.28Å; V157-E159 VanDerWaalsContact C-N 3.35Å; E159-L161 VanDerWaalsContact C-N 3.33Å; E159-L161 PolarHBondContact O-N 3.22Å; E159-Q162 PolarHBondContact O-N 3.25Å; E159-T163 WeakPolarHBondContact O-CG2 3.16Å; E159-T163 PolarHBondContact O-N 3.05Å; E159-T163 PolarHBondContact O-OG1 2.89Å
160	L	95.6	Very high	91.2	Very high	22 Å²	22	74.9 Å²	74.9	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-57.5	-43.8	176.7	-178.7	68.8	0	0	0	112.4	A121 K122 A125 E156 V157 Q162 T163 S164	A121-L160 HydrophobicContact CB-CD2 4.17Å; K122-L160 HydrophobicContact CG-CD2 4.09Å; A125-L160 HydrophobicContact CB-CD1 3.78Å; A125-L160 HydrophobicContact CB-CD2 4.19Å; A125-L160 HydrophobicContact CB-CG 4.3Å; E156-L160 WeakPolarHBondContact O-CB 3.48Å; E156-L160 PolarHBondContact O-N 3.48Å; V157-L160 WeakPolarHBondContact O-CB 3.09Å; V157-L160 PolarHBondContact O-N 2.98Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; L160-T163 PolarHBondContact O-OG1 3.14Å; L160-T163 VanDerWaalsContact O-OG1 3.04Å; L160-S164 WeakPolarHBondContact O-CB 3.23Å; L160-S164 PolarHBondContact O-N 3.03Å; L160-S164 PolarHBondContact O-OG 3.09Å
161	L	93.6	Very high	90.8	Very high	38 Å²	38	79.9 Å²	79.9	20%	0.199	39%	0.389	C	S	.	.	H	α-helix	trans	-74.9	-24	-178.9	-65.6	-179.2	0	0	0	113.1	K134 L141 V157 K158 E159	K134-L161 HydrophobicContact CB-CD2 4.29Å; K134-L161 HydrophobicContact CG-CD2 4.5Å; L141-L161 HydrophobicContact CD1-CD1 4.01Å; V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 HydrophobicContact CG1-CG 4.25Å; V157-L161 VanDerWaalsContact O-CG 3.3Å; V157-L161 WeakPolarHBondContact O-CG 3.39Å; V157-L161 PolarHBondContact O-N 3.45Å; K158-L161 PolarHBondContact O-N 3.12Å; E159-L161 VanDerWaalsContact C-N 3.33Å; E159-L161 PolarHBondContact O-N 3.22Å
162	Q	91	Very high	90.3	Very high	121 Å²	121	80 Å²	80	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-75.1	-40.9	174	-72.6	174.1	10.7	0	0	111.9	K158 E159 L160 S164	K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.26Å; K158-Q162 PolarHBondContact O-N 2.92Å; K158-Q162 VanDerWaalsContact O-N 3.12Å; E159-Q162 PolarHBondContact O-N 3.25Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; Q162-S164 VanDerWaalsContact C-N 3.27Å; Q162-S164 PolarHBondContact O-N 2.87Å
163	T	84.3	Confident	89.8	Confident	113 Å²	113	77.1 Å²	77.1	69%	0.693	37%	0.374	S	S	*	.	H	α-helix	trans	-75	-13.7	180	52.3	0	0	0	0	113.9	E159 L160	E159-T163 WeakPolarHBondContact O-CG2 3.16Å; E159-T163 PolarHBondContact O-N 3.05Å; E159-T163 PolarHBondContact O-OG1 2.89Å; L160-T163 PolarHBondContact O-OG1 3.14Å; L160-T163 VanDerWaalsContact O-OG1 3.04Å
164	S	68.3	Low	89.1	Confident	37 Å²	37	83.2 Å²	83.2	26%	0.259	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.6	-179.7	-62.8	0	0	0	0	114.8	K130 L160 Q162	K130-S164 PolarHBondContact NZ-O 3.22Å; L160-S164 WeakPolarHBondContact O-CB 3.23Å; L160-S164 PolarHBondContact O-N 3.03Å; L160-S164 PolarHBondContact O-OG 3.09Å; Q162-S164 VanDerWaalsContact C-N 3.27Å; Q162-S164 PolarHBondContact O-N 2.87Å
165	K	53.4	Low	88.3	Confident	235 Å²	235	87.9 Å²	87.9	100%	1.022	43%	0.427	S	S	*	.			trans	-69.7	0	175.3	-71.7	-176.6	178	179.1	0	110.8

Retrieved 165 of 165 residues in 46.8 ms (Link to these results)

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