A0A5K4F8H5_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F8H5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 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	32.7	Very low	36.7	Very low	129 Å²	129	86.7 Å²	86.7	64%	0.635	46%	0.463	S	S	*	.				0	133.5	0	179.5	177.5	165.2	0	0	107.6	I3 L5 L6	M1-I3 PolarHBondContact O-N 3.09Å; M1-L5 HydrophobicContact CE-CB 3.63Å; M1-L5 HydrophobicContact CG-CD1 4.35Å; M1-L6 HydrophobicContact CE-CD1 4.37Å; M1-L6 HydrophobicContact CE-CD2 4.45Å; M1-L6 HydrophobicContact CE-CG 3.87Å
2	D	27.6	Very low	37.5	Very low	124 Å²	124	91.7 Å²	91.7	66%	0.663	48%	0.478	S	S	*	.			trans	-67	125.9	177.2	-93	-39.4	0	0	0	110.6	A4 L5	D2-A4 HydrophobicContact CB-CB 4.41Å; D2-A4 PolarHBondContact O-N 2.75Å; D2-L5 HydrophobicContact CB-CD1 4.48Å; D2-L5 WeakPolarHBondContact O-CB 3.27Å; D2-L5 PolarHBondContact O-N 2.92Å
3	I	32.9	Very low	37.8	Very low	73 Å²	73	86.8 Å²	86.8	37%	0.374	45%	0.451	S	S	.	.	H	α-helix	trans	-53.8	-26.6	175.2	-66.2	168.2	0	0	0	111.2	M1 L5 L6 Q7 F230	M1-I3 PolarHBondContact O-N 3.09Å; I3-L5 PolarHBondContact O-N 3.1Å; I3-L6 PolarHBondContact O-N 3.41Å; I3-L6 VanDerWaalsContact O-N 3.13Å; I3-Q7 PolarHBondContact O-N 3.33Å; I3-F230 HydrophobicContact CD1-CD1 4.01Å; I3-F230 HydrophobicContact CD1-CD2 4.11Å; I3-F230 HydrophobicContact CD1-CE1 3.75Å; I3-F230 HydrophobicContact CD1-CE2 3.88Å; I3-F230 HydrophobicContact CD1-CG 4.21Å; I3-F230 HydrophobicContact CD1-CZ 3.7Å; I3-F230 HydrophobicContact CG1-CE2 4.49Å; I3-F230 HydrophobicContact CG1-CZ 4.41Å
4	A	34.4	Very low	37.9	Very low	74 Å²	74	84.3 Å²	84.3	61%	0.612	44%	0.441	S	S	*	.	H	α-helix	trans	-61.6	-21.3	174.1	0	0	0	0	0	114.3	D2 P8	D2-A4 HydrophobicContact CB-CB 4.41Å; D2-A4 PolarHBondContact O-N 2.75Å; A4-P8 WeakPolarHBondContact O-CD 3.38Å; A4-P8 VanDerWaalsContact O-CG 3.29Å; A4-P8 WeakPolarHBondContact O-CG 3.4Å
5	L	36.8	Very low	38.4	Very low	106 Å²	106	83.5 Å²	83.5	56%	0.555	44%	0.437	S	S	*	.	H	α-helix	trans	-81.3	-27	174.8	-78.9	156.6	0	0	0	112.6	M1 D2 I3 V9	M1-L5 HydrophobicContact CE-CB 3.63Å; M1-L5 HydrophobicContact CG-CD1 4.35Å; D2-L5 HydrophobicContact CB-CD1 4.48Å; D2-L5 WeakPolarHBondContact O-CB 3.27Å; D2-L5 PolarHBondContact O-N 2.92Å; I3-L5 PolarHBondContact O-N 3.1Å; L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å
6	L	35.5	Very low	38.8	Very low	34 Å²	34	85.2 Å²	85.2	18%	0.178	44%	0.44	C	S	.	.	H	α-helix	trans	-79.4	-35.9	-178.4	-83.7	155.6	0	0	0	112.5	M1 I3 V9 H10 M55 M226	M1-L6 HydrophobicContact CE-CD1 4.37Å; M1-L6 HydrophobicContact CE-CD2 4.45Å; M1-L6 HydrophobicContact CE-CG 3.87Å; I3-L6 PolarHBondContact O-N 3.41Å; I3-L6 VanDerWaalsContact O-N 3.13Å; L6-V9 PolarHBondContact O-N 3.2Å; L6-H10 VanDerWaalsContact O-CB 3.29Å; L6-H10 WeakPolarHBondContact O-CB 3.41Å; L6-H10 PolarHBondContact O-N 2.89Å; L6-M55 HydrophobicContact CD2-CG 4.24Å; L6-M55 HydrophobicContact CD2-SD 4.21Å; L6-M226 HydrophobicContact CB-CE 4.43Å; L6-M226 HydrophobicContact CD1-SD 4.19Å
7	Q	38.9	Very low	38.7	Very low	106 Å²	106	83.8 Å²	83.8	50%	0.495	43%	0.433	S	S	.	.	H	α-helix	trans	-62.5	-44	-178.2	-69.2	-68.8	-43.1	0	0	113.7	I3 H10 K11	I3-Q7 PolarHBondContact O-N 3.33Å; Q7-H10 PolarHBondContact O-N 3.48Å; Q7-K11 WeakPolarHBondContact O-CB 3.42Å; Q7-K11 PolarHBondContact O-N 3.13Å
8	P	40.6	Very low	38.8	Very low	69 Å²	69	83.9 Å²	83.9	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-67.4	-37.2	175.8	-20.4	32.7	0	0	0	112.6	A4 K12	A4-P8 WeakPolarHBondContact O-CD 3.38Å; A4-P8 VanDerWaalsContact O-CG 3.29Å; A4-P8 WeakPolarHBondContact O-CG 3.4Å; P8-K12 VanDerWaalsContact O-CB 3.23Å; P8-K12 WeakPolarHBondContact O-CB 3.43Å; P8-K12 WeakPolarHBondContact O-CG 3.49Å; P8-K12 PolarHBondContact O-N 3.26Å
9	V	41.9	Very low	39	Very low	46 Å²	46	83.5 Å²	83.5	28%	0.279	43%	0.433	S	S	.	.	H	α-helix	trans	-66.5	-44.7	176.5	176.7	0	0	0	0	109.9	L5 L6 F13	L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L6-V9 PolarHBondContact O-N 3.2Å; V9-F13 WeakPolarHBondContact O-CB 3.49Å; V9-F13 PolarHBondContact O-N 2.93Å
10	H	38.6	Very low	39	Very low	61 Å²	61	85.1 Å²	85.1	28%	0.282	44%	0.436	S	S	.	.	H	α-helix	trans	-60.2	-50.2	173.9	178.5	-85.1	0	0	0	111.4	L6 Q7 F13 T14	L6-H10 VanDerWaalsContact O-CB 3.29Å; L6-H10 WeakPolarHBondContact O-CB 3.41Å; L6-H10 PolarHBondContact O-N 2.89Å; Q7-H10 PolarHBondContact O-N 3.48Å; H10-F13 WeakPolarHBondContact O-CB 3.5Å; H10-F13 PolarHBondContact O-N 2.85Å; H10-T14 PolarHBondContact CE1-OG1 3.43Å; H10-T14 PolarHBondContact O-N 3.47Å; H10-T14 PolarHBondContact O-OG1 2.91Å
11	K	43.7	Very low	38.7	Very low	132 Å²	132	85.3 Å²	85.3	57%	0.574	44%	0.436	S	S	*	.	H	α-helix	trans	-63	-46.9	179.1	-174.8	175	179.4	-177.8	0	111.8	Q7 F13 T14 D15	Q7-K11 WeakPolarHBondContact O-CB 3.42Å; Q7-K11 PolarHBondContact O-N 3.13Å; K11-F13 PolarHBondContact O-N 3.44Å; K11-T14 PolarHBondContact O-N 2.85Å; K11-D15 WeakPolarHBondContact CE-OD2 3.42Å; K11-D15 WeakPolarHBondContact CG-OD2 3.24Å; K11-D15 VanDerWaalsContact O-CB 3.25Å; K11-D15 WeakPolarHBondContact O-CB 3.21Å; K11-D15 PolarHBondContact O-N 3.38Å
12	K	46.6	Very low	39.1	Very low	146 Å²	146	86.2 Å²	86.2	64%	0.635	44%	0.436	S	S	*	.	H	α-helix	trans	-57.9	-38.6	173.6	-81.3	-175.4	175.7	-174.7	0	111.7	P8 K16	P8-K12 VanDerWaalsContact O-CB 3.23Å; P8-K12 WeakPolarHBondContact O-CB 3.43Å; P8-K12 WeakPolarHBondContact O-CG 3.49Å; P8-K12 PolarHBondContact O-N 3.26Å; K12-K16 WeakPolarHBondContact O-CB 3.27Å; K12-K16 PolarHBondContact O-N 3.48Å
13	F	40.8	Very low	39.6	Very low	29 Å²	29	86.1 Å²	86.1	13%	0.127	43%	0.432	C	S	.	.	H	α-helix	trans	-68.4	-51.2	177.2	178.4	-98.3	0	0	0	111.6	V9 H10 K11 K16 I17 W45 F52 V219	V9-F13 WeakPolarHBondContact O-CB 3.49Å; V9-F13 PolarHBondContact O-N 2.93Å; H10-F13 WeakPolarHBondContact O-CB 3.5Å; H10-F13 PolarHBondContact O-N 2.85Å; K11-F13 PolarHBondContact O-N 3.44Å; F13-K16 PolarHBondContact O-N 2.89Å; F13-I17 HydrophobicContact CD1-CG1 4.17Å; F13-I17 HydrophobicContact CD2-CG1 4.16Å; F13-I17 HydrophobicContact CE1-CD1 3.87Å; F13-I17 HydrophobicContact CE1-CG1 3.81Å; F13-I17 HydrophobicContact CE2-CD1 3.69Å; F13-I17 HydrophobicContact CE2-CG1 3.8Å; F13-I17 HydrophobicContact CG-CG1 4.35Å; F13-I17 HydrophobicContact CZ-CD1 3.32Å; F13-I17 HydrophobicContact CZ-CG1 3.64Å; F13-I17 WeakPolarHBondContact O-CB 3.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.36Å; F13-I17 PolarHBondContact O-N 2.93Å; F13-W45 AromaticContact CD2-CH2 3.32Å; F13-W45 HydrophobicContact CD2-CH2 3.32Å; F13-W45 AromaticContact CD2-CZ2 3.69Å; F13-W45 HydrophobicContact CD2-CZ2 3.69Å; F13-W45 HydrophobicContact CD2-CZ3 4.27Å; F13-W45 AromaticContact CE2-CH2 3.16Å; F13-W45 HydrophobicContact CE2-CH2 3.16Å; F13-W45 AromaticContact CE2-CZ2 3.87Å; F13-W45 HydrophobicContact CE2-CZ2 3.87Å; F13-W45 AromaticContact CE2-CZ3 3.65Å; F13-W45 HydrophobicContact CE2-CZ3 3.65Å; F13-W45 HydrophobicContact CZ-CH2 4.46Å; F13-F52 HydrophobicContact CE2-CD2 4.41Å; F13-V219 HydrophobicContact CD1-CG2 4.2Å; F13-V219 HydrophobicContact CE1-CG2 3.73Å; F13-V219 HydrophobicContact CZ-CG2 4.48Å
14	T	39.4	Very low	39.5	Very low	51 Å²	51	84.5 Å²	84.5	31%	0.313	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-49.1	177.9	-52.9	0	0	0	0	111.2	H10 K11 K16 I17 E18	H10-T14 PolarHBondContact CE1-OG1 3.43Å; H10-T14 PolarHBondContact O-N 3.47Å; H10-T14 PolarHBondContact O-OG1 2.91Å; K11-T14 PolarHBondContact O-N 2.85Å; T14-K16 VanDerWaalsContact C-N 3.29Å; T14-K16 PolarHBondContact O-N 3.42Å; T14-I17 PolarHBondContact O-N 3.3Å; T14-E18 VanDerWaalsContact O-CB 3.24Å; T14-E18 WeakPolarHBondContact O-CB 3.29Å; T14-E18 PolarHBondContact O-N 3.27Å
15	D	45.9	Very low	39.4	Very low	73 Å²	73	84.6 Å²	84.6	39%	0.39	42%	0.42	S	S	.	.	H	α-helix	trans	-61.3	-39.1	179.4	-66	-9.5	0	0	0	110.7	K11 T19	K11-D15 WeakPolarHBondContact CE-OD2 3.42Å; K11-D15 WeakPolarHBondContact CG-OD2 3.24Å; K11-D15 VanDerWaalsContact O-CB 3.25Å; K11-D15 WeakPolarHBondContact O-CB 3.21Å; K11-D15 PolarHBondContact O-N 3.38Å; D15-T19 VanDerWaalsContact O-CB 3.24Å; D15-T19 WeakPolarHBondContact O-CB 2.91Å; D15-T19 PolarHBondContact O-N 2.96Å; D15-T19 PolarHBondContact O-OG1 2.84Å
16	K	45.3	Very low	39.2	Very low	110 Å²	110	84.6 Å²	84.6	48%	0.478	42%	0.42	S	S	.	.	H	α-helix	trans	-74.5	-36.3	179.5	-166.6	168.1	-175.2	169.8	0	112.8	K12 F13 T14 K20	K12-K16 WeakPolarHBondContact O-CB 3.27Å; K12-K16 PolarHBondContact O-N 3.48Å; F13-K16 PolarHBondContact O-N 2.89Å; T14-K16 VanDerWaalsContact C-N 3.29Å; T14-K16 PolarHBondContact O-N 3.42Å; K16-K20 WeakPolarHBondContact O-CB 3.34Å; K16-K20 VanDerWaalsContact O-CG 3.24Å; K16-K20 WeakPolarHBondContact O-CG 3.28Å; K16-K20 PolarHBondContact O-N 3.01Å
17	I	37.2	Very low	39.1	Very low	62 Å²	62	89.7 Å²	89.7	32%	0.318	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-50	172.1	-68.3	-111.5	0	0	0	109.4	F13 T14 T19 K20 E21	F13-I17 HydrophobicContact CD1-CG1 4.17Å; F13-I17 HydrophobicContact CD2-CG1 4.16Å; F13-I17 HydrophobicContact CE1-CD1 3.87Å; F13-I17 HydrophobicContact CE1-CG1 3.81Å; F13-I17 HydrophobicContact CE2-CD1 3.69Å; F13-I17 HydrophobicContact CE2-CG1 3.8Å; F13-I17 HydrophobicContact CG-CG1 4.35Å; F13-I17 HydrophobicContact CZ-CD1 3.32Å; F13-I17 HydrophobicContact CZ-CG1 3.64Å; F13-I17 WeakPolarHBondContact O-CB 3.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.36Å; F13-I17 PolarHBondContact O-N 2.93Å; T14-I17 PolarHBondContact O-N 3.3Å; I17-T19 VanDerWaalsContact C-N 3.3Å; I17-T19 PolarHBondContact O-N 3.45Å; I17-K20 CarbonylContact O-C 3.59Å; I17-K20 WeakPolarHBondContact O-CA 3.41Å; I17-K20 PolarHBondContact O-N 2.95Å; I17-E21 HydrophobicContact CG2-CG 4.18Å; I17-E21 WeakPolarHBondContact O-CG 3.24Å; I17-E21 PolarHBondContact O-N 3.05Å
18	E	40	Very low	39.1	Very low	85 Å²	85	92 Å²	92	40%	0.397	46%	0.457	S	S	.	.	H	α-helix	trans	-63.3	-37.8	-178.3	-163.4	-175.9	160.5	0	0	111.3	T14 K22	T14-E18 VanDerWaalsContact O-CB 3.24Å; T14-E18 WeakPolarHBondContact O-CB 3.29Å; T14-E18 PolarHBondContact O-N 3.27Å; E18-K22 WeakPolarHBondContact O-CB 3.25Å; E18-K22 VanDerWaalsContact O-CG 3.28Å; E18-K22 WeakPolarHBondContact O-CG 3.33Å; E18-K22 PolarHBondContact O-N 2.67Å; E18-K22 WeakPolarHBondContact OE1-CE 3.47Å; E18-K22 IonicContact OE1-NZ 2.71Å; E18-K22 PolarHBondContact OE1-NZ 2.76Å
19	T	42	Very low	39	Very low	77 Å²	77	96.5 Å²	96.5	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-65.4	-39.6	172.7	-56.8	0	0	0	0	111.5	D15 I17 Q23	D15-T19 VanDerWaalsContact O-CB 3.24Å; D15-T19 WeakPolarHBondContact O-CB 2.91Å; D15-T19 PolarHBondContact O-N 2.96Å; D15-T19 PolarHBondContact O-OG1 2.84Å; I17-T19 VanDerWaalsContact C-N 3.3Å; I17-T19 PolarHBondContact O-N 3.45Å; T19-Q23 WeakPolarHBondContact O-CB 3.29Å; T19-Q23 WeakPolarHBondContact O-CG 3.1Å; T19-Q23 PolarHBondContact O-N 3.2Å
20	K	39	Very low	39	Very low	114 Å²	114	95.6 Å²	95.6	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-74.6	-34	178	-75.1	-71.7	174.6	-163.9	0	113.1	K16 I17 Q23 C24	K16-K20 WeakPolarHBondContact O-CB 3.34Å; K16-K20 VanDerWaalsContact O-CG 3.24Å; K16-K20 WeakPolarHBondContact O-CG 3.28Å; K16-K20 PolarHBondContact O-N 3.01Å; I17-K20 CarbonylContact O-C 3.59Å; I17-K20 WeakPolarHBondContact O-CA 3.41Å; I17-K20 PolarHBondContact O-N 2.95Å; K20-Q23 VanDerWaalsContact NZ-OE1 3.1Å; K20-Q23 PolarHBondContact O-N 3.3Å; K20-C24 WeakPolarHBondContact O-CB 3.39Å; K20-C24 PolarHBondContact O-N 3.48Å
21	E	32.9	Very low	39.3	Very low	91 Å²	91	97 Å²	97	43%	0.425	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-40.9	171.3	-76.9	-172.7	144.1	0	0	111.6	I17 Q23 C24	I17-E21 HydrophobicContact CG2-CG 4.18Å; I17-E21 WeakPolarHBondContact O-CG 3.24Å; I17-E21 PolarHBondContact O-N 3.05Å; E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 3.49Å; E21-C24 CarbonylContact O-C 3.08Å; E21-C24 PolarHBondContact O-N 2.71Å
22	K	41.1	Very low	39.3	Very low	148 Å²	148	95.2 Å²	95.2	64%	0.643	48%	0.477	S	S	*	.	H	α-helix	trans	-65.8	-33	172.9	-73.7	173.6	-173.6	165	0	112.5	E18	E18-K22 WeakPolarHBondContact O-CB 3.25Å; E18-K22 VanDerWaalsContact O-CG 3.28Å; E18-K22 WeakPolarHBondContact O-CG 3.33Å; E18-K22 PolarHBondContact O-N 2.67Å; E18-K22 WeakPolarHBondContact OE1-CE 3.47Å; E18-K22 IonicContact OE1-NZ 2.71Å; E18-K22 PolarHBondContact OE1-NZ 2.76Å
23	Q	38.3	Very low	39.1	Very low	122 Å²	122	93.5 Å²	93.5	57%	0.57	48%	0.475	S	S	*	.	H	α-helix	trans	-75.5	-22.7	172.7	-80.3	-179.8	-8.7	0	0	113.5	T19 K20 E21 P25	T19-Q23 WeakPolarHBondContact O-CB 3.29Å; T19-Q23 WeakPolarHBondContact O-CG 3.1Å; T19-Q23 PolarHBondContact O-N 3.2Å; K20-Q23 VanDerWaalsContact NZ-OE1 3.1Å; K20-Q23 PolarHBondContact O-N 3.3Å; E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 3.49Å; Q23-P25 VanDerWaalsContact C-CD 3.5Å
24	C	31.4	Very low	39	Very low	39 Å²	39	97.4 Å²	97.4	26%	0.264	49%	0.493	S	S	.	.			trans	-127.2	71.6	-180	-73.6	0	0	0	0	110.5	K20 E21 I26 I38	K20-C24 WeakPolarHBondContact O-CB 3.39Å; K20-C24 PolarHBondContact O-N 3.48Å; E21-C24 CarbonylContact O-C 3.08Å; E21-C24 PolarHBondContact O-N 2.71Å; C24-I26 PolarHBondContact O-N 3.25Å; C24-I38 HydrophobicContact CB-CD1 3.85Å; C24-I38 HydrophobicContact CB-CG1 4.29Å; C24-I38 HydrophobicContact CB-CG2 4.39Å; C24-I38 VanDerWaalsContact SG-CD1 3.57Å; C24-I38 VanDerWaalsContact SG-CG1 3.54Å
25	P	30.6	Very low	39.1	Very low	75 Å²	75	98.6 Å²	98.6	49%	0.487	50%	0.495	S	S	.	.			trans	-58.3	116	164.4	25.5	-30.9	0	0	0	107	Q23 K27	Q23-P25 VanDerWaalsContact C-CD 3.5Å; P25-K27 HydrophobicContact CB-CG 4.44Å; P25-K27 PolarHBondContact O-N 3.42Å
26	I	34.2	Very low	39	Very low	107 Å²	107	97.7 Å²	97.7	55%	0.549	49%	0.49	S	S	.	.			trans	-64	92.1	165.6	-60.8	166.8	0	0	0	104.7	C24	C24-I26 PolarHBondContact O-N 3.25Å
27	K	31.8	Very low	39.1	Very low	140 Å²	140	99.3 Å²	99.3	61%	0.609	50%	0.499	S	S	*	.			trans	-81.5	133.8	163.7	-58.4	178.6	176.8	179.7	0	105.6	P25 D29 V30	P25-K27 HydrophobicContact CB-CG 4.44Å; P25-K27 PolarHBondContact O-N 3.42Å; K27-D29 PolarHBondContact O-N 3.16Å; K27-V30 HydrophobicContact CB-CG2 3.88Å; K27-V30 VanDerWaalsContact O-CG2 3.28Å; K27-V30 WeakPolarHBondContact O-CG2 3.33Å; K27-V30 PolarHBondContact O-N 3.35Å
28	D	39.7	Very low	39.5	Very low	156 Å²	156	98.2 Å²	98.2	83%	0.834	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.9	178.9	-68	-47.2	0	0	0	112.5
29	D	39.4	Very low	39.7	Very low	162 Å²	162	95.5 Å²	95.5	87%	0.866	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	14.2	178.9	-69.5	-33	0	0	0	115.3	K27 N31	K27-D29 PolarHBondContact O-N 3.16Å; D29-N31 PolarHBondContact O-N 2.9Å
30	V	41.3	Very low	40	Very low	27 Å²	27	95.2 Å²	95.2	16%	0.164	48%	0.483	C	S	.	.			trans	-70.8	128.4	177.5	177.4	0	0	0	0	110.6	K27 Q34 Q35	K27-V30 HydrophobicContact CB-CG2 3.88Å; K27-V30 VanDerWaalsContact O-CG2 3.28Å; K27-V30 WeakPolarHBondContact O-CG2 3.33Å; K27-V30 PolarHBondContact O-N 3.35Å; V30-Q34 HydrophobicContact CG1-CB 3.33Å; V30-Q34 HydrophobicContact CG1-CG 4.38Å; V30-Q35 HydrophobicContact CB-CG 4.17Å; V30-Q35 HydrophobicContact CG1-CG 3.94Å
31	N	45.3	Very low	40.4	Very low	92 Å²	92	93 Å²	93	49%	0.492	48%	0.482	S	S	.	.			trans	-51.2	140.2	173.6	-178	10.8	0	0	0	110.6	D29 D33 Q34 Q35	D29-N31 PolarHBondContact O-N 2.9Å; N31-D33 PolarHBondContact ND2-OD2 3.05Å; N31-D33 PolarHBondContact O-N 2.99Å; N31-D33 VanDerWaalsContact O-N 3.1Å; N31-Q34 PolarHBondContact O-N 2.98Å; N31-Q35 PolarHBondContact O-N 2.83Å
32	I	43.6	Very low	41	Very low	93 Å²	93	91.8 Å²	91.8	48%	0.477	48%	0.475	S	S	.	.	H	α-helix	trans	-48.1	-41.4	-179.7	-66	171.3	0	0	0	110.9	Q34 Q35 D36	I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 2.98Å; I32-Q35 PolarHBondContact O-N 3.48Å; I32-Q35 VanDerWaalsContact O-N 3.13Å; I32-D36 PolarHBondContact O-N 2.71Å
33	D	41.6	Very low	41.1	Very low	111 Å²	111	86.4 Å²	86.4	59%	0.594	45%	0.454	S	S	*	.	H	α-helix	trans	-59.4	-39.4	179.9	-54	-37.1	0	0	0	113.2	N31 D36 E37	N31-D33 PolarHBondContact ND2-OD2 3.05Å; N31-D33 PolarHBondContact O-N 2.99Å; N31-D33 VanDerWaalsContact O-N 3.1Å; D33-D36 PolarHBondContact O-N 2.9Å; D33-E37 PolarHBondContact O-N 3.33Å; D33-E37 VanDerWaalsContact O-N 3.09Å
34	Q	40	Very low	41.6	Very low	111 Å²	111	82.5 Å²	82.5	52%	0.519	44%	0.439	S	S	.	.	H	α-helix	trans	-75.3	-33.2	178.3	-79.9	-178.3	-10.6	0	0	111.6	V30 N31 I32 D36 I38	V30-Q34 HydrophobicContact CG1-CB 3.33Å; V30-Q34 HydrophobicContact CG1-CG 4.38Å; N31-Q34 PolarHBondContact O-N 2.98Å; I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 2.98Å; Q34-D36 VanDerWaalsContact C-N 3.35Å; Q34-I38 WeakPolarHBondContact O-CD1 3.36Å; Q34-I38 WeakPolarHBondContact O-CG1 3.44Å; Q34-I38 PolarHBondContact O-N 3.07Å; Q34-I38 VanDerWaalsContact O-N 3.1Å
