A0A5K4F902_SCHMA Loading...

Nose resistant to fluoxetine protein 6

AlphaFold DB , UniProt , Accession A0A5K4F902, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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	37.6	Very low	40.2	Very low	125 Å²	125	91.4 Å²	91.4	62%	0.616	45%	0.446	S	S	*	.				0	-29	0	-92.9	163.3	42.4	0	0	115.4	H3 L4 L5 Y169	M1-H3 PolarHBondContact O-N 3.03Å; M1-L4 WeakPolarHBondContact O-CB 3.22Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L5 PolarHBondContact O-N 3.25Å; M1-Y169 HydrophobicContact CE-CD2 3.67Å; M1-Y169 HydrophobicContact CE-CE2 3.4Å
2	K	30	Very low	40.9	Very low	122 Å²	122	85.5 Å²	85.5	53%	0.53	42%	0.418	S	S	.	.	H	α-helix	trans	-49.6	-42.4	169.6	-136.6	172.3	-172.2	-176.9	0	111.5	L4 L6 H172	K2-L4 PolarHBondContact O-N 2.88Å; K2-L6 WeakPolarHBondContact O-CB 3.18Å; K2-L6 PolarHBondContact O-N 2.84Å; K2-H172 WeakPolarHBondContact CA-CE1 3.45Å; K2-H172 PolarHBondContact N-CE1 3.28Å; K2-H172 VanDerWaalsContact N-CE1 3.3Å; K2-H172 PolarHBondContact N-NE2 3.16Å
3	H	33.5	Very low	41.4	Very low	165 Å²	165	86.3 Å²	86.3	76%	0.764	42%	0.424	S	S	*	.	H	α-helix	trans	-64.9	-32.9	173.5	-61.6	-68.8	0	0	0	114.1	M1 F7	M1-H3 PolarHBondContact O-N 3.03Å; H3-F7 WeakPolarHBondContact O-CA 3.35Å; H3-F7 WeakPolarHBondContact O-CB 3.49Å; H3-F7 PolarHBondContact O-N 2.81Å
4	L	39.7	Very low	41.6	Very low	104 Å²	104	88.2 Å²	88.2	55%	0.545	44%	0.436	S	S	.	.	H	α-helix	trans	-73.4	-39.9	-175.7	-163.1	77.3	0	0	0	111.9	M1 K2 F7 Q8	M1-L4 WeakPolarHBondContact O-CB 3.22Å; M1-L4 PolarHBondContact O-N 3.47Å; K2-L4 PolarHBondContact O-N 2.88Å; L4-F7 WeakPolarHBondContact O-CB 3.38Å; L4-F7 PolarHBondContact O-N 3.28Å; L4-Q8 WeakPolarHBondContact O-CG 3.49Å; L4-Q8 PolarHBondContact O-N 3.24Å
5	L	42.4	Very low	41.5	Very low	20 Å²	20	85.9 Å²	85.9	11%	0.105	43%	0.426	C	S	.	.	H	α-helix	trans	-77.3	-43.1	-178.6	-131.5	151.6	0	0	0	111.3	M1 F7 Q8 I9 L42 L46 L179	M1-L5 PolarHBondContact O-N 3.25Å; L5-F7 VanDerWaalsContact C-N 3.25Å; L5-F7 PolarHBondContact O-N 2.76Å; L5-Q8 PolarHBondContact O-N 2.63Å; L5-I9 HydrophobicContact CD2-CD1 4.04Å; L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 3.21Å; L5-L42 HydrophobicContact CD2-CD2 4.16Å; L5-L46 HydrophobicContact CD1-CD2 4.21Å; L5-L179 HydrophobicContact CD2-CD1 3.63Å
6	L	37.7	Very low	41.6	Very low	92 Å²	92	82.1 Å²	82.1	48%	0.482	41%	0.409	S	S	.	.	H	α-helix	trans	-58.6	-39.7	166.9	-104.7	127.4	0	0	0	111.3	K2 I9 N10	K2-L6 WeakPolarHBondContact O-CB 3.18Å; K2-L6 PolarHBondContact O-N 2.84Å; L6-I9 PolarHBondContact O-N 3.28Å; L6-N10 WeakPolarHBondContact O-CB 3.24Å; L6-N10 PolarHBondContact O-N 3.41Å; L6-N10 PolarHBondContact O-ND2 3.26Å
7	F	40.1	Very low	41.5	Very low	129 Å²	129	85.2 Å²	85.2	57%	0.566	43%	0.426	S	S	*	.	H	α-helix	trans	-63	-45.4	174.7	177.3	-98.2	0	0	0	111.3	H3 L4 L5 I9 N10 V11	H3-F7 WeakPolarHBondContact O-CA 3.35Å; H3-F7 WeakPolarHBondContact O-CB 3.49Å; H3-F7 PolarHBondContact O-N 2.81Å; L4-F7 WeakPolarHBondContact O-CB 3.38Å; L4-F7 PolarHBondContact O-N 3.28Å; L5-F7 VanDerWaalsContact C-N 3.25Å; L5-F7 PolarHBondContact O-N 2.76Å; F7-I9 PolarHBondContact O-N 2.82Å; F7-N10 PolarHBondContact O-N 3.16Å; F7-V11 HydrophobicContact CD1-CG2 3.96Å; F7-V11 HydrophobicContact CD2-CG2 4.12Å; F7-V11 HydrophobicContact CE1-CG2 3.67Å; F7-V11 HydrophobicContact CE2-CG2 3.84Å; F7-V11 HydrophobicContact CG-CG2 4.18Å; F7-V11 HydrophobicContact CZ-CG2 3.6Å; F7-V11 VanDerWaalsContact O-CB 3.24Å; F7-V11 WeakPolarHBondContact O-CB 3.49Å; F7-V11 WeakPolarHBondContact O-CG2 3.15Å; F7-V11 PolarHBondContact O-N 2.74Å
8	Q	44.3	Very low	41.3	Very low	83 Å²	83	82.7 Å²	82.7	39%	0.388	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-42.8	176.8	-78.1	179.4	-21.2	0	0	112.4	L4 L5 V11 L12	L4-Q8 WeakPolarHBondContact O-CG 3.49Å; L4-Q8 PolarHBondContact O-N 3.24Å; L5-Q8 PolarHBondContact O-N 2.63Å; Q8-V11 PolarHBondContact O-N 3.14Å; Q8-L12 WeakPolarHBondContact O-CB 3.23Å; Q8-L12 VanDerWaalsContact O-CG 3.24Å; Q8-L12 WeakPolarHBondContact O-CG 3.39Å; Q8-L12 PolarHBondContact O-N 3.11Å
9	I	47.1	Very low	41.4	Very low	36 Å²	36	82 Å²	82	19%	0.185	43%	0.425	C	S	.	.	H	α-helix	trans	-64.9	-46.7	176	-66.9	157.4	0	0	0	110.6	L5 L6 F7 V11 L12 L13 L179	L5-I9 HydrophobicContact CD2-CD1 4.04Å; L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 3.21Å; L6-I9 PolarHBondContact O-N 3.28Å; F7-I9 PolarHBondContact O-N 2.82Å; I9-V11 VanDerWaalsContact C-N 3.33Å; I9-V11 PolarHBondContact O-N 3.48Å; I9-L12 PolarHBondContact O-N 3.19Å; I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 HydrophobicContact CG2-CG 4.43Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 WeakPolarHBondContact O-CG 3.14Å; I9-L13 PolarHBondContact O-N 3.08Å; I9-L179 HydrophobicContact CD1-CD1 4.03Å; I9-L179 HydrophobicContact CD1-CD2 3.39Å; I9-L179 HydrophobicContact CD1-CG 4.3Å; I9-L179 HydrophobicContact CG1-CD2 4.36Å
10	N	44.1	Very low	41.5	Very low	79 Å²	79	81.7 Å²	81.7	42%	0.422	43%	0.426	S	S	.	.	H	α-helix	trans	-63.3	-40.7	178.1	-73.9	-14.9	0	0	0	111.3	L6 F7 L13 L14	L6-N10 WeakPolarHBondContact O-CB 3.24Å; L6-N10 PolarHBondContact O-N 3.41Å; L6-N10 PolarHBondContact O-ND2 3.26Å; F7-N10 PolarHBondContact O-N 3.16Å; N10-L13 PolarHBondContact O-N 2.89Å; N10-L14 VanDerWaalsContact O-CB 3.23Å; N10-L14 WeakPolarHBondContact O-CB 3.24Å; N10-L14 WeakPolarHBondContact O-CD1 3.38Å; N10-L14 WeakPolarHBondContact O-CG 3.38Å; N10-L14 PolarHBondContact O-N 3.13Å
11	V	46.3	Very low	41.4	Very low	50 Å²	50	84.2 Å²	84.2	30%	0.303	44%	0.436	S	S	.	.	H	α-helix	trans	-62.6	-45.2	174.2	167.5	0	0	0	0	110	F7 Q8 I9 L13 L14 L15	F7-V11 HydrophobicContact CD1-CG2 3.96Å; F7-V11 HydrophobicContact CD2-CG2 4.12Å; F7-V11 HydrophobicContact CE1-CG2 3.67Å; F7-V11 HydrophobicContact CE2-CG2 3.84Å; F7-V11 HydrophobicContact CG-CG2 4.18Å; F7-V11 HydrophobicContact CZ-CG2 3.6Å; F7-V11 VanDerWaalsContact O-CB 3.24Å; F7-V11 WeakPolarHBondContact O-CB 3.49Å; F7-V11 WeakPolarHBondContact O-CG2 3.15Å; F7-V11 PolarHBondContact O-N 2.74Å; Q8-V11 PolarHBondContact O-N 3.14Å; I9-V11 VanDerWaalsContact C-N 3.33Å; I9-V11 PolarHBondContact O-N 3.48Å; V11-L13 PolarHBondContact O-N 3.32Å; V11-L14 PolarHBondContact O-N 3.25Å; V11-L15 HydrophobicContact CG1-CD1 3.9Å; V11-L15 HydrophobicContact CG1-CG 4.29Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 3.31Å
12	L	48	Very low	41.8	Very low	21 Å²	21	81.3 Å²	81.3	11%	0.11	43%	0.425	C	S	.	.	H	α-helix	trans	-62.5	-42.9	176.9	-75	169.3	0	0	0	112	Q8 I9 L15 V16 V35 R38 L39	Q8-L12 WeakPolarHBondContact O-CB 3.23Å; Q8-L12 VanDerWaalsContact O-CG 3.24Å; Q8-L12 WeakPolarHBondContact O-CG 3.39Å; Q8-L12 PolarHBondContact O-N 3.11Å; I9-L12 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3.48Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 2.79Å; L12-V16 VanDerWaalsContact O-N 3.13Å; L12-V35 HydrophobicContact CB-CG1 4.13Å; L12-R38 HydrophobicContact CD2-CB 4.11Å; L12-L39 HydrophobicContact CD1-CD2 3.79Å; L12-L39 HydrophobicContact CD1-CG 4.23Å
13	L	47.8	Very low	42.9	Very low	96 Å²	96	83.2 Å²	83.2	50%	0.503	44%	0.441	S	S	.	.	H	α-helix	trans	-64.5	-43.4	174.9	-73.3	169.4	0	0	0	111.8	I9 N10 V11 L15 V16 L17	I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 HydrophobicContact CG2-CG 4.43Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 WeakPolarHBondContact O-CG 3.14Å; I9-L13 PolarHBondContact O-N 3.08Å; N10-L13 PolarHBondContact O-N 2.89Å; V11-L13 PolarHBondContact O-N 3.32Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 3.17Å; L13-V16 WeakPolarHBondContact O-CB 3.38Å; L13-V16 PolarHBondContact O-N 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 2.95Å; L13-L17 VanDerWaalsContact O-N 3.11Å
