SM25_SCHMA Loading...

Antigenic integral membrane glycoprotein

Major antigen in the surface tegument.

AlphaFold DB , UniProt , Accession P23126, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 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	42.2	Very low	51.7	Low	243 Å²	243	134 Å²	134	100%	1.197	61%	0.614	S	S	*	*				0	87.8	0	-173.2	170.9	161.7	0	0	108.4	S3	M1-S3 PolarHBondContact O-N 2.86Å
2	F	48.4	Very low	51.1	Low	145 Å²	145	132.4 Å²	132.4	64%	0.636	61%	0.607	S	S	*	*			trans	-68.6	125.8	168	-94.3	-88	0	0	0	107.8	F4 E6	F2-F4 PolarHBondContact O-N 3.25Å; F2-E6 VanDerWaalsContact CD1-OE2 3.24Å; F2-E6 WeakPolarHBondContact CD1-OE2 3.05Å
3	S	53.8	Low	51	Low	65 Å²	65	128.2 Å²	128.2	46%	0.455	60%	0.596	S	S	.	*			trans	-52.8	128.5	-179.4	168.3	0	0	0	0	109.8	M1 H5 E6	M1-S3 PolarHBondContact O-N 2.86Å; S3-H5 PolarHBondContact O-N 3.4Å; S3-H5 VanDerWaalsContact OG-CB 3.26Å; S3-H5 WeakPolarHBondContact OG-CB 3.34Å; S3-H5 PolarHBondContact OG-N 3.09Å; S3-E6 WeakPolarHBondContact O-CB 3.17Å; S3-E6 PolarHBondContact O-N 3.31Å
4	F	57.1	Low	50.9	Low	158 Å²	158	124.2 Å²	124.2	69%	0.693	59%	0.585	S	S	*	*	H	α-helix	trans	-47.6	-29.6	172.5	-178.8	-99.1	0	0	0	111.6	F2 E6 M8	F2-F4 PolarHBondContact O-N 3.25Å; F4-E6 PolarHBondContact O-N 2.89Å; F4-M8 HydrophobicContact CD1-CG 4.03Å; F4-M8 HydrophobicContact CE1-CE 3.76Å; F4-M8 HydrophobicContact CE1-CG 3.78Å; F4-M8 HydrophobicContact CE1-SD 4.33Å; F4-M8 HydrophobicContact CZ-CE 3.83Å; F4-M8 HydrophobicContact CZ-CG 4.13Å; F4-M8 HydrophobicContact CZ-SD 4.22Å; F4-M8 WeakPolarHBondContact O-CB 3.38Å; F4-M8 VanDerWaalsContact O-CG 3.25Å; F4-M8 WeakPolarHBondContact O-CG 3.44Å; F4-M8 PolarHBondContact O-N 2.75Å; F4-M8 VanDerWaalsContact O-N 3.09Å
5	H	52.2	Low	50.7	Low	118 Å²	118	123.3 Å²	123.3	55%	0.546	58%	0.584	S	S	.	*	H	α-helix	trans	-64.4	-35.1	176.7	-160	-1	0	0	0	113.7	S3 K9	S3-H5 PolarHBondContact O-N 3.4Å; S3-H5 VanDerWaalsContact OG-CB 3.26Å; S3-H5 WeakPolarHBondContact OG-CB 3.34Å; S3-H5 PolarHBondContact OG-N 3.09Å; H5-K9 WeakPolarHBondContact O-CG 3.37Å; H5-K9 PolarHBondContact O-N 3.3Å
6	E	55.4	Low	50.3	Low	98 Å²	98	125.3 Å²	125.3	46%	0.458	58%	0.584	S	S	.	*	H	α-helix	trans	-75	-40	-177.9	-139.1	175.2	175.5	0	0	111.6	F2 S3 F4 M8 K9 K10	F2-E6 VanDerWaalsContact CD1-OE2 3.24Å; F2-E6 WeakPolarHBondContact CD1-OE2 3.05Å; S3-E6 WeakPolarHBondContact O-CB 3.17Å; S3-E6 PolarHBondContact O-N 3.31Å; F4-E6 PolarHBondContact O-N 2.89Å; E6-M8 VanDerWaalsContact C-N 3.35Å; E6-K9 PolarHBondContact O-N 3.12Å; E6-K10 PolarHBondContact O-N 3.19Å
7	R	54.6	Low	50.4	Low	167 Å²	167	121.4 Å²	121.4	63%	0.63	57%	0.571	S	S	*	*	H	α-helix	trans	-64.3	-40.3	172.1	-65.3	-172.7	-168.6	-176.8	1.2	111.5	K10 K11	R7-K10 PolarHBondContact O-N 3Å; R7-K11 PolarHBondContact O-N 2.9Å
8	M	51	Low	50.4	Low	82 Å²	82	118.7 Å²	118.7	40%	0.404	56%	0.555	S	S	.	*	H	α-helix	trans	-66	-38.2	175.3	-71.4	-71	-113.3	0	0	112	F4 E6 K11 H12	F4-M8 HydrophobicContact CD1-CG 4.03Å; F4-M8 HydrophobicContact CE1-CE 3.76Å; F4-M8 HydrophobicContact CE1-CG 3.78Å; F4-M8 HydrophobicContact CE1-SD 4.33Å; F4-M8 HydrophobicContact CZ-CE 3.83Å; F4-M8 HydrophobicContact CZ-CG 4.13Å; F4-M8 HydrophobicContact CZ-SD 4.22Å; F4-M8 WeakPolarHBondContact O-CB 3.38Å; F4-M8 VanDerWaalsContact O-CG 3.25Å; F4-M8 WeakPolarHBondContact O-CG 3.44Å; F4-M8 PolarHBondContact O-N 2.75Å; F4-M8 VanDerWaalsContact O-N 3.09Å; E6-M8 VanDerWaalsContact C-N 3.35Å; M8-K11 PolarHBondContact O-N 3.42Å; M8-H12 WeakPolarHBondContact O-CB 3.38Å; M8-H12 PolarHBondContact O-N 2.86Å
9	K	52	Low	50.5	Low	126 Å²	126	120 Å²	120	55%	0.548	56%	0.559	S	S	.	*	H	α-helix	trans	-62.5	-47.6	173.6	-81.3	-178.7	-178.5	-178.9	0	111.6	H5 E6 K11 H12 V13	H5-K9 WeakPolarHBondContact O-CG 3.37Å; H5-K9 PolarHBondContact O-N 3.3Å; E6-K9 PolarHBondContact O-N 3.12Å; K9-K11 PolarHBondContact O-N 3.28Å; K9-H12 PolarHBondContact O-N 3.13Å; K9-V13 WeakPolarHBondContact O-CG2 3.42Å; K9-V13 PolarHBondContact O-N 2.91Å
10	K	51.8	Low	50.6	Low	133 Å²	133	120.6 Å²	120.6	58%	0.578	56%	0.561	S	S	*	*	H	α-helix	trans	-58.3	-47.9	175.7	-73.6	-166.4	177.1	-165	0	111.1	E6 R7 H12 V13 T14 E73	E6-K10 PolarHBondContact O-N 3.19Å; R7-K10 PolarHBondContact O-N 3Å; K10-H12 PolarHBondContact O-N 2.82Å; K10-V13 PolarHBondContact O-N 3.23Å; K10-V13 VanDerWaalsContact O-N 3.17Å; K10-T14 PolarHBondContact O-N 3.08Å; K10-T14 PolarHBondContact O-OG1 3.04Å; K10-T14 VanDerWaalsContact O-OG1 3.04Å; K10-E73 IonicContact NZ-OE1 3.36Å
11	K	49.7	Very low	51	Low	139 Å²	139	116.6 Å²	116.6	60%	0.604	54%	0.543	S	S	*	.	H	α-helix	trans	-57.4	-44.9	175	-75.1	-170.7	176.3	-167.4	0	112.9	R7 M8 K9 V13 T14 I15	R7-K11 PolarHBondContact O-N 2.9Å; M8-K11 PolarHBondContact O-N 3.42Å; K9-K11 PolarHBondContact O-N 3.28Å; K11-V13 VanDerWaalsContact C-N 3.33Å; K11-V13 PolarHBondContact O-N 2.99Å; K11-T14 PolarHBondContact O-N 3.37Å; K11-I15 WeakPolarHBondContact O-CB 3.14Å; K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 WeakPolarHBondContact O-CG1 3.29Å; K11-I15 PolarHBondContact O-N 3.02Å
12	H	45.4	Very low	51.6	Low	115 Å²	115	112.6 Å²	112.6	53%	0.532	51%	0.514	S	S	.	.	H	α-helix	trans	-67.7	-29.1	178.3	-87.7	28.9	0	0	0	113.9	M8 K9 K10 R16	M8-H12 WeakPolarHBondContact O-CB 3.38Å; M8-H12 PolarHBondContact O-N 2.86Å; K9-H12 PolarHBondContact O-N 3.13Å; K10-H12 PolarHBondContact O-N 2.82Å; H12-R16 WeakPolarHBondContact O-CB 3.44Å; H12-R16 WeakPolarHBondContact O-CG 3.2Å; H12-R16 PolarHBondContact O-N 2.89Å; H12-R16 PolarHBondContact O-NE 3.27Å
13	V	50	Low	52	Low	78 Å²	78	109.6 Å²	109.6	47%	0.473	50%	0.504	S	S	.	.	H	α-helix	trans	-71.9	-48.3	173.9	173.5	0	0	0	0	109.6	K9 K10 K11 I15 R16 V17	K9-V13 WeakPolarHBondContact O-CG2 3.42Å; K9-V13 PolarHBondContact O-N 2.91Å; K10-V13 PolarHBondContact O-N 3.23Å; K10-V13 VanDerWaalsContact O-N 3.17Å; K11-V13 VanDerWaalsContact C-N 3.33Å; K11-V13 PolarHBondContact O-N 2.99Å; V13-I15 PolarHBondContact O-N 2.71Å; V13-R16 PolarHBondContact O-N 2.87Å; V13-R16 VanDerWaalsContact O-N 3.15Å; V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.17Å
14	T	49	Very low	52.1	Low	72 Å²	72	110.5 Å²	110.5	44%	0.442	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-43.9	178.9	-48.2	0	0	0	0	112.1	K10 K11 R16 V17 Y18	K10-T14 PolarHBondContact O-N 3.08Å; K10-T14 PolarHBondContact O-OG1 3.04Å; K10-T14 VanDerWaalsContact O-OG1 3.04Å; K11-T14 PolarHBondContact O-N 3.37Å; T14-R16 VanDerWaalsContact C-N 3.34Å; T14-R16 PolarHBondContact O-N 3.48Å; T14-V17 PolarHBondContact O-N 2.88Å; T14-Y18 HydrophobicContact CG2-CD2 4.06Å; T14-Y18 HydrophobicContact CG2-CE2 4.22Å; T14-Y18 WeakPolarHBondContact O-CD2 3.19Å; T14-Y18 PolarHBondContact O-N 3.27Å
15	I	47.7	Very low	52.1	Low	110 Å²	110	105.8 Å²	105.8	56%	0.564	49%	0.487	S	S	*	.	H	α-helix	trans	-63.7	-39.2	177.3	-66.4	164.6	0	0	0	111.4	K11 V13 Y18 K19	K11-I15 WeakPolarHBondContact O-CB 3.14Å; K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 WeakPolarHBondContact O-CG1 3.29Å; K11-I15 PolarHBondContact O-N 3.02Å; V13-I15 PolarHBondContact O-N 2.71Å; I15-Y18 PolarHBondContact O-N 3.43Å; I15-K19 PolarHBondContact O-N 3.34Å
16	R	45.2	Very low	52.2	Low	156 Å²	156	106.5 Å²	106.5	59%	0.589	49%	0.489	S	S	*	.	H	α-helix	trans	-66.1	-43.2	176.8	-82.3	-171.5	-76.2	-178.4	-1.4	111.6	H12 V13 T14 K19 H20	H12-R16 WeakPolarHBondContact O-CB 3.44Å; H12-R16 WeakPolarHBondContact O-CG 3.2Å; H12-R16 PolarHBondContact O-N 2.89Å; H12-R16 PolarHBondContact O-NE 3.27Å; V13-R16 PolarHBondContact O-N 2.87Å; V13-R16 VanDerWaalsContact O-N 3.15Å; T14-R16 VanDerWaalsContact C-N 3.34Å; T14-R16 PolarHBondContact O-N 3.48Å; R16-K19 PolarHBondContact O-N 3.48Å; R16-H20 PolarHBondContact O-CD2 3.34Å; R16-H20 PolarHBondContact O-N 3.47Å
17	V	51.6	Low	52.2	Low	58 Å²	58	106.5 Å²	106.5	35%	0.352	49%	0.492	S	S	.	.	H	α-helix	trans	-60.9	-47	176.3	173.8	0	0	0	0	110.5	V13 T14 K19 H20 E21	V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.17Å; T14-V17 PolarHBondContact O-N 2.88Å; V17-K19 VanDerWaalsContact C-N 3.33Å; V17-K19 PolarHBondContact O-N 3.48Å; V17-H20 PolarHBondContact O-N 3.17Å; V17-H20 VanDerWaalsContact O-N 3.12Å; V17-E21 HydrophobicContact CG1-CG 4.27Å; V17-E21 VanDerWaalsContact CG1-OE1 3.25Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.15Å; V17-E21 WeakPolarHBondContact O-CG 3.29Å; V17-E21 PolarHBondContact O-N 3.41Å
18	Y	49.5	Very low	52.4	Low	73 Å²	73	101.8 Å²	101.8	29%	0.286	48%	0.476	S	S	.	.	H	α-helix	trans	-58.7	-40.8	176.3	-101.8	-89.9	0	0	0	113.2	T14 I15 H20 R22 K181	T14-Y18 HydrophobicContact CG2-CD2 4.06Å; T14-Y18 HydrophobicContact CG2-CE2 4.22Å; T14-Y18 WeakPolarHBondContact O-CD2 3.19Å; T14-Y18 PolarHBondContact O-N 3.27Å; I15-Y18 PolarHBondContact O-N 3.43Å; Y18-H20 VanDerWaalsContact C-N 3.35Å; Y18-R22 WeakPolarHBondContact O-CB 3.47Å; Y18-R22 VanDerWaalsContact O-CG 3.29Å; Y18-R22 WeakPolarHBondContact O-CG 3.24Å; Y18-R22 PolarHBondContact O-N 3Å; Y18-K181 HydrophobicContact CE2-CD 4.2Å
19	K	53.4	Low	52.8	Low	144 Å²	144	101.3 Å²	101.3	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-66.6	-38.8	177.6	-167.2	174.6	-179.1	178.2	0	111.4	I15 R16 V17 I23	I15-K19 PolarHBondContact O-N 3.34Å; R16-K19 PolarHBondContact O-N 3.48Å; V17-K19 VanDerWaalsContact C-N 3.33Å; V17-K19 PolarHBondContact O-N 3.48Å; K19-I23 HydrophobicContact CG-CD1 4.03Å; K19-I23 WeakPolarHBondContact O-CB 3.37Å; K19-I23 WeakPolarHBondContact O-CD1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.25Å; K19-I23 PolarHBondContact O-N 3.31Å; K19-I23 VanDerWaalsContact O-N 3.07Å
20	H	52.9	Low	52.9	Low	131 Å²	131	98.7 Å²	98.7	61%	0.606	47%	0.469	S	S	*	.	H	α-helix	trans	-68.7	-44.1	176.3	-81.3	-69.9	0	0	0	112.4	R16 V17 Y18 I23 L24	R16-H20 PolarHBondContact O-CD2 3.34Å; R16-H20 PolarHBondContact O-N 3.47Å; V17-H20 PolarHBondContact O-N 3.17Å; V17-H20 VanDerWaalsContact O-N 3.12Å; Y18-H20 VanDerWaalsContact C-N 3.35Å; H20-I23 PolarHBondContact O-N 3.23Å; H20-L24 WeakPolarHBondContact O-CB 3.39Å; H20-L24 PolarHBondContact O-N 2.9Å
21	E	57.8	Low	53.1	Low	38 Å²	38	95.9 Å²	95.9	18%	0.178	46%	0.457	C	S	.	.	H	α-helix	trans	-59.4	-47.5	175.8	-73.4	174.2	-173.8	0	0	110.8	V17 I23 L24 V25 K181	V17-E21 HydrophobicContact CG1-CG 4.27Å; V17-E21 VanDerWaalsContact CG1-OE1 3.25Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.15Å; V17-E21 WeakPolarHBondContact O-CG 3.29Å; V17-E21 PolarHBondContact O-N 3.41Å; E21-I23 PolarHBondContact O-N 3.29Å; E21-L24 PolarHBondContact O-N 3.43Å; E21-V25 WeakPolarHBondContact O-CG2 3.2Å; E21-V25 PolarHBondContact O-N 2.83Å; E21-K181 IonicContact OE1-NZ 3.63Å; E21-K181 PolarHBondContact OE1-NZ 2.84Å; E21-K181 IonicContact OE2-NZ 3.69Å; E21-K181 PolarHBondContact OE2-NZ 2.88Å