35	Q	39.8	Very low	42.4	Very low	75 Å²	75	83.9 Å²	83.9	35%	0.35	44%	0.439	S	S	.	.	H	α-helix	trans	-66	-40.5	172.5	-66.6	-168.2	-6.9	0	0	111.1	V30 N31 I32 I38 L39	V30-Q35 HydrophobicContact CB-CG 4.17Å; V30-Q35 HydrophobicContact CG1-CG 3.94Å; N31-Q35 PolarHBondContact O-N 2.83Å; I32-Q35 PolarHBondContact O-N 3.48Å; I32-Q35 VanDerWaalsContact O-N 3.13Å; Q35-I38 PolarHBondContact O-N 2.92Å; Q35-L39 WeakPolarHBondContact O-CB 3.21Å; Q35-L39 PolarHBondContact O-N 2.84Å
36	D	45	Very low	43	Very low	54 Å²	54	81.8 Å²	81.8	29%	0.289	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-38.6	177.2	-79.3	-13.2	0	0	0	111.9	I32 D33 Q34 L39 S40 T203	I32-D36 PolarHBondContact O-N 2.71Å; D33-D36 PolarHBondContact O-N 2.9Å; Q34-D36 VanDerWaalsContact C-N 3.35Å; D36-L39 PolarHBondContact O-N 2.99Å; D36-S40 WeakPolarHBondContact O-CB 3.03Å; D36-S40 PolarHBondContact O-N 2.64Å; D36-T203 WeakPolarHBondContact OD1-CB 3.23Å
37	E	47.5	Very low	43.7	Very low	144 Å²	144	81.5 Å²	81.5	67%	0.673	42%	0.418	S	S	*	.	H	α-helix	trans	-65.8	-46.5	175.1	-169.9	179.1	-173.8	0	0	112.1	D33 L39 S40 S41	D33-E37 PolarHBondContact O-N 3.33Å; D33-E37 VanDerWaalsContact O-N 3.09Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 2.79Å; E37-S40 PolarHBondContact O-N 3.3Å; E37-S41 WeakPolarHBondContact O-CB 3.28Å; E37-S41 PolarHBondContact O-N 2.84Å
38	I	44.2	Very low	44.5	Very low	40 Å²	40	77.4 Å²	77.4	21%	0.205	41%	0.407	C	S	.	.	H	α-helix	trans	-60.9	-44.4	176.2	-66.5	166.8	0	0	0	110	C24 Q34 Q35 S41 K42	C24-I38 HydrophobicContact CB-CD1 3.85Å; C24-I38 HydrophobicContact CB-CG1 4.29Å; C24-I38 HydrophobicContact CB-CG2 4.39Å; C24-I38 VanDerWaalsContact SG-CD1 3.57Å; C24-I38 VanDerWaalsContact SG-CG1 3.54Å; Q34-I38 WeakPolarHBondContact O-CD1 3.36Å; Q34-I38 WeakPolarHBondContact O-CG1 3.44Å; Q34-I38 PolarHBondContact O-N 3.07Å; Q34-I38 VanDerWaalsContact O-N 3.1Å; Q35-I38 PolarHBondContact O-N 2.92Å; I38-S41 PolarHBondContact O-N 2.8Å; I38-S41 PolarHBondContact O-OG 3.32Å; I38-K42 HydrophobicContact CG2-CD 4.46Å; I38-K42 WeakPolarHBondContact O-CG 3.32Å; I38-K42 PolarHBondContact O-N 3.31Å; I38-K42 VanDerWaalsContact O-N 3.13Å
39	L	44.2	Very low	44.9	Very low	28 Å²	28	71.5 Å²	71.5	15%	0.147	38%	0.375	C	S	.	.	H	α-helix	trans	-61.2	-52.7	178.3	169	54.1	0	0	0	111.7	Q35 D36 E37 S41 K42 V43 T203 P208	Q35-L39 WeakPolarHBondContact O-CB 3.21Å; Q35-L39 PolarHBondContact O-N 2.84Å; D36-L39 PolarHBondContact O-N 2.99Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 2.79Å; L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.36Å; L39-K42 PolarHBondContact O-N 3.13Å; L39-V43 HydrophobicContact CD1-CG2 3.83Å; L39-V43 PolarHBondContact O-N 3.18Å; L39-T203 HydrophobicContact CD2-CG2 4.17Å; L39-P208 HydrophobicContact CB-CG 4.38Å; L39-P208 HydrophobicContact CD1-CB 3.5Å; L39-P208 HydrophobicContact CD1-CG 3.33Å; L39-P208 HydrophobicContact CD2-CB 4.36Å; L39-P208 HydrophobicContact CD2-CG 3.33Å; L39-P208 HydrophobicContact CG-CB 4.34Å; L39-P208 HydrophobicContact CG-CG 3.79Å
40	S	48.5	Very low	45.6	Very low	70 Å²	70	69.4 Å²	69.4	49%	0.49	36%	0.364	S	S	.	.	H	α-helix	trans	-54.4	-46.6	177.7	-175.5	0	0	0	0	110	D36 E37 K42 V43 T44	D36-S40 WeakPolarHBondContact O-CB 3.03Å; D36-S40 PolarHBondContact O-N 2.64Å; E37-S40 PolarHBondContact O-N 3.3Å; S40-K42 VanDerWaalsContact C-N 3.31Å; S40-K42 PolarHBondContact O-N 3.25Å; S40-V43 PolarHBondContact O-N 2.94Å; S40-T44 VanDerWaalsContact O-CB 3.25Å; S40-T44 WeakPolarHBondContact O-CB 3.28Å; S40-T44 PolarHBondContact O-N 2.82Å; S40-T44 PolarHBondContact O-OG1 3.46Å
41	S	47	Very low	45.9	Very low	67 Å²	67	73.9 Å²	73.9	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-37.4	178.1	82.7	0	0	0	0	113.6	E37 I38 L39 W45	E37-S41 WeakPolarHBondContact O-CB 3.28Å; E37-S41 PolarHBondContact O-N 2.84Å; I38-S41 PolarHBondContact O-N 2.8Å; I38-S41 PolarHBondContact O-OG 3.32Å; L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.36Å; S41-W45 VanDerWaalsContact O-CB 3.26Å; S41-W45 WeakPolarHBondContact O-CB 3.37Å; S41-W45 PolarHBondContact O-N 3.45Å
42	K	45.5	Very low	46	Very low	66 Å²	66	69.8 Å²	69.8	29%	0.287	36%	0.361	S	S	.	.	H	α-helix	trans	-73.6	-43.7	178.9	-72.8	-178.4	178.8	-173.4	0	112.2	I38 L39 S40 W45 Y46 I212	I38-K42 HydrophobicContact CG2-CD 4.46Å; I38-K42 WeakPolarHBondContact O-CG 3.32Å; I38-K42 PolarHBondContact O-N 3.31Å; I38-K42 VanDerWaalsContact O-N 3.13Å; L39-K42 PolarHBondContact O-N 3.13Å; S40-K42 VanDerWaalsContact C-N 3.31Å; S40-K42 PolarHBondContact O-N 3.25Å; K42-W45 PolarHBondContact O-N 3.41Å; K42-Y46 PolarHBondContact O-N 3.28Å; K42-I212 HydrophobicContact CD-CD1 3.71Å; K42-I212 HydrophobicContact CD-CG1 4.01Å; K42-I212 VanDerWaalsContact NZ-CD1 3.27Å
43	V	45	Very low	46.4	Very low	35 Å²	35	69 Å²	69	21%	0.212	35%	0.354	C	S	.	.	H	α-helix	trans	-65.8	-44	177.3	173.9	0	0	0	0	110.4	L39 S40 W45 Y46 Q47 F196	L39-V43 HydrophobicContact CD1-CG2 3.83Å; L39-V43 PolarHBondContact O-N 3.18Å; S40-V43 PolarHBondContact O-N 2.94Å; V43-W45 PolarHBondContact O-N 3Å; V43-Y46 WeakPolarHBondContact O-CB 3.47Å; V43-Y46 PolarHBondContact O-N 3.32Å; V43-Q47 WeakPolarHBondContact O-CG 3.37Å; V43-Q47 PolarHBondContact O-N 3.31Å; V43-F196 HydrophobicContact CG1-CD1 4.39Å; V43-F196 HydrophobicContact CG1-CE1 3.87Å; V43-F196 HydrophobicContact CG2-CE1 4.24Å
44	T	48.1	Very low	46.8	Very low	40 Å²	40	70.1 Å²	70.1	25%	0.245	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-40.1	175.5	-59.7	0	0	0	0	111.8	S40 Y46 Q47 S48 F121	S40-T44 VanDerWaalsContact O-CB 3.25Å; S40-T44 WeakPolarHBondContact O-CB 3.28Å; S40-T44 PolarHBondContact O-N 2.82Å; S40-T44 PolarHBondContact O-OG1 3.46Å; T44-Y46 PolarHBondContact O-N 3.46Å; T44-Q47 PolarHBondContact O-N 2.89Å; T44-S48 WeakPolarHBondContact O-CB 3.24Å; T44-S48 PolarHBondContact O-N 2.9Å; T44-S48 PolarHBondContact O-OG 3.01Å; T44-F121 HydrophobicContact CG2-CD1 3.84Å; T44-F121 HydrophobicContact CG2-CE1 3.21Å; T44-F121 HydrophobicContact CG2-CZ 3.75Å
45	W	47.6	Very low	47.1	Very low	68 Å²	68	66.5 Å²	66.5	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-46	173.5	-179.9	90.2	0	0	0	111.6	F13 S41 K42 V43 Q47 S48 N49 F52	F13-W45 AromaticContact CD2-CH2 3.32Å; F13-W45 HydrophobicContact CD2-CH2 3.32Å; F13-W45 AromaticContact CD2-CZ2 3.69Å; F13-W45 HydrophobicContact CD2-CZ2 3.69Å; F13-W45 HydrophobicContact CD2-CZ3 4.27Å; F13-W45 AromaticContact CE2-CH2 3.16Å; F13-W45 HydrophobicContact CE2-CH2 3.16Å; F13-W45 AromaticContact CE2-CZ2 3.87Å; F13-W45 HydrophobicContact CE2-CZ2 3.87Å; F13-W45 AromaticContact CE2-CZ3 3.65Å; F13-W45 HydrophobicContact CE2-CZ3 3.65Å; F13-W45 HydrophobicContact CZ-CH2 4.46Å; S41-W45 VanDerWaalsContact O-CB 3.26Å; S41-W45 WeakPolarHBondContact O-CB 3.37Å; S41-W45 PolarHBondContact O-N 3.45Å; K42-W45 PolarHBondContact O-N 3.41Å; V43-W45 PolarHBondContact O-N 3Å; W45-Q47 PolarHBondContact O-N 3.35Å; W45-S48 WeakPolarHBondContact CA-OG 3.42Å; W45-S48 PolarHBondContact O-N 2.81Å; W45-S48 PolarHBondContact O-OG 2.95Å; W45-N49 HydrophobicContact CD2-CB 4.36Å; W45-N49 HydrophobicContact CE3-CB 4.45Å; W45-N49 HydrophobicContact CH2-CB 4.16Å; W45-N49 WeakPolarHBondContact CH2-ND2 3.4Å; W45-N49 HydrophobicContact CZ2-CB 4.21Å; W45-N49 WeakPolarHBondContact CZ2-ND2 3.38Å; W45-N49 HydrophobicContact CZ3-CB 4.32Å; W45-N49 WeakPolarHBondContact O-CB 3.48Å; W45-N49 PolarHBondContact O-N 3.18Å; W45-F52 HydrophobicContact CH2-CB 4.19Å; W45-F52 HydrophobicContact CH2-CD2 4.21Å; W45-F52 HydrophobicContact CH2-CG 4.37Å; W45-F52 HydrophobicContact CZ3-CB 4.42Å; W45-F52 HydrophobicContact CZ3-CD2 4.36Å; W45-F52 HydrophobicContact CZ3-CG 4.34Å
46	Y	44.6	Very low	47.5	Very low	32 Å²	32	63.7 Å²	63.7	13%	0.125	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-42.9	177.6	174.3	-98	0	0	0	112.2	K42 V43 T44 S48 F52 K53 F196 M215	K42-Y46 PolarHBondContact O-N 3.28Å; V43-Y46 WeakPolarHBondContact O-CB 3.47Å; V43-Y46 PolarHBondContact O-N 3.32Å; T44-Y46 PolarHBondContact O-N 3.46Å; Y46-S48 VanDerWaalsContact C-N 3.35Å; Y46-S48 PolarHBondContact O-N 3.34Å; Y46-F52 AromaticContact CD2-CD1 3.76Å; Y46-F52 HydrophobicContact CD2-CD1 3.76Å; Y46-F52 AromaticContact CD2-CE1 3.82Å; Y46-F52 HydrophobicContact CD2-CE1 3.82Å; Y46-F52 AromaticContact CE2-CD1 3.56Å; Y46-F52 HydrophobicContact CE2-CD1 3.56Å; Y46-F52 AromaticContact CE2-CE1 3.33Å; Y46-F52 HydrophobicContact CE2-CE1 3.33Å; Y46-F52 HydrophobicContact CE2-CZ 4.35Å; Y46-K53 WeakPolarHBondContact O-CE 3.32Å; Y46-F196 HydrophobicContact CD1-CE2 4.5Å; Y46-F196 HydrophobicContact CE1-CE2 4.27Å; Y46-M215 HydrophobicContact CD2-CE 3.4Å; Y46-M215 HydrophobicContact CD2-SD 4.18Å; Y46-M215 HydrophobicContact CE2-CE 3.13Å; Y46-M215 HydrophobicContact CE2-SD 4Å; Y46-M215 HydrophobicContact CG-CE 4.24Å
47	Q	47.7	Very low	47.7	Very low	101 Å²	101	64.1 Å²	64.1	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-34	178	-71.9	-178.7	-3.9	0	0	112.9	V43 T44 W45 K53	V43-Q47 WeakPolarHBondContact O-CG 3.37Å; V43-Q47 PolarHBondContact O-N 3.31Å; T44-Q47 PolarHBondContact O-N 2.89Å; W45-Q47 PolarHBondContact O-N 3.35Å; Q47-K53 VanDerWaalsContact O-CE 3.28Å; Q47-K53 WeakPolarHBondContact O-CE 3.47Å; Q47-K53 PolarHBondContact O-NZ 2.86Å
48	S	49.6	Very low	47.6	Very low	53 Å²	53	61.4 Å²	61.4	37%	0.371	31%	0.313	S	S	.	.	H	α-helix	trans	-88.1	-19.6	-179.3	56.1	0	0	0	0	113.9	T44 W45 Y46 N50	T44-S48 WeakPolarHBondContact O-CB 3.24Å; T44-S48 PolarHBondContact O-N 2.9Å; T44-S48 PolarHBondContact O-OG 3.01Å; W45-S48 WeakPolarHBondContact CA-OG 3.42Å; W45-S48 PolarHBondContact O-N 2.81Å; W45-S48 PolarHBondContact O-OG 2.95Å; Y46-S48 VanDerWaalsContact C-N 3.35Å; Y46-S48 PolarHBondContact O-N 3.34Å; S48-N50 PolarHBondContact O-N 3.37Å
49	N	47.4	Very low	47.6	Very low	33 Å²	33	60.5 Å²	60.5	18%	0.176	31%	0.309	C	S	.	.			trans	-80.6	85.8	-178.1	-166.2	-18.3	0	0	0	111.9	W45 E51 F52 K53	W45-N49 HydrophobicContact CD2-CB 4.36Å; W45-N49 HydrophobicContact CE3-CB 4.45Å; W45-N49 HydrophobicContact CH2-CB 4.16Å; W45-N49 WeakPolarHBondContact CH2-ND2 3.4Å; W45-N49 HydrophobicContact CZ2-CB 4.21Å; W45-N49 WeakPolarHBondContact CZ2-ND2 3.38Å; W45-N49 HydrophobicContact CZ3-CB 4.32Å; W45-N49 WeakPolarHBondContact O-CB 3.48Å; W45-N49 PolarHBondContact O-N 3.18Å; N49-E51 PolarHBondContact O-N 2.73Å; N49-E51 WeakPolarHBondContact OD1-CA 3.24Å; N49-E51 WeakPolarHBondContact OD1-CB 3.48Å; N49-E51 PolarHBondContact OD1-N 2.94Å; N49-F52 HydrophobicContact CB-CB 3.92Å; N49-F52 PolarHBondContact O-N 2.79Å; N49-F52 PolarHBondContact OD1-N 2.9Å; N49-K53 PolarHBondContact O-N 3.34Å
50	N	54.2	Low	47.5	Very low	118 Å²	118	61 Å²	61	63%	0.631	31%	0.311	S	S	*	.	H	α-helix	trans	-59.1	-30.4	173.2	-70.2	-28	0	0	0	112.8	S48 Y54	S48-N50 PolarHBondContact O-N 3.37Å; N50-Y54 WeakPolarHBondContact O-CA 3.16Å; N50-Y54 WeakPolarHBondContact O-CB 3.34Å; N50-Y54 PolarHBondContact O-N 3.35Å
51	E	48.2	Very low	47.3	Very low	121 Å²	121	62 Å²	62	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-69.6	-40.1	176.4	-59.8	-173.4	153.5	0	0	111.5	N49 Y54 M55	N49-E51 PolarHBondContact O-N 2.73Å; N49-E51 WeakPolarHBondContact OD1-CA 3.24Å; N49-E51 WeakPolarHBondContact OD1-CB 3.48Å; N49-E51 PolarHBondContact OD1-N 2.94Å; E51-Y54 PolarHBondContact O-N 3.23Å; E51-M55 VanDerWaalsContact O-CB 3.3Å; E51-M55 WeakPolarHBondContact O-CB 3.19Å; E51-M55 PolarHBondContact O-N 2.84Å
52	F	47.5	Very low	46.9	Very low	6 Å²	6	59.2 Å²	59.2	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-48.8	174.8	-176.5	-83.9	0	0	0	110.8	F13 W45 Y46 N49 Y54 M55 V56 M215 L218	F13-F52 HydrophobicContact CE2-CD2 4.41Å; W45-F52 HydrophobicContact CH2-CB 4.19Å; W45-F52 HydrophobicContact CH2-CD2 4.21Å; W45-F52 HydrophobicContact CH2-CG 4.37Å; W45-F52 HydrophobicContact CZ3-CB 4.42Å; W45-F52 HydrophobicContact CZ3-CD2 4.36Å; W45-F52 HydrophobicContact CZ3-CG 4.34Å; Y46-F52 AromaticContact CD2-CD1 3.76Å; Y46-F52 HydrophobicContact CD2-CD1 3.76Å; Y46-F52 AromaticContact CD2-CE1 3.82Å; Y46-F52 HydrophobicContact CD2-CE1 3.82Å; Y46-F52 AromaticContact CE2-CD1 3.56Å; Y46-F52 HydrophobicContact CE2-CD1 3.56Å; Y46-F52 AromaticContact CE2-CE1 3.33Å; Y46-F52 HydrophobicContact CE2-CE1 3.33Å; Y46-F52 HydrophobicContact CE2-CZ 4.35Å; N49-F52 HydrophobicContact CB-CB 3.92Å; N49-F52 PolarHBondContact O-N 2.79Å; N49-F52 PolarHBondContact OD1-N 2.9Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.32Å; F52-M55 HydrophobicContact CD2-CE 3.79Å; F52-M55 HydrophobicContact CE2-CE 3.73Å; F52-M55 HydrophobicContact CZ-CE 4.45Å; F52-M55 WeakPolarHBondContact O-CB 3.4Å; F52-M55 PolarHBondContact O-N 3.45Å; F52-M55 VanDerWaalsContact O-N 3.15Å; F52-V56 HydrophobicContact CD1-CG2 3.96Å; F52-V56 HydrophobicContact CE1-CB 4.45Å; F52-V56 HydrophobicContact CE1-CG2 3.28Å; F52-V56 HydrophobicContact CZ-CG2 3.65Å; F52-V56 PolarHBondContact O-N 3.28Å; F52-M215 HydrophobicContact CE1-CE 4.41Å; F52-M215 HydrophobicContact CE1-SD 3.77Å; F52-M215 HydrophobicContact CE2-SD 4.22Å; F52-M215 HydrophobicContact CZ-SD 3.35Å; F52-M215 WeakPolarHBondContact CZ-SD 3.09Å; F52-L218 HydrophobicContact CZ-CD1 4.45Å
53	K	51.7	Low	46.6	Very low	75 Å²	75	61 Å²	61	33%	0.326	30%	0.304	S	S	.	.	H	α-helix	trans	-57.3	-46.7	174.9	-73.1	177.2	172.2	179.7	0	110.7	Y46 Q47 N49 M55 V56 T57	Y46-K53 WeakPolarHBondContact O-CE 3.32Å; Q47-K53 VanDerWaalsContact O-CE 3.28Å; Q47-K53 WeakPolarHBondContact O-CE 3.47Å; Q47-K53 PolarHBondContact O-NZ 2.86Å; N49-K53 PolarHBondContact O-N 3.34Å; K53-M55 VanDerWaalsContact C-N 3.33Å; K53-M55 PolarHBondContact O-N 3.05Å; K53-V56 PolarHBondContact O-N 2.82Å; K53-T57 WeakPolarHBondContact O-CB 3.32Å; K53-T57 PolarHBondContact O-N 3.4Å; K53-T57 PolarHBondContact O-OG1 2.97Å
54	Y	50.1	Low	46	Very low	135 Å²	135	65.2 Å²	65.2	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-43.2	176.1	-177.6	-96.3	0	0	0	111.6	N50 E51 F52 T57 K58	N50-Y54 WeakPolarHBondContact O-CA 3.16Å; N50-Y54 WeakPolarHBondContact O-CB 3.34Å; N50-Y54 PolarHBondContact O-N 3.35Å; E51-Y54 PolarHBondContact O-N 3.23Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.32Å; Y54-T57 PolarHBondContact O-N 3.49Å; Y54-K58 HydrophobicContact CD1-CG 3.88Å; Y54-K58 HydrophobicContact CE1-CD 4.34Å; Y54-K58 HydrophobicContact CE1-CG 3.59Å; Y54-K58 HydrophobicContact CE2-CG 4.29Å; Y54-K58 HydrophobicContact CG-CG 4.35Å; Y54-K58 VanDerWaalsContact O-CB 3.25Å; Y54-K58 WeakPolarHBondContact O-CB 3.45Å; Y54-K58 WeakPolarHBondContact O-CG 3.19Å; Y54-K58 PolarHBondContact O-N 3.02Å; Y54-K58 WeakPolarHBondContact OH-CE 3.34Å
55	M	46.6	Very low	45.3	Very low	35 Å²	35	67.8 Å²	67.8	17%	0.172	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-48.2	175.1	-175.9	-173.4	65.6	0	0	110.7	L6 E51 F52 K53 K58 L59	L6-M55 HydrophobicContact CD2-CG 4.24Å; L6-M55 HydrophobicContact CD2-SD 4.21Å; E51-M55 VanDerWaalsContact O-CB 3.3Å; E51-M55 WeakPolarHBondContact O-CB 3.19Å; E51-M55 PolarHBondContact O-N 2.84Å; F52-M55 HydrophobicContact CD2-CE 3.79Å; F52-M55 HydrophobicContact CE2-CE 3.73Å; F52-M55 HydrophobicContact CZ-CE 4.45Å; F52-M55 WeakPolarHBondContact O-CB 3.4Å; F52-M55 PolarHBondContact O-N 3.45Å; F52-M55 VanDerWaalsContact O-N 3.15Å; K53-M55 VanDerWaalsContact C-N 3.33Å; K53-M55 PolarHBondContact O-N 3.05Å; M55-K58 CarbonylContact O-C 3.5Å; M55-K58 PolarHBondContact O-N 3.35Å; M55-L59 HydrophobicContact CG-CD1 3.88Å; M55-L59 HydrophobicContact CG-CG 4.38Å; M55-L59 WeakPolarHBondContact O-CB 3.35Å; M55-L59 WeakPolarHBondContact O-CG 3.23Å; M55-L59 PolarHBondContact O-N 3.29Å
56	V	46.9	Very low	44.3	Very low	16 Å²	16	73.4 Å²	73.4	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-45	176.3	170.9	0	0	0	0	111.5	F52 K53 K58 L59 I60	F52-V56 HydrophobicContact CD1-CG2 3.96Å; F52-V56 HydrophobicContact CE1-CB 4.45Å; F52-V56 HydrophobicContact CE1-CG2 3.28Å; F52-V56 HydrophobicContact CZ-CG2 3.65Å; F52-V56 PolarHBondContact O-N 3.28Å; K53-V56 PolarHBondContact O-N 2.82Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.85Å; V56-L59 CarbonylContact O-C 3.58Å; V56-L59 WeakPolarHBondContact O-CB 3.35Å; V56-L59 PolarHBondContact O-N 3.1Å; V56-L59 VanDerWaalsContact O-N 3.15Å; V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.35Å; V56-I60 WeakPolarHBondContact O-CB 3.3Å; V56-I60 VanDerWaalsContact O-CG1 3.26Å; V56-I60 WeakPolarHBondContact O-CG1 3.32Å; V56-I60 PolarHBondContact O-N 3.1Å