14	L	43.4	Very low	44.2	Very low	113 Å²	113	78.1 Å²	78.1	59%	0.592	43%	0.433	S	S	*	.	H	α-helix	trans	-61.9	-35.9	174.7	-76.1	168	0	0	0	111.3	N10 V11 L17 A18	N10-L14 VanDerWaalsContact O-CB 3.23Å; N10-L14 WeakPolarHBondContact O-CB 3.24Å; N10-L14 WeakPolarHBondContact O-CD1 3.38Å; N10-L14 WeakPolarHBondContact O-CG 3.38Å; N10-L14 PolarHBondContact O-N 3.13Å; V11-L14 PolarHBondContact O-N 3.25Å; L14-L17 CarbonylContact O-C 3.56Å; L14-L17 PolarHBondContact O-N 3.49Å; L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.48Å; L14-A18 PolarHBondContact O-N 2.93Å
15	L	40.1	Very low	44.6	Very low	53 Å²	53	77.3 Å²	77.3	28%	0.277	43%	0.433	S	S	.	.	H	α-helix	trans	-69.9	-28.9	176.4	-74.9	173.3	0	0	0	113.1	V11 L12 L13 Y30	V11-L15 HydrophobicContact CG1-CD1 3.9Å; V11-L15 HydrophobicContact CG1-CG 4.29Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 3.48Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 3.17Å; L15-Y30 HydrophobicContact CB-CD2 3.75Å; L15-Y30 HydrophobicContact CB-CE2 4.33Å; L15-Y30 HydrophobicContact CB-CG 4.44Å; L15-Y30 HydrophobicContact CD1-CD2 4.17Å; L15-Y30 HydrophobicContact CD1-CE2 3.94Å; L15-Y30 HydrophobicContact CD2-CD2 4Å; L15-Y30 HydrophobicContact CD2-CE2 3.85Å; L15-Y30 HydrophobicContact CG-CD2 4.19Å; L15-Y30 HydrophobicContact CG-CE2 4.26Å
16	V	43.7	Very low	44.9	Very low	25 Å²	25	83.8 Å²	83.8	15%	0.152	46%	0.46	C	S	.	.	H	α-helix	trans	-68.5	-41.7	168.8	179.6	0	0	0	0	110.9	L12 L13 V35	L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 2.79Å; L12-V16 VanDerWaalsContact O-N 3.13Å; L13-V16 WeakPolarHBondContact O-CB 3.38Å; L13-V16 PolarHBondContact O-N 3.28Å; V16-V35 HydrophobicContact CG2-CB 3.86Å; V16-V35 HydrophobicContact CG2-CG1 3.92Å; V16-V35 HydrophobicContact CG2-CG2 3.46Å; V16-V35 VanDerWaalsContact CG2-CG2 3.46Å
17	L	39.7	Very low	45.5	Very low	135 Å²	135	84.3 Å²	84.3	71%	0.707	46%	0.46	S	S	*	.	H	α-helix	trans	-76.5	-26	-178.9	-66.2	174.2	0	0	0	112.8	L13 L14 S19	L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 2.95Å; L13-L17 VanDerWaalsContact O-N 3.11Å; L14-L17 CarbonylContact O-C 3.56Å; L14-L17 PolarHBondContact O-N 3.49Å; L17-S19 PolarHBondContact O-N 2.9Å; L17-S19 VanDerWaalsContact O-N 3.16Å
18	A	37.3	Very low	46.2	Very low	41 Å²	41	84 Å²	84	34%	0.339	46%	0.46	S	S	.	.			trans	-64.7	115.6	177.6	0	0	0	0	0	108.9	L14 A29	L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.48Å; L14-A18 PolarHBondContact O-N 2.93Å; A18-A29 HydrophobicContact CB-CB 4.05Å; A18-A29 WeakPolarHBondContact O-CB 3.42Å; A18-A29 PolarHBondContact O-N 2.83Å
19	S	44.1	Very low	46.5	Very low	69 Å²	69	81.8 Å²	81.8	48%	0.483	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.7	169.1	47.4	0	0	0	0	108.8	L17 Q27	L17-S19 PolarHBondContact O-N 2.9Å; L17-S19 VanDerWaalsContact O-N 3.16Å; S19-Q27 CarbonylContact C-O 3.44Å; S19-Q27 VanDerWaalsContact CA-O 3.22Å; S19-Q27 WeakPolarHBondContact CA-O 3.42Å
20	V	43	Very low	46.6	Very low	76 Å²	76	83.8 Å²	83.8	46%	0.461	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140	174.9	-149.8	0	0	0	0	107.4	V22 Q27 A29	V20-V22 PolarHBondContact O-N 2.84Å; V20-Q27 PolarHBondContact N-O 3.46Å; V20-Q27 PolarHBondContact O-N 3.48Å; V20-A29 HydrophobicContact CG2-CB 3.49Å; V20-A29 VanDerWaalsContact CG2-CB 3.49Å
21	Q	40.5	Very low	47.5	Very low	135 Å²	135	82.3 Å²	82.3	63%	0.631	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	109.7	178.3	-151	171.3	0.6	0	0	108.5	G24 T25	Q21-G24 PolarHBondContact NE2-O 2.93Å; Q21-T25 WeakPolarHBondContact CA-O 2.89Å
22	V	44.9	Very low	48.1	Very low	64 Å²	64	85.2 Å²	85.2	39%	0.388	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.6	178.2	-175.4	0	0	0	0	107.4	V20 G24 T25	V20-V22 PolarHBondContact O-N 2.84Å; V22-G24 VanDerWaalsContact C-N 3.31Å; V22-G24 PolarHBondContact O-N 3.22Å; V22-T25 PolarHBondContact N-O 3.39Å; V22-T25 PolarHBondContact O-N 2.87Å
23	N	53.9	Low	48.9	Very low	162 Å²	162	90.2 Å²	90.2	87%	0.866	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	47.9	-177.5	-62.5	-18.8	0	0	0	113.3	T25	N23-T25 PolarHBondContact O-N 3.46Å; N23-T25 VanDerWaalsContact O-N 3.16Å
24	G	59.8	Low	49.5	Very low	58 Å²	58	89.6 Å²	89.6	60%	0.598	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-15.4	179.3	0	0	0	0	0	115.1	Q21 V22	Q21-G24 PolarHBondContact NE2-O 2.93Å; V22-G24 VanDerWaalsContact C-N 3.31Å; V22-G24 PolarHBondContact O-N 3.22Å
25	T	47.9	Very low	49.8	Very low	86 Å²	86	84.6 Å²	84.6	53%	0.528	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.2	-179.6	-44.5	0	0	0	0	110.4	Q21 V22 N23 Q27	Q21-T25 WeakPolarHBondContact CA-O 2.89Å; V22-T25 PolarHBondContact N-O 3.39Å; V22-T25 PolarHBondContact O-N 2.87Å; N23-T25 PolarHBondContact O-N 3.46Å; N23-T25 VanDerWaalsContact O-N 3.16Å; T25-Q27 PolarHBondContact O-N 3.45Å
26	K	48.5	Very low	50.6	Low	157 Å²	157	86.7 Å²	86.7	68%	0.683	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	117.5	169.7	-77.6	-173.9	179.4	-178.3	0	109.1
27	Q	50.9	Low	51.3	Low	102 Å²	102	87.6 Å²	87.6	48%	0.477	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147	172.5	-65.8	-177.7	-9	0	0	108.7	S19 V20 T25	S19-Q27 CarbonylContact C-O 3.44Å; S19-Q27 VanDerWaalsContact CA-O 3.22Å; S19-Q27 WeakPolarHBondContact CA-O 3.42Å; V20-Q27 PolarHBondContact N-O 3.46Å; V20-Q27 PolarHBondContact O-N 3.48Å; T25-Q27 PolarHBondContact O-N 3.45Å
28	Q	54.9	Low	51.9	Low	123 Å²	123	87.4 Å²	87.4	58%	0.575	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.5	171.1	-74.5	176.8	-22.6	0	0	109.3	Y30	Q28-Y30 PolarHBondContact O-N 3.21Å
29	A	51.7	Low	52.6	Low	37 Å²	37	88.5 Å²	88.5	31%	0.306	48%	0.48	S	S	.	.	S	Bend	trans	-61.3	-30.3	-179.3	0	0	0	0	0	112	A18 V20	A18-A29 HydrophobicContact CB-CB 4.05Å; A18-A29 WeakPolarHBondContact O-CB 3.42Å; A18-A29 PolarHBondContact O-N 2.83Å; V20-A29 HydrophobicContact CG2-CB 3.49Å; V20-A29 VanDerWaalsContact CG2-CB 3.49Å
30	Y	48.5	Very low	53.4	Low	77 Å²	77	89.1 Å²	89.1	30%	0.302	48%	0.475	S	S	.	.	S	Bend	trans	-138.2	141.1	176.7	-78.6	-90.8	0	0	0	110.3	L15 Q28 D34	L15-Y30 HydrophobicContact CB-CD2 3.75Å; L15-Y30 HydrophobicContact CB-CE2 4.33Å; L15-Y30 HydrophobicContact CB-CG 4.44Å; L15-Y30 HydrophobicContact CD1-CD2 4.17Å; L15-Y30 HydrophobicContact CD1-CE2 3.94Å; L15-Y30 HydrophobicContact CD2-CD2 4Å; L15-Y30 HydrophobicContact CD2-CE2 3.85Å; L15-Y30 HydrophobicContact CG-CD2 4.19Å; L15-Y30 HydrophobicContact CG-CE2 4.26Å; Q28-Y30 PolarHBondContact O-N 3.21Å; Y30-D34 HydrophobicContact CD1-CB 4.08Å
31	S	62.1	Low	53.9	Low	48 Å²	48	88.6 Å²	88.6	34%	0.336	48%	0.475	S	S	.	.			trans	-71.8	151.1	170.3	78.2	0	0	0	0	110.1	N33 D34 V35	S31-N33 PolarHBondContact O-N 3.42Å; S31-D34 WeakPolarHBondContact CB-OD2 3.48Å; S31-D34 PolarHBondContact N-OD2 2.94Å; S31-D34 PolarHBondContact O-N 2.83Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 3.34Å; S31-D34 VanDerWaalsContact OG-N 3.14Å; S31-D34 PolarHBondContact OG-OD2 3.36Å; S31-V35 PolarHBondContact O-N 2.74Å
32	L	59.5	Low	54.3	Low	112 Å²	112	83.9 Å²	83.9	59%	0.586	45%	0.454	S	S	*	.	H	α-helix	trans	-55.6	-33.3	174.1	-174.9	67.4	0	0	0	111.9	V35 K36	L32-V35 PolarHBondContact O-N 3.46Å; L32-K36 WeakPolarHBondContact O-CB 3.45Å; L32-K36 PolarHBondContact O-N 3.26Å
33	N	65	Low	54.5	Low	126 Å²	126	82 Å²	82	67%	0.674	44%	0.443	S	S	*	.	H	α-helix	trans	-67.6	-40.2	177.6	-72.8	-22.7	0	0	0	112.2	S31 V35 K36 G37	S31-N33 PolarHBondContact O-N 3.42Å; N33-V35 VanDerWaalsContact C-N 3.33Å; N33-V35 PolarHBondContact O-N 3.47Å; N33-K36 PolarHBondContact O-N 2.81Å; N33-G37 PolarHBondContact O-N 3.36Å