22	R	56	Low	53.5	Low	158 Å²	158	91.8 Å²	91.8	60%	0.596	44%	0.441	S	S	*	.	H	α-helix	trans	-62.5	-43.1	178	-74	-179.4	177.5	-172.6	0.6	113	Y18 L24 F26 E133	Y18-R22 WeakPolarHBondContact O-CB 3.47Å; Y18-R22 VanDerWaalsContact O-CG 3.29Å; Y18-R22 WeakPolarHBondContact O-CG 3.24Å; Y18-R22 PolarHBondContact O-N 3Å; R22-L24 VanDerWaalsContact C-N 3.31Å; R22-L24 PolarHBondContact O-N 3.31Å; R22-F26 VanDerWaalsContact O-CB 3.3Å; R22-F26 WeakPolarHBondContact O-CB 3.43Å; R22-F26 PolarHBondContact O-N 3.33Å; R22-E133 IonicContact NH2-OE1 2.86Å
23	I	55.6	Low	53.9	Low	83 Å²	83	89.8 Å²	89.8	43%	0.426	44%	0.44	S	S	.	.	H	α-helix	trans	-63	-40.7	176.6	-70.8	165.4	0	0	0	110.3	K19 H20 E21 F26 L27	K19-I23 HydrophobicContact CG-CD1 4.03Å; K19-I23 WeakPolarHBondContact O-CB 3.37Å; K19-I23 WeakPolarHBondContact O-CD1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.25Å; K19-I23 PolarHBondContact O-N 3.31Å; K19-I23 VanDerWaalsContact O-N 3.07Å; H20-I23 PolarHBondContact O-N 3.23Å; E21-I23 PolarHBondContact O-N 3.29Å; I23-F26 PolarHBondContact O-N 3.38Å; I23-L27 HydrophobicContact CG2-CD1 3.81Å; I23-L27 HydrophobicContact CG2-CG 4.18Å; I23-L27 WeakPolarHBondContact O-CB 3.45Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.32Å; I23-L27 PolarHBondContact O-N 3.41Å
24	L	57.2	Low	54.1	Low	83 Å²	83	91 Å²	91	44%	0.435	45%	0.448	S	S	.	.	H	α-helix	trans	-67.4	-44.1	-179.2	-159.1	94.4	0	0	0	111.8	H20 E21 R22 F26 L27 F28 Y58	H20-L24 WeakPolarHBondContact O-CB 3.39Å; H20-L24 PolarHBondContact O-N 2.9Å; E21-L24 PolarHBondContact O-N 3.43Å; R22-L24 VanDerWaalsContact C-N 3.31Å; R22-L24 PolarHBondContact O-N 3.31Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.5Å; L24-L27 PolarHBondContact O-N 3.24Å; L24-F28 WeakPolarHBondContact O-CB 3.33Å; L24-F28 PolarHBondContact O-N 2.87Å; L24-Y58 HydrophobicContact CD2-CE1 4.28Å
25	V	57	Low	54.3	Low	60 Å²	60	89.3 Å²	89.3	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-43.5	174.8	175	0	0	0	0	110.3	E21 F28 V29	E21-V25 WeakPolarHBondContact O-CG2 3.2Å; E21-V25 PolarHBondContact O-N 2.83Å; V25-F28 PolarHBondContact O-N 3.21Å; V25-V29 WeakPolarHBondContact O-CG2 3.43Å; V25-V29 PolarHBondContact O-N 2.95Å
26	F	53.3	Low	54.3	Low	132 Å²	132	90.3 Å²	90.3	58%	0.579	44%	0.444	S	S	*	.	H	α-helix	trans	-63.7	-41.4	176.3	-170.9	-101.3	0	0	0	112.4	R22 I23 L24 F28 V29 L30	R22-F26 VanDerWaalsContact O-CB 3.3Å; R22-F26 WeakPolarHBondContact O-CB 3.43Å; R22-F26 PolarHBondContact O-N 3.33Å; I23-F26 PolarHBondContact O-N 3.38Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.5Å; F26-F28 VanDerWaalsContact C-N 3.33Å; F26-F28 PolarHBondContact O-N 2.91Å; F26-V29 PolarHBondContact O-N 3.25Å; F26-L30 HydrophobicContact CD1-CD1 3.64Å; F26-L30 HydrophobicContact CD1-CG 4.15Å; F26-L30 HydrophobicContact CE1-CD1 3.29Å; F26-L30 HydrophobicContact CE1-CG 3.88Å; F26-L30 HydrophobicContact CZ-CD1 4.06Å; F26-L30 HydrophobicContact CZ-CG 4.24Å; F26-L30 WeakPolarHBondContact O-CB 3.46Å; F26-L30 WeakPolarHBondContact O-CG 3.43Å; F26-L30 PolarHBondContact O-N 2.96Å
27	L	55.1	Low	54.6	Low	99 Å²	99	88.9 Å²	88.9	52%	0.518	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-37.1	174.6	-75.9	173.6	0	0	0	111.9	I23 L24 L30 F31	I23-L27 HydrophobicContact CG2-CD1 3.81Å; I23-L27 HydrophobicContact CG2-CG 4.18Å; I23-L27 WeakPolarHBondContact O-CB 3.45Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.32Å; I23-L27 PolarHBondContact O-N 3.41Å; L24-L27 PolarHBondContact O-N 3.24Å; L27-L30 PolarHBondContact O-N 2.88Å; L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 3.05Å
28	F	59.7	Low	54.6	Low	67 Å²	67	91.1 Å²	91.1	29%	0.294	46%	0.46	S	S	.	.	H	α-helix	trans	-68	-44	176.1	-173.1	-104.6	0	0	0	111.6	L24 V25 F26 F31 I32 V51 V170	L24-F28 WeakPolarHBondContact O-CB 3.33Å; L24-F28 PolarHBondContact O-N 2.87Å; V25-F28 PolarHBondContact O-N 3.21Å; F26-F28 VanDerWaalsContact C-N 3.33Å; F26-F28 PolarHBondContact O-N 2.91Å; F28-F31 PolarHBondContact O-N 3.22Å; F28-I32 HydrophobicContact CD1-CD1 3.71Å; F28-I32 HydrophobicContact CE1-CD1 3.32Å; F28-I32 HydrophobicContact CE1-CG1 4.43Å; F28-I32 HydrophobicContact CE2-CD1 4.47Å; F28-I32 HydrophobicContact CG-CD1 4.44Å; F28-I32 HydrophobicContact CZ-CD1 3.75Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 2.99Å; F28-V51 HydrophobicContact CE2-CG1 4.18Å; F28-V170 HydrophobicContact CE1-CG2 4.06Å
29	V	58.4	Low	54.5	Low	73 Å²	73	91.9 Å²	91.9	44%	0.442	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-42.2	174.3	172.6	0	0	0	0	111.1	V25 F26 I32 S33	V25-V29 WeakPolarHBondContact O-CG2 3.43Å; V25-V29 PolarHBondContact O-N 2.95Å; F26-V29 PolarHBondContact O-N 3.25Å; V29-I32 PolarHBondContact O-N 3.43Å; V29-S33 VanDerWaalsContact O-CB 3.32Å; V29-S33 WeakPolarHBondContact O-CB 3.42Å; V29-S33 PolarHBondContact O-N 3.19Å; V29-S33 PolarHBondContact O-OG 3.38Å
30	L	54.2	Low	54.5	Low	71 Å²	71	91.4 Å²	91.4	37%	0.372	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-44.7	173.9	-83.3	178.3	0	0	0	111.5	F26 L27 I32 S33 T34	F26-L30 HydrophobicContact CD1-CD1 3.64Å; F26-L30 HydrophobicContact CD1-CG 4.15Å; F26-L30 HydrophobicContact CE1-CD1 3.29Å; F26-L30 HydrophobicContact CE1-CG 3.88Å; F26-L30 HydrophobicContact CZ-CD1 4.06Å; F26-L30 HydrophobicContact CZ-CG 4.24Å; F26-L30 WeakPolarHBondContact O-CB 3.46Å; F26-L30 WeakPolarHBondContact O-CG 3.43Å; F26-L30 PolarHBondContact O-N 2.96Å; L27-L30 PolarHBondContact O-N 2.88Å; L30-I32 VanDerWaalsContact C-N 3.33Å; L30-I32 PolarHBondContact O-N 3.49Å; L30-S33 CarbonylContact O-C 3.52Å; L30-S33 WeakPolarHBondContact O-CA 3.27Å; L30-S33 PolarHBondContact O-N 3.15Å; L30-T34 WeakPolarHBondContact O-CB 3.33Å; L30-T34 WeakPolarHBondContact O-CG2 3.32Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 2.95Å
31	F	56.7	Low	54.5	Low	74 Å²	74	90.8 Å²	90.8	33%	0.325	47%	0.473	S	S	.	.	H	α-helix	trans	-59.7	-43.3	179.2	-178.3	-97.4	0	0	0	111.7	L27 F28 S33 T34 T35 I47	L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 3.05Å; F28-F31 PolarHBondContact O-N 3.22Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-T34 PolarHBondContact O-OG1 3.34Å; F31-T35 PolarHBondContact O-N 3.25Å; F31-T35 PolarHBondContact O-OG1 3.31Å; F31-I47 HydrophobicContact CE1-CG2 4.38Å; F31-I47 HydrophobicContact CZ-CG2 3.64Å
32	I	57.3	Low	54.4	Low	52 Å²	52	95 Å²	95	27%	0.267	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-35.8	173.3	-68.3	170.2	0	0	0	111.4	F28 V29 L30 T35 F163	F28-I32 HydrophobicContact CD1-CD1 3.71Å; F28-I32 HydrophobicContact CE1-CD1 3.32Å; F28-I32 HydrophobicContact CE1-CG1 4.43Å; F28-I32 HydrophobicContact CE2-CD1 4.47Å; F28-I32 HydrophobicContact CG-CD1 4.44Å; F28-I32 HydrophobicContact CZ-CD1 3.75Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 2.99Å; V29-I32 PolarHBondContact O-N 3.43Å; L30-I32 VanDerWaalsContact C-N 3.33Å; L30-I32 PolarHBondContact O-N 3.49Å; I32-T35 PolarHBondContact O-OG1 2.86Å; I32-F163 HydrophobicContact CG2-CE2 3.88Å; I32-F163 HydrophobicContact CG2-CZ 4.47Å
33	S	53.7	Low	54.4	Low	74 Å²	74	91.8 Å²	91.8	52%	0.517	49%	0.488	S	S	.	.	H	α-helix	trans	-76.7	-27.8	-178.8	-59.4	0	0	0	0	113.3	V29 L30 F31	V29-S33 VanDerWaalsContact O-CB 3.32Å; V29-S33 WeakPolarHBondContact O-CB 3.42Å; V29-S33 PolarHBondContact O-N 3.19Å; V29-S33 PolarHBondContact O-OG 3.38Å; L30-S33 CarbonylContact O-C 3.52Å; L30-S33 WeakPolarHBondContact O-CA 3.27Å; L30-S33 PolarHBondContact O-N 3.15Å; F31-S33 VanDerWaalsContact C-N 3.31Å
34	T	54.3	Low	54.3	Low	103 Å²	103	88.6 Å²	88.6	63%	0.632	47%	0.472	S	S	*	.	H	α-helix	trans	-95.5	-8.1	-178.6	56.3	0	0	0	0	113.6	L30 F31 D36	L30-T34 WeakPolarHBondContact O-CB 3.33Å; L30-T34 WeakPolarHBondContact O-CG2 3.32Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 2.95Å; F31-T34 PolarHBondContact O-OG1 3.34Å; T34-D36 VanDerWaalsContact C-N 3.29Å; T34-D36 PolarHBondContact O-N 3.37Å
35	T	52.9	Low	54.1	Low	37 Å²	37	90.4 Å²	90.4	23%	0.227	48%	0.478	C	S	.	.			trans	-72.2	89.9	172.2	3.7	0	0	0	0	108.9	F31 I32 F37	F31-T35 PolarHBondContact O-N 3.25Å; F31-T35 PolarHBondContact O-OG1 3.31Å; I32-T35 PolarHBondContact O-OG1 2.86Å; T35-F37 VanDerWaalsContact O-CD2 3.24Å; T35-F37 WeakPolarHBondContact O-CD2 3.26Å; T35-F37 WeakPolarHBondContact O-CE2 3.25Å; T35-F37 PolarHBondContact O-N 2.71Å; T35-F37 VanDerWaalsContact O-N 3.1Å
36	D	48.5	Very low	54	Low	130 Å²	130	91 Å²	91	70%	0.695	48%	0.482	S	S	*	.			trans	-64.8	108.7	166.7	-155.1	-15.1	0	0	0	107.4	T34 S38	T34-D36 VanDerWaalsContact C-N 3.29Å; T34-D36 PolarHBondContact O-N 3.37Å; D36-S38 PolarHBondContact O-N 3.29Å
37	F	52.6	Low	54.2	Low	127 Å²	127	87.6 Å²	87.6	56%	0.557	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	8.6	-170.2	-70.7	-85.1	0	0	0	114.2	T35	T35-F37 VanDerWaalsContact O-CD2 3.24Å; T35-F37 WeakPolarHBondContact O-CD2 3.26Å; T35-F37 WeakPolarHBondContact O-CE2 3.25Å; T35-F37 PolarHBondContact O-N 2.71Å; T35-F37 VanDerWaalsContact O-N 3.1Å
38	S	51.3	Low	54.3	Low	104 Å²	104	86 Å²	86	73%	0.727	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-9.3	-170.6	-165.3	0	0	0	0	114.6	D36	D36-S38 PolarHBondContact O-N 3.29Å
39	T	47.6	Very low	54.1	Low	89 Å²	89	90.5 Å²	90.5	55%	0.546	48%	0.476	S	S	.	.	S	Bend	trans	-125.6	101.9	-170.2	-6.3	0	0	0	0	111.1
40	E	52.5	Low	54	Low	134 Å²	134	90.9 Å²	90.9	63%	0.626	48%	0.475	S	S	*	.			trans	63.4	84.9	171.2	-58.5	-170.4	-171.3	0	0	116.1	I42 M43 I44	E40-I42 PolarHBondContact O-N 3.46Å; E40-M43 HydrophobicContact CB-CB 3.66Å; E40-M43 WeakPolarHBondContact O-CA 3.49Å; E40-M43 WeakPolarHBondContact O-CB 3.29Å; E40-M43 PolarHBondContact O-N 3.47Å; E40-I44 PolarHBondContact O-N 2.89Å
41	I	53.6	Low	54.2	Low	119 Å²	119	89.5 Å²	89.5	61%	0.61	47%	0.47	S	S	*	.	H	α-helix	trans	-44.5	-35.6	172.2	-65.5	169.4	0	0	0	112.7	Q45	I41-Q45 WeakPolarHBondContact O-CG 3.4Å; I41-Q45 PolarHBondContact O-N 2.92Å
42	I	55.3	Low	54.2	Low	127 Å²	127	91.1 Å²	91.1	65%	0.651	47%	0.473	S	S	*	.	H	α-helix	trans	-73.3	-40.2	178.5	-62.3	168.7	0	0	0	111.6	E40 Q45 T46	E40-I42 PolarHBondContact O-N 3.46Å; I42-Q45 PolarHBondContact O-N 3.19Å; I42-T46 WeakPolarHBondContact O-CB 3.33Å; I42-T46 PolarHBondContact O-N 2.85Å; I42-T46 PolarHBondContact O-OG1 3.48Å
43	M	54.9	Low	54	Low	89 Å²	89	93.6 Å²	93.6	44%	0.438	48%	0.482	S	S	.	.	H	α-helix	trans	-65.9	-42.7	176.1	-167.6	-178.6	65.5	0	0	110.2	E40 Q45 T46 I47	E40-M43 HydrophobicContact CB-CB 3.66Å; E40-M43 WeakPolarHBondContact O-CA 3.49Å; E40-M43 WeakPolarHBondContact O-CB 3.29Å; E40-M43 PolarHBondContact O-N 3.47Å; M43-Q45 PolarHBondContact O-N 3.46Å; M43-T46 PolarHBondContact O-N 3.46Å; M43-I47 HydrophobicContact CE-CD1 4.44Å; M43-I47 HydrophobicContact CG-CD1 3.73Å; M43-I47 HydrophobicContact CG-CG1 4.37Å; M43-I47 WeakPolarHBondContact O-CB 3.49Å; M43-I47 WeakPolarHBondContact O-CG1 3.45Å; M43-I47 PolarHBondContact O-N 3.04Å; M43-I47 HydrophobicContact SD-CD1 4.4Å