57	T	49.7	Very low	43.5	Very low	64 Å²	64	75.8 Å²	75.8	39%	0.393	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-44.6	173.8	-61.5	0	0	0	0	110.9	K53 Y54 L59 I60 H61	K53-T57 WeakPolarHBondContact O-CB 3.32Å; K53-T57 PolarHBondContact O-N 3.4Å; K53-T57 PolarHBondContact O-OG1 2.97Å; Y54-T57 PolarHBondContact O-N 3.49Å; T57-L59 VanDerWaalsContact C-N 3.33Å; T57-L59 PolarHBondContact O-N 3.31Å; T57-I60 PolarHBondContact O-N 2.9Å; T57-H61 WeakPolarHBondContact O-CB 3.5Å; T57-H61 PolarHBondContact O-CD2 2.89Å; T57-H61 PolarHBondContact O-N 3.37Å
58	K	45.1	Very low	42.8	Very low	87 Å²	87	76.8 Å²	76.8	38%	0.378	39%	0.39	S	S	.	.	H	α-helix	trans	-67.5	-32	175.7	-73.5	-61	-174.8	-173.5	0	113	Y54 M55 V56 H61 L62	Y54-K58 HydrophobicContact CD1-CG 3.88Å; Y54-K58 HydrophobicContact CE1-CD 4.34Å; Y54-K58 HydrophobicContact CE1-CG 3.59Å; Y54-K58 HydrophobicContact CE2-CG 4.29Å; Y54-K58 HydrophobicContact CG-CG 4.35Å; Y54-K58 VanDerWaalsContact O-CB 3.25Å; Y54-K58 WeakPolarHBondContact O-CB 3.45Å; Y54-K58 WeakPolarHBondContact O-CG 3.19Å; Y54-K58 PolarHBondContact O-N 3.02Å; Y54-K58 WeakPolarHBondContact OH-CE 3.34Å; M55-K58 CarbonylContact O-C 3.5Å; M55-K58 PolarHBondContact O-N 3.35Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.85Å; K58-H61 CarbonylContact O-C 3.56Å; K58-H61 VanDerWaalsContact O-C 3.26Å; K58-H61 PolarHBondContact O-N 2.83Å; K58-L62 PolarHBondContact O-N 2.85Å
59	L	44	Very low	41.8	Very low	21 Å²	21	81.1 Å²	81.1	11%	0.11	41%	0.408	C	S	.	.	H	α-helix	trans	-70.1	-41.6	172.4	-72.2	165.5	0	0	0	111.1	M55 V56 T57 H61 L62 N182 L185 V222	M55-L59 HydrophobicContact CG-CD1 3.88Å; M55-L59 HydrophobicContact CG-CG 4.38Å; M55-L59 WeakPolarHBondContact O-CB 3.35Å; M55-L59 WeakPolarHBondContact O-CG 3.23Å; M55-L59 PolarHBondContact O-N 3.29Å; V56-L59 CarbonylContact O-C 3.58Å; V56-L59 WeakPolarHBondContact O-CB 3.35Å; V56-L59 PolarHBondContact O-N 3.1Å; V56-L59 VanDerWaalsContact O-N 3.15Å; T57-L59 VanDerWaalsContact C-N 3.33Å; T57-L59 PolarHBondContact O-N 3.31Å; L59-H61 VanDerWaalsContact C-N 3.25Å; L59-H61 PolarHBondContact O-N 2.87Å; L59-L62 HydrophobicContact CB-CD1 4.31Å; L59-L62 HydrophobicContact CD2-CD1 3.76Å; L59-L62 HydrophobicContact CD2-CG 4.28Å; L59-L62 WeakPolarHBondContact O-CB 3.01Å; L59-L62 WeakPolarHBondContact O-CD1 3.42Å; L59-L62 WeakPolarHBondContact O-CG 3.34Å; L59-L62 PolarHBondContact O-N 3.38Å; L59-N182 PolarHBondContact O-OD1 2.98Å; L59-L185 HydrophobicContact CB-CD1 3.81Å; L59-V222 HydrophobicContact CD1-CG2 3.35Å; L59-V222 HydrophobicContact CD2-CG1 4.11Å; L59-V222 HydrophobicContact CD2-CG2 3.74Å; L59-V222 HydrophobicContact CG-CG2 4.18Å
60	I	43.3	Very low	40.7	Very low	37 Å²	37	85.7 Å²	85.7	19%	0.19	44%	0.437	C	S	.	.	H	α-helix	trans	-61	-39.3	172.1	-69.7	164.3	0	0	0	110.1	V56 T57 L62 L185 I186	V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.35Å; V56-I60 WeakPolarHBondContact O-CB 3.3Å; V56-I60 VanDerWaalsContact O-CG1 3.26Å; V56-I60 WeakPolarHBondContact O-CG1 3.32Å; V56-I60 PolarHBondContact O-N 3.1Å; T57-I60 PolarHBondContact O-N 2.9Å; I60-L62 PolarHBondContact O-N 3.35Å; I60-L185 HydrophobicContact CG1-CB 3.75Å; I60-L185 HydrophobicContact CG1-CD1 4.18Å; I60-I186 HydrophobicContact CG2-CG1 4.43Å
61	H	43.6	Very low	39.5	Very low	92 Å²	92	85.4 Å²	85.4	43%	0.426	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	22.2	173.1	-60	-57.1	0	0	0	113.6	T57 K58 L59 T63 D64	T57-H61 WeakPolarHBondContact O-CB 3.5Å; T57-H61 PolarHBondContact O-CD2 2.89Å; T57-H61 PolarHBondContact O-N 3.37Å; K58-H61 CarbonylContact O-C 3.56Å; K58-H61 VanDerWaalsContact O-C 3.26Å; K58-H61 PolarHBondContact O-N 2.83Å; L59-H61 VanDerWaalsContact C-N 3.25Å; L59-H61 PolarHBondContact O-N 2.87Å; H61-T63 PolarHBondContact O-N 3.45Å; H61-D64 PolarHBondContact O-N 3Å
62	L	39.3	Very low	38.4	Very low	9 Å²	9	87 Å²	87	5%	0.047	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-57	-11.9	172.4	-89.6	163.3	0	0	0	113.4	K58 L59 I60 D64 F65 I178 F225	K58-L62 PolarHBondContact O-N 2.85Å; L59-L62 HydrophobicContact CB-CD1 4.31Å; L59-L62 HydrophobicContact CD2-CD1 3.76Å; L59-L62 HydrophobicContact CD2-CG 4.28Å; L59-L62 WeakPolarHBondContact O-CB 3.01Å; L59-L62 WeakPolarHBondContact O-CD1 3.42Å; L59-L62 WeakPolarHBondContact O-CG 3.34Å; L59-L62 PolarHBondContact O-N 3.38Å; I60-L62 PolarHBondContact O-N 3.35Å; L62-D64 PolarHBondContact O-N 3.23Å; L62-D64 VanDerWaalsContact O-N 3.12Å; L62-F65 HydrophobicContact CB-CD2 4.38Å; L62-F65 HydrophobicContact CD2-CB 4.35Å; L62-F65 HydrophobicContact CD2-CD1 4.42Å; L62-F65 HydrophobicContact CD2-CD2 3.27Å; L62-F65 HydrophobicContact CD2-CE2 3.46Å; L62-F65 VanDerWaalsContact CD2-CE2 3.46Å; L62-F65 HydrophobicContact CD2-CG 3.77Å; L62-F65 HydrophobicContact CD2-CZ 4.13Å; L62-F65 HydrophobicContact CG-CD2 4.22Å; L62-F65 HydrophobicContact CG-CE2 4.37Å; L62-F65 WeakPolarHBondContact O-CB 3.39Å; L62-F65 PolarHBondContact O-N 2.81Å; L62-I178 HydrophobicContact CB-CG2 4.47Å; L62-F225 HydrophobicContact CD2-CE1 4.41Å
63	T	37.6	Very low	37.5	Very low	102 Å²	102	96.3 Å²	96.3	63%	0.626	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-53.4	-23.9	167.7	44.7	0	0	0	0	113.4	H61 F65	H61-T63 PolarHBondContact O-N 3.45Å; T63-F65 VanDerWaalsContact C-N 3.25Å; T63-F65 PolarHBondContact O-N 3.38Å
64	D	32.6	Very low	36.4	Very low	125 Å²	125	101 Å²	101	67%	0.668	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-78.4	-7.3	176.3	-64.8	-16.8	0	0	0	113.4	H61 L62 Q66	H61-D64 PolarHBondContact O-N 3Å; L62-D64 PolarHBondContact O-N 3.23Å; L62-D64 VanDerWaalsContact O-N 3.12Å; D64-Q66 PolarHBondContact O-N 3.5Å
65	F	33.7	Very low	35.2	Very low	94 Å²	94	99.5 Å²	99.5	41%	0.412	53%	0.53	S	S	.	.			trans	-86.7	88.8	173	-70.2	-103.4	0	0	0	108.7	L62 T63 H67	L62-F65 HydrophobicContact CB-CD2 4.38Å; L62-F65 HydrophobicContact CD2-CB 4.35Å; L62-F65 HydrophobicContact CD2-CD1 4.42Å; L62-F65 HydrophobicContact CD2-CD2 3.27Å; L62-F65 HydrophobicContact CD2-CE2 3.46Å; L62-F65 VanDerWaalsContact CD2-CE2 3.46Å; L62-F65 HydrophobicContact CD2-CG 3.77Å; L62-F65 HydrophobicContact CD2-CZ 4.13Å; L62-F65 HydrophobicContact CG-CD2 4.22Å; L62-F65 HydrophobicContact CG-CE2 4.37Å; L62-F65 WeakPolarHBondContact O-CB 3.39Å; L62-F65 PolarHBondContact O-N 2.81Å; T63-F65 VanDerWaalsContact C-N 3.25Å; T63-F65 PolarHBondContact O-N 3.38Å; F65-H67 PolarHBondContact O-N 2.94Å; F65-H67 VanDerWaalsContact O-N 3.09Å
66	Q	26.6	Very low	34.2	Very low	185 Å²	185	105.4 Å²	105.4	86%	0.864	56%	0.56	S	S	*	*			trans	-56.4	117.6	162	-77.6	-175.4	-11.3	0	0	108.4	D64 P68	D64-Q66 PolarHBondContact O-N 3.5Å; Q66-P68 WeakPolarHBondContact O-CD 3.45Å
67	H	28.5	Very low	33.1	Very low	83 Å²	83	109.4 Å²	109.4	38%	0.384	59%	0.589	S	S	.	*			trans	-53.5	123.8	167.7	-134.8	-48.6	0	0	0	107.6	F65 L69	F65-H67 PolarHBondContact O-N 2.94Å; F65-H67 VanDerWaalsContact O-N 3.09Å; H67-L69 PolarHBondContact O-N 3.43Å
68	P	32.2	Very low	32	Very low	122 Å²	122	111.4 Å²	111.4	79%	0.792	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	15.4	176.4	-17.7	31	0	0	0	113.8	Q66	Q66-P68 WeakPolarHBondContact O-CD 3.45Å
69	L	28.4	Very low	31.3	Very low	143 Å²	143	115.4 Å²	115.4	75%	0.749	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	7.6	-174.6	-91	154.5	0	0	0	114.2	H67	H67-L69 PolarHBondContact O-N 3.43Å
70	T	25.6	Very low	30.4	Very low	130 Å²	130	119.3 Å²	119.3	80%	0.798	66%	0.659	S	S	*	*			trans	-120.9	47.1	168	61.5	0	0	0	0	112.1
71	S	27.3	Very low	29.6	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	69%	0.686	S	S	*	*			trans	-93.5	84.8	147.8	-174.7	0	0	0	0	106.8	K73	S71-K73 PolarHBondContact O-N 2.93Å
72	N	25.2	Very low	28.8	Very low	155 Å²	155	123.6 Å²	123.6	83%	0.829	70%	0.702	S	S	*	*			trans	-63.4	123.6	170.2	-132.8	-7.3	0	0	0	107	Q74	N72-Q74 PolarHBondContact O-N 3.25Å
73	K	29.6	Very low	28.4	Very low	202 Å²	202	129.1 Å²	129.1	88%	0.878	74%	0.739	S	S	*	*			trans	-55.3	97.6	175.1	-71.2	173.3	174.8	176.6	0	110	S71	S71-K73 PolarHBondContact O-N 2.93Å
74	Q	27.5	Very low	28.2	Very low	174 Å²	174	129.7 Å²	129.7	81%	0.813	75%	0.745	S	S	*	*			trans	-135.7	85.9	157	-78.5	-176.6	-26.2	0	0	106.5	N72	N72-Q74 PolarHBondContact O-N 3.25Å
75	S	26.5	Very low	28.3	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	75%	0.75	S	S	*	*				94.3	97.9	98.2	-63.5	0	0	0	0	112.4
76	I	25.8	Very low	28.3	Very low	159 Å²	159	131.2 Å²	131.2	82%	0.815	77%	0.774	S	S	*	*			trans	40.9	118.7	132.8	-42.2	167.5	0	0	0	117.3
77	S	23.2	Very low	28.6	Very low	100 Å²	100	125.4 Å²	125.4	70%	0.699	76%	0.763	S	S	*	*				176	113.3	111.6	-73.3	0	0	0	0	112.6
78	S	26.4	Very low	28.9	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	77%	0.766	S	S	*	*			trans	35.1	115.2	140.9	52.5	0	0	0	0	120.8
79	L	30.8	Very low	29.3	Very low	172 Å²	172	123.4 Å²	123.4	90%	0.901	75%	0.749	S	S	*	*			trans	-170	99.8	142.2	-91.9	133.7	0	0	0	107.3
80	S	24.7	Very low	29.6	Very low	103 Å²	103	122.7 Å²	122.7	72%	0.72	74%	0.744	S	S	*	*				67.7	108.5	93.3	-165.3	0	0	0	0	115.2
81	S	25.7	Very low	30.2	Very low	107 Å²	107	123.2 Å²	123.2	75%	0.748	74%	0.738	S	S	*	*			trans	7.3	117.4	154	44.5	0	0	0	0	120.7
82	S	28.2	Very low	30.5	Very low	111 Å²	111	120.4 Å²	120.4	78%	0.776	72%	0.716	S	S	*	*			trans	-161.2	129.8	138.7	-66	0	0	0	0	108.1
83	P	31	Very low	31	Very low	126 Å²	126	117.9 Å²	117.9	82%	0.818	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-74.8	131.5	-176.8	29.4	-30.7	0	0	0	110.3
84	P	33.4	Very low	31.3	Very low	114 Å²	114	113 Å²	113	74%	0.74	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-68.7	146.1	173.1	27.1	-29.7	0	0	0	110
85	P	34.3	Very low	31.8	Very low	121 Å²	121	107.5 Å²	107.5	79%	0.786	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.7	150.9	-176.6	27.5	-33.3	0	0	0	110.2	G87	P85-G87 PolarHBondContact O-N 2.82Å
86	S	33	Very low	32.3	Very low	129 Å²	129	108.4 Å²	108.4	90%	0.902	66%	0.66	S	S	*	*			trans	-54	79.8	179.7	58.9	0	0	0	0	112.3
87	G	33	Very low	32.7	Very low	63 Å²	63	103.3 Å²	103.3	65%	0.649	64%	0.641	S	S	*	*			trans	-80.6	124.8	165.2	0	0	0	0	0	107.4	P85 N89	P85-G87 PolarHBondContact O-N 2.82Å; G87-N89 PolarHBondContact O-N 2.77Å
88	D	34.3	Very low	33.4	Very low	81 Å²	81	102.2 Å²	102.2	43%	0.433	63%	0.63	S	S	.	*			trans	-31.4	113.6	172.6	-78.3	-14.4	0	0	0	110.5	T92 K96	D88-T92 HydrophobicContact CB-CG2 4.1Å; D88-K96 IonicContact OD2-NZ 2.71Å; D88-K96 PolarHBondContact OD2-NZ 3.45Å
89	N	40.8	Very low	33.6	Very low	82 Å²	82	106.5 Å²	106.5	44%	0.439	63%	0.631	S	S	.	*			trans	-61.2	159.4	177.1	73	-4.7	0	0	0	109.6	G87 E91 T92 L93	G87-N89 PolarHBondContact O-N 2.77Å; N89-E91 PolarHBondContact ND2-OE2 2.9Å; N89-E91 VanDerWaalsContact ND2-OE2 3.09Å; N89-E91 PolarHBondContact O-N 3.06Å; N89-T92 WeakPolarHBondContact O-CA 3.38Å; N89-T92 WeakPolarHBondContact O-CB 3.48Å; N89-T92 PolarHBondContact O-N 3.45Å; N89-T92 PolarHBondContact OD1-N 3.23Å; N89-T92 VanDerWaalsContact OD1-N 3.1Å; N89-T92 PolarHBondContact OD1-OG1 3Å; N89-L93 PolarHBondContact O-N 2.93Å
90	I	35.9	Very low	33.5	Very low	128 Å²	128	107.7 Å²	107.7	66%	0.656	62%	0.623	S	S	*	*	H	α-helix	trans	-49.7	-34.4	-178.2	-83.9	169.5	0	0	0	112.6	T92 L93 I94	I90-T92 VanDerWaalsContact C-N 3.35Å; I90-T92 PolarHBondContact O-N 2.8Å; I90-L93 PolarHBondContact O-N 2.8Å; I90-I94 HydrophobicContact CG2-CD1 3.62Å; I90-I94 HydrophobicContact CG2-CG1 4.32Å; I90-I94 VanDerWaalsContact O-CG1 3.27Å; I90-I94 WeakPolarHBondContact O-CG1 3.4Å; I90-I94 PolarHBondContact O-N 3.47Å
91	E	38	Very low	33.7	Very low	142 Å²	142	107.6 Å²	107.6	66%	0.664	61%	0.614	S	S	*	*	H	α-helix	trans	-62.1	-39.7	176.3	-70	170.2	145.7	0	0	112.6	N89 I94 A95	N89-E91 PolarHBondContact ND2-OE2 2.9Å; N89-E91 VanDerWaalsContact ND2-OE2 3.09Å; N89-E91 PolarHBondContact O-N 3.06Å; E91-I94 PolarHBondContact O-N 3.16Å; E91-A95 WeakPolarHBondContact O-CB 3.5Å; E91-A95 PolarHBondContact O-N 3.33Å
92	T	34.2	Very low	34	Very low	52 Å²	52	107.2 Å²	107.2	32%	0.319	61%	0.608	S	S	.	*	H	α-helix	trans	-69.6	-37	178	-48.9	0	0	0	0	111.3	D88 N89 I90 A95 K96	D88-T92 HydrophobicContact CB-CG2 4.1Å; N89-T92 WeakPolarHBondContact O-CA 3.38Å; N89-T92 WeakPolarHBondContact O-CB 3.48Å; N89-T92 PolarHBondContact O-N 3.45Å; N89-T92 PolarHBondContact OD1-N 3.23Å; N89-T92 VanDerWaalsContact OD1-N 3.1Å; N89-T92 PolarHBondContact OD1-OG1 3Å; I90-T92 VanDerWaalsContact C-N 3.35Å; I90-T92 PolarHBondContact O-N 2.8Å; T92-A95 PolarHBondContact O-N 3.11Å; T92-K96 WeakPolarHBondContact O-CB 3.45Å; T92-K96 PolarHBondContact O-N 3.4Å
93	L	34.2	Very low	33.9	Very low	102 Å²	102	108 Å²	108	53%	0.534	60%	0.602	S	S	.	*	H	α-helix	trans	-65.4	-43.4	173.4	-80.4	164.1	0	0	0	111.9	N89 I90 K96 A97	N89-L93 PolarHBondContact O-N 2.93Å; I90-L93 PolarHBondContact O-N 2.8Å; L93-K96 PolarHBondContact O-N 3.4Å; L93-A97 WeakPolarHBondContact O-CB 3.48Å; L93-A97 PolarHBondContact O-N 3.45Å
94	I	35.7	Very low	33.7	Very low	100 Å²	100	107 Å²	107	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-63.7	-45	175.6	-67.9	167.2	0	0	0	110.1	I90 E91 K96 A97 T98	I90-I94 HydrophobicContact CG2-CD1 3.62Å; I90-I94 HydrophobicContact CG2-CG1 4.32Å; I90-I94 VanDerWaalsContact O-CG1 3.27Å; I90-I94 WeakPolarHBondContact O-CG1 3.4Å; I90-I94 PolarHBondContact O-N 3.47Å; E91-I94 PolarHBondContact O-N 3.16Å; I94-K96 PolarHBondContact O-N 2.84Å; I94-A97 PolarHBondContact O-N 3.04Å; I94-T98 WeakPolarHBondContact O-CB 3.25Å; I94-T98 PolarHBondContact O-N 2.91Å; I94-T98 PolarHBondContact O-OG1 3.09Å
95	A	38.6	Very low	33.3	Very low	58 Å²	58	110.5 Å²	110.5	48%	0.479	59%	0.593	S	S	.	*	H	α-helix	trans	-60.8	-42.9	176.8	0	0	0	0	0	112.1	E91 T92 R99	E91-A95 WeakPolarHBondContact O-CB 3.5Å; E91-A95 PolarHBondContact O-N 3.33Å; T92-A95 PolarHBondContact O-N 3.11Å; A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 PolarHBondContact O-N 2.75Å
96	K	36.9	Very low	32.9	Very low	122 Å²	122	108.3 Å²	108.3	53%	0.53	58%	0.581	S	S	.	*	H	α-helix	trans	-62.9	-43.7	174.7	-84.1	176.6	179	167	0	112.2	D88 T92 L93 I94 R99 R100	D88-K96 IonicContact OD2-NZ 2.71Å; D88-K96 PolarHBondContact OD2-NZ 3.45Å; T92-K96 WeakPolarHBondContact O-CB 3.45Å; T92-K96 PolarHBondContact O-N 3.4Å; L93-K96 PolarHBondContact O-N 3.4Å; I94-K96 PolarHBondContact O-N 2.84Å; K96-R99 PolarHBondContact O-N 3.14Å; K96-R100 WeakPolarHBondContact O-CB 3.22Å; K96-R100 PolarHBondContact O-N 2.92Å
97	A	35.5	Very low	32.8	Very low	51 Å²	51	108.1 Å²	108.1	42%	0.421	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-42.8	178.6	0	0	0	0	0	111.8	L93 I94 R100 N101	L93-A97 WeakPolarHBondContact O-CB 3.48Å; L93-A97 PolarHBondContact O-N 3.45Å; I94-A97 PolarHBondContact O-N 3.04Å; A97-R100 PolarHBondContact O-N 3.46Å; A97-N101 PolarHBondContact O-N 2.95Å
98	T	36.8	Very low	32.8	Very low	77 Å²	77	110.9 Å²	110.9	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-64.4	-44.1	176.3	-56.3	0	0	0	0	110.8	I94 R100 N101 T102	I94-T98 WeakPolarHBondContact O-CB 3.25Å; I94-T98 PolarHBondContact O-N 2.91Å; I94-T98 PolarHBondContact O-OG1 3.09Å; T98-R100 VanDerWaalsContact C-N 3.35Å; T98-R100 PolarHBondContact O-N 3.12Å; T98-N101 PolarHBondContact O-N 2.94Å; T98-N101 VanDerWaalsContact O-N 3.13Å; T98-T102 PolarHBondContact O-N 2.98Å; T98-T102 PolarHBondContact O-OG1 3.3Å
99	R	29.7	Very low	32.7	Very low	196 Å²	196	109.9 Å²	109.9	74%	0.74	58%	0.582	S	S	*	*	H	α-helix	trans	-64	-37.9	176.7	-147.2	175.4	-164	167.8	3.3	112.2	A95 K96 T102 I103	A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 PolarHBondContact O-N 2.75Å; K96-R99 PolarHBondContact O-N 3.14Å; R99-T102 PolarHBondContact O-N 3.19Å; R99-I103 WeakPolarHBondContact O-CD1 3.42Å; R99-I103 VanDerWaalsContact O-CG1 3.27Å; R99-I103 WeakPolarHBondContact O-CG1 3.28Å; R99-I103 PolarHBondContact O-N 2.85Å
100	R	30.2	Very low	32.4	Very low	197 Å²	197	114 Å²	114	74%	0.743	60%	0.598	S	S	*	*	H	α-helix	trans	-62.8	-44	170.8	-109	-176.7	177.1	172.2	-0.7	111.6	K96 A97 T98 I103 V104	K96-R100 WeakPolarHBondContact O-CB 3.22Å; K96-R100 PolarHBondContact O-N 2.92Å; A97-R100 PolarHBondContact O-N 3.46Å; T98-R100 VanDerWaalsContact C-N 3.35Å; T98-R100 PolarHBondContact O-N 3.12Å; R100-I103 PolarHBondContact O-N 3.28Å; R100-V104 VanDerWaalsContact O-CG2 3.24Å; R100-V104 WeakPolarHBondContact O-CG2 3.45Å; R100-V104 PolarHBondContact O-N 3.42Å; R100-V104 VanDerWaalsContact O-N 3.16Å
101	N	29.2	Very low	32.4	Very low	100 Å²	100	113 Å²	113	54%	0.535	60%	0.595	S	S	.	*	H	α-helix	trans	-65.8	-38.9	177.9	-77.9	-19.9	0	0	0	112.2	A97 T98 I103 V104 Y105	A97-N101 PolarHBondContact O-N 2.95Å; T98-N101 PolarHBondContact O-N 2.94Å; T98-N101 VanDerWaalsContact O-N 3.13Å; N101-I103 VanDerWaalsContact C-N 3.3Å; N101-I103 PolarHBondContact O-N 3.45Å; N101-V104 PolarHBondContact O-N 3.47Å; N101-Y105 WeakPolarHBondContact O-CD2 3.26Å; N101-Y105 PolarHBondContact O-N 2.78Å