34	D	60.9	Low	54.6	Low	83 Å²	83	77.5 Å²	77.5	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-62.7	-43	176.1	-61.9	-44.3	0	0	0	111.1	Y30 S31 G37 R38	Y30-D34 HydrophobicContact CD1-CB 4.08Å; S31-D34 WeakPolarHBondContact CB-OD2 3.48Å; S31-D34 PolarHBondContact N-OD2 2.94Å; S31-D34 PolarHBondContact O-N 2.83Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 3.34Å; S31-D34 VanDerWaalsContact OG-N 3.14Å; S31-D34 PolarHBondContact OG-OD2 3.36Å; D34-G37 PolarHBondContact O-N 3.42Å; D34-R38 WeakPolarHBondContact O-CG 3.49Å; D34-R38 PolarHBondContact O-N 2.95Å
35	V	48.4	Very low	54.1	Low	7 Å²	7	79 Å²	79	4%	0.042	41%	0.413	C	S	.	.	H	α-helix	trans	-66.8	-40.8	177.4	174	0	0	0	0	111.3	L12 V16 S31 L32 N33 G37 R38 L39	L12-V35 HydrophobicContact CB-CG1 4.13Å; V16-V35 HydrophobicContact CG2-CB 3.86Å; V16-V35 HydrophobicContact CG2-CG1 3.92Å; V16-V35 HydrophobicContact CG2-CG2 3.46Å; V16-V35 VanDerWaalsContact CG2-CG2 3.46Å; S31-V35 PolarHBondContact O-N 2.74Å; L32-V35 PolarHBondContact O-N 3.46Å; N33-V35 VanDerWaalsContact C-N 3.33Å; N33-V35 PolarHBondContact O-N 3.47Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 2.92Å; V35-R38 PolarHBondContact O-N 3.41Å; V35-L39 HydrophobicContact CG1-CD1 4.13Å; V35-L39 HydrophobicContact CG1-CG 4.42Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 3.33Å
36	K	57.6	Low	54.1	Low	98 Å²	98	76.2 Å²	76.2	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-59.7	-44.6	173.5	-167.7	-175.3	-177.6	-166.6	0	111.5	L32 N33 R38 L39 Q40	L32-K36 WeakPolarHBondContact O-CB 3.45Å; L32-K36 PolarHBondContact O-N 3.26Å; N33-K36 PolarHBondContact O-N 2.81Å; K36-R38 PolarHBondContact O-N 2.88Å; K36-L39 PolarHBondContact O-N 2.91Å; K36-Q40 WeakPolarHBondContact O-CB 3.47Å; K36-Q40 PolarHBondContact O-N 2.68Å
37	G	58.4	Low	54.2	Low	43 Å²	43	73.8 Å²	73.8	44%	0.443	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-41.7	176.5	0	0	0	0	0	112.7	N33 D34 V35 Q40 S41	N33-G37 PolarHBondContact O-N 3.36Å; D34-G37 PolarHBondContact O-N 3.42Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 2.92Å; G37-Q40 PolarHBondContact O-N 3.39Å; G37-S41 PolarHBondContact O-N 3.35Å
38	R	53.3	Low	54.3	Low	132 Å²	132	75.2 Å²	75.2	50%	0.498	39%	0.39	S	S	.	.	H	α-helix	trans	-66	-41.7	175.7	-73.1	175.4	179.4	-94.1	1.6	112.6	L12 D34 V35 K36 Q40 S41 L42	L12-R38 HydrophobicContact CD2-CB 4.11Å; D34-R38 WeakPolarHBondContact O-CG 3.49Å; D34-R38 PolarHBondContact O-N 2.95Å; V35-R38 PolarHBondContact O-N 3.41Å; K36-R38 PolarHBondContact O-N 2.88Å; R38-Q40 VanDerWaalsContact C-N 3.33Å; R38-S41 PolarHBondContact O-N 2.98Å; R38-L42 WeakPolarHBondContact O-CB 3.5Å; R38-L42 PolarHBondContact O-N 3.33Å
39	L	51	Low	53.9	Low	63 Å²	63	71.8 Å²	71.8	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-38.8	174.7	-73.3	172.7	0	0	0	111.7	L12 V35 K36 L42 S43	L12-L39 HydrophobicContact CD1-CD2 3.79Å; L12-L39 HydrophobicContact CD1-CG 4.23Å; V35-L39 HydrophobicContact CG1-CD1 4.13Å; V35-L39 HydrophobicContact CG1-CG 4.42Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 3.33Å; K36-L39 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 2.84Å; L39-S43 WeakPolarHBondContact O-CB 3.37Å; L39-S43 PolarHBondContact O-N 3.35Å
40	Q	60.8	Low	53.6	Low	83 Å²	83	73 Å²	73	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-48.5	174.8	-173.5	62.3	42.2	0	0	111.1	K36 G37 R38 L42 S43 D44	K36-Q40 WeakPolarHBondContact O-CB 3.47Å; K36-Q40 PolarHBondContact O-N 2.68Å; G37-Q40 PolarHBondContact O-N 3.39Å; R38-Q40 VanDerWaalsContact C-N 3.33Å; Q40-L42 VanDerWaalsContact C-N 3.32Å; Q40-L42 PolarHBondContact O-N 3.42Å; Q40-S43 WeakPolarHBondContact O-CA 3.39Å; Q40-S43 WeakPolarHBondContact O-CB 3.47Å; Q40-S43 PolarHBondContact O-N 3.33Å; Q40-D44 PolarHBondContact NE2-OD1 3.27Å; Q40-D44 PolarHBondContact NE2-OD2 3.15Å; Q40-D44 VanDerWaalsContact NE2-OD2 3.15Å; Q40-D44 PolarHBondContact O-N 3.5Å
41	S	53.8	Low	53.7	Low	64 Å²	64	72 Å²	72	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-41.7	176.2	178.4	0	0	0	0	112.2	G37 R38 D44 N45	G37-S41 PolarHBondContact O-N 3.35Å; R38-S41 PolarHBondContact O-N 2.98Å; S41-D44 PolarHBondContact O-N 3.47Å; S41-N45 WeakPolarHBondContact O-CB 3.38Å; S41-N45 VanDerWaalsContact O-CG 3.28Å; S41-N45 PolarHBondContact O-N 3.12Å; S41-N45 PolarHBondContact O-ND2 2.87Å
42	L	48.5	Very low	53	Low	36 Å²	36	72 Å²	72	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-45.8	173	-177.1	64.7	0	0	0	110.9	L5 R38 L39 Q40 D44 N45 L46	L5-L42 HydrophobicContact CD2-CD2 4.16Å; R38-L42 WeakPolarHBondContact O-CB 3.5Å; R38-L42 PolarHBondContact O-N 3.33Å; L39-L42 PolarHBondContact O-N 2.84Å; Q40-L42 VanDerWaalsContact C-N 3.32Å; Q40-L42 PolarHBondContact O-N 3.42Å; L42-D44 VanDerWaalsContact C-N 3.34Å; L42-D44 PolarHBondContact O-N 3.48Å; L42-N45 PolarHBondContact O-N 3.25Å; L42-L46 HydrophobicContact CG-CD1 4.17Å; L42-L46 WeakPolarHBondContact O-CG 3.42Å; L42-L46 PolarHBondContact O-N 3.28Å
43	S	49	Very low	52.3	Low	25 Å²	25	67 Å²	67	18%	0.175	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-40.9	177.4	-175.7	0	0	0	0	112.6	L39 Q40 L46 K47	L39-S43 WeakPolarHBondContact O-CB 3.37Å; L39-S43 PolarHBondContact O-N 3.35Å; Q40-S43 WeakPolarHBondContact O-CA 3.39Å; Q40-S43 WeakPolarHBondContact O-CB 3.47Å; Q40-S43 PolarHBondContact O-N 3.33Å; S43-L46 PolarHBondContact O-N 3.12Å; S43-K47 WeakPolarHBondContact O-CG 3.32Å; S43-K47 PolarHBondContact O-N 2.83Å
44	D	57.1	Low	51.6	Low	68 Å²	68	66.4 Å²	66.4	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-72.9	-36.8	-178.5	-66.4	-30.6	0	0	0	111.5	Q40 S41 L42 L46 K47 K48	Q40-D44 PolarHBondContact NE2-OD1 3.27Å; Q40-D44 PolarHBondContact NE2-OD2 3.15Å; Q40-D44 VanDerWaalsContact NE2-OD2 3.15Å; Q40-D44 PolarHBondContact O-N 3.5Å; S41-D44 PolarHBondContact O-N 3.47Å; L42-D44 VanDerWaalsContact C-N 3.34Å; L42-D44 PolarHBondContact O-N 3.48Å; D44-L46 VanDerWaalsContact C-N 3.34Å; D44-K47 PolarHBondContact O-N 3.3Å; D44-K47 IonicContact OD1-NZ 3.22Å; D44-K47 PolarHBondContact OD1-NZ 2.81Å; D44-K48 PolarHBondContact O-N 3.2Å
45	N	48.3	Very low	51.2	Low	88 Å²	88	68.7 Å²	68.7	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-42.7	170.1	-72	-26	0	0	0	111.4	S41 L42 K47 K48 D49	S41-N45 WeakPolarHBondContact O-CB 3.38Å; S41-N45 VanDerWaalsContact O-CG 3.28Å; S41-N45 PolarHBondContact O-N 3.12Å; S41-N45 PolarHBondContact O-ND2 2.87Å; L42-N45 PolarHBondContact O-N 3.25Å; N45-K47 VanDerWaalsContact C-N 3.34Å; N45-K47 PolarHBondContact O-N 3.24Å; N45-K48 PolarHBondContact O-N 3.18Å; N45-D49 PolarHBondContact O-N 3.43Å
46	L	47.9	Very low	51.2	Low	29 Å²	29	69.3 Å²	69.3	15%	0.152	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-38	176.7	-69.6	169.1	0	0	0	112.4	L5 L42 S43 D44 E50 L173	L5-L46 HydrophobicContact CD1-CD2 4.21Å; L42-L46 HydrophobicContact CG-CD1 4.17Å; L42-L46 WeakPolarHBondContact O-CG 3.42Å; L42-L46 PolarHBondContact O-N 3.28Å; S43-L46 PolarHBondContact O-N 3.12Å; D44-L46 VanDerWaalsContact C-N 3.34Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 PolarHBondContact O-N 2.96Å; L46-L173 HydrophobicContact CD2-CD2 3.54Å
47	K	50.9	Low	50.7	Low	106 Å²	106	65.9 Å²	65.9	46%	0.461	33%	0.334	S	S	.	.	H	α-helix	trans	-66.1	-38.8	173.7	-72	172.9	-170.6	159.7	0	112.2	S43 D44 N45 E50 S51	S43-K47 WeakPolarHBondContact O-CG 3.32Å; S43-K47 PolarHBondContact O-N 2.83Å; D44-K47 PolarHBondContact O-N 3.3Å; D44-K47 IonicContact OD1-NZ 3.22Å; D44-K47 PolarHBondContact OD1-NZ 2.81Å; N45-K47 VanDerWaalsContact C-N 3.34Å; N45-K47 PolarHBondContact O-N 3.24Å; K47-E50 PolarHBondContact O-N 3.42Å; K47-S51 PolarHBondContact O-N 2.98Å
48	K	53.3	Low	50.6	Low	132 Å²	132	68.4 Å²	68.4	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-64.9	-47.6	176.7	-174.5	-178.4	175.3	-175.5	0	110.6	D44 N45 E50 S51 D52	D44-K48 PolarHBondContact O-N 3.2Å; N45-K48 PolarHBondContact O-N 3.18Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.31Å; K48-S51 PolarHBondContact O-N 3.44Å; K48-S51 VanDerWaalsContact O-N 3.13Å; K48-D52 PolarHBondContact O-N 2.87Å