44	I	54.9	Low	53.9	Low	16 Å²	16	95.2 Å²	95.2	8%	0.082	48%	0.484	C	S	.	.	H	α-helix	trans	-61.4	-44.8	175.9	-64.5	170	0	0	0	111.1	E40 I47 N48	E40-I44 PolarHBondContact O-N 2.89Å; I44-I47 PolarHBondContact O-N 3.48Å; I44-N48 VanDerWaalsContact O-CB 3.24Å; I44-N48 WeakPolarHBondContact O-CB 3.31Å; I44-N48 VanDerWaalsContact O-CG 3.23Å; I44-N48 PolarHBondContact O-N 3.45Å; I44-N48 PolarHBondContact O-ND2 3.44Å
45	Q	53.3	Low	54.2	Low	121 Å²	121	92.9 Å²	92.9	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-62.8	-42.9	175.9	-79	-179.6	-17.4	0	0	112.5	I41 I42 M43 N48 W49	I41-Q45 WeakPolarHBondContact O-CG 3.4Å; I41-Q45 PolarHBondContact O-N 2.92Å; I42-Q45 PolarHBondContact O-N 3.19Å; M43-Q45 PolarHBondContact O-N 3.46Å; Q45-N48 PolarHBondContact O-N 2.87Å; Q45-W49 VanDerWaalsContact O-CB 3.28Å; Q45-W49 WeakPolarHBondContact O-CB 3.36Å; Q45-W49 PolarHBondContact O-N 2.98Å
46	T	54.5	Low	54.1	Low	72 Å²	72	95.3 Å²	95.3	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-44.6	179.5	-54.7	0	0	0	0	110.9	I42 M43 W49 I50	I42-T46 WeakPolarHBondContact O-CB 3.33Å; I42-T46 PolarHBondContact O-N 2.85Å; I42-T46 PolarHBondContact O-OG1 3.48Å; M43-T46 PolarHBondContact O-N 3.46Å; T46-W49 PolarHBondContact O-N 3.09Å; T46-I50 HydrophobicContact CG2-CD1 4.09Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.42Å; T46-I50 PolarHBondContact O-N 3.45Å
47	I	57.5	Low	54.2	Low	62 Å²	62	93.5 Å²	93.5	32%	0.318	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-46.2	177.1	-66.2	166.4	0	0	0	110.2	F31 M43 I44 W49 I50 V51	F31-I47 HydrophobicContact CE1-CG2 4.38Å; F31-I47 HydrophobicContact CZ-CG2 3.64Å; M43-I47 HydrophobicContact CE-CD1 4.44Å; M43-I47 HydrophobicContact CG-CD1 3.73Å; M43-I47 HydrophobicContact CG-CG1 4.37Å; M43-I47 WeakPolarHBondContact O-CB 3.49Å; M43-I47 WeakPolarHBondContact O-CG1 3.45Å; M43-I47 PolarHBondContact O-N 3.04Å; M43-I47 HydrophobicContact SD-CD1 4.4Å; I44-I47 PolarHBondContact O-N 3.48Å; I47-W49 VanDerWaalsContact C-N 3.28Å; I47-W49 PolarHBondContact O-N 3.3Å; I47-I50 PolarHBondContact O-N 2.83Å; I47-V51 HydrophobicContact CG2-CG2 4.2Å; I47-V51 WeakPolarHBondContact O-CB 3.45Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.29Å; I47-V51 PolarHBondContact O-N 3.24Å
48	N	57.7	Low	54.3	Low	66 Å²	66	92.2 Å²	92.2	35%	0.353	46%	0.458	S	S	.	.	H	α-helix	trans	-58.4	-41.1	175.3	-78	-15.6	0	0	0	111.6	I44 Q45 V51 W52	I44-N48 VanDerWaalsContact O-CB 3.24Å; I44-N48 WeakPolarHBondContact O-CB 3.31Å; I44-N48 VanDerWaalsContact O-CG 3.23Å; I44-N48 PolarHBondContact O-N 3.45Å; I44-N48 PolarHBondContact O-ND2 3.44Å; Q45-N48 PolarHBondContact O-N 2.87Å; N48-V51 PolarHBondContact O-N 3.01Å; N48-W52 WeakPolarHBondContact O-CB 3.46Å; N48-W52 PolarHBondContact O-N 2.85Å
49	W	55.4	Low	54.5	Low	161 Å²	161	89.2 Å²	89.2	61%	0.61	43%	0.433	S	S	*	.	H	α-helix	trans	-64.4	-42.6	176.4	-176.5	89.8	0	0	0	112.5	Q45 T46 I47 W52 K53	Q45-W49 VanDerWaalsContact O-CB 3.28Å; Q45-W49 WeakPolarHBondContact O-CB 3.36Å; Q45-W49 PolarHBondContact O-N 2.98Å; T46-W49 PolarHBondContact O-N 3.09Å; I47-W49 VanDerWaalsContact C-N 3.28Å; I47-W49 PolarHBondContact O-N 3.3Å; W49-W52 WeakPolarHBondContact O-CB 3.24Å; W49-W52 PolarHBondContact O-N 3.46Å; W49-K53 HydrophobicContact CD2-CG 4.28Å; W49-K53 HydrophobicContact CE3-CG 4.32Å; W49-K53 HydrophobicContact CH2-CG 4.25Å; W49-K53 HydrophobicContact CZ2-CD 4.44Å; W49-K53 VanDerWaalsContact CZ2-CE 3.43Å; W49-K53 HydrophobicContact CZ2-CG 4.21Å; W49-K53 HydrophobicContact CZ3-CG 4.3Å; W49-K53 WeakPolarHBondContact O-CG 3.29Å; W49-K53 PolarHBondContact O-N 2.84Å
50	I	55.2	Low	54.4	Low	80 Å²	80	88.1 Å²	88.1	41%	0.41	43%	0.429	S	S	.	.	H	α-helix	trans	-63.7	-46.4	175.2	-68.4	166.5	0	0	0	110.6	T46 I47 W52 K53 L54	T46-I50 HydrophobicContact CG2-CD1 4.09Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.42Å; T46-I50 PolarHBondContact O-N 3.45Å; I47-I50 PolarHBondContact O-N 2.83Å; I50-W52 VanDerWaalsContact C-N 3.31Å; I50-W52 PolarHBondContact O-N 3.32Å; I50-K53 PolarHBondContact O-N 3.31Å; I50-K53 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 4.09Å; I50-L54 HydrophobicContact CG2-CG 4.47Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 3.47Å
51	V	59.6	Low	54.4	Low	43 Å²	43	86.5 Å²	86.5	26%	0.261	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-42.6	177.5	171.9	0	0	0	0	110.4	F28 I47 N48 K53 L54 F55	F28-V51 HydrophobicContact CE2-CG1 4.18Å; I47-V51 HydrophobicContact CG2-CG2 4.2Å; I47-V51 WeakPolarHBondContact O-CB 3.45Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.29Å; I47-V51 PolarHBondContact O-N 3.24Å; N48-V51 PolarHBondContact O-N 3.01Å; V51-K53 PolarHBondContact O-N 3.47Å; V51-L54 PolarHBondContact O-N 2.97Å; V51-F55 VanDerWaalsContact O-CB 3.27Å; V51-F55 WeakPolarHBondContact O-CB 3.34Å; V51-F55 PolarHBondContact O-N 2.95Å
52	W	55.9	Low	54.5	Low	107 Å²	107	83.2 Å²	83.2	41%	0.405	41%	0.408	S	S	.	.	H	α-helix	trans	-58.3	-44.8	173.3	-96.1	111.1	0	0	0	112.8	N48 W49 I50 F55 I56 I169	N48-W52 WeakPolarHBondContact O-CB 3.46Å; N48-W52 PolarHBondContact O-N 2.85Å; W49-W52 WeakPolarHBondContact O-CB 3.24Å; W49-W52 PolarHBondContact O-N 3.46Å; I50-W52 VanDerWaalsContact C-N 3.31Å; I50-W52 PolarHBondContact O-N 3.32Å; W52-F55 HydrophobicContact CE3-CD1 4.44Å; W52-F55 HydrophobicContact CZ3-CD1 4.28Å; W52-F55 PolarHBondContact O-N 3.39Å; W52-I56 HydrophobicContact CE3-CD1 4.45Å; W52-I56 VanDerWaalsContact O-CG1 3.3Å; W52-I56 WeakPolarHBondContact O-CG1 3.29Å; W52-I56 PolarHBondContact O-N 3.27Å; W52-I169 HydrophobicContact CH2-CD1 3.7Å; W52-I169 HydrophobicContact CH2-CG2 4.43Å
53	K	52.8	Low	54.2	Low	104 Å²	104	81.5 Å²	81.5	45%	0.452	40%	0.4	S	S	.	.	H	α-helix	trans	-63.2	-45.4	177.1	-72.7	-69.6	-174.1	-180	0	111.6	W49 I50 V51 F55 I56 I57	W49-K53 HydrophobicContact CD2-CG 4.28Å; W49-K53 HydrophobicContact CE3-CG 4.32Å; W49-K53 HydrophobicContact CH2-CG 4.25Å; W49-K53 HydrophobicContact CZ2-CD 4.44Å; W49-K53 VanDerWaalsContact CZ2-CE 3.43Å; W49-K53 HydrophobicContact CZ2-CG 4.21Å; W49-K53 HydrophobicContact CZ3-CG 4.3Å; W49-K53 WeakPolarHBondContact O-CG 3.29Å; W49-K53 PolarHBondContact O-N 2.84Å; I50-K53 PolarHBondContact O-N 3.31Å; I50-K53 VanDerWaalsContact O-N 3.16Å; V51-K53 PolarHBondContact O-N 3.47Å; K53-F55 VanDerWaalsContact C-N 3.32Å; K53-F55 PolarHBondContact O-N 2.84Å; K53-I56 PolarHBondContact O-N 2.91Å; K53-I57 WeakPolarHBondContact O-CD1 3.35Å; K53-I57 VanDerWaalsContact O-CG1 3.23Å; K53-I57 WeakPolarHBondContact O-CG1 3.25Å; K53-I57 PolarHBondContact O-N 3.32Å
54	L	52.6	Low	53.7	Low	108 Å²	108	83.3 Å²	83.3	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-63.4	-38.8	176.8	-70.4	174.8	0	0	0	111.9	I50 V51 I57 Y58	I50-L54 HydrophobicContact CG2-CD1 4.09Å; I50-L54 HydrophobicContact CG2-CG 4.47Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 3.47Å; V51-L54 PolarHBondContact O-N 2.97Å; L54-I57 PolarHBondContact O-N 2.95Å; L54-Y58 WeakPolarHBondContact O-CB 3.18Å; L54-Y58 PolarHBondContact O-N 3.46Å
55	F	59.9	Low	53.5	Low	55 Å²	55	85.5 Å²	85.5	24%	0.241	42%	0.422	C	S	.	.	H	α-helix	trans	-64.8	-44.8	177.2	-173.6	-109.2	0	0	0	112.3	V51 W52 K53 I57 Y58 I59 L173	V51-F55 VanDerWaalsContact O-CB 3.27Å; V51-F55 WeakPolarHBondContact O-CB 3.34Å; V51-F55 PolarHBondContact O-N 2.95Å; W52-F55 HydrophobicContact CE3-CD1 4.44Å; W52-F55 HydrophobicContact CZ3-CD1 4.28Å; W52-F55 PolarHBondContact O-N 3.39Å; K53-F55 VanDerWaalsContact C-N 3.32Å; K53-F55 PolarHBondContact O-N 2.84Å; F55-I57 VanDerWaalsContact C-N 3.33Å; F55-I57 PolarHBondContact O-N 3.27Å; F55-Y58 PolarHBondContact O-N 3.39Å; F55-I59 HydrophobicContact CD1-CD1 3.73Å; F55-I59 HydrophobicContact CE1-CD1 3.33Å; F55-I59 HydrophobicContact CE1-CG1 4.41Å; F55-I59 HydrophobicContact CE2-CD1 4.33Å; F55-I59 HydrophobicContact CG-CD1 4.4Å; F55-I59 HydrophobicContact CZ-CD1 3.67Å; F55-I59 HydrophobicContact CZ-CG1 4.43Å; F55-I59 WeakPolarHBondContact O-CG1 3.34Å; F55-I59 PolarHBondContact O-N 2.97Å; F55-L173 HydrophobicContact CE1-CD1 3.66Å; F55-L173 HydrophobicContact CZ-CD1 3.59Å
56	I	51.1	Low	53	Low	87 Å²	87	82.8 Å²	82.8	45%	0.446	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-42.1	174.7	-68.3	166.2	0	0	0	110.9	W52 K53 Y58 S60	W52-I56 HydrophobicContact CE3-CD1 4.45Å; W52-I56 VanDerWaalsContact O-CG1 3.3Å; W52-I56 WeakPolarHBondContact O-CG1 3.29Å; W52-I56 PolarHBondContact O-N 3.27Å; K53-I56 PolarHBondContact O-N 2.91Å; I56-Y58 VanDerWaalsContact C-N 3.35Å; I56-S60 WeakPolarHBondContact O-CB 3.41Å; I56-S60 PolarHBondContact O-N 3.39Å; I56-S60 PolarHBondContact O-OG 3.33Å
57	I	50.1	Low	52.6	Low	92 Å²	92	86.8 Å²	86.8	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-43.2	176.4	-69.4	164.5	0	0	0	110.4	K53 L54 F55 S60 L61	K53-I57 WeakPolarHBondContact O-CD1 3.35Å; K53-I57 VanDerWaalsContact O-CG1 3.23Å; K53-I57 WeakPolarHBondContact O-CG1 3.25Å; K53-I57 PolarHBondContact O-N 3.32Å; L54-I57 PolarHBondContact O-N 2.95Å; F55-I57 VanDerWaalsContact C-N 3.33Å; F55-I57 PolarHBondContact O-N 3.27Å; I57-S60 PolarHBondContact O-N 3.36Å; I57-L61 HydrophobicContact CG2-CD1 3.87Å; I57-L61 HydrophobicContact CG2-CG 4.44Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 3.47Å
58	Y	54.1	Low	51.6	Low	100 Å²	100	88.3 Å²	88.3	39%	0.392	43%	0.431	S	S	.	.	H	α-helix	trans	-62.5	-48.1	178.3	179.1	-101.9	0	0	0	112	L24 L54 F55 I56 S60 L61 D62	L24-Y58 HydrophobicContact CD2-CE1 4.28Å; L54-Y58 WeakPolarHBondContact O-CB 3.18Å; L54-Y58 PolarHBondContact O-N 3.46Å; F55-Y58 PolarHBondContact O-N 3.39Å; I56-Y58 VanDerWaalsContact C-N 3.35Å; Y58-S60 VanDerWaalsContact C-N 3.29Å; Y58-S60 PolarHBondContact O-N 2.85Å; Y58-L61 PolarHBondContact O-N 2.83Å; Y58-D62 WeakPolarHBondContact O-CB 3.33Å; Y58-D62 PolarHBondContact O-N 3.15Å
59	I	55.7	Low	50.8	Low	41 Å²	41	88.9 Å²	88.9	21%	0.21	44%	0.437	C	S	.	.	H	α-helix	trans	-60.7	-41.1	174.7	-67.3	168.6	0	0	0	110.9	F55 L61 D62 L63 L173	F55-I59 HydrophobicContact CD1-CD1 3.73Å; F55-I59 HydrophobicContact CE1-CD1 3.33Å; F55-I59 HydrophobicContact CE1-CG1 4.41Å; F55-I59 HydrophobicContact CE2-CD1 4.33Å; F55-I59 HydrophobicContact CG-CD1 4.4Å; F55-I59 HydrophobicContact CZ-CD1 3.67Å; F55-I59 HydrophobicContact CZ-CG1 4.43Å; F55-I59 WeakPolarHBondContact O-CG1 3.34Å; F55-I59 PolarHBondContact O-N 2.97Å; I59-L61 VanDerWaalsContact C-N 3.32Å; I59-L61 PolarHBondContact O-N 3.38Å; I59-D62 PolarHBondContact O-N 2.94Å; I59-L63 HydrophobicContact CG2-CD1 3.75Å; I59-L63 HydrophobicContact CG2-CG 4.18Å; I59-L63 VanDerWaalsContact O-CB 3.31Å; I59-L63 WeakPolarHBondContact O-CB 3.45Å; I59-L63 VanDerWaalsContact O-CG 3.29Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 2.83Å; I59-L173 HydrophobicContact CD1-CD1 3.58Å; I59-L173 HydrophobicContact CD1-CD2 4.29Å