102	T	30.8	Very low	32.2	Very low	100 Å²	100	113.8 Å²	113.8	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-33.6	176.9	-43.3	0	0	0	0	112.3	T98 R99	T98-T102 PolarHBondContact O-N 2.98Å; T98-T102 PolarHBondContact O-OG1 3.3Å; R99-T102 PolarHBondContact O-N 3.19Å
103	I	25.8	Very low	32.4	Very low	126 Å²	126	117.1 Å²	117.1	65%	0.646	61%	0.614	S	S	*	*	H	α-helix	trans	-72.9	-31.8	176.9	-65.5	165.6	0	0	0	111.5	R99 R100 N101 Y105 S106	R99-I103 WeakPolarHBondContact O-CD1 3.42Å; R99-I103 VanDerWaalsContact O-CG1 3.27Å; R99-I103 WeakPolarHBondContact O-CG1 3.28Å; R99-I103 PolarHBondContact O-N 2.85Å; R100-I103 PolarHBondContact O-N 3.28Å; N101-I103 VanDerWaalsContact C-N 3.3Å; N101-I103 PolarHBondContact O-N 3.45Å; I103-Y105 PolarHBondContact O-N 2.84Å; I103-S106 PolarHBondContact O-N 3.15Å
104	V	28.4	Very low	32.5	Very low	106 Å²	106	117 Å²	117	64%	0.642	61%	0.613	S	S	*	*	H	α-helix	trans	-76.3	-19.8	-177	174.9	0	0	0	0	113	R100 N101 S106	R100-V104 VanDerWaalsContact O-CG2 3.24Å; R100-V104 WeakPolarHBondContact O-CG2 3.45Å; R100-V104 PolarHBondContact O-N 3.42Å; R100-V104 VanDerWaalsContact O-N 3.16Å; N101-V104 PolarHBondContact O-N 3.47Å; V104-S106 PolarHBondContact O-N 2.79Å
105	Y	24.8	Very low	32.6	Very low	187 Å²	187	116.9 Å²	116.9	73%	0.733	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	20.4	174.5	-74.6	-74.5	0	0	0	114.2	N101 I103 T107	N101-Y105 WeakPolarHBondContact O-CD2 3.26Å; N101-Y105 PolarHBondContact O-N 2.78Å; I103-Y105 PolarHBondContact O-N 2.84Å; Y105-T107 PolarHBondContact O-N 3.23Å
106	S	24.8	Very low	32.6	Very low	76 Å²	76	120 Å²	120	53%	0.531	62%	0.615	S	S	.	*			trans	-75	104.8	165.8	175.4	0	0	0	0	109.5	I103 V104 T108	I103-S106 PolarHBondContact O-N 3.15Å; V104-S106 PolarHBondContact O-N 2.79Å; S106-T108 PolarHBondContact O-N 2.75Å
107	T	31.9	Very low	32.7	Very low	124 Å²	124	117 Å²	117	76%	0.761	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47	25.2	-174.9	42.2	0	0	0	0	119.8	Y105	Y105-T107 PolarHBondContact O-N 3.23Å
108	T	32.6	Very low	32.6	Very low	121 Å²	121	119.4 Å²	119.4	74%	0.742	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-14.3	177.5	37.7	0	0	0	0	114.8	S106 E110	S106-T108 PolarHBondContact O-N 2.75Å; T108-E110 VanDerWaalsContact C-N 3.34Å; T108-E110 PolarHBondContact O-N 3.24Å
109	A	32.3	Very low	32.7	Very low	61 Å²	61	120 Å²	120	50%	0.504	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.7	-7.5	178.6	0	0	0	0	0	114.5	N111	A109-N111 PolarHBondContact O-N 3.43Å
110	E	33.8	Very low	32.9	Very low	167 Å²	167	116.1 Å²	116.1	78%	0.78	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-3.2	-173.8	-75	-166	156.3	0	0	115.4	T108	T108-E110 VanDerWaalsContact C-N 3.34Å; T108-E110 PolarHBondContact O-N 3.24Å
111	N	36.2	Very low	33.1	Very low	109 Å²	109	108.6 Å²	108.6	58%	0.583	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-26.4	-176.2	-134.9	-22.5	0	0	0	115.2	A109 Q115	A109-N111 PolarHBondContact O-N 3.43Å; N111-Q115 WeakPolarHBondContact O-CB 2.86Å; N111-Q115 WeakPolarHBondContact O-CG 3.2Å; N111-Q115 PolarHBondContact O-N 3.41Å
112	E	34.6	Very low	33.2	Very low	157 Å²	157	111 Å²	111	73%	0.734	58%	0.579	S	S	*	*	H	α-helix	trans	-75.5	-45.8	-177.1	-82.5	-179.4	163.6	0	0	112.4	L114 Q115 Q116	E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3.15Å; E112-Q115 PolarHBondContact O-N 2.75Å; E112-Q116 VanDerWaalsContact O-CB 3.28Å; E112-Q116 WeakPolarHBondContact O-CB 3.26Å; E112-Q116 PolarHBondContact O-N 3.47Å
113	D	37.6	Very low	33.2	Very low	122 Å²	122	110.6 Å²	110.6	65%	0.652	58%	0.578	S	S	*	*	H	α-helix	trans	-64.2	-35.8	178.9	-72.1	-22.8	0	0	0	111.6	L117	D113-L117 VanDerWaalsContact O-CB 3.23Å; D113-L117 WeakPolarHBondContact O-CB 3.34Å; D113-L117 PolarHBondContact O-N 2.93Å
114	L	36.6	Very low	33.5	Very low	99 Å²	99	112.8 Å²	112.8	52%	0.518	58%	0.583	S	S	.	*	H	α-helix	trans	-74.3	-38.9	177.4	-156.1	84.4	0	0	0	111.9	E112 L117 M118	E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3.15Å; L114-L117 WeakPolarHBondContact O-CB 3.43Å; L114-L117 PolarHBondContact O-N 3.2Å; L114-M118 VanDerWaalsContact O-CG 3.3Å; L114-M118 WeakPolarHBondContact O-CG 3.09Å; L114-M118 PolarHBondContact O-N 3.49Å
115	Q	37.9	Very low	33.7	Very low	98 Å²	98	115.1 Å²	115.1	46%	0.458	59%	0.585	S	S	.	*	H	α-helix	trans	-67.6	-38.9	173.7	-87.5	-74.8	-14.1	0	0	112.2	N111 E112 L117 M118 N119	N111-Q115 WeakPolarHBondContact O-CB 2.86Å; N111-Q115 WeakPolarHBondContact O-CG 3.2Å; N111-Q115 PolarHBondContact O-N 3.41Å; E112-Q115 PolarHBondContact O-N 2.75Å; Q115-L117 VanDerWaalsContact C-N 3.3Å; Q115-M118 PolarHBondContact O-N 3.44Å; Q115-N119 WeakPolarHBondContact O-CB 3.09Å; Q115-N119 PolarHBondContact O-N 3.18Å; Q115-N119 PolarHBondContact O-ND2 3.44Å; Q115-N119 VanDerWaalsContact O-ND2 3.1Å
116	Q	38.5	Very low	33.8	Very low	124 Å²	124	114.2 Å²	114.2	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-65.1	-39.3	174.5	-159.3	172.2	23.3	0	0	110.3	E112 M120	E112-Q116 VanDerWaalsContact O-CB 3.28Å; E112-Q116 WeakPolarHBondContact O-CB 3.26Å; E112-Q116 PolarHBondContact O-N 3.47Å; Q116-M120 WeakPolarHBondContact O-CE 3.46Å; Q116-M120 WeakPolarHBondContact O-CG 3.15Å; Q116-M120 PolarHBondContact O-N 3.01Å; Q116-M120 VanDerWaalsContact O-N 3.1Å
117	L	38.2	Very low	34.3	Very low	60 Å²	60	115.6 Å²	115.6	31%	0.314	59%	0.594	S	S	.	*	H	α-helix	trans	-59.3	-50.4	170.8	-162.3	88.1	0	0	0	111.7	D113 L114 Q115 N119 M120 F121	D113-L117 VanDerWaalsContact O-CB 3.23Å; D113-L117 WeakPolarHBondContact O-CB 3.34Å; D113-L117 PolarHBondContact O-N 2.93Å; L114-L117 WeakPolarHBondContact O-CB 3.43Å; L114-L117 PolarHBondContact O-N 3.2Å; Q115-L117 VanDerWaalsContact C-N 3.3Å; L117-N119 PolarHBondContact O-N 3.35Å; L117-M120 HydrophobicContact CD1-CE 4.39Å; L117-M120 PolarHBondContact O-N 3.44Å; L117-F121 HydrophobicContact CD1-CZ 4.37Å; L117-F121 HydrophobicContact CD2-CE2 4.05Å; L117-F121 HydrophobicContact CG-CE2 3.64Å; L117-F121 HydrophobicContact CG-CZ 3.98Å; L117-F121 WeakPolarHBondContact O-CD2 3.1Å; L117-F121 WeakPolarHBondContact O-CE2 3.12Å
118	M	34	Very low	34.3	Very low	100 Å²	100	116.2 Å²	116.2	49%	0.493	59%	0.593	S	S	.	*	H	α-helix	trans	-62.4	-41.7	178.6	-72.1	-68	105.6	0	0	112.9	L114 Q115 M120 F121	L114-M118 VanDerWaalsContact O-CG 3.3Å; L114-M118 WeakPolarHBondContact O-CG 3.09Å; L114-M118 PolarHBondContact O-N 3.49Å; Q115-M118 PolarHBondContact O-N 3.44Å; M118-M120 VanDerWaalsContact C-N 3.31Å; M118-M120 PolarHBondContact O-N 3.43Å; M118-F121 HydrophobicContact CE-CD2 3.95Å; M118-F121 HydrophobicContact CE-CE2 3.99Å; M118-F121 PolarHBondContact O-N 3.14Å; M118-F121 VanDerWaalsContact O-N 3.14Å
119	N	38.6	Very low	34.3	Very low	90 Å²	90	116.5 Å²	116.5	48%	0.481	60%	0.595	S	S	.	*	H	α-helix	trans	-68.7	-28.1	179.3	-76.4	-41.8	0	0	0	112.9	Q115 L117 F121 K122	Q115-N119 WeakPolarHBondContact O-CB 3.09Å; Q115-N119 PolarHBondContact O-N 3.18Å; Q115-N119 PolarHBondContact O-ND2 3.44Å; Q115-N119 VanDerWaalsContact O-ND2 3.1Å; L117-N119 PolarHBondContact O-N 3.35Å; N119-F121 PolarHBondContact O-N 3.31Å; N119-K122 PolarHBondContact O-N 3.43Å
120	M	34.4	Very low	34	Very low	114 Å²	114	121 Å²	121	56%	0.562	61%	0.609	S	S	*	*	H	α-helix	trans	-68	-19.1	172.9	-76.3	-173.3	-67.5	0	0	113.3	Q116 L117 M118	Q116-M120 WeakPolarHBondContact O-CE 3.46Å; Q116-M120 WeakPolarHBondContact O-CG 3.15Å; Q116-M120 PolarHBondContact O-N 3.01Å; Q116-M120 VanDerWaalsContact O-N 3.1Å; L117-M120 HydrophobicContact CD1-CE 4.39Å; L117-M120 PolarHBondContact O-N 3.44Å; M118-M120 VanDerWaalsContact C-N 3.31Å; M118-M120 PolarHBondContact O-N 3.43Å
121	F	35.1	Very low	34	Very low	39 Å²	39	118 Å²	118	17%	0.171	60%	0.597	C	S	.	*	H	α-helix	trans	-89.9	-14.6	-179.8	-59.7	-53.5	0	0	0	114.4	T44 L117 M118 N119 P123 F124 F125	T44-F121 HydrophobicContact CG2-CD1 3.84Å; T44-F121 HydrophobicContact CG2-CE1 3.21Å; T44-F121 HydrophobicContact CG2-CZ 3.75Å; L117-F121 HydrophobicContact CD1-CZ 4.37Å; L117-F121 HydrophobicContact CD2-CE2 4.05Å; L117-F121 HydrophobicContact CG-CE2 3.64Å; L117-F121 HydrophobicContact CG-CZ 3.98Å; L117-F121 WeakPolarHBondContact O-CD2 3.1Å; L117-F121 WeakPolarHBondContact O-CE2 3.12Å; M118-F121 HydrophobicContact CE-CD2 3.95Å; M118-F121 HydrophobicContact CE-CE2 3.99Å; M118-F121 PolarHBondContact O-N 3.14Å; M118-F121 VanDerWaalsContact O-N 3.14Å; N119-F121 PolarHBondContact O-N 3.31Å; F121-P123 VanDerWaalsContact C-N 3.28Å; F121-P123 VanDerWaalsContact O-N 3.11Å; F121-F124 PolarHBondContact O-N 2.95Å; F121-F125 HydrophobicContact CB-CE2 3.66Å; F121-F125 HydrophobicContact CB-CZ 4.28Å; F121-F125 WeakPolarHBondContact O-CD2 3.48Å; F121-F125 WeakPolarHBondContact O-CE2 3.42Å
122	K	31.1	Very low	33.7	Very low	152 Å²	152	116.7 Å²	116.7	66%	0.661	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-50.3	-36.7	-177	-135.7	172.3	-173.2	172.9	0	114.9	N119	N119-K122 PolarHBondContact O-N 3.43Å
123	P	30.2	Very low	33.7	Very low	90 Å²	90	118.2 Å²	118.2	58%	0.584	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-71.4	-24.7	177.4	-19.6	33.4	0	0	0	114.9	F121 F125	F121-P123 VanDerWaalsContact C-N 3.28Å; F121-P123 VanDerWaalsContact O-N 3.11Å; P123-F125 VanDerWaalsContact C-N 3.34Å
124	F	32.5	Very low	33.5	Very low	172 Å²	172	119.6 Å²	119.6	75%	0.754	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-85.7	-7.9	-175.5	-59.6	-80.9	0	0	0	113.3	F121 K126	F121-F124 PolarHBondContact O-N 2.95Å; F124-K126 VanDerWaalsContact C-N 3.29Å
125	F	32.5	Very low	33.9	Very low	155 Å²	155	117.2 Å²	117.2	68%	0.68	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-83.7	0.7	170.6	-62.2	-76.1	0	0	0	113.3	F121 P123 S127	F121-F125 HydrophobicContact CB-CE2 3.66Å; F121-F125 HydrophobicContact CB-CZ 4.28Å; F121-F125 WeakPolarHBondContact O-CD2 3.48Å; F121-F125 WeakPolarHBondContact O-CE2 3.42Å; P123-F125 VanDerWaalsContact C-N 3.34Å; F125-S127 PolarHBondContact O-N 3.06Å
126	K	26.8	Very low	34.1	Very low	169 Å²	169	118.5 Å²	118.5	74%	0.735	61%	0.613	S	S	*	*			trans	-77.4	79.9	170.2	-80.7	-165.6	172.6	-169.7	0	110.3	F124 D128	F124-K126 VanDerWaalsContact C-N 3.29Å; K126-D128 PolarHBondContact O-N 2.99Å
127	S	35.6	Very low	34.7	Very low	105 Å²	105	118.4 Å²	118.4	73%	0.734	62%	0.616	S	S	*	*			trans	-67.7	72.2	162.8	57.8	0	0	0	0	110.8	F125	F125-S127 PolarHBondContact O-N 3.06Å
128	D	31.2	Very low	35.2	Very low	136 Å²	136	120.4 Å²	120.4	73%	0.727	63%	0.631	S	S	*	*			trans	-119	13	171.9	-74	-32.9	0	0	0	113	K126	K126-D128 PolarHBondContact O-N 2.99Å
129	T	31.7	Very low	36.1	Very low	127 Å²	127	120.3 Å²	120.3	78%	0.779	63%	0.629	S	S	*	*			trans	-107.9	76	167.8	-32.3	0	0	0	0	109.6	I131	T129-I131 VanDerWaalsContact C-N 3.33Å; T129-I131 PolarHBondContact O-N 3.37Å
130	I	27.6	Very low	37	Very low	157 Å²	157	118.7 Å²	118.7	81%	0.805	62%	0.62	S	S	*	*			trans	-57.7	102.2	158.3	-60.6	170.7	0	0	0	105.5	S132	I130-S132 PolarHBondContact O-N 3.49Å; I130-S132 VanDerWaalsContact O-N 3.08Å
131	I	32.5	Very low	38.4	Very low	104 Å²	104	117.8 Å²	117.8	53%	0.533	62%	0.618	S	S	.	*			trans	-63.3	114.4	166.7	-64.3	-176.2	0	0	0	105.6	T129 M133 L201	T129-I131 VanDerWaalsContact C-N 3.33Å; T129-I131 PolarHBondContact O-N 3.37Å; I131-M133 PolarHBondContact O-N 2.97Å; I131-L201 HydrophobicContact CD1-CD1 3.26Å; I131-L201 HydrophobicContact CG1-CD1 4.34Å
132	S	29.4	Very low	39.9	Very low	81 Å²	81	121.6 Å²	121.6	57%	0.566	64%	0.635	S	S	*	*			trans	-47.8	124.1	176.4	-176.3	0	0	0	0	109.9	I130 D134	I130-S132 PolarHBondContact O-N 3.49Å; I130-S132 VanDerWaalsContact O-N 3.08Å; S132-D134 PolarHBondContact O-N 3.4Å
133	M	34.8	Very low	41.4	Very low	188 Å²	188	116.4 Å²	116.4	93%	0.926	61%	0.614	S	S	*	*	S	Bend	trans	-69	10.3	-175.2	-124.1	175.9	-175.6	0	0	113.9	I131 T135	I131-M133 PolarHBondContact O-N 2.97Å; M133-T135 PolarHBondContact O-N 2.93Å
134	D	35.2	Very low	43.1	Very low	152 Å²	152	115.3 Å²	115.3	81%	0.813	60%	0.602	S	S	*	*			trans	-89.9	30.6	174.3	-77.4	-28.5	0	0	0	112.6	S132 N136	S132-D134 PolarHBondContact O-N 3.4Å; D134-N136 PolarHBondContact O-N 3.24Å
135	T	43.5	Very low	44.9	Very low	49 Å²	49	112.7 Å²	112.7	30%	0.301	60%	0.596	S	S	.	*			trans	-75.8	96.6	165.4	9.3	0	0	0	0	108	M133 N137 I140	M133-T135 PolarHBondContact O-N 2.93Å; T135-N137 PolarHBondContact O-N 2.92Å; T135-I140 WeakPolarHBondContact O-CD1 3.3Å
136	N	43.7	Very low	46.6	Very low	124 Å²	124	106.9 Å²	106.9	66%	0.663	57%	0.573	S	S	*	*			trans	-38.9	127.2	177	-146.5	0.2	0	0	0	110.8	D134 T138 Q139	D134-N136 PolarHBondContact O-N 3.24Å; N136-T138 PolarHBondContact O-N 2.96Å; N136-Q139 WeakPolarHBondContact O-CB 3.22Å; N136-Q139 PolarHBondContact O-N 2.76Å
137	N	49.5	Very low	48.5	Very low	122 Å²	122	98.9 Å²	98.9	65%	0.652	54%	0.538	S	S	*	.	H	α-helix	trans	-44.9	-34.3	-171.4	-73	-20.7	0	0	0	114.2	T135 Q139 I140 D141	T135-N137 PolarHBondContact O-N 2.92Å; N137-Q139 VanDerWaalsContact C-N 3.3Å; N137-Q139 PolarHBondContact O-N 3.41Å; N137-I140 PolarHBondContact O-N 3.29Å; N137-D141 PolarHBondContact O-N 3.04Å
138	T	49.4	Very low	50.2	Low	102 Å²	102	97.4 Å²	97.4	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-57.8	-36.2	176.5	-33.7	0	0	0	0	114	N136 H142	N136-T138 PolarHBondContact O-N 2.96Å; T138-H142 PolarHBondContact O-N 2.79Å
139	Q	52.4	Low	52.3	Low	98 Å²	98	94 Å²	94	46%	0.458	50%	0.504	S	S	.	.	H	α-helix	trans	-73.7	-39.7	178.9	-172.9	171.7	1.5	0	0	110.8	N136 N137 H142 H143	N136-Q139 WeakPolarHBondContact O-CB 3.22Å; N136-Q139 PolarHBondContact O-N 2.76Å; N137-Q139 VanDerWaalsContact C-N 3.3Å; N137-Q139 PolarHBondContact O-N 3.41Å; Q139-H142 PolarHBondContact O-N 3.48Å; Q139-H143 WeakPolarHBondContact CG-NE2 3.44Å; Q139-H143 PolarHBondContact NE2-NE2 2.95Å; Q139-H143 PolarHBondContact O-CD2 2.99Å; Q139-H143 PolarHBondContact O-N 2.77Å
140	I	58.1	Low	54	Low	56 Å²	56	89.9 Å²	89.9	29%	0.287	47%	0.474	S	S	.	.	H	α-helix	trans	-61.2	-47	175.1	-63	174.7	0	0	0	110.1	T135 N137 H142 H143 I144	T135-I140 WeakPolarHBondContact O-CD1 3.3Å; N137-I140 PolarHBondContact O-N 3.29Å; I140-H142 VanDerWaalsContact C-N 3.3Å; I140-H142 PolarHBondContact O-N 2.96Å; I140-H143 PolarHBondContact O-N 3.49Å; I140-I144 HydrophobicContact CG2-CD1 3.72Å; I140-I144 HydrophobicContact CG2-CG1 4.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.25Å; I140-I144 PolarHBondContact O-N 3.25Å
141	D	63.7	Low	56	Low	96 Å²	96	83 Å²	83	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-58.7	-42.1	177	-72.7	-23.9	0	0	0	111.8	N137 I144 L145	N137-D141 PolarHBondContact O-N 3.04Å; D141-I144 PolarHBondContact O-N 3.01Å; D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 VanDerWaalsContact O-CG 3.28Å; D141-L145 WeakPolarHBondContact O-CG 2.95Å; D141-L145 PolarHBondContact O-N 2.82Å
142	H	67	Low	58.1	Low	118 Å²	118	82.2 Å²	82.2	55%	0.546	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-41.6	176.9	-174.4	69.2	0	0	0	112.9	T138 Q139 I140 L145 T146	T138-H142 PolarHBondContact O-N 2.79Å; Q139-H142 PolarHBondContact O-N 3.48Å; I140-H142 VanDerWaalsContact C-N 3.3Å; I140-H142 PolarHBondContact O-N 2.96Å; H142-L145 PolarHBondContact O-N 3.33Å; H142-T146 WeakPolarHBondContact O-CB 3.03Å; H142-T146 PolarHBondContact O-N 2.9Å; H142-T146 PolarHBondContact O-OG1 3.28Å
143	H	62.6	Low	60.4	Low	44 Å²	44	80.4 Å²	80.4	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-65.3	-42.1	175.7	-73.5	-66.5	0	0	0	111.7	Q139 I140 T146 L147 Y199 Y202	Q139-H143 WeakPolarHBondContact CG-NE2 3.44Å; Q139-H143 PolarHBondContact NE2-NE2 2.95Å; Q139-H143 PolarHBondContact O-CD2 2.99Å; Q139-H143 PolarHBondContact O-N 2.77Å; I140-H143 PolarHBondContact O-N 3.49Å; H143-T146 PolarHBondContact O-N 3.28Å; H143-L147 WeakPolarHBondContact O-CB 3.39Å; H143-L147 PolarHBondContact O-N 2.89Å; H143-Y199 HydrophobicContact CB-CE1 4.01Å; H143-Y199 AromaticContact ND1-CE1 3.39Å; H143-Y199 WeakPolarHBondContact ND1-CE1 3.45Å; H143-Y202 HydrophobicContact CB-CE1 4.26Å; H143-Y202 HydrophobicContact CB-CE2 3.95Å; H143-Y202 VanDerWaalsContact CB-OH 3.3Å; H143-Y202 WeakPolarHBondContact CB-OH 3.3Å
144	I	66.3	Low	62.1	Low	66 Å²	66	71.4 Å²	71.4	34%	0.338	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-46.6	176.7	-69.3	170.3	0	0	0	110.7	I140 D141 T146 L147 N148	I140-I144 HydrophobicContact CG2-CD1 3.72Å; I140-I144 HydrophobicContact CG2-CG1 4.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.25Å; I140-I144 PolarHBondContact O-N 3.25Å; D141-I144 PolarHBondContact O-N 3.01Å; I144-T146 PolarHBondContact O-N 3.26Å; I144-L147 PolarHBondContact O-N 3.42Å; I144-N148 WeakPolarHBondContact O-CB 3.2Å; I144-N148 VanDerWaalsContact O-CG 3.32Å; I144-N148 PolarHBondContact O-N 3.49Å; I144-N148 PolarHBondContact O-ND2 3.45Å