49	D	45.9	Very low	50.7	Low	51 Å²	51	66.2 Å²	66.2	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-55.4	-48.1	173.9	-73.7	-2.5	0	0	0	110.5	N45 S51 D52 L53 Y169	N45-D49 PolarHBondContact O-N 3.43Å; D49-S51 VanDerWaalsContact C-N 3.34Å; D49-S51 PolarHBondContact O-N 3.05Å; D49-D52 PolarHBondContact O-N 3.49Å; D49-L53 WeakPolarHBondContact O-CB 3.44Å; D49-L53 VanDerWaalsContact O-CD1 3.28Å; D49-L53 WeakPolarHBondContact O-CD1 3.43Å; D49-L53 WeakPolarHBondContact O-CG 3.43Å; D49-L53 PolarHBondContact O-N 3.39Å; D49-Y169 HydrophobicContact CB-CE1 4.35Å; D49-Y169 PolarHBondContact OD2-OH 3.07Å
50	E	45.6	Very low	50.7	Low	62 Å²	62	63.5 Å²	63.5	29%	0.29	32%	0.315	S	S	.	.	H	α-helix	trans	-55.1	-46.3	175.6	-176.9	177.9	-163.8	0	0	112	L46 K47 K48 L53 Y54 L173	L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 PolarHBondContact O-N 2.96Å; K47-E50 PolarHBondContact O-N 3.42Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.31Å; E50-L53 PolarHBondContact O-N 3.35Å; E50-Y54 HydrophobicContact CG-CD2 3.87Å; E50-Y54 HydrophobicContact CG-CE2 3.62Å; E50-Y54 WeakPolarHBondContact O-CD2 3.45Å; E50-Y54 PolarHBondContact O-N 3.02Å; E50-L173 HydrophobicContact CB-CD1 4.12Å
51	S	51	Low	50.3	Low	56 Å²	56	63.9 Å²	63.9	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-45.3	178.4	-172.6	0	0	0	0	113.1	K47 K48 D49 L53 Y54 K55	K47-S51 PolarHBondContact O-N 2.98Å; K48-S51 PolarHBondContact O-N 3.44Å; K48-S51 VanDerWaalsContact O-N 3.13Å; D49-S51 VanDerWaalsContact C-N 3.34Å; D49-S51 PolarHBondContact O-N 3.05Å; S51-L53 PolarHBondContact O-N 3.34Å; S51-Y54 PolarHBondContact O-N 3.47Å; S51-K55 WeakPolarHBondContact O-CG 3.39Å; S51-K55 PolarHBondContact O-N 2.97Å; S51-K55 VanDerWaalsContact O-N 3.13Å
52	D	46.5	Very low	50.6	Low	49 Å²	49	66.8 Å²	66.8	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-30.3	179.5	-71	-20.4	0	0	0	111.3	K48 D49 K55 S56	K48-D52 PolarHBondContact O-N 2.87Å; D49-D52 PolarHBondContact O-N 3.49Å; D52-K55 IonicContact OD1-NZ 3.8Å; D52-S56 WeakPolarHBondContact O-CB 3.49Å; D52-S56 PolarHBondContact O-N 3.27Å; D52-S56 PolarHBondContact O-OG 3.13Å
53	L	45.4	Very low	50.7	Low	6 Å²	6	67.6 Å²	67.6	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-73.5	-41.8	174.3	-69	165.8	0	0	0	112.9	D49 E50 S51 K55 S56 E57 I136 V166 Y169 L173	D49-L53 WeakPolarHBondContact O-CB 3.44Å; D49-L53 VanDerWaalsContact O-CD1 3.28Å; D49-L53 WeakPolarHBondContact O-CD1 3.43Å; D49-L53 WeakPolarHBondContact O-CG 3.43Å; D49-L53 PolarHBondContact O-N 3.39Å; E50-L53 PolarHBondContact O-N 3.35Å; S51-L53 PolarHBondContact O-N 3.34Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.33Å; L53-S56 WeakPolarHBondContact O-CB 3.22Å; L53-S56 PolarHBondContact O-N 3.41Å; L53-S56 VanDerWaalsContact O-N 3.09Å; L53-E57 PolarHBondContact O-N 3.08Å; L53-I136 HydrophobicContact CD2-CG2 3.81Å; L53-V166 HydrophobicContact CB-CG1 4.23Å; L53-V166 HydrophobicContact CD2-CB 4.36Å; L53-V166 HydrophobicContact CD2-CG1 3.94Å; L53-V166 HydrophobicContact CD2-CG2 3.95Å; L53-Y169 HydrophobicContact CD1-CD1 3.19Å; L53-Y169 HydrophobicContact CD1-CE1 3.48Å; L53-Y169 VanDerWaalsContact CD1-CE1 3.48Å; L53-Y169 HydrophobicContact CD1-CG 4.21Å; L53-L173 HydrophobicContact CD1-CD1 4.01Å
54	Y	49.4	Very low	50.8	Low	114 Å²	114	68.3 Å²	68.3	45%	0.447	32%	0.324	S	S	.	.	H	α-helix	trans	-58.1	-42.7	172.9	-88.3	-64.3	0	0	0	111.6	E50 S51 S56 E57 E58	E50-Y54 HydrophobicContact CG-CD2 3.87Å; E50-Y54 HydrophobicContact CG-CE2 3.62Å; E50-Y54 WeakPolarHBondContact O-CD2 3.45Å; E50-Y54 PolarHBondContact O-N 3.02Å; S51-Y54 PolarHBondContact O-N 3.47Å; Y54-S56 VanDerWaalsContact C-N 3.32Å; Y54-S56 PolarHBondContact O-N 2.92Å; Y54-E57 PolarHBondContact O-N 3.1Å; Y54-E58 WeakPolarHBondContact O-CG 3.41Å; Y54-E58 PolarHBondContact O-N 3.36Å; Y54-E58 VanDerWaalsContact O-N 3.12Å
55	K	53.2	Low	50.6	Low	130 Å²	130	66.4 Å²	66.4	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-61.5	-41.8	173.9	-69.3	172.4	-170.7	163.1	0	111.8	S51 D52 L53 E58 E59	S51-K55 WeakPolarHBondContact O-CG 3.39Å; S51-K55 PolarHBondContact O-N 2.97Å; S51-K55 VanDerWaalsContact O-N 3.13Å; D52-K55 IonicContact OD1-NZ 3.8Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.33Å; K55-E58 PolarHBondContact O-N 2.93Å; K55-E59 WeakPolarHBondContact O-CB 3.4Å; K55-E59 PolarHBondContact O-N 2.88Å
56	S	47.2	Very low	51	Low	20 Å²	20	66.5 Å²	66.5	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-40.1	178.7	-60.1	0	0	0	0	112.1	D52 L53 Y54 E59 L60	D52-S56 WeakPolarHBondContact O-CB 3.49Å; D52-S56 PolarHBondContact O-N 3.27Å; D52-S56 PolarHBondContact O-OG 3.13Å; L53-S56 WeakPolarHBondContact O-CB 3.22Å; L53-S56 PolarHBondContact O-N 3.41Å; L53-S56 VanDerWaalsContact O-N 3.09Å; Y54-S56 VanDerWaalsContact C-N 3.32Å; Y54-S56 PolarHBondContact O-N 2.92Å; S56-E59 PolarHBondContact O-N 3.47Å; S56-L60 VanDerWaalsContact O-CG 3.28Å; S56-L60 WeakPolarHBondContact O-CG 3.43Å; S56-L60 PolarHBondContact O-N 2.8Å
57	E	48.7	Very low	50.9	Low	27 Å²	27	66.5 Å²	66.5	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-47.5	175.9	-172.5	-175.2	150.6	0	0	111.8	L53 Y54 E59 L60 K61 Y163	L53-E57 PolarHBondContact O-N 3.08Å; Y54-E57 PolarHBondContact O-N 3.1Å; E57-E59 VanDerWaalsContact C-N 3.29Å; E57-E59 PolarHBondContact O-N 2.87Å; E57-L60 PolarHBondContact O-N 2.97Å; E57-K61 WeakPolarHBondContact O-CG 3.4Å; E57-K61 PolarHBondContact O-N 2.9Å; E57-K61 WeakPolarHBondContact OE1-CE 3.46Å; E57-K61 IonicContact OE1-NZ 2.82Å; E57-K61 PolarHBondContact OE1-NZ 3.02Å; E57-Y163 HydrophobicContact CG-CD2 4.1Å; E57-Y163 HydrophobicContact CG-CE2 3.75Å
58	E	56.2	Low	50.9	Low	96 Å²	96	63 Å²	63	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-37.6	177.7	-71.4	-57.8	120.3	0	0	111.9	Y54 K55 K61 K62	Y54-E58 WeakPolarHBondContact O-CG 3.41Å; Y54-E58 PolarHBondContact O-N 3.36Å; Y54-E58 VanDerWaalsContact O-N 3.12Å; K55-E58 PolarHBondContact O-N 2.93Å; E58-K61 PolarHBondContact O-N 3.19Å; E58-K61 IonicContact OE1-NZ 2.64Å; E58-K61 PolarHBondContact OE1-NZ 3.32Å; E58-K62 WeakPolarHBondContact O-CG 3.28Å; E58-K62 PolarHBondContact O-N 3.48Å; E58-K62 VanDerWaalsContact O-N 3.08Å
59	E	55.3	Low	51.2	Low	86 Å²	86	64.1 Å²	64.1	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-66.3	-40.2	175.4	-168.1	55.4	-148.5	0	0	112.2	K55 S56 E57 K61 K62 Q63	K55-E59 WeakPolarHBondContact O-CB 3.4Å; K55-E59 PolarHBondContact O-N 2.88Å; S56-E59 PolarHBondContact O-N 3.47Å; E57-E59 VanDerWaalsContact C-N 3.29Å; E57-E59 PolarHBondContact O-N 2.87Å; E59-K61 PolarHBondContact O-N 3.26Å; E59-K62 WeakPolarHBondContact O-CB 3.36Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 IonicContact OE2-NZ 3.26Å; E59-Q63 WeakPolarHBondContact O-CG 3.42Å; E59-Q63 PolarHBondContact O-N 3.31Å
60	L	50.7	Low	51.5	Low	5 Å²	5	66.4 Å²	66.4	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-40.5	174.9	-69.1	166.6	0	0	0	111.9	S56 E57 K62 Q63 I64 T159 K162	S56-L60 VanDerWaalsContact O-CG 3.28Å; S56-L60 WeakPolarHBondContact O-CG 3.43Å; S56-L60 PolarHBondContact O-N 2.8Å; E57-L60 PolarHBondContact O-N 2.97Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.1Å; L60-Q63 PolarHBondContact O-N 3.41Å; L60-I64 WeakPolarHBondContact O-CG1 3.25Å; L60-I64 PolarHBondContact O-N 3.44Å; L60-T159 HydrophobicContact CB-CG2 4.34Å; L60-T159 HydrophobicContact CD2-CG2 3.62Å; L60-K162 HydrophobicContact CD1-CB 4.43Å; L60-K162 HydrophobicContact CD1-CD 4.49Å; L60-K162 HydrophobicContact CD1-CG 4.13Å; L60-K162 HydrophobicContact CD2-CD 4.11Å; L60-K162 HydrophobicContact CD2-CG 4.44Å