60	S	46.8	Very low	50	Low	66 Å²	66	84.5 Å²	84.5	46%	0.462	43%	0.425	S	S	.	.	H	α-helix	trans	-63.9	-39.1	178.1	-57.9	0	0	0	0	111.6	I56 I57 Y58 F64	I56-S60 WeakPolarHBondContact O-CB 3.41Å; I56-S60 PolarHBondContact O-N 3.39Å; I56-S60 PolarHBondContact O-OG 3.33Å; I57-S60 PolarHBondContact O-N 3.36Å; Y58-S60 VanDerWaalsContact C-N 3.29Å; Y58-S60 PolarHBondContact O-N 2.85Å; S60-F64 WeakPolarHBondContact O-CB 3.41Å; S60-F64 PolarHBondContact O-N 3.39Å
61	L	52.6	Low	48.9	Very low	100 Å²	100	84.4 Å²	84.4	52%	0.524	43%	0.431	S	S	.	.	H	α-helix	trans	-69.2	-39.4	175.1	-78.2	166.6	0	0	0	112.2	I57 Y58 I59 F64 S65	I57-L61 HydrophobicContact CG2-CD1 3.87Å; I57-L61 HydrophobicContact CG2-CG 4.44Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 3.47Å; Y58-L61 PolarHBondContact O-N 2.83Å; I59-L61 VanDerWaalsContact C-N 3.32Å; I59-L61 PolarHBondContact O-N 3.38Å; L61-F64 PolarHBondContact O-N 2.9Å; L61-S65 WeakPolarHBondContact O-CB 3.31Å; L61-S65 PolarHBondContact O-N 3.43Å; L61-S65 PolarHBondContact O-OG 2.9Å
62	D	55.7	Low	48.1	Very low	51 Å²	51	88.7 Å²	88.7	27%	0.273	45%	0.448	S	S	.	.	H	α-helix	trans	-67.6	-47.2	178	-166.1	57.8	0	0	0	110.8	Y58 I59 F64 S65 L66	Y58-D62 WeakPolarHBondContact O-CB 3.33Å; Y58-D62 PolarHBondContact O-N 3.15Å; I59-D62 PolarHBondContact O-N 2.94Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 PolarHBondContact O-N 2.97Å; D62-S65 WeakPolarHBondContact O-CB 3.28Å; D62-S65 PolarHBondContact O-N 3.37Å; D62-S65 VanDerWaalsContact O-N 3.15Å; D62-L66 WeakPolarHBondContact O-CB 3.48Å; D62-L66 PolarHBondContact O-N 3.49Å
63	L	48.1	Very low	47.5	Very low	90 Å²	90	89.3 Å²	89.3	47%	0.471	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-37.5	172.1	-73.3	172.1	0	0	0	112.5	I59 K67	I59-L63 HydrophobicContact CG2-CD1 3.75Å; I59-L63 HydrophobicContact CG2-CG 4.18Å; I59-L63 VanDerWaalsContact O-CB 3.31Å; I59-L63 WeakPolarHBondContact O-CB 3.45Å; I59-L63 VanDerWaalsContact O-CG 3.29Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 2.83Å; L63-K67 WeakPolarHBondContact O-CB 3.5Å; L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 3.47Å
64	F	44.4	Very low	47	Very low	127 Å²	127	90.2 Å²	90.2	56%	0.557	47%	0.466	S	S	*	.	H	α-helix	trans	-68.6	-39.5	175.7	-172.4	-102.8	0	0	0	111.5	S60 L61 D62 K67 L68	S60-F64 WeakPolarHBondContact O-CB 3.41Å; S60-F64 PolarHBondContact O-N 3.39Å; L61-F64 PolarHBondContact O-N 2.9Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 PolarHBondContact O-N 2.97Å; F64-K67 PolarHBondContact O-N 3.29Å; F64-L68 HydrophobicContact CD1-CD1 3.62Å; F64-L68 HydrophobicContact CE1-CD1 3.37Å; F64-L68 HydrophobicContact CE1-CG 4.26Å; F64-L68 HydrophobicContact CZ-CD1 4.11Å; F64-L68 WeakPolarHBondContact O-CB 3.34Å; F64-L68 PolarHBondContact O-N 2.84Å
65	S	50.1	Low	46.5	Very low	62 Å²	62	88.9 Å²	88.9	43%	0.434	47%	0.466	S	S	.	.	H	α-helix	trans	-66.1	-42	175.6	-57.8	0	0	0	0	111.3	L61 D62 L68 V69	L61-S65 WeakPolarHBondContact O-CB 3.31Å; L61-S65 PolarHBondContact O-N 3.43Å; L61-S65 PolarHBondContact O-OG 2.9Å; D62-S65 WeakPolarHBondContact O-CB 3.28Å; D62-S65 PolarHBondContact O-N 3.37Å; D62-S65 VanDerWaalsContact O-N 3.15Å; S65-L68 WeakPolarHBondContact O-CB 3.2Å; S65-L68 PolarHBondContact O-N 2.97Å; S65-V69 WeakPolarHBondContact O-CG2 3.48Å; S65-V69 PolarHBondContact O-N 3.45Å
66	L	43.3	Very low	45.8	Very low	64 Å²	64	92.7 Å²	92.7	34%	0.335	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-44	173.1	-90.8	145.6	0	0	0	112.3	D62 L68 V69 N70 Y180	D62-L66 WeakPolarHBondContact O-CB 3.48Å; D62-L66 PolarHBondContact O-N 3.49Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.32Å; L66-V69 PolarHBondContact O-N 3.42Å; L66-N70 WeakPolarHBondContact O-CB 3.23Å; L66-N70 PolarHBondContact O-N 3.42Å; L66-Y180 HydrophobicContact CD2-CD1 4.41Å; L66-Y180 HydrophobicContact CD2-CE1 4.36Å
67	K	45.2	Very low	45.3	Very low	156 Å²	156	92.6 Å²	92.6	68%	0.678	50%	0.495	S	S	*	.	H	α-helix	trans	-63.6	-36.4	174.7	-80.8	-174	177.6	-175.2	0	112.5	L63 F64 S71	L63-K67 WeakPolarHBondContact O-CB 3.5Å; L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 3.47Å; F64-K67 PolarHBondContact O-N 3.29Å; K67-S71 WeakPolarHBondContact O-CB 3.47Å; K67-S71 PolarHBondContact O-N 2.87Å
68	L	36.6	Very low	45	Very low	95 Å²	95	95.1 Å²	95.1	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-48.4	174.8	-87.5	161.1	0	0	0	111.5	F64 S65 L66 N70 S71 E72	F64-L68 HydrophobicContact CD1-CD1 3.62Å; F64-L68 HydrophobicContact CE1-CD1 3.37Å; F64-L68 HydrophobicContact CE1-CG 4.26Å; F64-L68 HydrophobicContact CZ-CD1 4.11Å; F64-L68 WeakPolarHBondContact O-CB 3.34Å; F64-L68 PolarHBondContact O-N 2.84Å; S65-L68 WeakPolarHBondContact O-CB 3.2Å; S65-L68 PolarHBondContact O-N 2.97Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.32Å; L68-N70 PolarHBondContact O-N 3Å; L68-S71 PolarHBondContact O-N 3.06Å; L68-E72 PolarHBondContact O-N 3.42Å
69	V	41.5	Very low	44.2	Very low	78 Å²	78	97.8 Å²	97.8	47%	0.473	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-45.3	178.8	174.3	0	0	0	0	111.1	S65 L66 S71 E72 E73	S65-V69 WeakPolarHBondContact O-CG2 3.48Å; S65-V69 PolarHBondContact O-N 3.45Å; L66-V69 PolarHBondContact O-N 3.42Å; V69-S71 VanDerWaalsContact C-N 3.32Å; V69-S71 PolarHBondContact O-N 2.88Å; V69-E72 PolarHBondContact O-N 3Å; V69-E73 PolarHBondContact O-N 3.15Å; V69-E73 VanDerWaalsContact O-N 3.15Å
70	N	39	Very low	43.6	Very low	68 Å²	68	102.1 Å²	102.1	36%	0.364	56%	0.556	S	S	.	*	H	α-helix	trans	-69.6	-28.6	178.6	-70.6	-2.7	0	0	0	112.9	L66 L68 N74	L66-N70 WeakPolarHBondContact O-CB 3.23Å; L66-N70 PolarHBondContact O-N 3.42Å; L68-N70 PolarHBondContact O-N 3Å; N70-N74 PolarHBondContact O-N 3.4Å
71	S	32	Very low	43.2	Very low	78 Å²	78	105.9 Å²	105.9	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-72.5	-35.4	175.5	-175	0	0	0	0	112.1	K67 L68 V69 S75	K67-S71 WeakPolarHBondContact O-CB 3.47Å; K67-S71 PolarHBondContact O-N 2.87Å; L68-S71 PolarHBondContact O-N 3.06Å; V69-S71 VanDerWaalsContact C-N 3.32Å; V69-S71 PolarHBondContact O-N 2.88Å; S71-S75 PolarHBondContact O-N 2.96Å; S71-S75 PolarHBondContact O-OG 3.45Å
72	E	42.8	Very low	42.6	Very low	133 Å²	133	110.7 Å²	110.7	62%	0.621	59%	0.591	S	S	*	*	H	α-helix	trans	-73.5	-33.6	179.1	-165.2	171.8	-172.7	0	0	111.7	L68 V69 S75 N76	L68-E72 PolarHBondContact O-N 3.42Å; V69-E72 PolarHBondContact O-N 3Å; E72-S75 PolarHBondContact O-OG 3.3Å; E72-N76 PolarHBondContact O-ND2 2.94Å
73	E	43.3	Very low	41.8	Very low	121 Å²	121	114.3 Å²	114.3	57%	0.565	61%	0.61	S	S	*	*	H	α-helix	trans	-70.6	-29.6	174.1	-72	-171.9	160.2	0	0	113	K10 V69	K10-E73 IonicContact NZ-OE1 3.36Å; V69-E73 PolarHBondContact O-N 3.15Å; V69-E73 VanDerWaalsContact O-N 3.15Å
74	N	41.5	Very low	41.5	Very low	123 Å²	123	121.3 Å²	121.3	66%	0.658	63%	0.632	S	S	*	*	H	α-helix	trans	-89.6	-17.4	-177.7	-141.5	42.4	0	0	0	114.1	N70 S77	N70-N74 PolarHBondContact O-N 3.4Å; N74-S77 PolarHBondContact O-OG 3.17Å
75	S	43	Very low	41.3	Very low	80 Å²	80	121.7 Å²	121.7	56%	0.559	64%	0.64	S	S	*	*	H	α-helix	trans	-82.9	-13.7	177.8	52.9	0	0	0	0	114.3	S71 E72	S71-S75 PolarHBondContact O-N 2.96Å; S71-S75 PolarHBondContact O-OG 3.45Å; E72-S75 PolarHBondContact O-OG 3.3Å
76	N	44.1	Very low	41	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	8.7	-175	-71.1	-17.8	0	0	0	114.4	E72	E72-N76 PolarHBondContact O-ND2 2.94Å
77	S	42.3	Very low	40.8	Very low	85 Å²	85	134.2 Å²	134.2	59%	0.594	68%	0.682	S	S	*	*	S	Bend	trans	-113.6	9.9	-172.2	61.5	0	0	0	0	116.2	N74	N74-S77 PolarHBondContact O-OG 3.17Å
78	I	42.1	Very low	40.4	Very low	146 Å²	146	133.8 Å²	133.8	75%	0.749	69%	0.687	S	S	*	*	S	Bend	trans	-113.9	11	-172.7	-59.4	178.4	0	0	0	114.2
79	I	38.3	Very low	40.6	Very low	156 Å²	156	135 Å²	135	80%	0.8	70%	0.703	S	S	*	*			trans	-137.8	92.6	179.8	-47.3	176.5	0	0	0	111.1
80	T	41.8	Very low	40.5	Very low	132 Å²	132	136.3 Å²	136.3	81%	0.81	72%	0.716	S	S	*	*			trans	-145.8	105.7	153.7	45.1	0	0	0	0	110.4
81	D	39.7	Very low	40.6	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	74%	0.739	S	S	*	*			trans	54.5	87.6	133.1	-62.1	-17.7	0	0	0	120.1
82	E	40.2	Very low	40.6	Very low	201 Å²	201	145 Å²	145	94%	0.939	76%	0.755	S	S	*	*			trans	-104.8	87.4	140.5	-74.8	-169.8	171.9	0	0	108.6
83	D	39.2	Very low	40.4	Very low	126 Å²	126	143.7 Å²	143.7	67%	0.674	76%	0.761	S	S	*	*			trans	-158.7	95.8	164.1	-144.8	0.6	0	0	0	109.9
84	Y	41.6	Very low	40	Very low	238 Å²	238	142.2 Å²	142.2	93%	0.933	76%	0.764	S	S	*	*			trans	-149.9	80.7	162.7	-98.3	-72.2	0	0	0	110.4
85	D	40.5	Very low	39.7	Very low	135 Å²	135	142.9 Å²	142.9	72%	0.722	77%	0.767	S	S	*	*			trans	-67.2	142.6	160.4	-84.6	-31.2	0	0	0	111.7
86	H	42.6	Very low	39.3	Very low	163 Å²	163	146 Å²	146	76%	0.755	78%	0.778	S	S	*	*			trans	53	114.4	151.6	-91.2	-62	0	0	0	119.9
87	Y	38.7	Very low	39.1	Very low	226 Å²	226	145 Å²	145	89%	0.886	78%	0.777	S	S	*	*				-172.1	116.2	115	-116.2	-91	0	0	0	111.8
88	N	37.3	Very low	39.1	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	79%	0.785	S	S	*	*			trans	-71.7	138.4	169.5	-76.5	-32.3	0	0	0	110.8
89	S	40.2	Very low	38.7	Very low	121 Å²	121	151.1 Å²	151.1	85%	0.846	79%	0.789	S	S	*	*				179.1	121.4	124.4	52.8	0	0	0	0	112.1
90	S	39.7	Very low	38.7	Very low	104 Å²	104	149.2 Å²	149.2	73%	0.727	79%	0.79	S	S	*	*			trans	-79.4	140.5	164.7	53.3	0	0	0	0	110.8
91	L	40.6	Very low	38.4	Very low	162 Å²	162	152.3 Å²	152.3	85%	0.848	80%	0.795	S	S	*	*				-177.9	121.5	125	-130.4	76.5	0	0	0	111.2
92	D	32.8	Very low	38.4	Very low	167 Å²	167	153.7 Å²	153.7	89%	0.893	80%	0.797	S	S	*	*			trans	-74.8	132.1	160.9	-107.6	-33.8	0	0	0	110
93	S	38.2	Very low	38.2	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	79%	0.787	S	S	*	*			trans	-143.4	98.3	158.8	174.5	0	0	0	0	109.7
94	S	34.5	Very low	37.9	Very low	90 Å²	90	151.3 Å²	151.3	63%	0.629	79%	0.794	S	S	*	*			trans	25.2	112	134.8	-161.6	0	0	0	0	116.9
95	N	36.7	Very low	37.8	Very low	136 Å²	136	149.1 Å²	149.1	73%	0.727	79%	0.792	S	S	*	*				173.4	119.7	110.1	-91.7	-18.7	0	0	0	112.1
96	N	35.1	Very low	37.7	Very low	146 Å²	146	150.4 Å²	150.4	78%	0.781	79%	0.787	S	S	*	*				60.5	118.8	128.1	-98.6	-10.7	0	0	0	118.2
97	V	38	Very low	37.4	Very low	114 Å²	114	150.5 Å²	150.5	69%	0.691	79%	0.793	S	S	*	*				143.6	129.8	117.9	173	0	0	0	0	111.7
98	K	42.5	Very low	37.4	Very low	176 Å²	176	143 Å²	143	77%	0.765	77%	0.773	S	S	*	*			trans	89.6	101.1	155.9	-83.8	161.4	-170.2	-176.9	0	119.2
99	H	35.3	Very low	37.6	Very low	183 Å²	183	140.6 Å²	140.6	85%	0.847	76%	0.761	S	S	*	*				54.2	94.1	115.2	-80.3	-75.3	0	0	0	117.6
100	S	36.8	Very low	37.9	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	76%	0.758	S	S	*	*				-170.4	103.6	125.5	51.2	0	0	0	0	109	E102	S100-E102 PolarHBondContact O-N 3.23Å