145	L	69.5	Low	64.1	Low	118 Å²	118	66.9 Å²	66.9	62%	0.618	35%	0.349	S	S	*	.	H	α-helix	trans	-61.1	-44.2	177.4	-73.5	173.1	0	0	0	111.9	D141 H142 N148 D149	D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 VanDerWaalsContact O-CG 3.28Å; D141-L145 WeakPolarHBondContact O-CG 2.95Å; D141-L145 PolarHBondContact O-N 2.82Å; H142-L145 PolarHBondContact O-N 3.33Å; L145-N148 PolarHBondContact O-N 3.1Å; L145-D149 PolarHBondContact O-N 3.13Å
146	T	69.2	Low	65.8	Low	33 Å²	33	71.9 Å²	71.9	20%	0.202	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-43.4	179.1	-55.8	0	0	0	0	111.3	H142 H143 I144 N148 D149 Y150 Y199	H142-T146 WeakPolarHBondContact O-CB 3.03Å; H142-T146 PolarHBondContact O-N 2.9Å; H142-T146 PolarHBondContact O-OG1 3.28Å; H143-T146 PolarHBondContact O-N 3.28Å; I144-T146 PolarHBondContact O-N 3.26Å; T146-N148 VanDerWaalsContact C-N 3.34Å; T146-N148 PolarHBondContact O-N 3.41Å; T146-D149 WeakPolarHBondContact O-CB 3.46Å; T146-D149 PolarHBondContact O-N 2.71Å; T146-Y150 HydrophobicContact CG2-CD2 4.09Å; T146-Y150 HydrophobicContact CG2-CE2 3.87Å; T146-Y150 VanDerWaalsContact O-CD2 3.27Å; T146-Y150 WeakPolarHBondContact O-CD2 3.42Å; T146-Y150 PolarHBondContact O-N 2.9Å; T146-Y150 VanDerWaalsContact O-N 3.14Å; T146-Y199 WeakPolarHBondContact CB-OH 3.5Å; T146-Y199 HydrophobicContact CG2-CE2 4.45Å; T146-Y199 WeakPolarHBondContact CG2-OH 3.28Å
147	L	64.8	Low	67.4	Low	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-42.5	176	-177	61.6	0	0	0	111.6	H143 I144 D149 Y150 L151 V195 Y202 C204	H143-L147 WeakPolarHBondContact O-CB 3.39Å; H143-L147 PolarHBondContact O-N 2.89Å; I144-L147 PolarHBondContact O-N 3.42Å; L147-D149 VanDerWaalsContact C-N 3.3Å; L147-D149 PolarHBondContact O-N 3.41Å; L147-Y150 CarbonylContact O-C 3.26Å; L147-Y150 PolarHBondContact O-N 2.94Å; L147-Y150 VanDerWaalsContact O-N 3.08Å; L147-L151 HydrophobicContact CG-CD1 4.43Å; L147-L151 HydrophobicContact CG-CG 4.45Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 2.99Å; L147-V195 HydrophobicContact CD1-CG1 4.3Å; L147-Y202 HydrophobicContact CD2-CG 4.4Å; L147-C204 HydrophobicContact CD2-CB 3.51Å; L147-C204 WeakPolarHBondContact CD2-SG 3.47Å
148	N	71.8	Confident	68.8	Low	73 Å²	73	61 Å²	61	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-59.6	-38	174.7	-77.7	-28.9	0	0	0	112.5	I144 L145 T146 Y150 L151 N152	I144-N148 WeakPolarHBondContact O-CB 3.2Å; I144-N148 VanDerWaalsContact O-CG 3.32Å; I144-N148 PolarHBondContact O-N 3.49Å; I144-N148 PolarHBondContact O-ND2 3.45Å; L145-N148 PolarHBondContact O-N 3.1Å; T146-N148 VanDerWaalsContact C-N 3.34Å; T146-N148 PolarHBondContact O-N 3.41Å; N148-Y150 PolarHBondContact O-N 2.85Å; N148-L151 PolarHBondContact O-N 2.92Å; N148-N152 VanDerWaalsContact O-CG 3.24Å; N148-N152 PolarHBondContact O-N 3.43Å; N148-N152 PolarHBondContact O-ND2 2.85Å
149	D	75.1	Confident	70.3	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.353	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-41.5	172.6	-178.6	52.6	0	0	0	112.1	L145 T146 L147 N152 K153	L145-D149 PolarHBondContact O-N 3.13Å; T146-D149 WeakPolarHBondContact O-CB 3.46Å; T146-D149 PolarHBondContact O-N 2.71Å; L147-D149 VanDerWaalsContact C-N 3.3Å; L147-D149 PolarHBondContact O-N 3.41Å; D149-N152 PolarHBondContact O-N 3.37Å; D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 3.19Å; D149-K153 WeakPolarHBondContact OD2-CE 3.39Å; D149-K153 IonicContact OD2-NZ 2.83Å; D149-K153 PolarHBondContact OD2-NZ 3.36Å
150	Y	69	Low	71.6	Confident	39 Å²	39	59.1 Å²	59.1	15%	0.153	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-39.2	173.6	-79.1	-78.1	0	0	0	112.9	T146 L147 N148 N152 K153 F154 H191 V194 V195	T146-Y150 HydrophobicContact CG2-CD2 4.09Å; T146-Y150 HydrophobicContact CG2-CE2 3.87Å; T146-Y150 VanDerWaalsContact O-CD2 3.27Å; T146-Y150 WeakPolarHBondContact O-CD2 3.42Å; T146-Y150 PolarHBondContact O-N 2.9Å; T146-Y150 VanDerWaalsContact O-N 3.14Å; L147-Y150 CarbonylContact O-C 3.26Å; L147-Y150 PolarHBondContact O-N 2.94Å; L147-Y150 VanDerWaalsContact O-N 3.08Å; N148-Y150 PolarHBondContact O-N 2.85Å; Y150-N152 VanDerWaalsContact C-N 3.25Å; Y150-N152 PolarHBondContact O-N 3.36Å; Y150-K153 HydrophobicContact CD1-CD 3.95Å; Y150-K153 HydrophobicContact CE1-CD 4.12Å; Y150-K153 WeakPolarHBondContact O-CA 3.31Å; Y150-K153 WeakPolarHBondContact O-CB 3.41Å; Y150-K153 PolarHBondContact O-N 3.16Å; Y150-K153 VanDerWaalsContact O-N 3.08Å; Y150-F154 WeakPolarHBondContact O-CD2 3.47Å; Y150-F154 PolarHBondContact O-N 3.26Å; Y150-H191 HydrophobicContact CD1-CB 4.48Å; Y150-V194 HydrophobicContact CE1-CB 3.95Å; Y150-V194 HydrophobicContact CE1-CG1 3.87Å; Y150-V194 HydrophobicContact CE2-CG1 3.77Å; Y150-V194 VanDerWaalsContact OH-CG1 3.28Å; Y150-V194 WeakPolarHBondContact OH-CG1 3.19Å; Y150-V195 HydrophobicContact CD1-CG2 3.96Å; Y150-V195 HydrophobicContact CD2-CG2 4.44Å; Y150-V195 HydrophobicContact CG-CG2 3.76Å
151	L	68.3	Low	72.5	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-37.2	172.9	-66.9	177.1	0	0	0	111.9	L147 N148 F154 D155 L207 K210	L147-L151 HydrophobicContact CG-CD1 4.43Å; L147-L151 HydrophobicContact CG-CG 4.45Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 2.99Å; N148-L151 PolarHBondContact O-N 2.92Å; L151-F154 PolarHBondContact O-N 3.35Å; L151-D155 PolarHBondContact O-N 3.06Å; L151-D155 VanDerWaalsContact O-N 3.14Å; L151-L207 HydrophobicContact CD2-CB 3.87Å; L151-L207 HydrophobicContact CD2-CD1 3.79Å; L151-L207 HydrophobicContact CD2-CG 4.47Å; L151-K210 HydrophobicContact CB-CD 4.1Å; L151-K210 HydrophobicContact CD2-CD 3.67Å; L151-K210 HydrophobicContact CG-CD 4.45Å; L151-K210 PolarHBondContact O-NZ 2.99Å
152	N	77.3	Confident	73.3	Confident	88 Å²	88	56.6 Å²	56.6	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-72.2	-32.6	173.9	-69	-26.4	0	0	0	112.5	N148 D149 Y150 D155 R156	N148-N152 VanDerWaalsContact O-CG 3.24Å; N148-N152 PolarHBondContact O-N 3.43Å; N148-N152 PolarHBondContact O-ND2 2.85Å; D149-N152 PolarHBondContact O-N 3.37Å; Y150-N152 VanDerWaalsContact C-N 3.25Å; Y150-N152 PolarHBondContact O-N 3.36Å; N152-D155 PolarHBondContact O-N 3.34Å; N152-R156 WeakPolarHBondContact O-CG 3.26Å; N152-R156 PolarHBondContact O-N 2.86Å; N152-R156 VanDerWaalsContact O-N 3.08Å
153	K	77.3	Confident	73.9	Confident	43 Å²	43	57.1 Å²	57.1	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-40.4	170.6	-72.1	169.5	-171.6	157.9	0	111.4	D149 Y150 R156 W157	D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 3.19Å; D149-K153 WeakPolarHBondContact OD2-CE 3.39Å; D149-K153 IonicContact OD2-NZ 2.83Å; D149-K153 PolarHBondContact OD2-NZ 3.36Å; Y150-K153 HydrophobicContact CD1-CD 3.95Å; Y150-K153 HydrophobicContact CE1-CD 4.12Å; Y150-K153 WeakPolarHBondContact O-CA 3.31Å; Y150-K153 WeakPolarHBondContact O-CB 3.41Å; Y150-K153 PolarHBondContact O-N 3.16Å; Y150-K153 VanDerWaalsContact O-N 3.08Å; K153-R156 VanDerWaalsContact CG-NH2 3.28Å; K153-R156 PolarHBondContact O-N 3.3Å; K153-W157 WeakPolarHBondContact O-CB 3.36Å; K153-W157 PolarHBondContact O-N 2.98Å
154	F	71.3	Confident	74.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-40.7	172.9	-69.4	-58.8	0	0	0	112.1	Y150 L151 R156 W157 I158 L188 H191 L192 V195 L207 K210 V214	Y150-F154 WeakPolarHBondContact O-CD2 3.47Å; Y150-F154 PolarHBondContact O-N 3.26Å; L151-F154 PolarHBondContact O-N 3.35Å; F154-R156 PolarHBondContact O-N 3.07Å; F154-W157 WeakPolarHBondContact O-CB 3.36Å; F154-W157 PolarHBondContact O-N 3.25Å; F154-I158 WeakPolarHBondContact O-CB 3.24Å; F154-I158 VanDerWaalsContact O-CG1 3.24Å; F154-I158 WeakPolarHBondContact O-CG1 3.3Å; F154-I158 PolarHBondContact O-N 3.43Å; F154-L188 HydrophobicContact CD1-CD1 4.04Å; F154-L188 HydrophobicContact CE1-CD1 3.8Å; F154-H191 HydrophobicContact CD1-CB 4.48Å; F154-H191 HydrophobicContact CE1-CB 3.75Å; F154-H191 HydrophobicContact CZ-CB 3.95Å; F154-L192 HydrophobicContact CE1-CD2 3.73Å; F154-L192 HydrophobicContact CE1-CG 4.12Å; F154-L192 HydrophobicContact CZ-CD2 3.76Å; F154-L192 HydrophobicContact CZ-CG 4.38Å; F154-V195 HydrophobicContact CE2-CG2 3.99Å; F154-V195 HydrophobicContact CZ-CG2 4.2Å; F154-L207 HydrophobicContact CD2-CD1 4.31Å; F154-L207 HydrophobicContact CE2-CD1 3.77Å; F154-K210 HydrophobicContact CB-CB 4.39Å; F154-K210 HydrophobicContact CB-CD 4.12Å; F154-V214 HydrophobicContact CD1-CG2 4.1Å
155	D	76.4	Confident	74.8	Confident	57 Å²	57	52.6 Å²	52.6	31%	0.305	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.3	-69.1	-27	0	0	0	112.5	L151 N152 W157 I158 N159 K210	L151-D155 PolarHBondContact O-N 3.06Å; L151-D155 VanDerWaalsContact O-N 3.14Å; N152-D155 PolarHBondContact O-N 3.34Å; D155-W157 VanDerWaalsContact C-N 3.29Å; D155-W157 PolarHBondContact O-N 2.94Å; D155-I158 PolarHBondContact O-N 2.91Å; D155-N159 WeakPolarHBondContact O-CB 3.25Å; D155-N159 VanDerWaalsContact O-CG 3.31Å; D155-N159 PolarHBondContact O-N 3.5Å; D155-N159 PolarHBondContact O-ND2 2.98Å; D155-K210 IonicContact OD1-NZ 2.65Å; D155-K210 PolarHBondContact OD1-NZ 3.3Å; D155-K210 IonicContact OD2-NZ 3.9Å; D155-K210 PolarHBondContact OD2-NZ 2.83Å
156	R	79.3	Confident	75.3	Confident	154 Å²	154	52 Å²	52	58%	0.581	25%	0.249	S	C	*	.	H	α-helix	trans	-59.8	-42.9	175.3	-74.5	-175.3	-73.2	-164.5	-5.2	111.4	N152 K153 F154 K160	N152-R156 WeakPolarHBondContact O-CG 3.26Å; N152-R156 PolarHBondContact O-N 2.86Å; N152-R156 VanDerWaalsContact O-N 3.08Å; K153-R156 VanDerWaalsContact CG-NH2 3.28Å; K153-R156 PolarHBondContact O-N 3.3Å; F154-R156 PolarHBondContact O-N 3.07Å; R156-K160 WeakPolarHBondContact O-CB 3.46Å; R156-K160 PolarHBondContact O-N 3.3Å
157	W	78	Confident	75.6	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-48.4	175.8	-175	92.3	0	0	0	111.7	K153 F154 D155 N159 K160 T161 Q184 L188 V214 L217 L218	K153-W157 WeakPolarHBondContact O-CB 3.36Å; K153-W157 PolarHBondContact O-N 2.98Å; F154-W157 WeakPolarHBondContact O-CB 3.36Å; F154-W157 PolarHBondContact O-N 3.25Å; D155-W157 VanDerWaalsContact C-N 3.29Å; D155-W157 PolarHBondContact O-N 2.94Å; W157-N159 VanDerWaalsContact C-N 3.3Å; W157-N159 PolarHBondContact O-N 3.23Å; W157-K160 PolarHBondContact O-N 2.76Å; W157-T161 HydrophobicContact CH2-CG2 4.01Å; W157-T161 WeakPolarHBondContact CH2-OG1 3.35Å; W157-T161 HydrophobicContact CZ2-CG2 4.5Å; W157-T161 WeakPolarHBondContact CZ2-OG1 3.36Å; W157-T161 HydrophobicContact CZ3-CG2 4.29Å; W157-T161 WeakPolarHBondContact O-CB 3.39Å; W157-T161 PolarHBondContact O-N 3Å; W157-T161 PolarHBondContact O-OG1 3.48Å; W157-T161 VanDerWaalsContact O-OG1 3.11Å; W157-Q184 PolarHBondContact NE1-O 2.88Å; W157-L188 HydrophobicContact CD2-CD1 4.4Å; W157-L188 HydrophobicContact CH2-CD2 4.13Å; W157-L188 HydrophobicContact CZ2-CB 4.25Å; W157-L188 HydrophobicContact CZ2-CD2 3.79Å; W157-L188 HydrophobicContact CZ2-CG 4.48Å; W157-V214 HydrophobicContact CE3-CB 4.45Å; W157-V214 HydrophobicContact CE3-CG1 4.36Å; W157-V214 HydrophobicContact CE3-CG2 3.79Å; W157-V214 HydrophobicContact CH2-CG1 4.11Å; W157-V214 HydrophobicContact CZ3-CB 4.04Å; W157-V214 HydrophobicContact CZ3-CG1 3.88Å; W157-V214 HydrophobicContact CZ3-CG2 3.87Å; W157-L217 HydrophobicContact CH2-CB 4.37Å; W157-L217 HydrophobicContact CZ3-CB 4.09Å; W157-L217 HydrophobicContact CZ3-CD1 4.38Å; W157-L218 HydrophobicContact CH2-CD2 3.65Å; W157-L218 HydrophobicContact CH2-CG 3.85Å; W157-L218 HydrophobicContact CZ2-CD2 3.64Å; W157-L218 HydrophobicContact CZ2-CG 4.3Å
158	I	77.4	Confident	75.8	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-54.8	-47.8	177.8	-76.7	165.6	0	0	0	110.5	F154 D155 T161 K162 T213 V214 L217	F154-I158 WeakPolarHBondContact O-CB 3.24Å; F154-I158 VanDerWaalsContact O-CG1 3.24Å; F154-I158 WeakPolarHBondContact O-CG1 3.3Å; F154-I158 PolarHBondContact O-N 3.43Å; D155-I158 PolarHBondContact O-N 2.91Å; I158-T161 PolarHBondContact O-N 3.03Å; I158-K162 HydrophobicContact CG2-CD 4.35Å; I158-K162 WeakPolarHBondContact O-CG 3.13Å; I158-K162 PolarHBondContact O-N 2.92Å; I158-T213 HydrophobicContact CD1-CG2 3.78Å; I158-T213 HydrophobicContact CG1-CG2 4.12Å; I158-T213 HydrophobicContact CG2-CG2 4.3Å; I158-V214 HydrophobicContact CD1-CG2 4.27Å; I158-V214 HydrophobicContact CG1-CG2 4.05Å; I158-L217 HydrophobicContact CB-CD1 4Å; I158-L217 HydrophobicContact CG1-CD1 3.9Å; I158-L217 HydrophobicContact CG2-CD1 3.67Å
159	N	82.6	Confident	75.7	Confident	95 Å²	95	53.1 Å²	53.1	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-43	179.6	-70.7	-25.4	0	0	0	111.9	D155 W157 K162 M163	D155-N159 WeakPolarHBondContact O-CB 3.25Å; D155-N159 VanDerWaalsContact O-CG 3.31Å; D155-N159 PolarHBondContact O-N 3.5Å; D155-N159 PolarHBondContact O-ND2 2.98Å; W157-N159 VanDerWaalsContact C-N 3.3Å; W157-N159 PolarHBondContact O-N 3.23Å; N159-K162 PolarHBondContact O-N 3.36Å; N159-M163 WeakPolarHBondContact O-CG 3.2Å; N159-M163 PolarHBondContact O-N 3.39Å
160	K	79	Confident	75.7	Confident	67 Å²	67	56.5 Å²	56.5	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-43.8	175.8	-173	166.2	171.2	-168	0	111.2	R156 W157 K162 M163 I164 E183 Q184	R156-K160 WeakPolarHBondContact O-CB 3.46Å; R156-K160 PolarHBondContact O-N 3.3Å; W157-K160 PolarHBondContact O-N 2.76Å; K160-K162 PolarHBondContact O-N 2.95Å; K160-M163 PolarHBondContact O-N 3.5Å; K160-I164 HydrophobicContact CG-CD1 4.07Å; K160-I164 WeakPolarHBondContact O-CD1 3.3Å; K160-I164 VanDerWaalsContact O-CG1 3.23Å; K160-I164 WeakPolarHBondContact O-CG1 3.24Å; K160-I164 PolarHBondContact O-N 2.88Å; K160-E183 IonicContact NZ-OE1 3.81Å; K160-E183 PolarHBondContact NZ-OE1 3.4Å; K160-E183 IonicContact NZ-OE2 2.68Å; K160-Q184 VanDerWaalsContact CD-CD 3.47Å; K160-Q184 HydrophobicContact CD-CG 4.44Å; K160-Q184 HydrophobicContact CG-CG 4.42Å
161	T	76.1	Confident	75.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-42.2	176.7	-62.2	0	0	0	0	112.3	W157 I158 M163 I164 N165 L217 Q221	W157-T161 HydrophobicContact CH2-CG2 4.01Å; W157-T161 WeakPolarHBondContact CH2-OG1 3.35Å; W157-T161 HydrophobicContact CZ2-CG2 4.5Å; W157-T161 WeakPolarHBondContact CZ2-OG1 3.36Å; W157-T161 HydrophobicContact CZ3-CG2 4.29Å; W157-T161 WeakPolarHBondContact O-CB 3.39Å; W157-T161 PolarHBondContact O-N 3Å; W157-T161 PolarHBondContact O-OG1 3.48Å; W157-T161 VanDerWaalsContact O-OG1 3.11Å; I158-T161 PolarHBondContact O-N 3.03Å; T161-M163 PolarHBondContact O-N 3.3Å; T161-I164 PolarHBondContact O-N 2.92Å; T161-N165 WeakPolarHBondContact O-CB 3.42Å; T161-N165 VanDerWaalsContact O-CG 3.23Å; T161-N165 PolarHBondContact O-N 3.47Å; T161-L217 HydrophobicContact CG2-CB 3.9Å; T161-Q221 HydrophobicContact CG2-CB 4.31Å
162	K	80.3	Confident	75.4	Confident	98 Å²	98	65.4 Å²	65.4	43%	0.426	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-46.7	173.6	-75.1	176.7	178.2	179	0	111.8	I158 N159 K160 I164 N165 E166 L217	I158-K162 HydrophobicContact CG2-CD 4.35Å; I158-K162 WeakPolarHBondContact O-CG 3.13Å; I158-K162 PolarHBondContact O-N 2.92Å; N159-K162 PolarHBondContact O-N 3.36Å; K160-K162 PolarHBondContact O-N 2.95Å; K162-I164 VanDerWaalsContact C-N 3.33Å; K162-I164 PolarHBondContact O-N 3.3Å; K162-N165 PolarHBondContact O-N 2.94Å; K162-E166 WeakPolarHBondContact O-CG 3.42Å; K162-E166 PolarHBondContact O-N 3.05Å; K162-L217 HydrophobicContact CG-CD1 4.4Å; K162-L217 HydrophobicContact CG-CD2 3.81Å
163	M	80.8	Confident	74.4	Confident	130 Å²	130	65.9 Å²	65.9	64%	0.64	32%	0.319	S	S	*	.	H	α-helix	trans	-61.1	-39.9	176.8	-71.3	-176.8	67.7	0	0	112.8	N159 K160 T161 S167	N159-M163 WeakPolarHBondContact O-CG 3.2Å; N159-M163 PolarHBondContact O-N 3.39Å; K160-M163 PolarHBondContact O-N 3.5Å; T161-M163 PolarHBondContact O-N 3.3Å; M163-S167 WeakPolarHBondContact O-CB 3.36Å; M163-S167 PolarHBondContact O-N 2.94Å; M163-S167 PolarHBondContact O-OG 2.75Å
164	I	72.8	Confident	73.5	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-49.4	175.5	-66.4	162.3	0	0	0	110	K160 T161 K162 E166 S167 I168 L180 I181 Q184	K160-I164 HydrophobicContact CG-CD1 4.07Å; K160-I164 WeakPolarHBondContact O-CD1 3.3Å; K160-I164 VanDerWaalsContact O-CG1 3.23Å; K160-I164 WeakPolarHBondContact O-CG1 3.24Å; K160-I164 PolarHBondContact O-N 2.88Å; T161-I164 PolarHBondContact O-N 2.92Å; K162-I164 VanDerWaalsContact C-N 3.33Å; K162-I164 PolarHBondContact O-N 3.3Å; I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 2.94Å; I164-S167 CarbonylContact O-C 3.54Å; I164-S167 WeakPolarHBondContact O-CA 3.25Å; I164-S167 WeakPolarHBondContact O-CB 3.5Å; I164-S167 PolarHBondContact O-N 3.42Å; I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 HydrophobicContact CG2-CG1 4.22Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 2.94Å; I164-L180 HydrophobicContact CD1-CD1 4.21Å; I164-L180 HydrophobicContact CD1-CD2 3.94Å; I164-L180 HydrophobicContact CD1-CG 3.59Å; I164-L180 HydrophobicContact CG1-CD2 3.55Å; I164-L180 HydrophobicContact CG1-CG 3.83Å; I164-L180 HydrophobicContact CG2-CD2 4.41Å; I164-I181 HydrophobicContact CG2-CG1 4.49Å; I164-Q184 HydrophobicContact CD1-CG 3.63Å