61	K	53.2	Low	51.7	Low	91 Å²	91	66.1 Å²	66.1	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-42	174.5	-73.1	174.4	-170.9	157	0	111.5	E57 E58 E59 I64 G65	E57-K61 WeakPolarHBondContact O-CG 3.4Å; E57-K61 PolarHBondContact O-N 2.9Å; E57-K61 WeakPolarHBondContact OE1-CE 3.46Å; E57-K61 IonicContact OE1-NZ 2.82Å; E57-K61 PolarHBondContact OE1-NZ 3.02Å; E58-K61 PolarHBondContact O-N 3.19Å; E58-K61 IonicContact OE1-NZ 2.64Å; E58-K61 PolarHBondContact OE1-NZ 3.32Å; E59-K61 PolarHBondContact O-N 3.26Å; K61-I64 PolarHBondContact O-N 2.83Å; K61-G65 PolarHBondContact O-N 3.36Å
62	K	59.7	Low	52.1	Low	126 Å²	126	68.4 Å²	68.4	55%	0.548	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-45.4	174.5	-69.8	174.3	-169.9	169.2	0	111.6	E58 E59 L60 I64 G65 V66	E58-K62 WeakPolarHBondContact O-CG 3.28Å; E58-K62 PolarHBondContact O-N 3.48Å; E58-K62 VanDerWaalsContact O-N 3.08Å; E59-K62 WeakPolarHBondContact O-CB 3.36Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 IonicContact OE2-NZ 3.26Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.1Å; K62-I64 PolarHBondContact O-N 3.19Å; K62-G65 CarbonylContact O-C 3.59Å; K62-G65 WeakPolarHBondContact O-CA 3.5Å; K62-G65 PolarHBondContact O-N 2.92Å; K62-G65 VanDerWaalsContact O-N 3.08Å; K62-V66 WeakPolarHBondContact O-CG2 3.35Å; K62-V66 PolarHBondContact O-N 2.96Å
63	Q	49.9	Very low	52.2	Low	53 Å²	53	67.9 Å²	67.9	25%	0.248	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-43.2	178.5	-70.4	175.5	21.9	0	0	111.9	E59 L60 G65 V66 V67	E59-Q63 WeakPolarHBondContact O-CG 3.42Å; E59-Q63 PolarHBondContact O-N 3.31Å; L60-Q63 PolarHBondContact O-N 3.41Å; Q63-G65 VanDerWaalsContact C-N 3.3Å; Q63-G65 PolarHBondContact O-N 3.41Å; Q63-V66 PolarHBondContact O-N 3.02Å; Q63-V67 WeakPolarHBondContact O-CG2 3.26Å; Q63-V67 PolarHBondContact O-N 2.77Å
64	I	51.2	Low	52.6	Low	39 Å²	39	71.2 Å²	71.2	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-44.6	172.4	-66.9	163.1	0	0	0	110.2	L60 K61 K62 V66 V67 V68 T159 F160	L60-I64 WeakPolarHBondContact O-CG1 3.25Å; L60-I64 PolarHBondContact O-N 3.44Å; K61-I64 PolarHBondContact O-N 2.83Å; K62-I64 PolarHBondContact O-N 3.19Å; I64-V66 VanDerWaalsContact C-N 3.35Å; I64-V66 PolarHBondContact O-N 2.09Å; I64-V67 PolarHBondContact O-N 2.81Å; I64-V68 HydrophobicContact CG2-CG2 4.37Å; I64-V68 WeakPolarHBondContact O-CG2 3.41Å; I64-V68 PolarHBondContact O-N 2.83Å; I64-T159 HydrophobicContact CD1-CG2 4.16Å; I64-T159 HydrophobicContact CG1-CG2 3.9Å; I64-F160 HydrophobicContact CD1-CE1 3.85Å; I64-F160 HydrophobicContact CD1-CZ 3.68Å; I64-F160 HydrophobicContact CG1-CZ 4.29Å
65	G	53.7	Low	52.7	Low	29 Å²	29	71.8 Å²	71.8	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-42.9	176.6	0	0	0	0	0	113.4	K61 K62 Q63 V68 Q69	K61-G65 PolarHBondContact O-N 3.36Å; K62-G65 CarbonylContact O-C 3.59Å; K62-G65 WeakPolarHBondContact O-CA 3.5Å; K62-G65 PolarHBondContact O-N 2.92Å; K62-G65 VanDerWaalsContact O-N 3.08Å; Q63-G65 VanDerWaalsContact C-N 3.3Å; Q63-G65 PolarHBondContact O-N 3.41Å; G65-V68 PolarHBondContact O-N 3.35Å; G65-Q69 WeakPolarHBondContact O-CG 3.48Å; G65-Q69 PolarHBondContact O-N 3.13Å
66	V	55.3	Low	52.5	Low	90 Å²	90	71.4 Å²	71.4	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-43.7	175.2	171.9	0	0	0	0	110.9	K62 Q63 I64 Q69 K70	K62-V66 WeakPolarHBondContact O-CG2 3.35Å; K62-V66 PolarHBondContact O-N 2.96Å; Q63-V66 PolarHBondContact O-N 3.02Å; I64-V66 VanDerWaalsContact C-N 3.35Å; I64-V66 PolarHBondContact O-N 2.09Å; V66-Q69 PolarHBondContact O-N 2.84Å; V66-K70 VanDerWaalsContact O-CB 3.24Å; V66-K70 WeakPolarHBondContact O-CB 3.35Å; V66-K70 PolarHBondContact O-N 3.3Å
67	V	47	Very low	52.2	Low	28 Å²	28	74.3 Å²	74.3	17%	0.17	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-46.6	177	175.2	0	0	0	0	110.7	Q63 I64 Q69 K70 F71 I73 M152 L156	Q63-V67 WeakPolarHBondContact O-CG2 3.26Å; Q63-V67 PolarHBondContact O-N 2.77Å; I64-V67 PolarHBondContact O-N 2.81Å; V67-Q69 PolarHBondContact O-N 3.49Å; V67-K70 PolarHBondContact O-N 3.07Å; V67-F71 HydrophobicContact CG1-CD2 3.96Å; V67-F71 HydrophobicContact CG1-CE2 4.3Å; V67-F71 VanDerWaalsContact O-CD2 3.29Å; V67-F71 WeakPolarHBondContact O-CD2 3.32Å; V67-F71 PolarHBondContact O-N 2.97Å; V67-F71 VanDerWaalsContact O-N 3.14Å; V67-I73 HydrophobicContact CG1-CD1 4.42Å; V67-M152 HydrophobicContact CG1-CG 3.81Å; V67-M152 HydrophobicContact CG1-SD 4.24Å; V67-L156 HydrophobicContact CG1-CD1 4.04Å
68	V	51.4	Low	51.8	Low	32 Å²	32	74.4 Å²	74.4	19%	0.194	40%	0.395	C	S	.	.	H	α-helix	trans	-58.5	-46.6	178.1	169.3	0	0	0	0	111.7	I64 G65 S72 I73 V78	I64-V68 HydrophobicContact CG2-CG2 4.37Å; I64-V68 WeakPolarHBondContact O-CG2 3.41Å; I64-V68 PolarHBondContact O-N 2.83Å; G65-V68 PolarHBondContact O-N 3.35Å; V68-S72 PolarHBondContact O-N 3.29Å; V68-I73 PolarHBondContact O-N 3.25Å; V68-V78 HydrophobicContact CB-CG2 4.3Å; V68-V78 HydrophobicContact CG1-CG2 3.7Å; V68-V78 HydrophobicContact CG2-CG1 4.2Å; V68-V78 HydrophobicContact CG2-CG2 3.56Å
69	Q	58	Low	51.1	Low	157 Å²	157	72.8 Å²	72.8	73%	0.734	39%	0.391	S	S	*	.	H	α-helix	trans	-65.6	-46.7	178.9	-75.3	-179.7	-2.1	0	0	112	G65 V66 V67 F71 S72	G65-Q69 WeakPolarHBondContact O-CG 3.48Å; G65-Q69 PolarHBondContact O-N 3.13Å; V66-Q69 PolarHBondContact O-N 2.84Å; V67-Q69 PolarHBondContact O-N 3.49Å; Q69-F71 VanDerWaalsContact C-N 3.29Å; Q69-F71 PolarHBondContact O-N 3.28Å; Q69-S72 PolarHBondContact O-N 3.25Å
70	K	54	Low	50.4	Low	98 Å²	98	73.9 Å²	73.9	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-37.1	-175.8	-175.3	172.7	179.8	-179.5	0	112.4	V66 V67 E145	V66-K70 VanDerWaalsContact O-CB 3.24Å; V66-K70 WeakPolarHBondContact O-CB 3.35Å; V66-K70 PolarHBondContact O-N 3.3Å; V67-K70 PolarHBondContact O-N 3.07Å; K70-E145 VanDerWaalsContact NZ-CG 3.27Å; K70-E145 IonicContact NZ-OE1 2.8Å; K70-E145 PolarHBondContact NZ-OE1 2.84Å; K70-E145 IonicContact NZ-OE2 3.57Å
71	F	48	Very low	49.9	Very low	56 Å²	56	77.2 Å²	77.2	25%	0.246	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	8.8	-176.7	-67	-76.2	0	0	0	114.2	V67 Q69 I73 P146 M152	V67-F71 HydrophobicContact CG1-CD2 3.96Å; V67-F71 HydrophobicContact CG1-CE2 4.3Å; V67-F71 VanDerWaalsContact O-CD2 3.29Å; V67-F71 WeakPolarHBondContact O-CD2 3.32Å; V67-F71 PolarHBondContact O-N 2.97Å; V67-F71 VanDerWaalsContact O-N 3.14Å; Q69-F71 VanDerWaalsContact C-N 3.29Å; Q69-F71 PolarHBondContact O-N 3.28Å; F71-I73 HydrophobicContact CB-CD1 4.11Å; F71-I73 HydrophobicContact CB-CG1 3.67Å; F71-I73 PolarHBondContact O-N 3.06Å; F71-I73 VanDerWaalsContact O-N 3.08Å; F71-P146 HydrophobicContact CE2-CB 4.14Å; F71-P146 HydrophobicContact CE2-CG 3.43Å; F71-P146 VanDerWaalsContact CE2-CG 3.43Å; F71-P146 HydrophobicContact CZ-CB 3.89Å; F71-P146 HydrophobicContact CZ-CG 3.58Å; F71-M152 HydrophobicContact CB-CE 3.75Å; F71-M152 HydrophobicContact CB-SD 4.5Å; F71-M152 HydrophobicContact CD1-CE 3.32Å; F71-M152 HydrophobicContact CD2-CE 3.45Å; F71-M152 VanDerWaalsContact CD2-CE 3.45Å; F71-M152 HydrophobicContact CD2-CG 4.29Å; F71-M152 HydrophobicContact CD2-SD 4.05Å; F71-M152 HydrophobicContact CE1-CE 3.68Å; F71-M152 HydrophobicContact CE2-CE 3.81Å; F71-M152 HydrophobicContact CE2-CG 4.23Å; F71-M152 HydrophobicContact CG-CE 3.19Å; F71-M152 HydrophobicContact CG-SD 4.22Å; F71-M152 HydrophobicContact CZ-CE 3.91Å
72	S	60.2	Low	49.3	Very low	105 Å²	105	76 Å²	76	73%	0.734	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	39.4	-177.3	-58.3	0	0	0	0	112.2	V68 Q69 P74	V68-S72 PolarHBondContact O-N 3.29Å; Q69-S72 PolarHBondContact O-N 3.25Å; S72-P74 WeakPolarHBondContact O-CD 3.49Å
73	I	49.7	Very low	48.5	Very low	38 Å²	38	75.4 Å²	75.4	20%	0.195	41%	0.408	C	S	.	.			trans	-66.1	125	-175.5	-56.4	-179.3	0	0	0	107.1	V67 V68 F71 L75 T77 V78 M152	V67-I73 HydrophobicContact CG1-CD1 4.42Å; V68-I73 PolarHBondContact O-N 3.25Å; F71-I73 HydrophobicContact CB-CD1 4.11Å; F71-I73 HydrophobicContact CB-CG1 3.67Å; F71-I73 PolarHBondContact O-N 3.06Å; F71-I73 VanDerWaalsContact O-N 3.08Å; I73-L75 PolarHBondContact O-N 3.5Å; I73-T77 HydrophobicContact CG2-CG2 3.98Å; I73-V78 HydrophobicContact CB-CG2 4.38Å; I73-V78 HydrophobicContact CG2-CG2 3.99Å; I73-M152 HydrophobicContact CD1-SD 3.82Å