101	Q	36.3	Very low	38.1	Very low	197 Å²	197	141.6 Å²	141.6	92%	0.921	76%	0.755	S	S	*	*			trans	-81.8	88.2	170.6	-178.3	178.8	5.7	0	0	108
102	E	40.4	Very low	38.2	Very low	175 Å²	175	136.9 Å²	136.9	82%	0.818	75%	0.745	S	S	*	*			trans	-142.9	90.5	160.5	-69.9	-174.3	166	0	0	105.2	S100	S100-E102 PolarHBondContact O-N 3.23Å
103	A	35.5	Very low	38.6	Very low	89 Å²	89	136.6 Å²	136.6	74%	0.736	74%	0.737	S	S	*	*				37.8	94.7	95.1	0	0	0	0	0	111.2
104	F	33.3	Very low	39.2	Very low	188 Å²	188	134.7 Å²	134.7	83%	0.825	72%	0.722	S	S	*	*			trans	150.6	53.9	152.5	-92.6	-80.7	0	0	0	111.8	R106	F104-R106 PolarHBondContact O-N 3.38Å; F104-R106 VanDerWaalsContact O-N 3.09Å
105	H	39.4	Very low	39.8	Very low	192 Å²	192	138.4 Å²	138.4	89%	0.889	73%	0.729	S	S	*	*			trans	-81.4	85.1	150.5	-81.6	-69	0	0	0	107.7	N107	H105-N107 VanDerWaalsContact C-N 3.33Å; H105-N107 PolarHBondContact O-N 3.24Å
106	R	37.2	Very low	40.1	Very low	162 Å²	162	140.8 Å²	140.8	61%	0.611	73%	0.729	S	S	*	*			trans	-42.7	87.4	170.2	-175.5	-179.2	179.3	179.6	0.3	111.2	F104 S108 D109	F104-R106 PolarHBondContact O-N 3.38Å; F104-R106 VanDerWaalsContact O-N 3.09Å; R106-S108 WeakPolarHBondContact CG-O 3.41Å; R106-S108 PolarHBondContact NE-O 2.92Å; R106-S108 PolarHBondContact O-N 2.95Å; R106-D109 IonicContact CZ-OD1 3.7Å; R106-D109 IonicContact CZ-OD2 2.88Å; R106-D109 IonicContact NE-OD1 3.99Å; R106-D109 IonicContact NH2-OD1 3.06Å; R106-D109 PolarHBondContact NH2-OD1 3.49Å; R106-D109 IonicContact NH2-OD2 3.57Å; R106-D109 PolarHBondContact NH2-OD2 2.94Å
107	N	37.1	Very low	40.6	Very low	164 Å²	164	139.9 Å²	139.9	88%	0.877	72%	0.72	S	S	*	*			trans	-84	63.9	149.9	-70.6	-20	0	0	0	106.6	H105	H105-N107 VanDerWaalsContact C-N 3.33Å; H105-N107 PolarHBondContact O-N 3.24Å
108	S	37.9	Very low	41.1	Very low	68 Å²	68	141 Å²	141	48%	0.476	72%	0.716	S	S	.	*			trans	-159.5	89.1	-175.3	-50.3	0	0	0	0	108.6	R106	R106-S108 WeakPolarHBondContact CG-O 3.41Å; R106-S108 PolarHBondContact NE-O 2.92Å; R106-S108 PolarHBondContact O-N 2.95Å
109	D	42.4	Very low	41.3	Very low	98 Å²	98	138 Å²	138	52%	0.524	71%	0.708	S	S	.	*				-132.5	101.4	127.1	-97.3	-10	0	0	0	107.3	R106 D111	R106-D109 IonicContact CZ-OD1 3.7Å; R106-D109 IonicContact CZ-OD2 2.88Å; R106-D109 IonicContact NE-OD1 3.99Å; R106-D109 IonicContact NH2-OD1 3.06Å; R106-D109 PolarHBondContact NH2-OD1 3.49Å; R106-D109 IonicContact NH2-OD2 3.57Å; R106-D109 PolarHBondContact NH2-OD2 2.94Å; D109-D111 HydrophobicContact CB-CB 4.26Å; D109-D111 PolarHBondContact O-N 2.96Å
110	P	46	Very low	41.9	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	69%	0.691	S	S	*	*			trans	-66.6	-2	151.2	-7.5	25.7	0	0	0	111.7	G112	P110-G112 PolarHBondContact O-N 2.97Å; P110-G112 VanDerWaalsContact O-N 3.12Å
111	D	44.8	Very low	42.5	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	68%	0.683	S	S	*	*			trans	-83.5	38.6	177.7	-67.4	-17.5	0	0	0	112.8	D109 F113	D109-D111 HydrophobicContact CB-CB 4.26Å; D109-D111 PolarHBondContact O-N 2.96Å; D111-F113 PolarHBondContact O-N 3.43Å
112	G	41.1	Very low	43.2	Very low	63 Å²	63	127.9 Å²	127.9	65%	0.649	66%	0.655	S	S	*	*			trans	-74.5	54.4	173.5	0	0	0	0	0	113.3	P110	P110-G112 PolarHBondContact O-N 2.97Å; P110-G112 VanDerWaalsContact O-N 3.12Å
113	F	42.7	Very low	43.6	Very low	162 Å²	162	121.4 Å²	121.4	71%	0.711	63%	0.629	S	S	*	*			trans	-147.6	132	166.6	-83.1	-89.2	0	0	0	106.4	D111	D111-F113 PolarHBondContact O-N 3.43Å
114	P	50.8	Low	44.6	Very low	66 Å²	66	120.9 Å²	120.9	43%	0.429	61%	0.613	S	S	.	*				-156.1	56.8	57	38.4	-13.4	0	0	0	114.4	Y116 E117 F118	P114-Y116 PolarHBondContact O-N 2.83Å; P114-E117 HydrophobicContact CB-CB 3.42Å; P114-E117 VanDerWaalsContact CB-CB 3.42Å; P114-E117 WeakPolarHBondContact CB-OE2 3.44Å; P114-E117 PolarHBondContact O-N 3.25Å; P114-F118 PolarHBondContact O-N 3.38Å
115	E	46.4	Very low	45.6	Very low	167 Å²	167	117.5 Å²	117.5	78%	0.78	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-30.5	175.3	-156.8	169.2	-153.8	0	0	111.1	L119	E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 2.81Å
116	Y	44	Very low	46.3	Very low	187 Å²	187	111.5 Å²	111.5	73%	0.733	57%	0.573	S	S	*	*	H	α-helix	trans	-76.7	-31.7	171.4	-71.2	-80.7	0	0	0	114.1	P114 N120	P114-Y116 PolarHBondContact O-N 2.83Å; Y116-N120 WeakPolarHBondContact O-CB 3.44Å; Y116-N120 PolarHBondContact O-N 3.41Å; Y116-N120 VanDerWaalsContact O-N 3.13Å
117	E	45.4	Very low	47	Very low	126 Å²	126	110.3 Å²	110.3	59%	0.589	57%	0.573	S	S	*	*	H	α-helix	trans	-73.5	-37.4	178.9	-132.6	173	176.6	0	0	110.7	P114 N120 E121	P114-E117 HydrophobicContact CB-CB 3.42Å; P114-E117 VanDerWaalsContact CB-CB 3.42Å; P114-E117 WeakPolarHBondContact CB-OE2 3.44Å; P114-E117 PolarHBondContact O-N 3.25Å; E117-N120 PolarHBondContact O-N 3.32Å; E117-E121 PolarHBondContact O-N 3.5Å
118	F	47.9	Very low	48.1	Very low	137 Å²	137	108.5 Å²	108.5	60%	0.601	56%	0.559	S	S	*	*	H	α-helix	trans	-68.7	-38.4	178	-151.7	-88.8	0	0	0	112.5	P114 N120 T122	P114-F118 PolarHBondContact O-N 3.38Å; F118-N120 VanDerWaalsContact C-N 3.31Å; F118-T122 WeakPolarHBondContact O-CB 3.33Å; F118-T122 PolarHBondContact O-N 2.84Å; F118-T122 PolarHBondContact O-OG1 2.97Å
119	L	46	Very low	49	Very low	114 Å²	114	110.4 Å²	110.4	60%	0.597	56%	0.56	S	S	*	*	H	α-helix	trans	-66.5	-34.6	172.6	-72.6	173.3	0	0	0	111.7	E115 S123	E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 2.81Å; L119-S123 WeakPolarHBondContact O-CB 3.32Å; L119-S123 PolarHBondContact O-N 3.39Å
120	N	48.3	Very low	49.3	Very low	94 Å²	94	107.8 Å²	107.8	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-70.1	-43.8	176.7	-164.3	35.9	0	0	0	111.4	Y116 E117 F118 S123 I124	Y116-N120 WeakPolarHBondContact O-CB 3.44Å; Y116-N120 PolarHBondContact O-N 3.41Å; Y116-N120 VanDerWaalsContact O-N 3.13Å; E117-N120 PolarHBondContact O-N 3.32Å; F118-N120 VanDerWaalsContact C-N 3.31Å; N120-S123 PolarHBondContact O-N 3.33Å; N120-I124 WeakPolarHBondContact O-CD1 3.5Å; N120-I124 WeakPolarHBondContact O-CG1 3.32Å; N120-I124 PolarHBondContact O-N 2.85Å
121	E	49.4	Very low	49.5	Very low	136 Å²	136	104 Å²	104	64%	0.636	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-46.2	177.2	-164.4	170.8	-160.4	0	0	111.4	E117 S123 I124 E125	E117-E121 PolarHBondContact O-N 3.5Å; E121-S123 VanDerWaalsContact C-N 3.32Å; E121-S123 PolarHBondContact O-N 3.43Å; E121-I124 PolarHBondContact O-N 2.94Å; E121-I124 VanDerWaalsContact O-N 3.17Å; E121-E125 PolarHBondContact O-N 3.39Å
122	T	50.7	Low	50.2	Low	52 Å²	52	104.1 Å²	104.1	32%	0.319	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-38.8	175	-45.4	0	0	0	0	111.4	F118 I124 I126	F118-T122 WeakPolarHBondContact O-CB 3.33Å; F118-T122 PolarHBondContact O-N 2.84Å; F118-T122 PolarHBondContact O-OG1 2.97Å; T122-I124 VanDerWaalsContact C-N 3.33Å; T122-I124 PolarHBondContact O-N 2.72Å; T122-I126 HydrophobicContact CG2-CD1 3.9Å; T122-I126 HydrophobicContact CG2-CG1 4.49Å; T122-I126 WeakPolarHBondContact O-CB 3.38Å; T122-I126 VanDerWaalsContact O-CG1 3.25Å; T122-I126 WeakPolarHBondContact O-CG1 3.17Å; T122-I126 PolarHBondContact O-N 2.84Å
123	S	49.9	Very low	50.6	Low	39 Å²	39	104.5 Å²	104.5	27%	0.273	51%	0.51	S	S	.	.	H	α-helix	trans	-66.2	-34.5	176.1	177.6	0	0	0	0	112.4	L119 N120 E121 K127	L119-S123 WeakPolarHBondContact O-CB 3.32Å; L119-S123 PolarHBondContact O-N 3.39Å; N120-S123 PolarHBondContact O-N 3.33Å; E121-S123 VanDerWaalsContact C-N 3.32Å; E121-S123 PolarHBondContact O-N 3.43Å; S123-K127 VanDerWaalsContact O-CB 3.29Å; S123-K127 WeakPolarHBondContact O-CB 3.3Å; S123-K127 WeakPolarHBondContact O-CD 3.44Å; S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 2.86Å; S123-K127 VanDerWaalsContact O-N 3.08Å; S123-K127 WeakPolarHBondContact OG-CE 3.43Å; S123-K127 PolarHBondContact OG-NZ 3.43Å
124	I	56.2	Low	51	Low	78 Å²	78	100.4 Å²	100.4	40%	0.4	50%	0.495	S	S	.	.	H	α-helix	trans	-70.1	-46.7	178.1	-69.8	161.9	0	0	0	109.6	N120 E121 T122 I126 K127 E128	N120-I124 WeakPolarHBondContact O-CD1 3.5Å; N120-I124 WeakPolarHBondContact O-CG1 3.32Å; N120-I124 PolarHBondContact O-N 2.85Å; E121-I124 PolarHBondContact O-N 2.94Å; E121-I124 VanDerWaalsContact O-N 3.17Å; T122-I124 VanDerWaalsContact C-N 3.33Å; T122-I124 PolarHBondContact O-N 2.72Å; I124-I126 PolarHBondContact O-N 3.19Å; I124-K127 PolarHBondContact O-N 2.73Å; I124-E128 WeakPolarHBondContact O-CG 3.29Å; I124-E128 PolarHBondContact O-N 2.92Å
125	E	54.6	Low	51.3	Low	117 Å²	117	102.5 Å²	102.5	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-47.2	178.3	-169.9	176.1	-162	0	0	111.5	E121 K127 E128 E129	E121-E125 PolarHBondContact O-N 3.39Å; E125-K127 VanDerWaalsContact C-N 3.31Å; E125-K127 PolarHBondContact O-N 3.17Å; E125-E128 PolarHBondContact O-N 3.28Å; E125-E129 PolarHBondContact O-N 2.95Å
126	I	52.6	Low	51.7	Low	66 Å²	66	100.3 Å²	100.3	34%	0.338	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-38.5	176.5	-66.6	168.8	0	0	0	111.4	T122 I124 L130 F178	T122-I126 HydrophobicContact CG2-CD1 3.9Å; T122-I126 HydrophobicContact CG2-CG1 4.49Å; T122-I126 WeakPolarHBondContact O-CB 3.38Å; T122-I126 VanDerWaalsContact O-CG1 3.25Å; T122-I126 WeakPolarHBondContact O-CG1 3.17Å; T122-I126 PolarHBondContact O-N 2.84Å; I124-I126 PolarHBondContact O-N 3.19Å; I126-L130 WeakPolarHBondContact O-CB 3.44Å; I126-L130 PolarHBondContact O-N 3.3Å; I126-F178 HydrophobicContact CG2-CZ 4.15Å
127	K	52.3	Low	52	Low	138 Å²	138	93.3 Å²	93.3	60%	0.6	46%	0.464	S	S	*	.	H	α-helix	trans	-68.3	-37.6	177.3	-79.8	170.8	-178.1	165	0	112.2	S123 I124 E125 G131	S123-K127 VanDerWaalsContact O-CB 3.29Å; S123-K127 WeakPolarHBondContact O-CB 3.3Å; S123-K127 WeakPolarHBondContact O-CD 3.44Å; S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 2.86Å; S123-K127 VanDerWaalsContact O-N 3.08Å; S123-K127 WeakPolarHBondContact OG-CE 3.43Å; S123-K127 PolarHBondContact OG-NZ 3.43Å; I124-K127 PolarHBondContact O-N 2.73Å; E125-K127 VanDerWaalsContact C-N 3.31Å; E125-K127 PolarHBondContact O-N 3.17Å; K127-G131 PolarHBondContact O-N 3.24Å
128	E	60.8	Low	52.5	Low	125 Å²	125	92.7 Å²	92.7	58%	0.584	46%	0.461	S	S	*	.	H	α-helix	trans	-68.1	-46.3	175.9	-75.9	-173.9	178.4	0	0	111.4	I124 E125 G131 Q132	I124-E128 WeakPolarHBondContact O-CG 3.29Å; I124-E128 PolarHBondContact O-N 2.92Å; E125-E128 PolarHBondContact O-N 3.28Å; E128-G131 PolarHBondContact O-N 3.37Å; E128-Q132 WeakPolarHBondContact O-CG 3.48Å; E128-Q132 PolarHBondContact O-N 2.86Å
129	E	56.1	Low	53.1	Low	108 Å²	108	90.9 Å²	90.9	51%	0.505	46%	0.457	S	S	.	.	H	α-helix	trans	-61.1	-46	175.1	-72.2	-167.8	162.6	0	0	111.4	E125 G131 Q132 E133	E125-E129 PolarHBondContact O-N 2.95Å; E129-G131 VanDerWaalsContact C-N 3.32Å; E129-G131 PolarHBondContact O-N 3.09Å; E129-Q132 PolarHBondContact O-N 3.45Å; E129-E133 WeakPolarHBondContact O-CG 3.37Å; E129-E133 PolarHBondContact O-N 2.98Å