165	N	73.8	Confident	72.9	Confident	9 Å²	9	77.9 Å²	77.9	5%	0.048	37%	0.371	C	S	.	.	H	α-helix	trans	-59.8	-42.6	-179.9	-71.1	-9.7	0	0	0	111.7	T161 K162 S167 I168 N169 Q221	T161-N165 WeakPolarHBondContact O-CB 3.42Å; T161-N165 VanDerWaalsContact O-CG 3.23Å; T161-N165 PolarHBondContact O-N 3.47Å; K162-N165 PolarHBondContact O-N 2.94Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 2.69Å; N165-I168 PolarHBondContact O-N 2.97Å; N165-N169 WeakPolarHBondContact O-CB 3.37Å; N165-N169 PolarHBondContact O-N 3.18Å; N165-N169 PolarHBondContact O-ND2 3.22Å; N165-Q221 VanDerWaalsContact OD1-CA 3.25Å; N165-Q221 WeakPolarHBondContact OD1-CA 3.05Å; N165-Q221 VanDerWaalsContact OD1-CB 3.25Å; N165-Q221 WeakPolarHBondContact OD1-CB 3.31Å; N165-Q221 VanDerWaalsContact OD1-CG 3.3Å; N165-Q221 WeakPolarHBondContact OD1-CG 3.3Å
166	E	80	Confident	72.5	Confident	106 Å²	106	80.3 Å²	80.3	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-42.1	172.3	-75.6	-176.7	-158.8	0	0	112.5	K162 I164 N169 K170	K162-E166 WeakPolarHBondContact O-CG 3.42Å; K162-E166 PolarHBondContact O-N 3.05Å; I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 2.94Å; E166-N169 PolarHBondContact O-N 3.33Å; E166-K170 WeakPolarHBondContact O-CB 3.41Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.34Å; E166-K170 IonicContact OE2-NZ 2.7Å
167	S	76.1	Confident	71.8	Confident	23 Å²	23	73.3 Å²	73.3	16%	0.161	36%	0.358	C	S	.	.	H	α-helix	trans	-66.4	-39.8	179.5	-59	0	0	0	0	111.7	M163 I164 N165 K170 R171 Q172 Y177	M163-S167 WeakPolarHBondContact O-CB 3.36Å; M163-S167 PolarHBondContact O-N 2.94Å; M163-S167 PolarHBondContact O-OG 2.75Å; I164-S167 CarbonylContact O-C 3.54Å; I164-S167 WeakPolarHBondContact O-CA 3.25Å; I164-S167 WeakPolarHBondContact O-CB 3.5Å; I164-S167 PolarHBondContact O-N 3.42Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 2.69Å; S167-K170 PolarHBondContact O-N 3.43Å; S167-R171 PolarHBondContact O-N 3.31Å; S167-Q172 PolarHBondContact O-N 3.26Å; S167-Y177 PolarHBondContact O-OH 2.89Å
168	I	68.3	Low	71.1	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.015	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-48.6	173.1	-68.7	170.3	0	0	0	109.8	I164 N165 K170 R171 Y177 I181 S224 F228	I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 HydrophobicContact CG2-CG1 4.22Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 2.94Å; N165-I168 PolarHBondContact O-N 2.97Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 2.72Å; I168-R171 WeakPolarHBondContact O-CA 3.26Å; I168-R171 PolarHBondContact O-N 2.97Å; I168-Y177 HydrophobicContact CB-CD1 4.49Å; I168-Y177 HydrophobicContact CB-CE1 4.26Å; I168-Y177 HydrophobicContact CD1-CD1 4.08Å; I168-Y177 HydrophobicContact CD1-CG 4.49Å; I168-Y177 HydrophobicContact CG1-CD1 3.27Å; I168-Y177 HydrophobicContact CG1-CE1 3.44Å; I168-Y177 VanDerWaalsContact CG1-CE1 3.44Å; I168-Y177 HydrophobicContact CG1-CG 3.84Å; I168-I181 HydrophobicContact CD1-CD1 4.2Å; I168-S224 WeakPolarHBondContact CG2-O 3.46Å; I168-F228 HydrophobicContact CG2-CB 3.56Å; I168-F228 HydrophobicContact CG2-CD2 4.28Å; I168-F228 HydrophobicContact CG2-CG 4.04Å
169	N	70.2	Confident	70.5	Confident	105 Å²	105	79.8 Å²	79.8	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-37.5	179.1	-72.7	-15.2	0	0	0	112.3	N165 E166 R171	N165-N169 WeakPolarHBondContact O-CB 3.37Å; N165-N169 PolarHBondContact O-N 3.18Å; N165-N169 PolarHBondContact O-ND2 3.22Å; E166-N169 PolarHBondContact O-N 3.33Å; N169-R171 PolarHBondContact O-N 3.1Å
170	K	76.2	Confident	69.8	Low	137 Å²	137	76.9 Å²	76.9	60%	0.596	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.2	173.9	-71.8	171.7	-178.5	164.6	0	113.6	E166 S167 I168 Q172	E166-K170 WeakPolarHBondContact O-CB 3.41Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.34Å; E166-K170 IonicContact OE2-NZ 2.7Å; S167-K170 PolarHBondContact O-N 3.43Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 2.72Å; K170-Q172 HydrophobicContact CB-CG 3.93Å; K170-Q172 PolarHBondContact O-N 3.43Å
171	R	67.8	Low	69.2	Low	152 Å²	152	73.9 Å²	73.9	57%	0.574	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	40.9	-176.8	-58.9	-174.2	178.2	-165.8	0.2	113.3	S167 I168 N169 A173 F228	S167-R171 PolarHBondContact O-N 3.31Å; I168-R171 WeakPolarHBondContact O-CA 3.26Å; I168-R171 PolarHBondContact O-N 2.97Å; N169-R171 PolarHBondContact O-N 3.1Å; R171-A173 PolarHBondContact O-N 2.8Å; R171-F228 HydrophobicContact CB-CE2 4.35Å; R171-F228 HydrophobicContact CG-CD2 4.3Å; R171-F228 HydrophobicContact CG-CE2 4.44Å
172	Q	61.5	Low	68.6	Low	86 Å²	86	74.6 Å²	74.6	40%	0.402	36%	0.364	S	S	.	.			trans	-71.5	98	180	-68.3	-174.3	-9.7	0	0	111.3	S167 K170 K174 F175 Y177	S167-Q172 PolarHBondContact O-N 3.26Å; K170-Q172 HydrophobicContact CB-CG 3.93Å; K170-Q172 PolarHBondContact O-N 3.43Å; Q172-K174 PolarHBondContact O-N 3.11Å; Q172-F175 HydrophobicContact CB-CD2 4.32Å; Q172-F175 HydrophobicContact CB-CE2 4.48Å; Q172-F175 PolarHBondContact O-N 2.82Å; Q172-Y177 WeakPolarHBondContact CA-OH 3.28Å; Q172-Y177 PolarHBondContact N-OH 3.37Å; Q172-Y177 PolarHBondContact O-OH 2.9Å
173	A	57.4	Low	68.1	Low	98 Å²	98	73 Å²	73	81%	0.81	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-4.6	-173.4	0	0	0	0	0	117.2	R171	R171-A173 PolarHBondContact O-N 2.8Å
174	K	57.4	Low	67.6	Low	200 Å²	200	66.8 Å²	66.8	87%	0.87	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.9	-175.9	-69.2	-172.2	178.4	-177.6	0	114.6	Q172	Q172-K174 PolarHBondContact O-N 3.11Å
175	F	59.1	Low	67.3	Low	94 Å²	94	67 Å²	67	41%	0.412	33%	0.328	S	S	.	.			trans	-103.9	130.5	-174.2	-65.4	-73.9	0	0	0	112	Q172 Y177 L180	Q172-F175 HydrophobicContact CB-CD2 4.32Å; Q172-F175 HydrophobicContact CB-CE2 4.48Å; Q172-F175 PolarHBondContact O-N 2.82Å; F175-Y177 HydrophobicContact CB-CD1 3.82Å; F175-Y177 HydrophobicContact CB-CD2 4.45Å; F175-Y177 HydrophobicContact CB-CE1 3.66Å; F175-Y177 HydrophobicContact CB-CE2 4.29Å; F175-Y177 HydrophobicContact CB-CG 4.25Å; F175-Y177 HydrophobicContact CD2-CE1 4.25Å; F175-Y177 HydrophobicContact CG-CE1 4.31Å; F175-Y177 VanDerWaalsContact O-CD2 3.28Å; F175-Y177 WeakPolarHBondContact O-CD2 3.32Å; F175-Y177 PolarHBondContact O-N 3.09Å; F175-L180 HydrophobicContact CD1-CD2 4.45Å
176	N	69.4	Low	67.2	Low	108 Å²	108	70.5 Å²	70.5	58%	0.578	35%	0.346	S	S	*	.			trans	-73.6	82.4	160.1	-174.1	-14.4	0	0	0	108.2	I178 H179 L180	N176-I178 PolarHBondContact O-N 3.13Å; N176-H179 HydrophobicContact CB-CB 4.06Å; N176-H179 PolarHBondContact O-N 2.89Å; N176-H179 VanDerWaalsContact O-N 3.16Å; N176-H179 PolarHBondContact OD1-N 2.83Å; N176-L180 PolarHBondContact O-N 3.32Å
177	Y	64.6	Low	66.8	Low	8 Å²	8	68.6 Å²	68.6	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-34.7	-175.3	-63.5	-71	0	0	0	112.5	S167 I168 Q172 F175 L180 I181 F228	S167-Y177 PolarHBondContact O-OH 2.89Å; I168-Y177 HydrophobicContact CB-CD1 4.49Å; I168-Y177 HydrophobicContact CB-CE1 4.26Å; I168-Y177 HydrophobicContact CD1-CD1 4.08Å; I168-Y177 HydrophobicContact CD1-CG 4.49Å; I168-Y177 HydrophobicContact CG1-CD1 3.27Å; I168-Y177 HydrophobicContact CG1-CE1 3.44Å; I168-Y177 VanDerWaalsContact CG1-CE1 3.44Å; I168-Y177 HydrophobicContact CG1-CG 3.84Å; Q172-Y177 WeakPolarHBondContact CA-OH 3.28Å; Q172-Y177 PolarHBondContact N-OH 3.37Å; Q172-Y177 PolarHBondContact O-OH 2.9Å; F175-Y177 HydrophobicContact CB-CD1 3.82Å; F175-Y177 HydrophobicContact CB-CD2 4.45Å; F175-Y177 HydrophobicContact CB-CE1 3.66Å; F175-Y177 HydrophobicContact CB-CE2 4.29Å; F175-Y177 HydrophobicContact CB-CG 4.25Å; F175-Y177 HydrophobicContact CD2-CE1 4.25Å; F175-Y177 HydrophobicContact CG-CE1 4.31Å; F175-Y177 VanDerWaalsContact O-CD2 3.28Å; F175-Y177 WeakPolarHBondContact O-CD2 3.32Å; F175-Y177 PolarHBondContact O-N 3.09Å; Y177-L180 PolarHBondContact O-N 3.49Å; Y177-I181 WeakPolarHBondContact O-CB 3.46Å; Y177-I181 WeakPolarHBondContact O-CD1 3.39Å; Y177-I181 WeakPolarHBondContact O-CG1 3.1Å; Y177-I181 PolarHBondContact O-N 2.9Å; Y177-F228 HydrophobicContact CD2-CD1 4.27Å; Y177-F228 AromaticContact CD2-CE1 3.7Å; Y177-F228 HydrophobicContact CD2-CE1 3.7Å; Y177-F228 HydrophobicContact CD2-CE2 4.34Å; Y177-F228 AromaticContact CD2-CZ 3.75Å; Y177-F228 HydrophobicContact CD2-CZ 3.75Å; Y177-F228 HydrophobicContact CE2-CD2 4.47Å; Y177-F228 AromaticContact CE2-CE1 3.99Å; Y177-F228 HydrophobicContact CE2-CE1 3.99Å; Y177-F228 AromaticContact CE2-CE2 3.8Å; Y177-F228 HydrophobicContact CE2-CE2 3.8Å; Y177-F228 AromaticContact CE2-CZ 3.52Å; Y177-F228 HydrophobicContact CE2-CZ 3.52Å
178	I	63.3	Low	66.5	Low	31 Å²	31	67.8 Å²	67.8	16%	0.159	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-52	176.3	-64.8	170.1	0	0	0	110.1	L62 N176 L180 I181 N182 F225	L62-I178 HydrophobicContact CB-CG2 4.47Å; N176-I178 PolarHBondContact O-N 3.13Å; I178-L180 VanDerWaalsContact C-N 3.28Å; I178-L180 PolarHBondContact O-N 3.23Å; I178-I181 PolarHBondContact O-N 3.37Å; I178-N182 WeakPolarHBondContact O-CB 3.49Å; I178-N182 VanDerWaalsContact O-CG 3.24Å; I178-N182 PolarHBondContact O-N 3.23Å; I178-F225 HydrophobicContact CD1-CE2 4.46Å; I178-F225 HydrophobicContact CD1-CZ 3.94Å; I178-F225 HydrophobicContact CG1-CE1 4.42Å; I178-F225 HydrophobicContact CG1-CE2 3.53Å; I178-F225 HydrophobicContact CG1-CZ 3.29Å
179	H	64.6	Low	66.5	Low	120 Å²	120	70.8 Å²	70.8	56%	0.556	35%	0.347	S	S	*	.	H	α-helix	trans	-59.4	-42.9	179.6	-177.9	66.5	0	0	0	111.5	N176 N182 E183	N176-H179 HydrophobicContact CB-CB 4.06Å; N176-H179 PolarHBondContact O-N 2.89Å; N176-H179 VanDerWaalsContact O-N 3.16Å; N176-H179 PolarHBondContact OD1-N 2.83Å; H179-N182 PolarHBondContact O-N 3.11Å; H179-E183 WeakPolarHBondContact O-CB 3.43Å; H179-E183 PolarHBondContact O-N 3.37Å
180	L	66.9	Low	66.8	Low	34 Å²	34	68.6 Å²	68.6	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-69	-39.4	-178.2	-170.3	57.6	0	0	0	112.7	I164 F175 N176 Y177 I178 Q184	I164-L180 HydrophobicContact CD1-CD1 4.21Å; I164-L180 HydrophobicContact CD1-CD2 3.94Å; I164-L180 HydrophobicContact CD1-CG 3.59Å; I164-L180 HydrophobicContact CG1-CD2 3.55Å; I164-L180 HydrophobicContact CG1-CG 3.83Å; I164-L180 HydrophobicContact CG2-CD2 4.41Å; F175-L180 HydrophobicContact CD1-CD2 4.45Å; N176-L180 PolarHBondContact O-N 3.32Å; Y177-L180 PolarHBondContact O-N 3.49Å; I178-L180 VanDerWaalsContact C-N 3.28Å; I178-L180 PolarHBondContact O-N 3.23Å; L180-Q184 WeakPolarHBondContact O-CG 3.23Å; L180-Q184 PolarHBondContact O-N 3.42Å; L180-Q184 VanDerWaalsContact O-N 3.15Å
181	I	66	Low	66.5	Low	5 Å²	5	63.7 Å²	63.7	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-48.5	172.6	-68.9	164.7	0	0	0	109.6	I164 I168 Y177 I178 E183 Q184 L185 Q221 F225	I164-I181 HydrophobicContact CG2-CG1 4.49Å; I168-I181 HydrophobicContact CD1-CD1 4.2Å; Y177-I181 WeakPolarHBondContact O-CB 3.46Å; Y177-I181 WeakPolarHBondContact O-CD1 3.39Å; Y177-I181 WeakPolarHBondContact O-CG1 3.1Å; Y177-I181 PolarHBondContact O-N 2.9Å; I178-I181 PolarHBondContact O-N 3.37Å; I181-E183 PolarHBondContact O-N 2.86Å; I181-Q184 WeakPolarHBondContact O-CB 3.47Å; I181-Q184 PolarHBondContact O-N 2.93Å; I181-Q184 VanDerWaalsContact O-N 3.11Å; I181-L185 HydrophobicContact CG2-CD1 3.89Å; I181-L185 HydrophobicContact CG2-CG 4.18Å; I181-L185 WeakPolarHBondContact O-CG 3.35Å; I181-L185 PolarHBondContact O-N 3.04Å; I181-Q221 HydrophobicContact CD1-CG 4.18Å; I181-Q221 HydrophobicContact CG1-CG 3.94Å; I181-F225 HydrophobicContact CD1-CB 3.77Å; I181-F225 HydrophobicContact CD1-CD1 4.49Å; I181-F225 HydrophobicContact CD1-CD2 3.39Å; I181-F225 HydrophobicContact CD1-CE2 4.15Å; I181-F225 HydrophobicContact CD1-CG 3.61Å
182	N	63.3	Low	66.4	Low	14 Å²	14	56.7 Å²	56.7	8%	0.075	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-44.7	-179.6	-71.9	-5.9	0	0	0	112.2	L59 I178 H179 Q184 L185 I186	L59-N182 PolarHBondContact O-OD1 2.98Å; I178-N182 WeakPolarHBondContact O-CB 3.49Å; I178-N182 VanDerWaalsContact O-CG 3.24Å; I178-N182 PolarHBondContact O-N 3.23Å; H179-N182 PolarHBondContact O-N 3.11Å; N182-Q184 VanDerWaalsContact C-N 3.28Å; N182-Q184 PolarHBondContact O-N 2.81Å; N182-L185 PolarHBondContact O-N 2.65Å; N182-I186 VanDerWaalsContact O-CG1 3.31Å; N182-I186 WeakPolarHBondContact O-CG1 3.34Å; N182-I186 PolarHBondContact O-N 2.68Å
183	E	70.4	Confident	66.8	Low	65 Å²	65	57.9 Å²	57.9	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-41.8	175.5	-168	-151.8	130.3	0	0	111.2	K160 H179 I181 Q187	K160-E183 IonicContact NZ-OE1 3.81Å; K160-E183 PolarHBondContact NZ-OE1 3.4Å; K160-E183 IonicContact NZ-OE2 2.68Å; H179-E183 WeakPolarHBondContact O-CB 3.43Å; H179-E183 PolarHBondContact O-N 3.37Å; I181-E183 PolarHBondContact O-N 2.86Å; E183-Q187 WeakPolarHBondContact O-CG 3.2Å; E183-Q187 PolarHBondContact O-N 3.15Å; E183-Q187 PolarHBondContact OE1-NE2 3.3Å
184	Q	69.9	Low	67.1	Low	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-41.1	176.2	-73.3	-49.6	-85.1	0	0	113.1	W157 K160 I164 L180 I181 N182 I186 Q187 L188	W157-Q184 PolarHBondContact NE1-O 2.88Å; K160-Q184 VanDerWaalsContact CD-CD 3.47Å; K160-Q184 HydrophobicContact CD-CG 4.44Å; K160-Q184 HydrophobicContact CG-CG 4.42Å; I164-Q184 HydrophobicContact CD1-CG 3.63Å; L180-Q184 WeakPolarHBondContact O-CG 3.23Å; L180-Q184 PolarHBondContact O-N 3.42Å; L180-Q184 VanDerWaalsContact O-N 3.15Å; I181-Q184 WeakPolarHBondContact O-CB 3.47Å; I181-Q184 PolarHBondContact O-N 2.93Å; I181-Q184 VanDerWaalsContact O-N 3.11Å; N182-Q184 VanDerWaalsContact C-N 3.28Å; N182-Q184 PolarHBondContact O-N 2.81Å; Q184-I186 VanDerWaalsContact C-N 3.34Å; Q184-Q187 PolarHBondContact O-N 2.96Å; Q184-L188 WeakPolarHBondContact O-CB 3.45Å; Q184-L188 PolarHBondContact O-N 2.92Å
185	L	67.6	Low	67.3	Low	8 Å²	8	45.4 Å²	45.4	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-41.9	177.3	-68.1	176.2	0	0	0	111.5	L59 I60 I181 N182 L188 D189 L218	L59-L185 HydrophobicContact CB-CD1 3.81Å; I60-L185 HydrophobicContact CG1-CB 3.75Å; I60-L185 HydrophobicContact CG1-CD1 4.18Å; I181-L185 HydrophobicContact CG2-CD1 3.89Å; I181-L185 HydrophobicContact CG2-CG 4.18Å; I181-L185 WeakPolarHBondContact O-CG 3.35Å; I181-L185 PolarHBondContact O-N 3.04Å; N182-L185 PolarHBondContact O-N 2.65Å; L185-L188 PolarHBondContact O-N 3.43Å; L185-D189 WeakPolarHBondContact O-CB 3.24Å; L185-D189 PolarHBondContact O-N 3.07Å; L185-L218 HydrophobicContact CD2-CD2 3.25Å
186	I	70.9	Confident	67.5	Low	84 Å²	84	43 Å²	43	43%	0.431	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-43.5	176.6	-67.8	165.6	0	0	0	111	I60 N182 Q184 L188 N190	I60-I186 HydrophobicContact CG2-CG1 4.43Å; N182-I186 VanDerWaalsContact O-CG1 3.31Å; N182-I186 WeakPolarHBondContact O-CG1 3.34Å; N182-I186 PolarHBondContact O-N 2.68Å; Q184-I186 VanDerWaalsContact C-N 3.34Å; I186-L188 VanDerWaalsContact C-N 3.31Å; I186-L188 PolarHBondContact O-N 3.31Å; I186-N190 WeakPolarHBondContact O-CB 3.42Å; I186-N190 PolarHBondContact O-N 2.95Å; I186-N190 PolarHBondContact O-ND2 3.37Å
187	Q	71.5	Confident	67.2	Low	66 Å²	66	44 Å²	44	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-61.4	-43.3	175.5	-77.1	170.5	13.2	0	0	111.2	E183 Q184 N190 H191	E183-Q187 WeakPolarHBondContact O-CG 3.2Å; E183-Q187 PolarHBondContact O-N 3.15Å; E183-Q187 PolarHBondContact OE1-NE2 3.3Å; Q184-Q187 PolarHBondContact O-N 2.96Å; Q187-N190 PolarHBondContact O-N 3.14Å; Q187-H191 PolarHBondContact O-N 3.48Å; Q187-H191 PolarHBondContact O-ND1 3.38Å; Q187-H191 VanDerWaalsContact O-ND1 3.1Å
188	L	70.3	Confident	67	Low	6 Å²	6	48 Å²	48	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-48.3	179	177.7	64.4	0	0	0	112.2	F154 W157 Q184 L185 I186 N190 H191 L192 V214 L218	F154-L188 HydrophobicContact CD1-CD1 4.04Å; F154-L188 HydrophobicContact CE1-CD1 3.8Å; W157-L188 HydrophobicContact CD2-CD1 4.4Å; W157-L188 HydrophobicContact CH2-CD2 4.13Å; W157-L188 HydrophobicContact CZ2-CB 4.25Å; W157-L188 HydrophobicContact CZ2-CD2 3.79Å; W157-L188 HydrophobicContact CZ2-CG 4.48Å; Q184-L188 WeakPolarHBondContact O-CB 3.45Å; Q184-L188 PolarHBondContact O-N 2.92Å; L185-L188 PolarHBondContact O-N 3.43Å; I186-L188 VanDerWaalsContact C-N 3.31Å; I186-L188 PolarHBondContact O-N 3.31Å; L188-N190 VanDerWaalsContact C-N 3.28Å; L188-N190 PolarHBondContact O-N 3.08Å; L188-H191 PolarHBondContact O-N 3.43Å; L188-H191 VanDerWaalsContact O-N 3.11Å; L188-L192 HydrophobicContact CD1-CD1 3.94Å; L188-L192 HydrophobicContact CD1-CD2 4.42Å; L188-L192 HydrophobicContact CD1-CG 3.87Å; L188-L192 HydrophobicContact CD2-CD1 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.79Å; L188-L192 HydrophobicContact CG-CG 4.14Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.08Å; L188-V214 HydrophobicContact CD1-CB 4.42Å; L188-V214 HydrophobicContact CD1-CG1 3.38Å; L188-V214 HydrophobicContact CD1-CG2 4.16Å; L188-V214 HydrophobicContact CD2-CG1 3.32Å; L188-V214 HydrophobicContact CG-CG1 3.95Å; L188-L218 HydrophobicContact CD2-CD1 3.61Å; L188-L218 HydrophobicContact CD2-CD2 3.93Å; L188-L218 HydrophobicContact CD2-CG 3.99Å