74	P	52.5	Low	47.8	Very low	75 Å²	75	76.2 Å²	76.2	49%	0.487	42%	0.419	S	S	.	.			trans	-53.3	134.6	178.4	-25.7	33.9	0	0	0	110.6	S72 D76 T77 V78	S72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-D76 PolarHBondContact O-N 3.5Å; P74-T77 WeakPolarHBondContact O-CB 3.43Å; P74-T77 PolarHBondContact O-N 3.02Å; P74-V78 PolarHBondContact O-N 3.48Å
75	L	52.1	Low	47.2	Very low	127 Å²	127	75.3 Å²	75.3	67%	0.665	42%	0.415	S	S	*	.	H	α-helix	trans	-54.5	-29.7	-177.6	-169.3	70	0	0	0	111.7	I73 V78 T79	I73-L75 PolarHBondContact O-N 3.5Å; L75-V78 CarbonylContact O-C 3.59Å; L75-V78 WeakPolarHBondContact O-CB 3.27Å; L75-V78 PolarHBondContact O-N 3.02Å; L75-T79 WeakPolarHBondContact O-CB 3.47Å; L75-T79 PolarHBondContact O-N 2.97Å; L75-T79 PolarHBondContact O-OG1 3.31Å
76	D	47.9	Very low	46.5	Very low	122 Å²	122	77.5 Å²	77.5	65%	0.652	42%	0.419	S	S	*	.	H	α-helix	trans	-64.7	-42.2	177.7	-37.6	-23.1	0	0	0	111.4	P74 V78 T79 E80	P74-D76 PolarHBondContact O-N 3.5Å; D76-V78 VanDerWaalsContact C-N 3.33Å; D76-T79 WeakPolarHBondContact O-CB 3.36Å; D76-T79 PolarHBondContact O-N 3.33Å; D76-E80 PolarHBondContact O-N 3.16Å
77	T	40.9	Very low	45.6	Very low	80 Å²	80	76.2 Å²	76.2	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-64.9	-40.3	174.5	-51.8	0	0	0	0	110.5	I73 P74 T79 F81	I73-T77 HydrophobicContact CG2-CG2 3.98Å; P74-T77 WeakPolarHBondContact O-CB 3.43Å; P74-T77 PolarHBondContact O-N 3.02Å; T77-T79 VanDerWaalsContact C-N 3.31Å; T77-T79 PolarHBondContact O-N 3.12Å; T77-F81 VanDerWaalsContact O-CB 3.23Å; T77-F81 WeakPolarHBondContact O-CB 3.36Å; T77-F81 PolarHBondContact O-N 3.08Å
78	V	40.8	Very low	44.9	Very low	30 Å²	30	78.8 Å²	78.8	18%	0.182	43%	0.427	C	S	.	.	H	α-helix	trans	-63.9	-40.1	173.4	-176.1	0	0	0	0	110.7	V68 I73 P74 L75 D76 F81 V82	V68-V78 HydrophobicContact CB-CG2 4.3Å; V68-V78 HydrophobicContact CG1-CG2 3.7Å; V68-V78 HydrophobicContact CG2-CG1 4.2Å; V68-V78 HydrophobicContact CG2-CG2 3.56Å; I73-V78 HydrophobicContact CB-CG2 4.38Å; I73-V78 HydrophobicContact CG2-CG2 3.99Å; P74-V78 PolarHBondContact O-N 3.48Å; L75-V78 CarbonylContact O-C 3.59Å; L75-V78 WeakPolarHBondContact O-CB 3.27Å; L75-V78 PolarHBondContact O-N 3.02Å; D76-V78 VanDerWaalsContact C-N 3.33Å; V78-F81 WeakPolarHBondContact O-CB 3.45Å; V78-F81 PolarHBondContact O-N 3.49Å; V78-V82 HydrophobicContact CG1-CG2 4.39Å; V78-V82 WeakPolarHBondContact O-CB 3.47Å; V78-V82 VanDerWaalsContact O-CG2 3.26Å; V78-V82 WeakPolarHBondContact O-CG2 3.39Å; V78-V82 PolarHBondContact O-N 2.73Å
79	T	41.4	Very low	44.1	Very low	61 Å²	61	77.5 Å²	77.5	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-67.8	-45	-179.5	-59.5	0	0	0	0	111.3	L75 D76 T77 F81 V82 K83	L75-T79 WeakPolarHBondContact O-CB 3.47Å; L75-T79 PolarHBondContact O-N 2.97Å; L75-T79 PolarHBondContact O-OG1 3.31Å; D76-T79 WeakPolarHBondContact O-CB 3.36Å; D76-T79 PolarHBondContact O-N 3.33Å; T77-T79 VanDerWaalsContact C-N 3.31Å; T77-T79 PolarHBondContact O-N 3.12Å; T79-F81 VanDerWaalsContact C-N 3.3Å; T79-V82 PolarHBondContact O-N 3.01Å; T79-K83 WeakPolarHBondContact O-CB 3.5Å; T79-K83 WeakPolarHBondContact O-CG 3.19Å; T79-K83 PolarHBondContact O-N 3.01Å
80	E	41.7	Very low	42.9	Very low	109 Å²	109	78.1 Å²	78.1	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-63.5	-38.5	172.7	-80.7	-55.6	133.3	0	0	111.5	D76 K83 C84	D76-E80 PolarHBondContact O-N 3.16Å; E80-K83 PolarHBondContact O-N 2.81Å; E80-K83 WeakPolarHBondContact OE1-CD 3.41Å; E80-K83 IonicContact OE1-NZ 3.72Å; E80-K83 PolarHBondContact OE1-NZ 3.06Å; E80-C84 WeakPolarHBondContact O-CB 3.49Å; E80-C84 PolarHBondContact O-N 3.37Å
81	F	39.3	Very low	41.7	Very low	76 Å²	76	79.3 Å²	79.3	33%	0.333	43%	0.43	S	S	.	.	H	α-helix	trans	-60.1	-48.4	172.5	-160.7	-76.7	0	0	0	111.1	T77 V78 T79 K83 C84 L85 L156 F160	T77-F81 VanDerWaalsContact O-CB 3.23Å; T77-F81 WeakPolarHBondContact O-CB 3.36Å; T77-F81 PolarHBondContact O-N 3.08Å; V78-F81 WeakPolarHBondContact O-CB 3.45Å; V78-F81 PolarHBondContact O-N 3.49Å; T79-F81 VanDerWaalsContact C-N 3.3Å; F81-K83 VanDerWaalsContact C-N 3.35Å; F81-K83 PolarHBondContact O-N 3Å; F81-C84 WeakPolarHBondContact O-CB 3.36Å; F81-C84 PolarHBondContact O-N 2.81Å; F81-L85 HydrophobicContact CD1-CD1 3.68Å; F81-L85 HydrophobicContact CD1-CG 3.85Å; F81-L85 HydrophobicContact CE1-CD1 3.67Å; F81-L85 HydrophobicContact CE1-CD2 3.8Å; F81-L85 HydrophobicContact CE1-CG 3.6Å; F81-L85 VanDerWaalsContact O-CG 3.3Å; F81-L85 WeakPolarHBondContact O-CG 3.07Å; F81-L85 PolarHBondContact O-N 3.27Å; F81-L156 HydrophobicContact CD2-CD2 3.93Å; F81-L156 HydrophobicContact CE1-CD2 4.05Å; F81-L156 HydrophobicContact CE2-CD2 3.29Å; F81-L156 HydrophobicContact CZ-CD2 3.38Å; F81-F160 HydrophobicContact CD1-CE1 4.43Å; F81-F160 AromaticContact CD1-CE2 3.74Å; F81-F160 HydrophobicContact CD1-CE2 3.74Å; F81-F160 AromaticContact CD1-CZ 3.66Å; F81-F160 HydrophobicContact CD1-CZ 3.66Å; F81-F160 HydrophobicContact CE1-CD1 4.13Å; F81-F160 AromaticContact CE1-CD2 3.38Å; F81-F160 HydrophobicContact CE1-CD2 3.38Å; F81-F160 AromaticContact CE1-CE1 3.73Å; F81-F160 HydrophobicContact CE1-CE1 3.73Å; F81-F160 AromaticContact CE1-CE2 2.86Å; F81-F160 HydrophobicContact CE1-CE2 2.86Å; F81-F160 HydrophobicContact CE1-CG 4.02Å; F81-F160 AromaticContact CE1-CZ 3.08Å; F81-F160 HydrophobicContact CE1-CZ 3.08Å; F81-F160 HydrophobicContact CE2-CE2 4.3Å; F81-F160 AromaticContact CZ-CD2 3.35Å; F81-F160 HydrophobicContact CZ-CD2 3.35Å; F81-F160 AromaticContact CZ-CE2 3.2Å; F81-F160 HydrophobicContact CZ-CE2 3.2Å; F81-F160 HydrophobicContact CZ-CG 4.19Å; F81-F160 AromaticContact CZ-CZ 3.93Å; F81-F160 HydrophobicContact CZ-CZ 3.93Å
82	V	41.6	Very low	40.9	Very low	66 Å²	66	79.1 Å²	79.1	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-64.3	-35.6	176.9	171.9	0	0	0	0	112.4	V78 T79 L85 N86	V78-V82 HydrophobicContact CG1-CG2 4.39Å; V78-V82 WeakPolarHBondContact O-CB 3.47Å; V78-V82 VanDerWaalsContact O-CG2 3.26Å; V78-V82 WeakPolarHBondContact O-CG2 3.39Å; V78-V82 PolarHBondContact O-N 2.73Å; T79-V82 PolarHBondContact O-N 3.01Å; V82-L85 WeakPolarHBondContact O-CB 3.48Å; V82-L85 PolarHBondContact O-N 3.34Å; V82-N86 WeakPolarHBondContact O-CB 3.3Å; V82-N86 PolarHBondContact O-N 2.75Å; V82-N86 PolarHBondContact O-ND2 3.38Å
83	K	41.2	Very low	39.5	Very low	112 Å²	112	79.9 Å²	79.9	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-43.1	172.2	-75.6	178.7	-168.9	166	0	111.6	T79 E80 F81 L85 N86 S87	T79-K83 WeakPolarHBondContact O-CB 3.5Å; T79-K83 WeakPolarHBondContact O-CG 3.19Å; T79-K83 PolarHBondContact O-N 3.01Å; E80-K83 PolarHBondContact O-N 2.81Å; E80-K83 WeakPolarHBondContact OE1-CD 3.41Å; E80-K83 IonicContact OE1-NZ 3.72Å; E80-K83 PolarHBondContact OE1-NZ 3.06Å; F81-K83 VanDerWaalsContact C-N 3.35Å; F81-K83 PolarHBondContact O-N 3Å; K83-L85 VanDerWaalsContact C-N 3.35Å; K83-N86 CarbonylContact O-C 3.59Å; K83-N86 PolarHBondContact O-N 2.92Å; K83-S87 WeakPolarHBondContact O-CB 3.38Å; K83-S87 PolarHBondContact O-N 3.41Å
84	C	36.3	Very low	38.4	Very low	71 Å²	71	81.3 Å²	81.3	48%	0.48	46%	0.459	S	S	.	.	H	α-helix	trans	-59.1	-47.4	174.5	-172.8	0	0	0	0	110.4	E80 F81 N86 S87 L88	E80-C84 WeakPolarHBondContact O-CB 3.49Å; E80-C84 PolarHBondContact O-N 3.37Å; F81-C84 WeakPolarHBondContact O-CB 3.36Å; F81-C84 PolarHBondContact O-N 2.81Å; C84-N86 VanDerWaalsContact C-N 3.34Å; C84-N86 PolarHBondContact O-N 3.13Å; C84-S87 WeakPolarHBondContact O-CB 3.33Å; C84-S87 PolarHBondContact O-N 3.44Å; C84-S87 VanDerWaalsContact O-N 3.1Å; C84-L88 WeakPolarHBondContact O-CG 3.2Å; C84-L88 PolarHBondContact O-N 3.18Å