130	L	50	Low	53.6	Low	44 Å²	44	90.5 Å²	90.5	23%	0.23	45%	0.454	C	S	.	.	H	α-helix	trans	-61.2	-40.3	175.1	-179	55.3	0	0	0	112.1	I126 Q132 E133 L134 F178	I126-L130 WeakPolarHBondContact O-CB 3.44Å; I126-L130 PolarHBondContact O-N 3.3Å; L130-Q132 VanDerWaalsContact C-N 3.33Å; L130-Q132 PolarHBondContact O-N 2.85Å; L130-E133 PolarHBondContact O-N 3.41Å; L130-L134 HydrophobicContact CD1-CD1 4.09Å; L130-L134 HydrophobicContact CD1-CG 4.03Å; L130-L134 HydrophobicContact CG-CD1 3.97Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 VanDerWaalsContact O-CB 3.29Å; L130-L134 WeakPolarHBondContact O-CB 3.36Å; L130-L134 VanDerWaalsContact O-CG 3.32Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 2.87Å; L130-F178 HydrophobicContact CB-CE1 4.14Å; L130-F178 HydrophobicContact CB-CE2 4.25Å; L130-F178 HydrophobicContact CB-CZ 3.63Å; L130-F178 HydrophobicContact CD1-CD1 3.68Å; L130-F178 HydrophobicContact CD1-CD2 4.08Å; L130-F178 HydrophobicContact CD1-CE1 3.4Å; L130-F178 HydrophobicContact CD1-CE2 3.8Å; L130-F178 HydrophobicContact CD1-CG 4.05Å; L130-F178 HydrophobicContact CD1-CZ 3.48Å; L130-F178 VanDerWaalsContact CD1-CZ 3.48Å; L130-F178 HydrophobicContact CD2-CD1 4.3Å; L130-F178 HydrophobicContact CD2-CE1 3.47Å; L130-F178 VanDerWaalsContact CD2-CE1 3.47Å; L130-F178 HydrophobicContact CD2-CZ 3.87Å; L130-F178 HydrophobicContact CG-CE1 3.81Å; L130-F178 HydrophobicContact CG-CE2 4.49Å; L130-F178 HydrophobicContact CG-CZ 3.81Å
131	G	50.2	Low	53.9	Low	40 Å²	40	89.1 Å²	89.1	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-42	176.1	0	0	0	0	0	112	K127 E128 E129 H135	K127-G131 PolarHBondContact O-N 3.24Å; E128-G131 PolarHBondContact O-N 3.37Å; E129-G131 VanDerWaalsContact C-N 3.32Å; E129-G131 PolarHBondContact O-N 3.09Å; G131-H135 WeakPolarHBondContact O-CB 3.37Å; G131-H135 PolarHBondContact O-N 2.95Å
132	Q	58.1	Low	54.5	Low	127 Å²	127	87.2 Å²	87.2	59%	0.593	44%	0.441	S	S	*	.	H	α-helix	trans	-67.6	-43	175.4	-69.6	180	14.2	0	0	112.2	E128 E129 L130 H135 Q136	E128-Q132 WeakPolarHBondContact O-CG 3.48Å; E128-Q132 PolarHBondContact O-N 2.86Å; E129-Q132 PolarHBondContact O-N 3.45Å; L130-Q132 VanDerWaalsContact C-N 3.33Å; L130-Q132 PolarHBondContact O-N 2.85Å; Q132-H135 PolarHBondContact O-N 3.07Å; Q132-Q136 WeakPolarHBondContact O-CG 3.41Å; Q132-Q136 PolarHBondContact O-N 2.73Å
133	E	51	Low	55.1	Low	71 Å²	71	87.4 Å²	87.4	33%	0.332	44%	0.438	S	S	.	.	H	α-helix	trans	-64.8	-42.8	177.4	-72.5	-167.5	171.1	0	0	111.6	R22 E129 L130 H135 Q136 L137	R22-E133 IonicContact NH2-OE1 2.86Å; E129-E133 WeakPolarHBondContact O-CG 3.37Å; E129-E133 PolarHBondContact O-N 2.98Å; L130-E133 PolarHBondContact O-N 3.41Å; E133-H135 VanDerWaalsContact C-N 3.34Å; E133-H135 PolarHBondContact O-N 3.12Å; E133-Q136 PolarHBondContact O-N 3.33Å; E133-L137 VanDerWaalsContact O-CB 3.29Å; E133-L137 WeakPolarHBondContact O-CB 3.18Å; E133-L137 PolarHBondContact O-N 2.97Å
134	L	50	Low	55.4	Low	77 Å²	77	86.9 Å²	86.9	40%	0.403	43%	0.432	S	S	.	.	H	α-helix	trans	-62.5	-40	173.8	-78.5	171.3	0	0	0	111.9	L130 L137 Q138 L175	L130-L134 HydrophobicContact CD1-CD1 4.09Å; L130-L134 HydrophobicContact CD1-CG 4.03Å; L130-L134 HydrophobicContact CG-CD1 3.97Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 VanDerWaalsContact O-CB 3.29Å; L130-L134 WeakPolarHBondContact O-CB 3.36Å; L130-L134 VanDerWaalsContact O-CG 3.32Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 2.87Å; L134-L137 PolarHBondContact O-N 3.31Å; L134-Q138 WeakPolarHBondContact O-CB 3.44Å; L134-Q138 PolarHBondContact O-N 3.38Å; L134-L175 HydrophobicContact CD2-CD2 4.1Å
135	H	57.9	Low	55.4	Low	110 Å²	110	85 Å²	85	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-65.6	-42.8	175.9	-177.1	-92.3	0	0	0	111.8	G131 Q132 E133 Q138 L139	G131-H135 WeakPolarHBondContact O-CB 3.37Å; G131-H135 PolarHBondContact O-N 2.95Å; Q132-H135 PolarHBondContact O-N 3.07Å; E133-H135 VanDerWaalsContact C-N 3.34Å; E133-H135 PolarHBondContact O-N 3.12Å; H135-Q138 PolarHBondContact O-N 3.07Å; H135-L139 WeakPolarHBondContact O-CG 3.38Å; H135-L139 PolarHBondContact O-N 3.22Å
136	Q	54	Low	56	Low	121 Å²	121	86.9 Å²	86.9	57%	0.565	43%	0.428	S	S	*	.	H	α-helix	trans	-63.5	-42	174.2	-73.9	-175.5	6.1	0	0	111.8	Q132 E133 Q138 L139 I140	Q132-Q136 WeakPolarHBondContact O-CG 3.41Å; Q132-Q136 PolarHBondContact O-N 2.73Å; E133-Q136 PolarHBondContact O-N 3.33Å; Q136-Q138 VanDerWaalsContact C-N 3.31Å; Q136-Q138 PolarHBondContact O-N 3.48Å; Q136-L139 PolarHBondContact O-N 2.98Å; Q136-I140 VanDerWaalsContact O-CG1 3.29Å; Q136-I140 WeakPolarHBondContact O-CG1 3.47Å; Q136-I140 PolarHBondContact O-N 3.04Å
137	L	51.3	Low	56.5	Low	40 Å²	40	90.4 Å²	90.4	21%	0.209	44%	0.437	C	S	.	.	H	α-helix	trans	-61.3	-41.8	175.7	-172	64.2	0	0	0	111.5	E133 L134 I140 L141 I171	E133-L137 VanDerWaalsContact O-CB 3.29Å; E133-L137 WeakPolarHBondContact O-CB 3.18Å; E133-L137 PolarHBondContact O-N 2.97Å; L134-L137 PolarHBondContact O-N 3.31Å; L137-I140 PolarHBondContact O-N 3.47Å; L137-L141 HydrophobicContact CG-CD1 4.37Å; L137-L141 WeakPolarHBondContact O-CB 3.29Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 3.19Å; L137-I171 HydrophobicContact CD1-CG1 3.79Å; L137-I171 HydrophobicContact CD2-CG1 4.34Å; L137-I171 HydrophobicContact CD2-CG2 3.93Å; L137-I171 HydrophobicContact CG-CG1 4.34Å
138	Q	54.9	Low	56.7	Low	113 Å²	113	84.8 Å²	84.8	53%	0.528	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-42.8	176	-172.4	173.2	-5.2	0	0	111.6	L134 H135 Q136 I140 L141 D142	L134-Q138 WeakPolarHBondContact O-CB 3.44Å; L134-Q138 PolarHBondContact O-N 3.38Å; H135-Q138 PolarHBondContact O-N 3.07Å; Q136-Q138 VanDerWaalsContact C-N 3.31Å; Q136-Q138 PolarHBondContact O-N 3.48Å; Q138-I140 VanDerWaalsContact C-N 3.35Å; Q138-I140 PolarHBondContact O-N 2.95Å; Q138-L141 WeakPolarHBondContact O-CB 3.38Å; Q138-L141 PolarHBondContact O-N 3.39Å; Q138-D142 WeakPolarHBondContact O-CB 3.4Å; Q138-D142 PolarHBondContact O-N 2.98Å
139	L	60.3	Low	56.7	Low	99 Å²	99	88.6 Å²	88.6	52%	0.518	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-42.4	174.1	-72.1	173.8	0	0	0	112.2	H135 Q136 D142 E143	H135-L139 WeakPolarHBondContact O-CG 3.38Å; H135-L139 PolarHBondContact O-N 3.22Å; Q136-L139 PolarHBondContact O-N 2.98Å; L139-D142 PolarHBondContact O-N 3.46Å; L139-E143 WeakPolarHBondContact O-CB 3.3Å; L139-E143 PolarHBondContact O-N 3.35Å
140	I	58	Low	57.2	Low	105 Å²	105	87.2 Å²	87.2	54%	0.538	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-43.4	176.2	-68	165.4	0	0	0	110.1	Q136 L137 Q138 E143 L144	Q136-I140 VanDerWaalsContact O-CG1 3.29Å; Q136-I140 WeakPolarHBondContact O-CG1 3.47Å; Q136-I140 PolarHBondContact O-N 3.04Å; L137-I140 PolarHBondContact O-N 3.47Å; Q138-I140 VanDerWaalsContact C-N 3.35Å; Q138-I140 PolarHBondContact O-N 2.95Å; I140-E143 PolarHBondContact O-N 3.3Å; I140-L144 WeakPolarHBondContact O-CB 3.19Å; I140-L144 PolarHBondContact O-N 3.03Å
141	L	53.7	Low	57.4	Low	66 Å²	66	87.8 Å²	87.8	35%	0.346	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-41.6	176.6	-87.9	171.4	0	0	0	112.8	L137 Q138 L144 S145 I171	L137-L141 HydrophobicContact CG-CD1 4.37Å; L137-L141 WeakPolarHBondContact O-CB 3.29Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 3.19Å; Q138-L141 WeakPolarHBondContact O-CB 3.38Å; Q138-L141 PolarHBondContact O-N 3.39Å; L141-L144 HydrophobicContact CD2-CD2 4.5Å; L141-L144 WeakPolarHBondContact O-CB 3.44Å; L141-L144 PolarHBondContact O-N 2.83Å; L141-S145 VanDerWaalsContact O-CB 3.23Å; L141-S145 WeakPolarHBondContact O-CB 3.27Å; L141-S145 PolarHBondContact O-N 3.45Å; L141-I171 HydrophobicContact CD1-CD1 3.8Å; L141-I171 HydrophobicContact CD2-CD1 3.27Å; L141-I171 HydrophobicContact CG-CD1 3.65Å
142	D	62.6	Low	57.8	Low	95 Å²	95	89.9 Å²	89.9	51%	0.508	44%	0.442	S	S	.	.	H	α-helix	trans	-66.6	-42.5	176.9	-80.4	-19.5	0	0	0	111	Q138 L139 S145 R146	Q138-D142 WeakPolarHBondContact O-CB 3.4Å; Q138-D142 PolarHBondContact O-N 2.98Å; L139-D142 PolarHBondContact O-N 3.46Å; D142-S145 PolarHBondContact O-N 3.3Å; D142-R146 WeakPolarHBondContact O-CB 3.45Å; D142-R146 PolarHBondContact O-N 3.46Å
143	E	63.4	Low	57.6	Low	56 Å²	56	91 Å²	91	26%	0.262	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-41.4	174.7	178.4	57.8	-163.9	0	0	111.7	L139 I140 R146 R147	L139-E143 WeakPolarHBondContact O-CB 3.3Å; L139-E143 PolarHBondContact O-N 3.35Å; I140-E143 PolarHBondContact O-N 3.3Å; E143-R146 WeakPolarHBondContact O-CB 3.46Å; E143-R146 PolarHBondContact O-N 2.96Å; E143-R146 IonicContact OE1-CZ 2.77Å; E143-R146 IonicContact OE1-NE 2.88Å; E143-R146 IonicContact OE1-NH2 3.22Å; E143-R146 PolarHBondContact OE1-NH2 2.94Å; E143-R146 IonicContact OE2-CZ 2.75Å; E143-R146 IonicContact OE2-NE 3.66Å; E143-R146 PolarHBondContact OE2-NE 2.91Å; E143-R146 IonicContact OE2-NH2 2.82Å; E143-R146 PolarHBondContact OE2-NH2 3.36Å; E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 2.86Å; E143-R147 IonicContact OE1-CZ 2.78Å; E143-R147 IonicContact OE1-NE 3.82Å; E143-R147 PolarHBondContact OE1-NE 3.37Å; E143-R147 IonicContact OE1-NH2 3.71Å; E143-R147 PolarHBondContact OE1-NH2 2.85Å
144	L	55.3	Low	57.7	Low	28 Å²	28	92.7 Å²	92.7	15%	0.147	47%	0.471	C	S	.	.	H	α-helix	trans	-60.3	-48.7	174.5	-166.9	82	0	0	0	111.1	I140 L141 R146 R147 I148 F163 S167	I140-L144 WeakPolarHBondContact O-CB 3.19Å; I140-L144 PolarHBondContact O-N 3.03Å; L141-L144 HydrophobicContact CD2-CD2 4.5Å; L141-L144 WeakPolarHBondContact O-CB 3.44Å; L141-L144 PolarHBondContact O-N 2.83Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.35Å; L144-R147 PolarHBondContact O-N 3.2Å; L144-I148 HydrophobicContact CD2-CD1 4.31Å; L144-I148 HydrophobicContact CG-CD1 4.05Å; L144-I148 WeakPolarHBondContact O-CD1 3.35Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 2.77Å; L144-F163 HydrophobicContact CD1-CD1 4.27Å; L144-F163 HydrophobicContact CD1-CE1 3.12Å; L144-F163 HydrophobicContact CD1-CE2 4.33Å; L144-F163 HydrophobicContact CD1-CZ 3.17Å; L144-F163 HydrophobicContact CD2-CE1 4.17Å; L144-F163 HydrophobicContact CG-CD1 4.42Å; L144-F163 HydrophobicContact CG-CE1 3.56Å; L144-F163 HydrophobicContact CG-CZ 4.14Å; L144-S167 VanDerWaalsContact CD2-CB 3.44Å; L144-S167 WeakPolarHBondContact CD2-OG 3.37Å
145	S	56.7	Low	57.8	Low	40 Å²	40	90.5 Å²	90.5	28%	0.28	46%	0.464	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.6	-179.7	0	0	0	0	111.1	L141 D142 R147 I148 R149	L141-S145 VanDerWaalsContact O-CB 3.23Å; L141-S145 WeakPolarHBondContact O-CB 3.27Å; L141-S145 PolarHBondContact O-N 3.45Å; D142-S145 PolarHBondContact O-N 3.3Å; S145-R147 PolarHBondContact O-N 2.9Å; S145-I148 PolarHBondContact O-N 2.88Å; S145-R149 WeakPolarHBondContact O-CB 3.37Å; S145-R149 WeakPolarHBondContact O-CG 3.27Å; S145-R149 PolarHBondContact O-N 2.99Å