189	D	69.2	Low	66.8	Low	65 Å²	65	47.7 Å²	47.7	35%	0.348	23%	0.23	S	C	.	.	H	α-helix	trans	-56.3	-45.9	178.2	-177.9	65.7	0	0	0	110.9	L185 H191 L192 R193	L185-D189 WeakPolarHBondContact O-CB 3.24Å; L185-D189 PolarHBondContact O-N 3.07Å; D189-H191 PolarHBondContact O-N 2.92Å; D189-L192 PolarHBondContact O-N 2.83Å; D189-R193 VanDerWaalsContact O-CB 3.26Å; D189-R193 WeakPolarHBondContact O-CB 3.33Å; D189-R193 PolarHBondContact O-N 3.1Å
190	N	74.7	Confident	66.2	Low	60 Å²	60	46.7 Å²	46.7	32%	0.321	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-42.2	175.7	-75.2	-44.5	0	0	0	112.6	I186 Q187 L188 R193 V194	I186-N190 WeakPolarHBondContact O-CB 3.42Å; I186-N190 PolarHBondContact O-N 2.95Å; I186-N190 PolarHBondContact O-ND2 3.37Å; Q187-N190 PolarHBondContact O-N 3.14Å; L188-N190 VanDerWaalsContact C-N 3.28Å; L188-N190 PolarHBondContact O-N 3.08Å; N190-R193 PolarHBondContact OD1-NH2 3.24Å; N190-V194 WeakPolarHBondContact O-CG2 3.47Å; N190-V194 PolarHBondContact O-N 3.48Å
191	H	69.9	Low	65.3	Low	34 Å²	34	50.8 Å²	50.8	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-67.1	-45.7	177.6	-62.5	149	0	0	0	112.2	Y150 F154 Q187 L188 D189 V194 V195	Y150-H191 HydrophobicContact CD1-CB 4.48Å; F154-H191 HydrophobicContact CD1-CB 4.48Å; F154-H191 HydrophobicContact CE1-CB 3.75Å; F154-H191 HydrophobicContact CZ-CB 3.95Å; Q187-H191 PolarHBondContact O-N 3.48Å; Q187-H191 PolarHBondContact O-ND1 3.38Å; Q187-H191 VanDerWaalsContact O-ND1 3.1Å; L188-H191 PolarHBondContact O-N 3.43Å; L188-H191 VanDerWaalsContact O-N 3.11Å; D189-H191 PolarHBondContact O-N 2.92Å; H191-V194 PolarHBondContact O-N 3.31Å; H191-V195 VanDerWaalsContact O-CG2 3.3Å; H191-V195 WeakPolarHBondContact O-CG2 3.38Å; H191-V195 PolarHBondContact O-N 2.97Å; H191-V195 VanDerWaalsContact O-N 3.08Å
192	L	67	Low	64.4	Low	5 Å²	5	53.6 Å²	53.6	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-44.2	178.6	-71	175.6	0	0	0	111	F154 L188 D189 V194 V195 F196 V211 M215	F154-L192 HydrophobicContact CE1-CD2 3.73Å; F154-L192 HydrophobicContact CE1-CG 4.12Å; F154-L192 HydrophobicContact CZ-CD2 3.76Å; F154-L192 HydrophobicContact CZ-CG 4.38Å; L188-L192 HydrophobicContact CD1-CD1 3.94Å; L188-L192 HydrophobicContact CD1-CD2 4.42Å; L188-L192 HydrophobicContact CD1-CG 3.87Å; L188-L192 HydrophobicContact CD2-CD1 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.79Å; L188-L192 HydrophobicContact CG-CG 4.14Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.08Å; D189-L192 PolarHBondContact O-N 2.83Å; L192-V194 PolarHBondContact O-N 2.92Å; L192-V195 PolarHBondContact O-N 3Å; L192-F196 HydrophobicContact CB-CD2 4.06Å; L192-F196 HydrophobicContact CB-CE2 3.99Å; L192-F196 HydrophobicContact CD2-CE2 3.82Å; L192-F196 HydrophobicContact CD2-CZ 4.36Å; L192-F196 HydrophobicContact CG-CE2 4.38Å; L192-F196 WeakPolarHBondContact O-CB 3.13Å; L192-F196 WeakPolarHBondContact O-CD2 3.4Å; L192-F196 WeakPolarHBondContact O-CG 3.08Å; L192-F196 PolarHBondContact O-N 3.36Å; L192-V211 HydrophobicContact CD2-CG2 4.05Å; L192-M215 HydrophobicContact CD1-CE 4.27Å
193	R	69.2	Low	63.4	Low	110 Å²	110	56.4 Å²	56.4	42%	0.415	28%	0.284	S	S	.	.	H	α-helix	trans	-57.5	-51.6	178.2	-173.8	176.8	72.5	-131.6	-6.1	111.1	D189 N190 V195 F196 E197	D189-R193 VanDerWaalsContact O-CB 3.26Å; D189-R193 WeakPolarHBondContact O-CB 3.33Å; D189-R193 PolarHBondContact O-N 3.1Å; N190-R193 PolarHBondContact OD1-NH2 3.24Å; R193-V195 VanDerWaalsContact C-N 3.31Å; R193-V195 PolarHBondContact O-N 2.86Å; R193-F196 PolarHBondContact O-N 3.3Å; R193-E197 WeakPolarHBondContact CD-OE1 3.34Å; R193-E197 HydrophobicContact CG-CG 4.06Å; R193-E197 WeakPolarHBondContact CG-OE1 3.37Å; R193-E197 WeakPolarHBondContact CG-OE2 3.48Å; R193-E197 VanDerWaalsContact O-CB 3.24Å; R193-E197 WeakPolarHBondContact O-CB 3.38Å; R193-E197 VanDerWaalsContact O-CG 3.27Å; R193-E197 WeakPolarHBondContact O-CG 3.5Å; R193-E197 PolarHBondContact O-N 3.48Å
194	V	64.9	Low	62.2	Low	36 Å²	36	55.1 Å²	55.1	22%	0.218	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-42	-179.6	175.6	0	0	0	0	111.5	Y150 N190 H191 L192 N198	Y150-V194 HydrophobicContact CE1-CB 3.95Å; Y150-V194 HydrophobicContact CE1-CG1 3.87Å; Y150-V194 HydrophobicContact CE2-CG1 3.77Å; Y150-V194 VanDerWaalsContact OH-CG1 3.28Å; Y150-V194 WeakPolarHBondContact OH-CG1 3.19Å; N190-V194 WeakPolarHBondContact O-CG2 3.47Å; N190-V194 PolarHBondContact O-N 3.48Å; H191-V194 PolarHBondContact O-N 3.31Å; L192-V194 PolarHBondContact O-N 2.92Å; V194-N198 VanDerWaalsContact O-CB 3.3Å; V194-N198 WeakPolarHBondContact O-CB 3.46Å; V194-N198 PolarHBondContact O-N 2.82Å; V194-N198 PolarHBondContact O-ND2 3.03Å
195	V	61.4	Low	61.1	Low	1 Å²	1	63.2 Å²	63.2	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-47.6	179.4	173.1	0	0	0	0	111.5	L147 Y150 F154 H191 L192 R193 Y199 L207	L147-V195 HydrophobicContact CD1-CG1 4.3Å; Y150-V195 HydrophobicContact CD1-CG2 3.96Å; Y150-V195 HydrophobicContact CD2-CG2 4.44Å; Y150-V195 HydrophobicContact CG-CG2 3.76Å; F154-V195 HydrophobicContact CE2-CG2 3.99Å; F154-V195 HydrophobicContact CZ-CG2 4.2Å; H191-V195 VanDerWaalsContact O-CG2 3.3Å; H191-V195 WeakPolarHBondContact O-CG2 3.38Å; H191-V195 PolarHBondContact O-N 2.97Å; H191-V195 VanDerWaalsContact O-N 3.08Å; L192-V195 PolarHBondContact O-N 3Å; R193-V195 VanDerWaalsContact C-N 3.31Å; R193-V195 PolarHBondContact O-N 2.86Å; V195-Y199 CarbonylContact O-C 3.5Å; V195-Y199 WeakPolarHBondContact O-CA 3.42Å; V195-Y199 VanDerWaalsContact O-CB 3.31Å; V195-Y199 WeakPolarHBondContact O-CB 3.31Å; V195-Y199 PolarHBondContact O-N 3.47Å; V195-L207 HydrophobicContact CG1-CD1 3.83Å; V195-L207 HydrophobicContact CG1-CD2 3.48Å; V195-L207 VanDerWaalsContact CG1-CD2 3.48Å; V195-L207 HydrophobicContact CG1-CG 4.29Å
196	F	62.7	Low	60.2	Low	44 Å²	44	63.8 Å²	63.8	19%	0.193	32%	0.324	C	S	.	.	H	α-helix	trans	-71.7	-34.2	-178.1	-70.3	-52.8	0	0	0	113.6	V43 Y46 L192 R193 V211	V43-F196 HydrophobicContact CG1-CD1 4.39Å; V43-F196 HydrophobicContact CG1-CE1 3.87Å; V43-F196 HydrophobicContact CG2-CE1 4.24Å; Y46-F196 HydrophobicContact CD1-CE2 4.5Å; Y46-F196 HydrophobicContact CE1-CE2 4.27Å; L192-F196 HydrophobicContact CB-CD2 4.06Å; L192-F196 HydrophobicContact CB-CE2 3.99Å; L192-F196 HydrophobicContact CD2-CE2 3.82Å; L192-F196 HydrophobicContact CD2-CZ 4.36Å; L192-F196 HydrophobicContact CG-CE2 4.38Å; L192-F196 WeakPolarHBondContact O-CB 3.13Å; L192-F196 WeakPolarHBondContact O-CD2 3.4Å; L192-F196 WeakPolarHBondContact O-CG 3.08Å; L192-F196 PolarHBondContact O-N 3.36Å; R193-F196 PolarHBondContact O-N 3.3Å; F196-V211 HydrophobicContact CZ-CG2 4.46Å
197	E	63.5	Low	59.5	Low	128 Å²	128	60.6 Å²	60.6	60%	0.598	31%	0.308	S	S	*	.	H	α-helix	trans	-74.8	-38.7	178.8	-72.8	176.7	174.3	0	0	112.4	R193	R193-E197 WeakPolarHBondContact CD-OE1 3.34Å; R193-E197 HydrophobicContact CG-CG 4.06Å; R193-E197 WeakPolarHBondContact CG-OE1 3.37Å; R193-E197 WeakPolarHBondContact CG-OE2 3.48Å; R193-E197 VanDerWaalsContact O-CB 3.24Å; R193-E197 WeakPolarHBondContact O-CB 3.38Å; R193-E197 VanDerWaalsContact O-CG 3.27Å; R193-E197 WeakPolarHBondContact O-CG 3.5Å; R193-E197 PolarHBondContact O-N 3.48Å
198	N	60.5	Low	58.6	Low	92 Å²	92	58.6 Å²	58.6	49%	0.492	30%	0.301	S	S	.	.	H	α-helix	trans	-100.5	-18.8	-171.9	-61.3	-84.1	0	0	0	113.5	V194 P200	V194-N198 VanDerWaalsContact O-CB 3.3Å; V194-N198 WeakPolarHBondContact O-CB 3.46Å; V194-N198 PolarHBondContact O-N 2.82Å; V194-N198 PolarHBondContact O-ND2 3.03Å; N198-P200 VanDerWaalsContact C-CD 3.42Å
199	Y	59.5	Low	58	Low	25 Å²	25	62.6 Å²	62.6	10%	0.098	32%	0.322	C	S	.	.			trans	-133.4	49.2	-174.6	-52.5	-89.3	0	0	0	112.7	H143 T146 V195 L201 Y202	H143-Y199 HydrophobicContact CB-CE1 4.01Å; H143-Y199 AromaticContact ND1-CE1 3.39Å; H143-Y199 WeakPolarHBondContact ND1-CE1 3.45Å; T146-Y199 WeakPolarHBondContact CB-OH 3.5Å; T146-Y199 HydrophobicContact CG2-CE2 4.45Å; T146-Y199 WeakPolarHBondContact CG2-OH 3.28Å; V195-Y199 CarbonylContact O-C 3.5Å; V195-Y199 WeakPolarHBondContact O-CA 3.42Å; V195-Y199 VanDerWaalsContact O-CB 3.31Å; V195-Y199 WeakPolarHBondContact O-CB 3.31Å; V195-Y199 PolarHBondContact O-N 3.47Å; Y199-L201 PolarHBondContact O-N 3.18Å; Y199-Y202 AromaticContact CD1-CD2 3.74Å; Y199-Y202 HydrophobicContact CD1-CD2 3.74Å; Y199-Y202 HydrophobicContact CD1-CE2 4.12Å; Y199-Y202 HydrophobicContact CD1-CG 4.39Å; Y199-Y202 HydrophobicContact CG-CD2 4.44Å; Y199-Y202 PolarHBondContact O-N 2.84Å
200	P	50.1	Low	57.5	Low	99 Å²	99	61.2 Å²	61.2	64%	0.643	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.8	-176.5	26.8	-35.5	0	0	0	113.4	N198	N198-P200 VanDerWaalsContact C-CD 3.42Å
201	L	47.9	Very low	56.8	Low	119 Å²	119	59.1 Å²	59.1	62%	0.623	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-5.9	-174.1	-68.2	167.5	0	0	0	114	I131 Y199 T203	I131-L201 HydrophobicContact CD1-CD1 3.26Å; I131-L201 HydrophobicContact CG1-CD1 4.34Å; Y199-L201 PolarHBondContact O-N 3.18Å; L201-T203 PolarHBondContact O-N 3.37Å
202	Y	47.6	Very low	56.1	Low	65 Å²	65	59.3 Å²	59.3	26%	0.255	30%	0.304	S	S	.	.			trans	-81	89.6	176.9	-79.9	-89.3	0	0	0	109.4	H143 L147 Y199 C204	H143-Y202 HydrophobicContact CB-CE1 4.26Å; H143-Y202 HydrophobicContact CB-CE2 3.95Å; H143-Y202 VanDerWaalsContact CB-OH 3.3Å; H143-Y202 WeakPolarHBondContact CB-OH 3.3Å; L147-Y202 HydrophobicContact CD2-CG 4.4Å; Y199-Y202 AromaticContact CD1-CD2 3.74Å; Y199-Y202 HydrophobicContact CD1-CD2 3.74Å; Y199-Y202 HydrophobicContact CD1-CE2 4.12Å; Y199-Y202 HydrophobicContact CD1-CG 4.39Å; Y199-Y202 HydrophobicContact CG-CD2 4.44Å; Y199-Y202 PolarHBondContact O-N 2.84Å; Y202-C204 PolarHBondContact O-N 2.84Å
203	T	42.8	Very low	55.8	Low	73 Å²	73	61.1 Å²	61.1	45%	0.448	32%	0.316	S	S	.	.			trans	-70.8	35.6	167.9	52.3	0	0	0	0	112	D36 L39 L201 K205	D36-T203 WeakPolarHBondContact OD1-CB 3.23Å; L39-T203 HydrophobicContact CD2-CG2 4.17Å; L201-T203 PolarHBondContact O-N 3.37Å; T203-K205 PolarHBondContact O-N 3.08Å; T203-K205 VanDerWaalsContact O-N 3.08Å
204	C	45.7	Very low	55.4	Low	37 Å²	37	55.9 Å²	55.9	25%	0.25	30%	0.296	C	S	.	.			trans	-58.8	124	-176.9	-73.2	0	0	0	0	110.2	L147 Y202 G206 L207 P208	L147-C204 HydrophobicContact CD2-CB 3.51Å; L147-C204 WeakPolarHBondContact CD2-SG 3.47Å; Y202-C204 PolarHBondContact O-N 2.84Å; C204-G206 PolarHBondContact O-N 3.42Å; C204-L207 PolarHBondContact O-N 3.11Å; C204-P208 WeakPolarHBondContact O-CD 3.44Å
205	K	46.7	Very low	54.9	Low	171 Å²	171	55.1 Å²	55.1	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	110.7	172.1	-70.9	-175.1	177	-175.8	0	108.8	T203	T203-K205 PolarHBondContact O-N 3.08Å; T203-K205 VanDerWaalsContact O-N 3.08Å
206	G	49.1	Very low	55	Low	20 Å²	20	59.2 Å²	59.2	21%	0.206	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	120.1	-33.5	177.6	0	0	0	0	0	115.7	C204 P208 N209 K210	C204-G206 PolarHBondContact O-N 3.42Å; G206-P208 VanDerWaalsContact C-CD 3.46Å; G206-N209 PolarHBondContact O-N 3.39Å; G206-K210 WeakPolarHBondContact O-CB 3.15Å; G206-K210 VanDerWaalsContact O-CG 3.3Å; G206-K210 WeakPolarHBondContact O-CG 3.46Å; G206-K210 PolarHBondContact O-N 3.46Å
207	L	55.9	Low	55	Low	17 Å²	17	58 Å²	58	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-56.8	-45.8	172.8	-177.6	66	0	0	0	112.1	L151 F154 V195 C204 N209 K210 V211	L151-L207 HydrophobicContact CD2-CB 3.87Å; L151-L207 HydrophobicContact CD2-CD1 3.79Å; L151-L207 HydrophobicContact CD2-CG 4.47Å; F154-L207 HydrophobicContact CD2-CD1 4.31Å; F154-L207 HydrophobicContact CE2-CD1 3.77Å; V195-L207 HydrophobicContact CG1-CD1 3.83Å; V195-L207 HydrophobicContact CG1-CD2 3.48Å; V195-L207 VanDerWaalsContact CG1-CD2 3.48Å; V195-L207 HydrophobicContact CG1-CG 4.29Å; C204-L207 PolarHBondContact O-N 3.11Å; L207-N209 PolarHBondContact O-N 2.96Å; L207-K210 PolarHBondContact O-N 3.07Å; L207-V211 HydrophobicContact CD1-CG2 4.05Å; L207-V211 HydrophobicContact CG-CG2 4.27Å; L207-V211 VanDerWaalsContact O-CG2 3.32Å; L207-V211 WeakPolarHBondContact O-CG2 3.3Å; L207-V211 PolarHBondContact O-N 3.5Å
208	P	53.3	Low	54.9	Low	23 Å²	23	52.4 Å²	52.4	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-51.2	-55.3	174.5	-31.8	40.4	0	0	0	113.4	L39 C204 G206 K210 V211 I212	L39-P208 HydrophobicContact CB-CG 4.38Å; L39-P208 HydrophobicContact CD1-CB 3.5Å; L39-P208 HydrophobicContact CD1-CG 3.33Å; L39-P208 HydrophobicContact CD2-CB 4.36Å; L39-P208 HydrophobicContact CD2-CG 3.33Å; L39-P208 HydrophobicContact CG-CB 4.34Å; L39-P208 HydrophobicContact CG-CG 3.79Å; C204-P208 WeakPolarHBondContact O-CD 3.44Å; G206-P208 VanDerWaalsContact C-CD 3.46Å; P208-K210 VanDerWaalsContact C-N 3.28Å; P208-K210 PolarHBondContact O-N 2.87Å; P208-V211 PolarHBondContact O-N 3Å; P208-I212 WeakPolarHBondContact O-CD1 3.45Å; P208-I212 VanDerWaalsContact O-CG1 3.24Å; P208-I212 WeakPolarHBondContact O-CG1 3.26Å; P208-I212 PolarHBondContact O-N 2.93Å
209	N	56.2	Low	54.7	Low	90 Å²	90	49.1 Å²	49.1	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-36.1	-174.4	-68	-10.6	0	0	0	110.6	G206 L207 T213	G206-N209 PolarHBondContact O-N 3.39Å; L207-N209 PolarHBondContact O-N 2.96Å; N209-T213 WeakPolarHBondContact O-CB 3.27Å; N209-T213 PolarHBondContact O-N 3.08Å; N209-T213 PolarHBondContact O-OG1 3.38Å
210	K	59.9	Low	55	Low	36 Å²	36	51 Å²	51	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-44.7	175.1	-71.2	-175.1	-160.8	-118.1	0	112	L151 F154 D155 G206 L207 P208 I212 T213 V214	L151-K210 HydrophobicContact CB-CD 4.1Å; L151-K210 HydrophobicContact CD2-CD 3.67Å; L151-K210 HydrophobicContact CG-CD 4.45Å; L151-K210 PolarHBondContact O-NZ 2.99Å; F154-K210 HydrophobicContact CB-CB 4.39Å; F154-K210 HydrophobicContact CB-CD 4.12Å; D155-K210 IonicContact OD1-NZ 2.65Å; D155-K210 PolarHBondContact OD1-NZ 3.3Å; D155-K210 IonicContact OD2-NZ 3.9Å; D155-K210 PolarHBondContact OD2-NZ 2.83Å; G206-K210 WeakPolarHBondContact O-CB 3.15Å; G206-K210 VanDerWaalsContact O-CG 3.3Å; G206-K210 WeakPolarHBondContact O-CG 3.46Å; G206-K210 PolarHBondContact O-N 3.46Å; L207-K210 PolarHBondContact O-N 3.07Å; P208-K210 VanDerWaalsContact C-N 3.28Å; P208-K210 PolarHBondContact O-N 2.87Å; K210-I212 VanDerWaalsContact C-N 3.3Å; K210-I212 PolarHBondContact O-N 3.19Å; K210-T213 PolarHBondContact O-N 3.14Å; K210-V214 WeakPolarHBondContact O-CB 3.34Å; K210-V214 WeakPolarHBondContact O-CG2 3.45Å; K210-V214 PolarHBondContact O-N 3.17Å
211	V	59.1	Low	55.6	Low	17 Å²	17	46.4 Å²	46.4	10%	0.103	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-42.6	175.8	173.2	0	0	0	0	110.3	L192 F196 L207 P208 V214 M215	L192-V211 HydrophobicContact CD2-CG2 4.05Å; F196-V211 HydrophobicContact CZ-CG2 4.46Å; L207-V211 HydrophobicContact CD1-CG2 4.05Å; L207-V211 HydrophobicContact CG-CG2 4.27Å; L207-V211 VanDerWaalsContact O-CG2 3.32Å; L207-V211 WeakPolarHBondContact O-CG2 3.3Å; L207-V211 PolarHBondContact O-N 3.5Å; P208-V211 PolarHBondContact O-N 3Å; V211-V214 WeakPolarHBondContact O-CB 3.41Å; V211-V214 PolarHBondContact O-N 2.9Å; V211-M215 HydrophobicContact CG1-CE 4.13Å; V211-M215 VanDerWaalsContact O-CG 3.3Å; V211-M215 WeakPolarHBondContact O-CG 3.49Å; V211-M215 PolarHBondContact O-N 2.95Å
212	I	54.4	Low	56.1	Low	37 Å²	37	41.8 Å²	41.8	19%	0.19	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-51.8	174.8	-67.1	159.2	0	0	0	110.9	K42 P208 K210 V214 M215 E216	K42-I212 HydrophobicContact CD-CD1 3.71Å; K42-I212 HydrophobicContact CD-CG1 4.01Å; K42-I212 VanDerWaalsContact NZ-CD1 3.27Å; P208-I212 WeakPolarHBondContact O-CD1 3.45Å; P208-I212 VanDerWaalsContact O-CG1 3.24Å; P208-I212 WeakPolarHBondContact O-CG1 3.26Å; P208-I212 PolarHBondContact O-N 2.93Å; K210-I212 VanDerWaalsContact C-N 3.3Å; K210-I212 PolarHBondContact O-N 3.19Å; I212-V214 PolarHBondContact O-N 3.08Å; I212-M215 WeakPolarHBondContact O-CB 3.34Å; I212-M215 PolarHBondContact O-N 3.29Å; I212-E216 HydrophobicContact CG2-CG 4.48Å; I212-E216 WeakPolarHBondContact CG2-OE1 3.49Å; I212-E216 WeakPolarHBondContact O-CG 3.35Å; I212-E216 PolarHBondContact O-N 3.35Å