85	L	38.3	Very low	37.4	Very low	20 Å²	20	86.1 Å²	86.1	11%	0.105	47%	0.469	C	S	.	.	H	α-helix	trans	-56.5	-46.2	172.6	-69.4	171.6	0	0	0	112.5	F81 V82 K83 S87 T89 F160	F81-L85 HydrophobicContact CD1-CD1 3.68Å; F81-L85 HydrophobicContact CD1-CG 3.85Å; F81-L85 HydrophobicContact CE1-CD1 3.67Å; F81-L85 HydrophobicContact CE1-CD2 3.8Å; F81-L85 HydrophobicContact CE1-CG 3.6Å; F81-L85 VanDerWaalsContact O-CG 3.3Å; F81-L85 WeakPolarHBondContact O-CG 3.07Å; F81-L85 PolarHBondContact O-N 3.27Å; V82-L85 WeakPolarHBondContact O-CB 3.48Å; V82-L85 PolarHBondContact O-N 3.34Å; K83-L85 VanDerWaalsContact C-N 3.35Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.03Å; L85-T89 VanDerWaalsContact O-CB 3.26Å; L85-T89 WeakPolarHBondContact O-CB 3.28Å; L85-T89 WeakPolarHBondContact O-CG2 3Å; L85-T89 PolarHBondContact O-N 3.48Å; L85-T89 PolarHBondContact O-OG1 2.87Å; L85-F160 HydrophobicContact CD1-CD1 3.85Å; L85-F160 HydrophobicContact CD1-CE1 3.09Å; L85-F160 HydrophobicContact CD1-CZ 3.57Å; L85-F160 HydrophobicContact CD2-CD1 3.22Å; L85-F160 HydrophobicContact CD2-CE1 3.47Å; L85-F160 VanDerWaalsContact CD2-CE1 3.47Å; L85-F160 HydrophobicContact CD2-CG 3.9Å; L85-F160 HydrophobicContact CD2-CZ 4.27Å; L85-F160 HydrophobicContact CG-CD1 4.12Å; L85-F160 HydrophobicContact CG-CE1 3.84Å; L85-F160 HydrophobicContact CG-CZ 4.38Å
86	N	38.7	Very low	36.5	Very low	74 Å²	74	88.8 Å²	88.8	40%	0.396	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-35.7	177.7	-81.6	-29.7	0	0	0	111.9	V82 K83 C84 T89 K90	V82-N86 WeakPolarHBondContact O-CB 3.3Å; V82-N86 PolarHBondContact O-N 2.75Å; V82-N86 PolarHBondContact O-ND2 3.38Å; K83-N86 CarbonylContact O-C 3.59Å; K83-N86 PolarHBondContact O-N 2.92Å; C84-N86 VanDerWaalsContact C-N 3.34Å; C84-N86 PolarHBondContact O-N 3.13Å; N86-T89 WeakPolarHBondContact CA-OG1 3.28Å; N86-T89 PolarHBondContact O-OG1 3.22Å; N86-T89 VanDerWaalsContact O-OG1 3.11Å; N86-K90 VanDerWaalsContact O-CB 3.25Å; N86-K90 WeakPolarHBondContact O-CB 3.33Å; N86-K90 VanDerWaalsContact O-CG 3.25Å; N86-K90 WeakPolarHBondContact O-CG 3.28Å; N86-K90 PolarHBondContact O-N 3.49Å
87	S	35.9	Very low	35.8	Very low	63 Å²	63	87.4 Å²	87.4	44%	0.441	47%	0.466	S	S	.	.	H	α-helix	trans	-68.6	-51.5	177.4	-167.5	0	0	0	0	111.7	K83 C84 L85 T89 K90 N91	K83-S87 WeakPolarHBondContact O-CB 3.38Å; K83-S87 PolarHBondContact O-N 3.41Å; C84-S87 WeakPolarHBondContact O-CB 3.33Å; C84-S87 PolarHBondContact O-N 3.44Å; C84-S87 VanDerWaalsContact O-N 3.1Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.03Å; S87-T89 PolarHBondContact O-N 2.98Å; S87-K90 PolarHBondContact O-N 3.44Å; S87-N91 PolarHBondContact O-N 3.43Å
88	L	32.9	Very low	35.3	Very low	83 Å²	83	86.2 Å²	86.2	44%	0.435	46%	0.462	S	S	.	.	H	α-helix	trans	-53.3	-41.9	175	-73.9	170.4	0	0	0	110.9	C84 Q92	C84-L88 WeakPolarHBondContact O-CG 3.2Å; C84-L88 PolarHBondContact O-N 3.18Å; L88-Q92 WeakPolarHBondContact O-CG 3.44Å
89	T	34.2	Very low	35	Very low	5 Å²	5	90.3 Å²	90.3	3%	0.031	48%	0.481	C	S	.	.	H	α-helix	trans	-85.9	-18.2	-174.1	61.2	0	0	0	0	115.4	L85 N86 S87 R167 K171	L85-T89 VanDerWaalsContact O-CB 3.26Å; L85-T89 WeakPolarHBondContact O-CB 3.28Å; L85-T89 WeakPolarHBondContact O-CG2 3Å; L85-T89 PolarHBondContact O-N 3.48Å; L85-T89 PolarHBondContact O-OG1 2.87Å; N86-T89 WeakPolarHBondContact CA-OG1 3.28Å; N86-T89 PolarHBondContact O-OG1 3.22Å; N86-T89 VanDerWaalsContact O-OG1 3.11Å; S87-T89 PolarHBondContact O-N 2.98Å; T89-R167 VanDerWaalsContact OG1-CZ 3.24Å; T89-R167 PolarHBondContact OG1-NH1 3.28Å; T89-R167 PolarHBondContact OG1-NH2 3.08Å; T89-R167 VanDerWaalsContact OG1-NH2 3.08Å; T89-K171 PolarHBondContact O-NZ 3.02Å
90	K	33.4	Very low	34.6	Very low	170 Å²	170	94.2 Å²	94.2	74%	0.739	49%	0.493	S	S	*	.	H	α-helix	trans	-82.4	-35	170.9	-81.2	-178.7	177.8	-177.2	0	112	N86 S87	N86-K90 VanDerWaalsContact O-CB 3.25Å; N86-K90 WeakPolarHBondContact O-CB 3.33Å; N86-K90 VanDerWaalsContact O-CG 3.25Å; N86-K90 WeakPolarHBondContact O-CG 3.28Å; N86-K90 PolarHBondContact O-N 3.49Å; S87-K90 PolarHBondContact O-N 3.44Å
91	N	27.9	Very low	34.1	Very low	122 Å²	122	93.3 Å²	93.3	65%	0.652	49%	0.489	S	S	*	.	H	α-helix	trans	-87.4	-1.5	-176.3	-74.1	-13.7	0	0	0	114.9	S87 S93	S87-N91 PolarHBondContact O-N 3.43Å; N91-S93 VanDerWaalsContact C-N 3.33Å; N91-S93 PolarHBondContact O-N 2.89Å
92	Q	33	Very low	33.8	Very low	53 Å²	53	94.2 Å²	94.2	25%	0.248	49%	0.493	C	S	.	.			trans	-90.6	50.3	-177.8	-80.3	175.9	4.7	0	0	114.5	L88 G94 Y95	L88-Q92 WeakPolarHBondContact O-CG 3.44Å; Q92-G94 PolarHBondContact O-N 3.08Å; Q92-G94 VanDerWaalsContact O-N 3.15Å; Q92-Y95 HydrophobicContact CG-CD2 4.05Å
93	S	29	Very low	33.6	Very low	120 Å²	120	97.4 Å²	97.4	84%	0.839	50%	0.501	S	S	*	.	S	Bend	trans	-76.7	81.3	151.9	49.7	0	0	0	0	108.4	N91	N91-S93 VanDerWaalsContact C-N 3.33Å; N91-S93 PolarHBondContact O-N 2.89Å
94	G	28.2	Very low	33.4	Very low	68 Å²	68	95.8 Å²	95.8	70%	0.701	50%	0.498	S	S	*	.	S	Bend	trans	140.5	-0.9	164.8	0	0	0	0	0	118.9	Q92 E96	Q92-G94 PolarHBondContact O-N 3.08Å; Q92-G94 VanDerWaalsContact O-N 3.15Å; G94-E96 PolarHBondContact O-N 2.93Å
95	Y	31.4	Very low	33.3	Very low	176 Å²	176	95.4 Å²	95.4	69%	0.69	49%	0.493	S	S	*	.			trans	-79	98.2	177.1	-85.3	-92	0	0	0	110.9	Q92 F97	Q92-Y95 HydrophobicContact CG-CD2 4.05Å; Y95-F97 VanDerWaalsContact C-N 3.28Å; Y95-F97 PolarHBondContact O-N 3.37Å
96	E	32.9	Very low	33.1	Very low	183 Å²	183	96.7 Å²	96.7	86%	0.855	50%	0.5	S	S	*	.			trans	-57.8	98.5	150.3	-75.4	-173	150.5	0	0	107	G94 S98	G94-E96 PolarHBondContact O-N 2.93Å; E96-S98 VanDerWaalsContact C-N 3.3Å; E96-S98 PolarHBondContact O-N 2.93Å
97	F	32.8	Very low	33	Very low	93 Å²	93	97 Å²	97	41%	0.408	51%	0.508	S	S	.	.			trans	-59.6	98.4	171.8	-159.2	-98.8	0	0	0	107.6	Y95 F102	Y95-F97 VanDerWaalsContact C-N 3.28Å; Y95-F97 PolarHBondContact O-N 3.37Å; F97-F102 HydrophobicContact CE1-CB 4.15Å
98	S	31.4	Very low	32.9	Very low	56 Å²	56	98.2 Å²	98.2	39%	0.392	51%	0.509	S	S	.	.			trans	-74.6	134.3	-177	81.8	0	0	0	0	107.3	E96 K100 E101	E96-S98 VanDerWaalsContact C-N 3.3Å; E96-S98 PolarHBondContact O-N 2.93Å; S98-K100 PolarHBondContact O-N 3.17Å; S98-K100 WeakPolarHBondContact OG-CB 3.37Å; S98-E101 PolarHBondContact O-N 3.18Å
99	I	32.6	Very low	32.7	Very low	116 Å²	116	96.3 Å²	96.3	60%	0.595	50%	0.499	S	S	*	.	H	α-helix	trans	-47.7	-20.7	174.7	-71.2	168.9	0	0	0	112.4	K103	I99-K103 HydrophobicContact CG2-CD 4.05Å; I99-K103 HydrophobicContact CG2-CG 4.26Å; I99-K103 WeakPolarHBondContact O-CB 3.26Å; I99-K103 WeakPolarHBondContact O-CG 3.16Å; I99-K103 PolarHBondContact O-N 2.8Å
100	K	33.1	Very low	32.4	Very low	143 Å²	143	99.1 Å²	99.1	62%	0.622	53%	0.529	S	S	*	.	H	α-helix	trans	-62.6	-47.3	176.2	-162.3	-179.4	175.1	-173	0	112.6	S98 F102 K103 D104	S98-K100 PolarHBondContact O-N 3.17Å; S98-K100 WeakPolarHBondContact OG-CB 3.37Å; K100-F102 VanDerWaalsContact C-N 3.34Å; K100-F102 PolarHBondContact O-N 3.43Å; K100-K103 CarbonylContact O-C 3.57Å; K100-K103 WeakPolarHBondContact O-CA 3.45Å; K100-K103 WeakPolarHBondContact O-CB 3.27Å; K100-K103 PolarHBondContact O-N 3.33Å; K100-K103 VanDerWaalsContact O-N 3.08Å; K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 2.96Å
101	E	32.9	Very low	32.4	Very low	90 Å²	90	94.6 Å²	94.6	42%	0.421	52%	0.519	S	S	.	.	H	α-helix	trans	-66.6	-36.4	-178.6	-70.3	174.3	153	0	0	111.8	S98 D104 V105	S98-E101 PolarHBondContact O-N 3.18Å; E101-D104 PolarHBondContact O-N 3.22Å; E101-V105 WeakPolarHBondContact O-CG2 3.49Å; E101-V105 PolarHBondContact O-N 3.28Å