146	R	67.2	Low	57.6	Low	156 Å²	156	89.5 Å²	89.5	59%	0.589	46%	0.463	S	S	*	.	H	α-helix	trans	-60	-45.4	174.7	-169.9	179.8	74	104.9	1.9	111.4	D142 E143 L144 R149 A150	D142-R146 WeakPolarHBondContact O-CB 3.45Å; D142-R146 PolarHBondContact O-N 3.46Å; E143-R146 WeakPolarHBondContact O-CB 3.46Å; E143-R146 PolarHBondContact O-N 2.96Å; E143-R146 IonicContact OE1-CZ 2.77Å; E143-R146 IonicContact OE1-NE 2.88Å; E143-R146 IonicContact OE1-NH2 3.22Å; E143-R146 PolarHBondContact OE1-NH2 2.94Å; E143-R146 IonicContact OE2-CZ 2.75Å; E143-R146 IonicContact OE2-NE 3.66Å; E143-R146 PolarHBondContact OE2-NE 2.91Å; E143-R146 IonicContact OE2-NH2 2.82Å; E143-R146 PolarHBondContact OE2-NH2 3.36Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.35Å; R146-R149 PolarHBondContact O-N 3.46Å; R146-A150 WeakPolarHBondContact O-CB 3.34Å; R146-A150 PolarHBondContact O-N 3.01Å
147	R	62	Low	57.6	Low	140 Å²	140	92.4 Å²	92.4	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-65.8	-40.7	176.8	-71.9	178.6	-177	-140.8	3.5	112.7	E143 L144 S145 R149 A150 T151	E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 2.86Å; E143-R147 IonicContact OE1-CZ 2.78Å; E143-R147 IonicContact OE1-NE 3.82Å; E143-R147 PolarHBondContact OE1-NE 3.37Å; E143-R147 IonicContact OE1-NH2 3.71Å; E143-R147 PolarHBondContact OE1-NH2 2.85Å; L144-R147 PolarHBondContact O-N 3.2Å; S145-R147 PolarHBondContact O-N 2.9Å; R147-R149 VanDerWaalsContact C-N 3.33Å; R147-R149 PolarHBondContact O-N 2.86Å; R147-A150 PolarHBondContact O-N 3.36Å; R147-T151 PolarHBondContact O-N 2.78Å; R147-T151 PolarHBondContact O-OG1 3.47Å
148	I	57.3	Low	57.7	Low	20 Å²	20	98.3 Å²	98.3	10%	0.103	49%	0.494	C	S	.	.	H	α-helix	trans	-62	-41.6	174.8	-68.4	157.8	0	0	0	111	L144 S145 T151 K160 F163 L164	L144-I148 HydrophobicContact CD2-CD1 4.31Å; L144-I148 HydrophobicContact CG-CD1 4.05Å; L144-I148 WeakPolarHBondContact O-CD1 3.35Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 2.77Å; S145-I148 PolarHBondContact O-N 2.88Å; I148-T151 WeakPolarHBondContact O-CB 3.23Å; I148-T151 PolarHBondContact O-N 3.16Å; I148-K160 HydrophobicContact CG2-CD 4.2Å; I148-K160 HydrophobicContact CG2-CG 4.32Å; I148-K160 PolarHBondContact O-NZ 3.43Å; I148-F163 HydrophobicContact CD1-CD1 3.76Å; I148-F163 HydrophobicContact CD1-CE1 4.01Å; I148-F163 HydrophobicContact CG1-CD1 3.66Å; I148-F163 HydrophobicContact CG1-CE1 3.84Å; I148-L164 HydrophobicContact CD1-CD2 3.55Å; I148-L164 HydrophobicContact CD1-CG 3.87Å
149	R	60.5	Low	57.7	Low	205 Å²	205	97.1 Å²	97.1	77%	0.774	49%	0.49	S	S	*	.	H	α-helix	trans	-69.3	-36.8	176.7	-71.1	178.7	-164.8	-170.4	3.9	112.6	S145 R146 R147 T151	S145-R149 WeakPolarHBondContact O-CB 3.37Å; S145-R149 WeakPolarHBondContact O-CG 3.27Å; S145-R149 PolarHBondContact O-N 2.99Å; R146-R149 PolarHBondContact O-N 3.46Å; R147-R149 VanDerWaalsContact C-N 3.33Å; R147-R149 PolarHBondContact O-N 2.86Å; R149-T151 VanDerWaalsContact C-N 3.25Å; R149-T151 PolarHBondContact O-N 3.25Å
150	A	66.2	Low	57.5	Low	79 Å²	79	94.4 Å²	94.4	65%	0.653	47%	0.474	S	S	*	.	H	α-helix	trans	-70.9	-21.1	175.3	0	0	0	0	0	112.9	R146 R147 P152	R146-A150 WeakPolarHBondContact O-CB 3.34Å; R146-A150 PolarHBondContact O-N 3.01Å; R147-A150 PolarHBondContact O-N 3.36Å; A150-P152 WeakPolarHBondContact O-CD 3.38Å
151	T	55.7	Low	57.3	Low	55 Å²	55	94 Å²	94	34%	0.337	47%	0.472	S	S	.	.	S	Bend	trans	-68.3	118.2	177.4	-55	0	0	0	0	109.4	R147 I148 R149 A155 K160	R147-T151 PolarHBondContact O-N 2.78Å; R147-T151 PolarHBondContact O-OG1 3.47Å; I148-T151 WeakPolarHBondContact O-CB 3.23Å; I148-T151 PolarHBondContact O-N 3.16Å; R149-T151 VanDerWaalsContact C-N 3.25Å; R149-T151 PolarHBondContact O-N 3.25Å; T151-A155 HydrophobicContact CG2-CB 3.7Å; T151-K160 WeakPolarHBondContact O-CE 3.45Å; T151-K160 PolarHBondContact O-NZ 3.4Å
152	P	57.3	Low	57.5	Low	85 Å²	85	96.7 Å²	96.7	55%	0.552	48%	0.483	S	S	*	.			trans	-57.8	143.6	-177.4	21.3	-31	0	0	0	111.3	A150 S154 A155	A150-P152 WeakPolarHBondContact O-CD 3.38Å; P152-S154 PolarHBondContact O-N 2.92Å; P152-A155 PolarHBondContact O-N 3.41Å
153	N	55.4	Low	57.3	Low	149 Å²	149	94.9 Å²	94.9	80%	0.797	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-7.9	-177.9	-77.6	-17.4	0	0	0	114.4	A155 K160	N153-A155 VanDerWaalsContact C-N 3.26Å; N153-K160 PolarHBondContact OD1-NZ 2.98Å
154	S	52.8	Low	57	Low	108 Å²	108	96.3 Å²	96.3	76%	0.755	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19	170.3	53.3	0	0	0	0	113.3	P152 N156	P152-S154 PolarHBondContact O-N 2.92Å; S154-N156 PolarHBondContact O-N 3.31Å
155	A	52.2	Low	57	Low	31 Å²	31	100.2 Å²	100.2	26%	0.256	50%	0.499	S	S	.	.	S	Bend	trans	-81.2	96.2	168.6	0	0	0	0	0	109.1	T151 P152 N153	T151-A155 HydrophobicContact CG2-CB 3.7Å; P152-A155 PolarHBondContact O-N 3.41Å; N153-A155 VanDerWaalsContact C-N 3.26Å
156	N	54	Low	56.9	Low	89 Å²	89	99.3 Å²	99.3	48%	0.476	49%	0.492	S	S	.	.			trans	-6.8	119.3	172.4	-154.3	5.2	0	0	0	115.2	S154 Y158 M159	S154-N156 PolarHBondContact O-N 3.31Å; N156-Y158 CarbonylContact O-C 3.58Å; N156-Y158 PolarHBondContact O-N 3.47Å; N156-Y158 VanDerWaalsContact OD1-CD2 3.29Å; N156-Y158 WeakPolarHBondContact OD1-CD2 3.45Å; N156-M159 HydrophobicContact CB-CG 4.25Å; N156-M159 PolarHBondContact O-N 3.38Å
157	K	53.8	Low	56.4	Low	181 Å²	181	92.8 Å²	92.8	79%	0.787	47%	0.471	S	S	*	.	H	α-helix	trans	-42.8	-32.9	175	-176.4	-178.9	178.6	-177.1	0	113	N161	K157-N161 PolarHBondContact O-N 2.87Å
158	Y	52.9	Low	56.1	Low	165 Å²	165	89.5 Å²	89.5	65%	0.647	47%	0.468	S	S	*	.	H	α-helix	trans	-62	-42.4	174.8	-67.2	-78.2	0	0	0	113.8	N156 N161 E162	N156-Y158 CarbonylContact O-C 3.58Å; N156-Y158 PolarHBondContact O-N 3.47Å; N156-Y158 VanDerWaalsContact OD1-CD2 3.29Å; N156-Y158 WeakPolarHBondContact OD1-CD2 3.45Å; Y158-N161 PolarHBondContact O-N 2.84Å; Y158-E162 WeakPolarHBondContact O-CG 3.29Å; Y158-E162 PolarHBondContact O-N 3.16Å
159	M	55.4	Low	56	Low	88 Å²	88	91.6 Å²	91.6	43%	0.433	48%	0.479	S	S	.	.	H	α-helix	trans	-69.2	-39	180	-65.4	-178.5	92.5	0	0	112.2	N156 N161 E162 F163	N156-M159 HydrophobicContact CB-CG 4.25Å; N156-M159 PolarHBondContact O-N 3.38Å; M159-N161 VanDerWaalsContact C-N 3.28Å; M159-N161 PolarHBondContact O-N 2.77Å; M159-E162 PolarHBondContact O-N 3.18Å; M159-F163 WeakPolarHBondContact O-CB 3.4Å; M159-F163 PolarHBondContact O-N 2.91Å
160	K	54.7	Low	55.9	Low	41 Å²	41	83.5 Å²	83.5	18%	0.178	45%	0.453	C	S	.	.	H	α-helix	trans	-61.3	-40.1	172.9	-70	-171.7	179	-172.5	0	111.1	I148 T151 N153 L164	I148-K160 HydrophobicContact CG2-CD 4.2Å; I148-K160 HydrophobicContact CG2-CG 4.32Å; I148-K160 PolarHBondContact O-NZ 3.43Å; T151-K160 WeakPolarHBondContact O-CE 3.45Å; T151-K160 PolarHBondContact O-NZ 3.4Å; N153-K160 PolarHBondContact OD1-NZ 2.98Å; K160-L164 WeakPolarHBondContact O-CB 3.33Å; K160-L164 WeakPolarHBondContact O-CG 3.35Å; K160-L164 PolarHBondContact O-N 3.25Å; K160-L164 VanDerWaalsContact O-N 3.07Å
161	N	55	Low	55.5	Low	96 Å²	96	81.1 Å²	81.1	51%	0.513	43%	0.429	S	S	.	.	H	α-helix	trans	-68.8	-44.4	178.1	-164.6	52.1	0	0	0	112	K157 Y158 M159 F163 L164 M165	K157-N161 PolarHBondContact O-N 2.87Å; Y158-N161 PolarHBondContact O-N 2.84Å; M159-N161 VanDerWaalsContact C-N 3.28Å; M159-N161 PolarHBondContact O-N 2.77Å; N161-F163 VanDerWaalsContact C-N 3.34Å; N161-F163 PolarHBondContact O-N 3.41Å; N161-L164 PolarHBondContact O-N 2.87Å; N161-M165 WeakPolarHBondContact O-CB 3.23Å; N161-M165 WeakPolarHBondContact O-CG 3.32Å; N161-M165 PolarHBondContact O-N 3.5Å
162	E	57.3	Low	55.5	Low	123 Å²	123	82.2 Å²	82.2	58%	0.575	44%	0.436	S	S	*	.	H	α-helix	trans	-61.5	-42.1	177.3	-77.2	-179.5	-171.7	0	0	112.2	Y158 M159 M165 S166	Y158-E162 WeakPolarHBondContact O-CG 3.29Å; Y158-E162 PolarHBondContact O-N 3.16Å; M159-E162 PolarHBondContact O-N 3.18Å; E162-M165 PolarHBondContact O-N 3.3Å; E162-S166 WeakPolarHBondContact O-CB 3.36Å; E162-S166 PolarHBondContact O-N 2.99Å; E162-S166 PolarHBondContact O-OG 3.3Å
163	F	58.3	Low	55.4	Low	58 Å²	58	80.4 Å²	80.4	25%	0.254	42%	0.421	S	S	.	.	H	α-helix	trans	-69.5	-36.9	179	-172	-107.5	0	0	0	113.2	I32 L144 I148 M159 N161 S166 S167	I32-F163 HydrophobicContact CG2-CE2 3.88Å; I32-F163 HydrophobicContact CG2-CZ 4.47Å; L144-F163 HydrophobicContact CD1-CD1 4.27Å; L144-F163 HydrophobicContact CD1-CE1 3.12Å; L144-F163 HydrophobicContact CD1-CE2 4.33Å; L144-F163 HydrophobicContact CD1-CZ 3.17Å; L144-F163 HydrophobicContact CD2-CE1 4.17Å; L144-F163 HydrophobicContact CG-CD1 4.42Å; L144-F163 HydrophobicContact CG-CE1 3.56Å; L144-F163 HydrophobicContact CG-CZ 4.14Å; I148-F163 HydrophobicContact CD1-CD1 3.76Å; I148-F163 HydrophobicContact CD1-CE1 4.01Å; I148-F163 HydrophobicContact CG1-CD1 3.66Å; I148-F163 HydrophobicContact CG1-CE1 3.84Å; M159-F163 WeakPolarHBondContact O-CB 3.4Å; M159-F163 PolarHBondContact O-N 2.91Å; N161-F163 VanDerWaalsContact C-N 3.34Å; N161-F163 PolarHBondContact O-N 3.41Å; F163-S166 WeakPolarHBondContact CA-OG 3.35Å; F163-S166 PolarHBondContact O-OG 3.49Å; F163-S167 WeakPolarHBondContact O-CB 3.39Å; F163-S167 PolarHBondContact O-N 3.39Å; F163-S167 VanDerWaalsContact O-N 3.09Å; F163-S167 PolarHBondContact O-OG 2.94Å
164	L	56.8	Low	55.4	Low	86 Å²	86	76.6 Å²	76.6	45%	0.45	40%	0.4	S	S	.	.	H	α-helix	trans	-66.4	-43.7	172.2	-80.9	168	0	0	0	111.5	I148 K160 N161 S167 C168	I148-L164 HydrophobicContact CD1-CD2 3.55Å; I148-L164 HydrophobicContact CD1-CG 3.87Å; K160-L164 WeakPolarHBondContact O-CB 3.33Å; K160-L164 WeakPolarHBondContact O-CG 3.35Å; K160-L164 PolarHBondContact O-N 3.25Å; K160-L164 VanDerWaalsContact O-N 3.07Å; N161-L164 PolarHBondContact O-N 2.87Å; L164-S167 PolarHBondContact O-N 2.86Å; L164-C168 VanDerWaalsContact O-CB 3.29Å; L164-C168 WeakPolarHBondContact O-CB 3.35Å; L164-C168 PolarHBondContact O-N 2.96Å
165	M	55.9	Low	55.4	Low	109 Å²	109	74.8 Å²	74.8	54%	0.537	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-42.4	178.6	-70.9	-66.6	-78.5	0	0	111.5	N161 E162 S167 C168 I169	N161-M165 WeakPolarHBondContact O-CB 3.23Å; N161-M165 WeakPolarHBondContact O-CG 3.32Å; N161-M165 PolarHBondContact O-N 3.5Å; E162-M165 PolarHBondContact O-N 3.3Å; M165-S167 PolarHBondContact O-N 2.81Å; M165-C168 PolarHBondContact O-N 2.76Å; M165-I169 WeakPolarHBondContact O-CD1 3.27Å; M165-I169 VanDerWaalsContact O-CG1 3.24Å; M165-I169 WeakPolarHBondContact O-CG1 3.44Å; M165-I169 PolarHBondContact O-N 2.94Å
166	S	54.8	Low	55.5	Low	21 Å²	21	79 Å²	79	15%	0.147	39%	0.394	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.8	67	0	0	0	0	111.4	E162 F163 I169 V170	E162-S166 WeakPolarHBondContact O-CB 3.36Å; E162-S166 PolarHBondContact O-N 2.99Å; E162-S166 PolarHBondContact O-OG 3.3Å; F163-S166 WeakPolarHBondContact CA-OG 3.35Å; F163-S166 PolarHBondContact O-OG 3.49Å; S166-I169 PolarHBondContact O-N 2.83Å; S166-V170 WeakPolarHBondContact O-CG2 3.43Å; S166-V170 PolarHBondContact O-N 3.34Å