213	T	61.9	Low	56.5	Low	44 Å²	44	46 Å²	46	27%	0.27	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-40	178.4	-57.4	0	0	0	0	111.3	I158 N209 K210 L217	I158-T213 HydrophobicContact CD1-CG2 3.78Å; I158-T213 HydrophobicContact CG1-CG2 4.12Å; I158-T213 HydrophobicContact CG2-CG2 4.3Å; N209-T213 WeakPolarHBondContact O-CB 3.27Å; N209-T213 PolarHBondContact O-N 3.08Å; N209-T213 PolarHBondContact O-OG1 3.38Å; K210-T213 PolarHBondContact O-N 3.14Å; T213-L217 HydrophobicContact CG2-CD1 3.95Å; T213-L217 WeakPolarHBondContact O-CB 3.41Å; T213-L217 VanDerWaalsContact O-CG 3.26Å; T213-L217 WeakPolarHBondContact O-CG 3.33Å; T213-L217 PolarHBondContact O-N 3.39Å
214	V	60.9	Low	57.4	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-48.9	174.7	160.7	0	0	0	0	110.7	F154 W157 I158 L188 K210 V211 I212 E216 L217 L218	F154-V214 HydrophobicContact CD1-CG2 4.1Å; W157-V214 HydrophobicContact CE3-CB 4.45Å; W157-V214 HydrophobicContact CE3-CG1 4.36Å; W157-V214 HydrophobicContact CE3-CG2 3.79Å; W157-V214 HydrophobicContact CH2-CG1 4.11Å; W157-V214 HydrophobicContact CZ3-CB 4.04Å; W157-V214 HydrophobicContact CZ3-CG1 3.88Å; W157-V214 HydrophobicContact CZ3-CG2 3.87Å; I158-V214 HydrophobicContact CD1-CG2 4.27Å; I158-V214 HydrophobicContact CG1-CG2 4.05Å; L188-V214 HydrophobicContact CD1-CB 4.42Å; L188-V214 HydrophobicContact CD1-CG1 3.38Å; L188-V214 HydrophobicContact CD1-CG2 4.16Å; L188-V214 HydrophobicContact CD2-CG1 3.32Å; L188-V214 HydrophobicContact CG-CG1 3.95Å; K210-V214 WeakPolarHBondContact O-CB 3.34Å; K210-V214 WeakPolarHBondContact O-CG2 3.45Å; K210-V214 PolarHBondContact O-N 3.17Å; V211-V214 WeakPolarHBondContact O-CB 3.41Å; V211-V214 PolarHBondContact O-N 2.9Å; I212-V214 PolarHBondContact O-N 3.08Å; V214-E216 PolarHBondContact O-N 2.86Å; V214-L217 PolarHBondContact O-N 3.48Å; V214-L218 HydrophobicContact CG1-CD1 4.43Å; V214-L218 WeakPolarHBondContact O-CG 3.24Å; V214-L218 PolarHBondContact O-N 3.06Å
215	M	54.7	Low	58.1	Low	20 Å²	20	42.1 Å²	42.1	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-43.9	-179.9	-65.8	-58.7	165.7	0	0	112.1	Y46 F52 L192 V211 I212 L217 L218 V219	Y46-M215 HydrophobicContact CD2-CE 3.4Å; Y46-M215 HydrophobicContact CD2-SD 4.18Å; Y46-M215 HydrophobicContact CE2-CE 3.13Å; Y46-M215 HydrophobicContact CE2-SD 4Å; Y46-M215 HydrophobicContact CG-CE 4.24Å; F52-M215 HydrophobicContact CE1-CE 4.41Å; F52-M215 HydrophobicContact CE1-SD 3.77Å; F52-M215 HydrophobicContact CE2-SD 4.22Å; F52-M215 HydrophobicContact CZ-SD 3.35Å; F52-M215 WeakPolarHBondContact CZ-SD 3.09Å; L192-M215 HydrophobicContact CD1-CE 4.27Å; V211-M215 HydrophobicContact CG1-CE 4.13Å; V211-M215 VanDerWaalsContact O-CG 3.3Å; V211-M215 WeakPolarHBondContact O-CG 3.49Å; V211-M215 PolarHBondContact O-N 2.95Å; I212-M215 WeakPolarHBondContact O-CB 3.34Å; I212-M215 PolarHBondContact O-N 3.29Å; M215-L217 VanDerWaalsContact C-N 3.3Å; M215-L217 PolarHBondContact O-N 2.91Å; M215-L218 WeakPolarHBondContact O-CB 3.33Å; M215-L218 PolarHBondContact O-N 3.19Å; M215-L218 HydrophobicContact SD-CD1 4.09Å; M215-V219 WeakPolarHBondContact O-CG2 3.39Å; M215-V219 PolarHBondContact O-N 3.37Å
216	E	63	Low	58.4	Low	86 Å²	86	35.6 Å²	35.6	40%	0.402	19%	0.185	S	C	.	.	H	α-helix	trans	-60.2	-41.5	176.1	-70.9	170.5	-178.4	0	0	112	I212 V214 V219 T220	I212-E216 HydrophobicContact CG2-CG 4.48Å; I212-E216 WeakPolarHBondContact CG2-OE1 3.49Å; I212-E216 WeakPolarHBondContact O-CG 3.35Å; I212-E216 PolarHBondContact O-N 3.35Å; V214-E216 PolarHBondContact O-N 2.86Å; E216-V219 PolarHBondContact O-N 3.06Å; E216-T220 WeakPolarHBondContact O-CB 3.48Å; E216-T220 PolarHBondContact O-N 3.25Å; E216-T220 PolarHBondContact O-OG1 3.29Å
217	L	63.1	Low	58.7	Low	20 Å²	20	38.2 Å²	38.2	11%	0.105	19%	0.193	C	C	.	.	H	α-helix	trans	-69.9	-35.8	177.8	-75.8	170.8	0	0	0	112.8	W157 I158 T161 K162 T213 V214 M215 T220 Q221	W157-L217 HydrophobicContact CH2-CB 4.37Å; W157-L217 HydrophobicContact CZ3-CB 4.09Å; W157-L217 HydrophobicContact CZ3-CD1 4.38Å; I158-L217 HydrophobicContact CB-CD1 4Å; I158-L217 HydrophobicContact CG1-CD1 3.9Å; I158-L217 HydrophobicContact CG2-CD1 3.67Å; T161-L217 HydrophobicContact CG2-CB 3.9Å; K162-L217 HydrophobicContact CG-CD1 4.4Å; K162-L217 HydrophobicContact CG-CD2 3.81Å; T213-L217 HydrophobicContact CG2-CD1 3.95Å; T213-L217 WeakPolarHBondContact O-CB 3.41Å; T213-L217 VanDerWaalsContact O-CG 3.26Å; T213-L217 WeakPolarHBondContact O-CG 3.33Å; T213-L217 PolarHBondContact O-N 3.39Å; V214-L217 PolarHBondContact O-N 3.48Å; M215-L217 VanDerWaalsContact C-N 3.3Å; M215-L217 PolarHBondContact O-N 2.91Å; L217-T220 PolarHBondContact O-N 3.46Å; L217-Q221 VanDerWaalsContact O-CB 3.24Å; L217-Q221 WeakPolarHBondContact O-CB 3.3Å; L217-Q221 PolarHBondContact O-N 2.91Å
218	L	61.7	Low	58.7	Low	9 Å²	9	40.3 Å²	40.3	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-50.2	172	-74.9	179.6	0	0	0	111	F52 W157 L185 L188 V214 M215 T220 Q221 V222	F52-L218 HydrophobicContact CZ-CD1 4.45Å; W157-L218 HydrophobicContact CH2-CD2 3.65Å; W157-L218 HydrophobicContact CH2-CG 3.85Å; W157-L218 HydrophobicContact CZ2-CD2 3.64Å; W157-L218 HydrophobicContact CZ2-CG 4.3Å; L185-L218 HydrophobicContact CD2-CD2 3.25Å; L188-L218 HydrophobicContact CD2-CD1 3.61Å; L188-L218 HydrophobicContact CD2-CD2 3.93Å; L188-L218 HydrophobicContact CD2-CG 3.99Å; V214-L218 HydrophobicContact CG1-CD1 4.43Å; V214-L218 WeakPolarHBondContact O-CG 3.24Å; V214-L218 PolarHBondContact O-N 3.06Å; M215-L218 WeakPolarHBondContact O-CB 3.33Å; M215-L218 PolarHBondContact O-N 3.19Å; M215-L218 HydrophobicContact SD-CD1 4.09Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.5Å; L218-Q221 PolarHBondContact O-N 2.87Å; L218-Q221 VanDerWaalsContact O-N 3.16Å; L218-V222 VanDerWaalsContact O-CG2 3.26Å; L218-V222 WeakPolarHBondContact O-CG2 3.28Å; L218-V222 PolarHBondContact O-N 3.38Å
219	V	56.4	Low	58.7	Low	23 Å²	23	41.2 Å²	41.2	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-44.3	178.2	172.1	0	0	0	0	110.6	F13 M215 E216 Q221 V222 R223	F13-V219 HydrophobicContact CD1-CG2 4.2Å; F13-V219 HydrophobicContact CE1-CG2 3.73Å; F13-V219 HydrophobicContact CZ-CG2 4.48Å; M215-V219 WeakPolarHBondContact O-CG2 3.39Å; M215-V219 PolarHBondContact O-N 3.37Å; E216-V219 PolarHBondContact O-N 3.06Å; V219-Q221 VanDerWaalsContact C-N 3.35Å; V219-Q221 PolarHBondContact O-N 3.36Å; V219-V222 PolarHBondContact O-N 3.36Å; V219-R223 WeakPolarHBondContact O-CB 3.41Å; V219-R223 PolarHBondContact O-N 2.98Å
220	T	64.7	Low	58.4	Low	65 Å²	65	42.2 Å²	42.2	40%	0.399	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-43.2	176	-58.1	0	0	0	0	111.7	E216 L217 L218 R223 S224	E216-T220 WeakPolarHBondContact O-CB 3.48Å; E216-T220 PolarHBondContact O-N 3.25Å; E216-T220 PolarHBondContact O-OG1 3.29Å; L217-T220 PolarHBondContact O-N 3.46Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.5Å; T220-R223 PolarHBondContact O-N 2.93Å; T220-S224 WeakPolarHBondContact O-CB 3.27Å; T220-S224 PolarHBondContact O-N 3.08Å; T220-S224 PolarHBondContact O-OG 3.38Å; T220-S224 VanDerWaalsContact O-OG 3.11Å
221	Q	62.4	Low	57.7	Low	2 Å²	2	41.8 Å²	41.8	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-44.6	-179.7	-176.8	171.3	51.1	0	0	111.9	T161 N165 I181 L217 L218 V219 R223 S224 F225	T161-Q221 HydrophobicContact CG2-CB 4.31Å; N165-Q221 VanDerWaalsContact OD1-CA 3.25Å; N165-Q221 WeakPolarHBondContact OD1-CA 3.05Å; N165-Q221 VanDerWaalsContact OD1-CB 3.25Å; N165-Q221 WeakPolarHBondContact OD1-CB 3.31Å; N165-Q221 VanDerWaalsContact OD1-CG 3.3Å; N165-Q221 WeakPolarHBondContact OD1-CG 3.3Å; I181-Q221 HydrophobicContact CD1-CG 4.18Å; I181-Q221 HydrophobicContact CG1-CG 3.94Å; L217-Q221 VanDerWaalsContact O-CB 3.24Å; L217-Q221 WeakPolarHBondContact O-CB 3.3Å; L217-Q221 PolarHBondContact O-N 2.91Å; L218-Q221 PolarHBondContact O-N 2.87Å; L218-Q221 VanDerWaalsContact O-N 3.16Å; V219-Q221 VanDerWaalsContact C-N 3.35Å; V219-Q221 PolarHBondContact O-N 3.36Å; Q221-R223 VanDerWaalsContact C-N 3.31Å; Q221-R223 PolarHBondContact O-N 2.85Å; Q221-S224 PolarHBondContact O-N 3.23Å; Q221-F225 WeakPolarHBondContact O-CB 3.34Å; Q221-F225 PolarHBondContact O-N 3Å
222	V	58.5	Low	56.8	Low	23 Å²	23	46.5 Å²	46.5	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-45.2	174.4	174	0	0	0	0	110.3	L59 L218 V219 F225 M226	L59-V222 HydrophobicContact CD1-CG2 3.35Å; L59-V222 HydrophobicContact CD2-CG1 4.11Å; L59-V222 HydrophobicContact CD2-CG2 3.74Å; L59-V222 HydrophobicContact CG-CG2 4.18Å; L218-V222 VanDerWaalsContact O-CG2 3.26Å; L218-V222 WeakPolarHBondContact O-CG2 3.28Å; L218-V222 PolarHBondContact O-N 3.38Å; V219-V222 PolarHBondContact O-N 3.36Å; V222-F225 PolarHBondContact O-N 3.19Å; V222-M226 WeakPolarHBondContact O-CB 3.36Å; V222-M226 VanDerWaalsContact O-CG 3.32Å; V222-M226 WeakPolarHBondContact O-CG 3.44Å; V222-M226 PolarHBondContact O-N 3.32Å
223	R	57.2	Low	55.6	Low	153 Å²	153	48 Å²	48	58%	0.577	26%	0.264	S	S	*	.	H	α-helix	trans	-61.3	-50.8	177.1	-178	-179.5	178	-177.1	0.6	111.8	V219 T220 Q221 F225 M226 I227	V219-R223 WeakPolarHBondContact O-CB 3.41Å; V219-R223 PolarHBondContact O-N 2.98Å; T220-R223 PolarHBondContact O-N 2.93Å; Q221-R223 VanDerWaalsContact C-N 3.31Å; Q221-R223 PolarHBondContact O-N 2.85Å; R223-F225 VanDerWaalsContact C-N 3.32Å; R223-F225 PolarHBondContact O-N 2.7Å; R223-M226 PolarHBondContact O-N 2.97Å; R223-I227 HydrophobicContact CG-CD1 4Å; R223-I227 WeakPolarHBondContact O-CG1 3.3Å; R223-I227 PolarHBondContact O-N 3.21Å
224	S	61.7	Low	54.1	Low	11 Å²	11	52.5 Å²	52.5	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-42.4	179.1	-65.7	0	0	0	0	111.6	I168 T220 Q221 I227 F228	I168-S224 WeakPolarHBondContact CG2-O 3.46Å; T220-S224 WeakPolarHBondContact O-CB 3.27Å; T220-S224 PolarHBondContact O-N 3.08Å; T220-S224 PolarHBondContact O-OG 3.38Å; T220-S224 VanDerWaalsContact O-OG 3.11Å; Q221-S224 PolarHBondContact O-N 3.23Å; S224-I227 PolarHBondContact O-N 2.99Å; S224-F228 WeakPolarHBondContact O-CB 3.32Å; S224-F228 PolarHBondContact O-N 2.98Å
225	F	59.1	Low	52.5	Low	18 Å²	18	56.2 Å²	56.2	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-43.6	176.5	-178.8	-103.3	0	0	0	111.9	L62 I178 I181 Q221 V222 R223 F228 C229	L62-F225 HydrophobicContact CD2-CE1 4.41Å; I178-F225 HydrophobicContact CD1-CE2 4.46Å; I178-F225 HydrophobicContact CD1-CZ 3.94Å; I178-F225 HydrophobicContact CG1-CE1 4.42Å; I178-F225 HydrophobicContact CG1-CE2 3.53Å; I178-F225 HydrophobicContact CG1-CZ 3.29Å; I181-F225 HydrophobicContact CD1-CB 3.77Å; I181-F225 HydrophobicContact CD1-CD1 4.49Å; I181-F225 HydrophobicContact CD1-CD2 3.39Å; I181-F225 HydrophobicContact CD1-CE2 4.15Å; I181-F225 HydrophobicContact CD1-CG 3.61Å; Q221-F225 WeakPolarHBondContact O-CB 3.34Å; Q221-F225 PolarHBondContact O-N 3Å; V222-F225 PolarHBondContact O-N 3.19Å; R223-F225 VanDerWaalsContact C-N 3.32Å; R223-F225 PolarHBondContact O-N 2.7Å; F225-F228 PolarHBondContact O-N 3.18Å; F225-C229 VanDerWaalsContact CE1-SG 3.57Å; F225-C229 WeakPolarHBondContact CE2-SG 3.39Å; F225-C229 WeakPolarHBondContact CZ-SG 3.28Å; F225-C229 WeakPolarHBondContact O-CB 3.06Å; F225-C229 PolarHBondContact O-N 3.37Å; F225-C229 PolarHBondContact O-SG 3.35Å
226	M	52.6	Low	51.1	Low	34 Å²	34	64 Å²	64	17%	0.167	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-46.3	173.7	-73.5	-141.2	-71.7	0	0	111.7	L6 V222 R223 F228 C229 F230	L6-M226 HydrophobicContact CB-CE 4.43Å; L6-M226 HydrophobicContact CD1-SD 4.19Å; V222-M226 WeakPolarHBondContact O-CB 3.36Å; V222-M226 VanDerWaalsContact O-CG 3.32Å; V222-M226 WeakPolarHBondContact O-CG 3.44Å; V222-M226 PolarHBondContact O-N 3.32Å; R223-M226 PolarHBondContact O-N 2.97Å; M226-F228 VanDerWaalsContact C-N 3.25Å; M226-F228 PolarHBondContact O-N 3.29Å; M226-C229 PolarHBondContact O-N 3.47Å; M226-F230 HydrophobicContact CB-CD2 4.12Å; M226-F230 HydrophobicContact CB-CE2 4.37Å; M226-F230 HydrophobicContact CG-CD2 4.49Å; M226-F230 HydrophobicContact CG-CE2 4.26Å; M226-F230 WeakPolarHBondContact O-CB 3.44Å; M226-F230 WeakPolarHBondContact O-CD2 3.49Å; M226-F230 PolarHBondContact O-N 2.96Å; M226-F230 HydrophobicContact SD-CE2 4.31Å
227	I	56.4	Low	49.5	Very low	75 Å²	75	67.6 Å²	67.6	39%	0.385	38%	0.378	S	S	.	.	H	α-helix	trans	-59.3	-39.8	176.4	-67.5	166.4	0	0	0	111	R223 S224 G231	R223-I227 HydrophobicContact CG-CD1 4Å; R223-I227 WeakPolarHBondContact O-CG1 3.3Å; R223-I227 PolarHBondContact O-N 3.21Å; S224-I227 PolarHBondContact O-N 2.99Å; I227-G231 VanDerWaalsContact O-CA 3.28Å; I227-G231 WeakPolarHBondContact O-CA 3.47Å; I227-G231 PolarHBondContact O-N 3.33Å
228	F	56.6	Low	47.8	Very low	61 Å²	61	76.7 Å²	76.7	27%	0.268	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-48.8	177.8	175.7	-93.1	0	0	0	112.7	I168 R171 Y177 S224 F225 M226	I168-F228 HydrophobicContact CG2-CB 3.56Å; I168-F228 HydrophobicContact CG2-CD2 4.28Å; I168-F228 HydrophobicContact CG2-CG 4.04Å; R171-F228 HydrophobicContact CB-CE2 4.35Å; R171-F228 HydrophobicContact CG-CD2 4.3Å; R171-F228 HydrophobicContact CG-CE2 4.44Å; Y177-F228 HydrophobicContact CD2-CD1 4.27Å; Y177-F228 AromaticContact CD2-CE1 3.7Å; Y177-F228 HydrophobicContact CD2-CE1 3.7Å; Y177-F228 HydrophobicContact CD2-CE2 4.34Å; Y177-F228 AromaticContact CD2-CZ 3.75Å; Y177-F228 HydrophobicContact CD2-CZ 3.75Å; Y177-F228 HydrophobicContact CE2-CD2 4.47Å; Y177-F228 AromaticContact CE2-CE1 3.99Å; Y177-F228 HydrophobicContact CE2-CE1 3.99Å; Y177-F228 AromaticContact CE2-CE2 3.8Å; Y177-F228 HydrophobicContact CE2-CE2 3.8Å; Y177-F228 AromaticContact CE2-CZ 3.52Å; Y177-F228 HydrophobicContact CE2-CZ 3.52Å; S224-F228 WeakPolarHBondContact O-CB 3.32Å; S224-F228 PolarHBondContact O-N 2.98Å; F225-F228 PolarHBondContact O-N 3.18Å; M226-F228 VanDerWaalsContact C-N 3.25Å; M226-F228 PolarHBondContact O-N 3.29Å
229	C	52.4	Low	47.1	Very low	42 Å²	42	80.1 Å²	80.1	28%	0.284	45%	0.454	S	S	.	.	H	α-helix	trans	-67.7	-34.9	-179.1	-74.3	0	0	0	0	113.4	F225 M226	F225-C229 VanDerWaalsContact CE1-SG 3.57Å; F225-C229 WeakPolarHBondContact CE2-SG 3.39Å; F225-C229 WeakPolarHBondContact CZ-SG 3.28Å; F225-C229 WeakPolarHBondContact O-CB 3.06Å; F225-C229 PolarHBondContact O-N 3.37Å; F225-C229 PolarHBondContact O-SG 3.35Å; M226-C229 PolarHBondContact O-N 3.47Å
230	F	50.4	Low	46.6	Very low	110 Å²	110	83.1 Å²	83.1	48%	0.482	47%	0.471	S	S	.	.	H	α-helix	trans	-105	-8.5	-172.3	-58.5	-65.4	0	0	0	113.8	I3 M226	I3-F230 HydrophobicContact CD1-CD1 4.01Å; I3-F230 HydrophobicContact CD1-CD2 4.11Å; I3-F230 HydrophobicContact CD1-CE1 3.75Å; I3-F230 HydrophobicContact CD1-CE2 3.88Å; I3-F230 HydrophobicContact CD1-CG 4.21Å; I3-F230 HydrophobicContact CD1-CZ 3.7Å; I3-F230 HydrophobicContact CG1-CE2 4.49Å; I3-F230 HydrophobicContact CG1-CZ 4.41Å; M226-F230 HydrophobicContact CB-CD2 4.12Å; M226-F230 HydrophobicContact CB-CE2 4.37Å; M226-F230 HydrophobicContact CG-CD2 4.49Å; M226-F230 HydrophobicContact CG-CE2 4.26Å; M226-F230 WeakPolarHBondContact O-CB 3.44Å; M226-F230 WeakPolarHBondContact O-CD2 3.49Å; M226-F230 PolarHBondContact O-N 2.96Å; M226-F230 HydrophobicContact SD-CE2 4.31Å
231	G	43.7	Very low	45.6	Very low	28 Å²	28	84.1 Å²	84.1	29%	0.289	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	172.5	179.8	0	0	0	0	0	113.6	I227 G233	I227-G231 VanDerWaalsContact O-CA 3.28Å; I227-G231 WeakPolarHBondContact O-CA 3.47Å; I227-G231 PolarHBondContact O-N 3.33Å; G231-G233 PolarHBondContact O-N 2.81Å
232	N	42	Very low	44.6	Very low	116 Å²	116	88.9 Å²	88.9	62%	0.62	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	30	171.8	-77.4	-9.7	0	0	0	112.7	V234 A235	N232-V234 PolarHBondContact O-N 2.86Å; N232-A235 WeakPolarHBondContact O-CB 3.48Å; N232-A235 PolarHBondContact O-N 3.07Å
233	G	28.8	Very low	43.7	Very low	69 Å²	69	93 Å²	93	71%	0.711	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	0.9	178.8	0	0	0	0	0	114.7	G231	G231-G233 PolarHBondContact O-N 2.81Å
234	V	30	Very low	42.9	Very low	138 Å²	138	89 Å²	89	84%	0.836	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	3.9	171.9	-156.4	0	0	0	0	112.1	N232	N232-V234 PolarHBondContact O-N 2.86Å
235	A	28.2	Very low	41.5	Very low	78 Å²	78	94.6 Å²	94.6	65%	0.645	55%	0.553	S	S	*	*	S	Bend	trans	-90.8	5.6	179.3	0	0	0	0	0	115	N232	N232-A235 WeakPolarHBondContact O-CB 3.48Å; N232-A235 PolarHBondContact O-N 3.07Å
236	Q	25.1	Very low	40.2	Very low	183 Å²	183	100.5 Å²	100.5	86%	0.855	59%	0.589	S	S	*	*			trans	-141.5	81.1	172.6	-71.3	-169	-9.8	0	0	111.2
237	I	28.5	Very low	39.1	Very low	162 Å²	162	106 Å²	106	83%	0.831	62%	0.624	S	S	*	*			trans	-124.7	110.4	145	-56.6	179.6	0	0	0	104.9
238	T	27.5	Very low	37.5	Very low	210 Å²	210	108.8 Å²	108.8	100%	1.288	65%	0.646	S	S	*	*			trans	-42	0	-178.4	-32.5	0	0	0	0	114.4

Retrieved 238 of 238 residues in 326 ms (Link to these results)

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