167	S	56.8	Low	55.5	Low	20 Å²	20	77.3 Å²	77.3	14%	0.14	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-42.6	177.9	-56.7	0	0	0	0	111.6	L144 F163 L164 M165 I169 V170 I171	L144-S167 VanDerWaalsContact CD2-CB 3.44Å; L144-S167 WeakPolarHBondContact CD2-OG 3.37Å; F163-S167 WeakPolarHBondContact O-CB 3.39Å; F163-S167 PolarHBondContact O-N 3.39Å; F163-S167 VanDerWaalsContact O-N 3.09Å; F163-S167 PolarHBondContact O-OG 2.94Å; L164-S167 PolarHBondContact O-N 2.86Å; M165-S167 PolarHBondContact O-N 2.81Å; S167-I169 VanDerWaalsContact C-N 3.33Å; S167-I169 PolarHBondContact O-N 2.87Å; S167-V170 PolarHBondContact O-N 3.44Å; S167-I171 WeakPolarHBondContact O-CB 3.47Å; S167-I171 VanDerWaalsContact O-CD1 3.31Å; S167-I171 WeakPolarHBondContact O-CD1 3.24Å; S167-I171 VanDerWaalsContact O-CG1 3.28Å; S167-I171 WeakPolarHBondContact O-CG1 3.45Å; S167-I171 PolarHBondContact O-N 3.19Å
168	C	55.2	Low	55.3	Low	70 Å²	70	70.3 Å²	70.3	47%	0.473	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-41.6	175.8	-170.9	0	0	0	0	112	L164 M165 I171 T172	L164-C168 VanDerWaalsContact O-CB 3.29Å; L164-C168 WeakPolarHBondContact O-CB 3.35Å; L164-C168 PolarHBondContact O-N 2.96Å; M165-C168 PolarHBondContact O-N 2.76Å; C168-I171 PolarHBondContact O-N 2.73Å; C168-T172 WeakPolarHBondContact O-CB 3.38Å; C168-T172 PolarHBondContact O-N 3.35Å; C168-T172 PolarHBondContact O-OG1 3.42Å
169	I	56	Low	55.3	Low	64 Å²	64	69.1 Å²	69.1	33%	0.328	36%	0.357	S	S	.	.	H	α-helix	trans	-65.7	-44.7	177.7	-69.9	164.4	0	0	0	110.8	W52 M165 S166 S167 I171 T172 L173	W52-I169 HydrophobicContact CH2-CD1 3.7Å; W52-I169 HydrophobicContact CH2-CG2 4.43Å; M165-I169 WeakPolarHBondContact O-CD1 3.27Å; M165-I169 VanDerWaalsContact O-CG1 3.24Å; M165-I169 WeakPolarHBondContact O-CG1 3.44Å; M165-I169 PolarHBondContact O-N 2.94Å; S166-I169 PolarHBondContact O-N 2.83Å; S167-I169 VanDerWaalsContact C-N 3.33Å; S167-I169 PolarHBondContact O-N 2.87Å; I169-I171 VanDerWaalsContact C-N 3.33Å; I169-I171 PolarHBondContact O-N 3.29Å; I169-T172 PolarHBondContact O-N 2.66Å; I169-L173 HydrophobicContact CG2-CD1 3.71Å; I169-L173 HydrophobicContact CG2-CG 4.33Å; I169-L173 WeakPolarHBondContact O-CB 3.28Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.5Å; I169-L173 PolarHBondContact O-N 3.48Å
170	V	57.4	Low	55.1	Low	36 Å²	36	71.6 Å²	71.6	22%	0.218	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-43.8	177.1	171.9	0	0	0	0	111	F28 S166 S167 L173 N174	F28-V170 HydrophobicContact CE1-CG2 4.06Å; S166-V170 WeakPolarHBondContact O-CG2 3.43Å; S166-V170 PolarHBondContact O-N 3.34Å; S167-V170 PolarHBondContact O-N 3.44Å; V170-L173 PolarHBondContact O-N 3.37Å; V170-N174 WeakPolarHBondContact CG1-ND2 3.29Å; V170-N174 PolarHBondContact O-N 3.46Å; V170-N174 PolarHBondContact O-ND2 2.85Å
171	I	58.2	Low	54.6	Low	28 Å²	28	74.2 Å²	74.2	14%	0.144	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-48.4	176.8	-71.9	158.4	0	0	0	110.8	L137 L141 S167 C168 I169 L173 N174 L175	L137-I171 HydrophobicContact CD1-CG1 3.79Å; L137-I171 HydrophobicContact CD2-CG1 4.34Å; L137-I171 HydrophobicContact CD2-CG2 3.93Å; L137-I171 HydrophobicContact CG-CG1 4.34Å; L141-I171 HydrophobicContact CD1-CD1 3.8Å; L141-I171 HydrophobicContact CD2-CD1 3.27Å; L141-I171 HydrophobicContact CG-CD1 3.65Å; S167-I171 WeakPolarHBondContact O-CB 3.47Å; S167-I171 VanDerWaalsContact O-CD1 3.31Å; S167-I171 WeakPolarHBondContact O-CD1 3.24Å; S167-I171 VanDerWaalsContact O-CG1 3.28Å; S167-I171 WeakPolarHBondContact O-CG1 3.45Å; S167-I171 PolarHBondContact O-N 3.19Å; C168-I171 PolarHBondContact O-N 2.73Å; I169-I171 VanDerWaalsContact C-N 3.33Å; I169-I171 PolarHBondContact O-N 3.29Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 2.92Å; I171-N174 PolarHBondContact O-N 3.45Å; I171-L175 HydrophobicContact CG2-CD1 3.82Å; I171-L175 HydrophobicContact CG2-CG 4.38Å; I171-L175 WeakPolarHBondContact O-CB 3.24Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.21Å; I171-L175 PolarHBondContact O-N 2.86Å
172	T	55	Low	54	Low	79 Å²	79	75.5 Å²	75.5	49%	0.485	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-39.6	-179.4	-54.7	0	0	0	0	111.3	C168 I169 L175 F176	C168-T172 WeakPolarHBondContact O-CB 3.38Å; C168-T172 PolarHBondContact O-N 3.35Å; C168-T172 PolarHBondContact O-OG1 3.42Å; I169-T172 PolarHBondContact O-N 2.66Å; T172-L175 PolarHBondContact O-N 3.1Å; T172-F176 WeakPolarHBondContact O-CB 3.38Å; T172-F176 PolarHBondContact O-N 3.43Å
173	L	56.6	Low	53.8	Low	46 Å²	46	73.2 Å²	73.2	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-69.6	-42.3	177.5	-74.1	168.4	0	0	0	112.4	F55 I59 I169 V170 I171 L175 F176 I177	F55-L173 HydrophobicContact CE1-CD1 3.66Å; F55-L173 HydrophobicContact CZ-CD1 3.59Å; I59-L173 HydrophobicContact CD1-CD1 3.58Å; I59-L173 HydrophobicContact CD1-CD2 4.29Å; I169-L173 HydrophobicContact CG2-CD1 3.71Å; I169-L173 HydrophobicContact CG2-CG 4.33Å; I169-L173 WeakPolarHBondContact O-CB 3.28Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.5Å; I169-L173 PolarHBondContact O-N 3.48Å; V170-L173 PolarHBondContact O-N 3.37Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 2.92Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.97Å; L173-F176 PolarHBondContact O-N 2.79Å; L173-I177 VanDerWaalsContact O-CG1 3.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 3.18Å
174	N	53.8	Low	53.5	Low	69 Å²	69	73.9 Å²	73.9	37%	0.369	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-42.9	174	-80.9	-68.4	0	0	0	111.1	V170 I171 F176 I177 F178	V170-N174 WeakPolarHBondContact CG1-ND2 3.29Å; V170-N174 PolarHBondContact O-N 3.46Å; V170-N174 PolarHBondContact O-ND2 2.85Å; I171-N174 PolarHBondContact O-N 3.45Å; N174-F176 VanDerWaalsContact C-N 3.32Å; N174-F176 PolarHBondContact O-N 2.96Å; N174-I177 PolarHBondContact O-N 2.81Å; N174-F178 VanDerWaalsContact O-CB 3.27Å; N174-F178 WeakPolarHBondContact O-CB 3.43Å; N174-F178 PolarHBondContact O-N 3.5Å
175	L	53.9	Low	53.4	Low	70 Å²	70	73.3 Å²	73.3	37%	0.366	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-38.7	174.1	-70.6	172.4	0	0	0	111.8	L134 I171 T172 L173 F178 M179	L134-L175 HydrophobicContact CD2-CD2 4.1Å; I171-L175 HydrophobicContact CG2-CD1 3.82Å; I171-L175 HydrophobicContact CG2-CG 4.38Å; I171-L175 WeakPolarHBondContact O-CB 3.24Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.21Å; I171-L175 PolarHBondContact O-N 2.86Å; T172-L175 PolarHBondContact O-N 3.1Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.97Å; L175-F178 PolarHBondContact O-N 2.81Å; L175-M179 WeakPolarHBondContact O-CB 3.43Å; L175-M179 WeakPolarHBondContact O-CG 3.4Å; L175-M179 PolarHBondContact O-N 3.02Å
176	F	53.5	Low	53.2	Low	119 Å²	119	71.2 Å²	71.2	52%	0.522	38%	0.375	S	S	.	.	H	α-helix	trans	-68.2	-44.7	178.4	-168.7	-94.2	0	0	0	112.2	T172 L173 N174 F178 M179 Y180	T172-F176 WeakPolarHBondContact O-CB 3.38Å; T172-F176 PolarHBondContact O-N 3.43Å; L173-F176 PolarHBondContact O-N 2.79Å; N174-F176 VanDerWaalsContact C-N 3.32Å; N174-F176 PolarHBondContact O-N 2.96Å; F176-F178 VanDerWaalsContact C-N 3.29Å; F176-F178 PolarHBondContact O-N 2.85Å; F176-M179 PolarHBondContact O-N 3.05Å; F176-Y180 HydrophobicContact CE1-CD2 4.48Å; F176-Y180 HydrophobicContact CZ-CD2 4.45Å; F176-Y180 WeakPolarHBondContact O-CB 3.2Å; F176-Y180 PolarHBondContact O-N 3.48Å
177	I	55.2	Low	53.1	Low	54 Å²	54	74.3 Å²	74.3	28%	0.277	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-40.4	175.7	-67	166.1	0	0	0	110.2	L173 N174 Y180 K181	L173-I177 VanDerWaalsContact O-CG1 3.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 3.18Å; N174-I177 PolarHBondContact O-N 2.81Å; I177-Y180 PolarHBondContact O-N 2.84Å; I177-K181 HydrophobicContact CG2-CD 4.24Å; I177-K181 PolarHBondContact O-N 2.96Å
178	F	50	Low	52.9	Low	35 Å²	35	77.9 Å²	77.9	15%	0.154	41%	0.406	C	S	.	.	H	α-helix	trans	-62.1	-48.2	175.5	-173.3	-82.5	0	0	0	111.5	I126 L130 N174 L175 F176 Y180 K181 S182	I126-F178 HydrophobicContact CG2-CZ 4.15Å; L130-F178 HydrophobicContact CB-CE1 4.14Å; L130-F178 HydrophobicContact CB-CE2 4.25Å; L130-F178 HydrophobicContact CB-CZ 3.63Å; L130-F178 HydrophobicContact CD1-CD1 3.68Å; L130-F178 HydrophobicContact CD1-CD2 4.08Å; L130-F178 HydrophobicContact CD1-CE1 3.4Å; L130-F178 HydrophobicContact CD1-CE2 3.8Å; L130-F178 HydrophobicContact CD1-CG 4.05Å; L130-F178 HydrophobicContact CD1-CZ 3.48Å; L130-F178 VanDerWaalsContact CD1-CZ 3.48Å; L130-F178 HydrophobicContact CD2-CD1 4.3Å; L130-F178 HydrophobicContact CD2-CE1 3.47Å; L130-F178 VanDerWaalsContact CD2-CE1 3.47Å; L130-F178 HydrophobicContact CD2-CZ 3.87Å; L130-F178 HydrophobicContact CG-CE1 3.81Å; L130-F178 HydrophobicContact CG-CE2 4.49Å; L130-F178 HydrophobicContact CG-CZ 3.81Å; N174-F178 VanDerWaalsContact O-CB 3.27Å; N174-F178 WeakPolarHBondContact O-CB 3.43Å; N174-F178 PolarHBondContact O-N 3.5Å; L175-F178 PolarHBondContact O-N 2.81Å; F176-F178 VanDerWaalsContact C-N 3.29Å; F176-F178 PolarHBondContact O-N 2.85Å; F178-Y180 VanDerWaalsContact C-N 3.29Å; F178-Y180 PolarHBondContact O-N 2.98Å; F178-K181 PolarHBondContact O-N 3.49Å; F178-S182 PolarHBondContact O-N 3.28Å
179	M	51.9	Low	52.7	Low	139 Å²	139	78.5 Å²	78.5	69%	0.685	40%	0.401	S	S	*	.	H	α-helix	trans	-65.6	-27.3	179.4	-73.9	-68.2	-59.8	0	0	113.8	L175 F176	L175-M179 WeakPolarHBondContact O-CB 3.43Å; L175-M179 WeakPolarHBondContact O-CG 3.4Å; L175-M179 PolarHBondContact O-N 3.02Å; F176-M179 PolarHBondContact O-N 3.05Å
180	Y	51.7	Low	52.5	Low	141 Å²	141	79.6 Å²	79.6	55%	0.553	41%	0.407	S	S	*	.	H	α-helix	trans	-88	-13.8	-179.8	-148.5	-95.6	0	0	0	113.3	L66 F176 I177 F178	L66-Y180 HydrophobicContact CD2-CD1 4.41Å; L66-Y180 HydrophobicContact CD2-CE1 4.36Å; F176-Y180 HydrophobicContact CE1-CD2 4.48Å; F176-Y180 HydrophobicContact CZ-CD2 4.45Å; F176-Y180 WeakPolarHBondContact O-CB 3.2Å; F176-Y180 PolarHBondContact O-N 3.48Å; I177-Y180 PolarHBondContact O-N 2.84Å; F178-Y180 VanDerWaalsContact C-N 3.29Å; F178-Y180 PolarHBondContact O-N 2.98Å
181	K	44.5	Very low	52.1	Low	96 Å²	96	83.3 Å²	83.3	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-95.3	-14.1	174.6	-78.4	178	-178.2	164.5	0	113.3	Y18 E21 I177 F178	Y18-K181 HydrophobicContact CE2-CD 4.2Å; E21-K181 IonicContact OE1-NZ 3.63Å; E21-K181 PolarHBondContact OE1-NZ 2.84Å; E21-K181 IonicContact OE2-NZ 3.69Å; E21-K181 PolarHBondContact OE2-NZ 2.88Å; I177-K181 HydrophobicContact CG2-CD 4.24Å; I177-K181 PolarHBondContact O-N 2.96Å; F178-K181 PolarHBondContact O-N 3.49Å
182	S	40.5	Very low	51.5	Low	123 Å²	123	88.3 Å²	88.3	86%	0.86	45%	0.448	S	S	*	.			trans	-87.6	0	171.5	-176.7	0	0	0	0	112.3	F178	F178-S182 PolarHBondContact O-N 3.28Å

Retrieved 182 of 182 residues in 204.2 ms (Link to these results)

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