102	F	32.8	Very low	32.3	Very low	94 Å²	94	96.8 Å²	96.8	41%	0.412	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-40.4	171.9	-172.1	-106.4	0	0	0	112.1	F97 K100 D104 V105 I106 T161	F97-F102 HydrophobicContact CE1-CB 4.15Å; K100-F102 VanDerWaalsContact C-N 3.34Å; K100-F102 PolarHBondContact O-N 3.43Å; F102-D104 VanDerWaalsContact C-N 3.34Å; F102-V105 PolarHBondContact O-N 2.9Å; F102-I106 HydrophobicContact CD1-CD1 3.71Å; F102-I106 HydrophobicContact CE1-CD1 3.26Å; F102-I106 HydrophobicContact CE1-CG1 4.28Å; F102-I106 HydrophobicContact CZ-CD1 3.78Å; F102-I106 WeakPolarHBondContact O-CG1 3.48Å; F102-I106 PolarHBondContact O-N 3.21Å; F102-T161 HydrophobicContact CD2-CG2 4.44Å; F102-T161 HydrophobicContact CE2-CG2 4.49Å
103	K	36.2	Very low	32.1	Very low	134 Å²	134	97.5 Å²	97.5	58%	0.583	54%	0.541	S	S	*	.	H	α-helix	trans	-67	-35	174.1	-78.8	-178.8	176.4	-173.5	0	112.2	I99 K100 I106 S107	I99-K103 HydrophobicContact CG2-CD 4.05Å; I99-K103 HydrophobicContact CG2-CG 4.26Å; I99-K103 WeakPolarHBondContact O-CB 3.26Å; I99-K103 WeakPolarHBondContact O-CG 3.16Å; I99-K103 PolarHBondContact O-N 2.8Å; K100-K103 CarbonylContact O-C 3.57Å; K100-K103 WeakPolarHBondContact O-CA 3.45Å; K100-K103 WeakPolarHBondContact O-CB 3.27Å; K100-K103 PolarHBondContact O-N 3.33Å; K100-K103 VanDerWaalsContact O-N 3.08Å; K103-I106 PolarHBondContact O-N 3.39Å; K103-S107 WeakPolarHBondContact O-CB 3.2Å; K103-S107 PolarHBondContact O-N 3.27Å
104	D	37.2	Very low	32	Very low	77 Å²	77	95 Å²	95	41%	0.412	52%	0.52	S	S	.	.	H	α-helix	trans	-67.7	-41.8	178.3	-66.2	-18.8	0	0	0	109.5	K100 E101 F102 I106 S107 D108	K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 2.96Å; E101-D104 PolarHBondContact O-N 3.22Å; F102-D104 VanDerWaalsContact C-N 3.34Å; D104-I106 PolarHBondContact O-N 3.29Å; D104-S107 PolarHBondContact O-N 2.84Å; D104-D108 WeakPolarHBondContact O-CB 3.29Å; D104-D108 PolarHBondContact O-N 3.33Å
105	V	35.4	Very low	32.1	Very low	64 Å²	64	98.3 Å²	98.3	39%	0.388	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-41.7	171.6	174	0	0	0	0	111.9	E101 F102 D108 I109	E101-V105 WeakPolarHBondContact O-CG2 3.49Å; E101-V105 PolarHBondContact O-N 3.28Å; F102-V105 PolarHBondContact O-N 2.9Å; V105-D108 PolarHBondContact O-N 2.78Å; V105-I109 HydrophobicContact CG1-CD1 4.43Å; V105-I109 VanDerWaalsContact O-CG1 3.27Å; V105-I109 WeakPolarHBondContact O-CG1 3.15Å; V105-I109 PolarHBondContact O-N 2.79Å
106	I	33.4	Very low	31.9	Very low	46 Å²	46	91.7 Å²	91.7	24%	0.236	51%	0.505	C	S	.	.	H	α-helix	trans	-66.5	-40	175	-71.5	179.2	0	0	0	111.8	F102 K103 D104 D108 I109 G110 V126	F102-I106 HydrophobicContact CD1-CD1 3.71Å; F102-I106 HydrophobicContact CE1-CD1 3.26Å; F102-I106 HydrophobicContact CE1-CG1 4.28Å; F102-I106 HydrophobicContact CZ-CD1 3.78Å; F102-I106 WeakPolarHBondContact O-CG1 3.48Å; F102-I106 PolarHBondContact O-N 3.21Å; K103-I106 PolarHBondContact O-N 3.39Å; D104-I106 PolarHBondContact O-N 3.29Å; I106-D108 VanDerWaalsContact C-N 3.34Å; I106-I109 WeakPolarHBondContact O-CB 3.45Å; I106-I109 PolarHBondContact O-N 3.1Å; I106-G110 PolarHBondContact O-N 3.11Å; I106-V126 HydrophobicContact CB-CG1 4.35Å; I106-V126 HydrophobicContact CD1-CG1 4.02Å; I106-V126 HydrophobicContact CG1-CG1 3.95Å; I106-V126 HydrophobicContact CG2-CG1 3.62Å
107	S	35.3	Very low	31.7	Very low	81 Å²	81	89.8 Å²	89.8	57%	0.566	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-38.8	178.6	-170.6	0	0	0	0	110.9	K103 D104 I109 G110 S111	K103-S107 WeakPolarHBondContact O-CB 3.2Å; K103-S107 PolarHBondContact O-N 3.27Å; D104-S107 PolarHBondContact O-N 2.84Å; S107-I109 VanDerWaalsContact C-N 3.32Å; S107-I109 PolarHBondContact O-N 3.1Å; S107-G110 WeakPolarHBondContact O-CA 3.21Å; S107-G110 PolarHBondContact O-N 3.41Å; S107-S111 PolarHBondContact O-N 3.01Å; S107-S111 VanDerWaalsContact O-N 3.16Å
108	D	33.9	Very low	31.6	Very low	89 Å²	89	93.9 Å²	93.9	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-35.1	173.4	-80.8	-12.8	0	0	0	111.6	D104 V105 I106 G110 S111 Y112	D104-D108 WeakPolarHBondContact O-CB 3.29Å; D104-D108 PolarHBondContact O-N 3.33Å; V105-D108 PolarHBondContact O-N 2.78Å; I106-D108 VanDerWaalsContact C-N 3.34Å; D108-G110 PolarHBondContact O-N 3.37Å; D108-S111 WeakPolarHBondContact CA-OG 3.37Å; D108-S111 PolarHBondContact O-N 3Å; D108-S111 VanDerWaalsContact O-N 3.12Å; D108-S111 PolarHBondContact O-OG 2.95Å; D108-Y112 WeakPolarHBondContact O-CD2 3.26Å
109	I	29.5	Very low	31.5	Very low	43 Å²	43	95.7 Å²	95.7	22%	0.221	53%	0.527	C	S	.	.	H	α-helix	trans	-60.1	-33	171.7	-69.1	163.8	0	0	0	111.3	V105 I106 S107	V105-I109 HydrophobicContact CG1-CD1 4.43Å; V105-I109 VanDerWaalsContact O-CG1 3.27Å; V105-I109 WeakPolarHBondContact O-CG1 3.15Å; V105-I109 PolarHBondContact O-N 2.79Å; I106-I109 WeakPolarHBondContact O-CB 3.45Å; I106-I109 PolarHBondContact O-N 3.1Å; S107-I109 VanDerWaalsContact C-N 3.32Å; S107-I109 PolarHBondContact O-N 3.1Å
110	G	28.3	Very low	31.2	Very low	63 Å²	63	91.8 Å²	91.8	65%	0.649	51%	0.509	S	S	*	.	H	α-helix	trans	-73.8	-28.7	175	0	0	0	0	0	114.7	I106 S107 D108	I106-G110 PolarHBondContact O-N 3.11Å; S107-G110 WeakPolarHBondContact O-CA 3.21Å; S107-G110 PolarHBondContact O-N 3.41Å; D108-G110 PolarHBondContact O-N 3.37Å
111	S	32.5	Very low	31.2	Very low	76 Å²	76	87.6 Å²	87.6	53%	0.531	50%	0.496	S	S	.	.	H	α-helix	trans	-80.7	-20.7	-172.9	68.1	0	0	0	0	114.2	S107 D108 G113	S107-S111 PolarHBondContact O-N 3.01Å; S107-S111 VanDerWaalsContact O-N 3.16Å; D108-S111 WeakPolarHBondContact CA-OG 3.37Å; D108-S111 PolarHBondContact O-N 3Å; D108-S111 VanDerWaalsContact O-N 3.12Å; D108-S111 PolarHBondContact O-OG 2.95Å; S111-G113 VanDerWaalsContact C-N 3.34Å; S111-G113 PolarHBondContact O-N 3.45Å
112	Y	26.5	Very low	31	Very low	168 Å²	168	85.4 Å²	85.4	66%	0.659	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	27.6	-176.9	-70.7	-74.4	0	0	0	115.1	D108 T114	D108-Y112 WeakPolarHBondContact O-CD2 3.26Å; Y112-T114 PolarHBondContact O-N 3.22Å; Y112-T114 PolarHBondContact O-OG1 3.38Å
113	G	27.6	Very low	30.9	Very low	68 Å²	68	85.5 Å²	85.5	70%	0.701	48%	0.484	S	S	*	.			trans	59.7	14.4	167.9	0	0	0	0	0	115.6	S111 T115	S111-G113 VanDerWaalsContact C-N 3.34Å; S111-G113 PolarHBondContact O-N 3.45Å; G113-T115 PolarHBondContact O-N 2.96Å
114	T	27.1	Very low	30.7	Very low	66 Å²	66	83.4 Å²	83.4	41%	0.405	48%	0.477	S	S	.	.			trans	-80.2	108.8	-175.5	-18.2	0	0	0	0	107.7	Y112 V116	Y112-T114 PolarHBondContact O-N 3.22Å; Y112-T114 PolarHBondContact O-OG1 3.38Å; T114-V116 PolarHBondContact O-N 2.93Å
115	T	30.3	Very low	30.4	Very low	138 Å²	138	80.9 Å²	80.9	85%	0.847	47%	0.465	S	S	*	.			trans	-72.4	81.4	176.8	-34.7	0	0	0	0	108.7	G113 Q117	G113-T115 PolarHBondContact O-N 2.96Å; T115-Q117 PolarHBondContact O-N 3.41Å
116	V	27.8	Very low	30.3	Very low	38 Å²	38	79.3 Å²	79.3	23%	0.23	46%	0.455	C	S	.	.			trans	-62.2	108.3	172.1	-174.5	0	0	0	0	106.7	T114 K118 S120 R123	T114-V116 PolarHBondContact O-N 2.93Å; V116-K118 PolarHBondContact O-N 2.92Å; V116-S120 WeakPolarHBondContact CG1-OG 3.17Å; V116-R123 HydrophobicContact CG1-CB 3.82Å; V116-R123 PolarHBondContact O-NH1 3.2Å
117	Q	28.2	Very low	30.3	Very low	143 Å²	143	81.7 Å²	81.7	67%	0.668	47%	0.468	S	S	*	.			trans	-48.7	134.1	179.3	-74	-173.6	-6.9	0	0	108.6	T115 S119 S120	T115-Q117 PolarHBondContact O-N 3.41Å; Q117-S119 PolarHBondContact O-N 3.41Å; Q117-S120 PolarHBondContact O-N 2.78Å; Q117-S120 PolarHBondContact O-OG 3.38Å
118	K	32.3	Very low	30.2	Very low	179 Å²	179	80.6 Å²	80.6	78%	0.778	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.1	-176.6	-80.4	-176.8	177.2	-179.4	0	112.7	V116	V116-K118 PolarHBondContact O-N 2.92Å
119	S	28.3	Very low	30.1	Very low	94 Å²	94	84.5 Å²	84.5	66%	0.657	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	4.9	-179.4	55.7	0	0	0	0	115.1	Q117	Q117-S119 PolarHBondContact O-N 3.41Å
120	S	27.1	Very low	30.1	Very low	33 Å²	33	83.9 Å²	83.9	23%	0.231	48%	0.482	C	S	.	.			trans	-82.6	132.7	178.5	85.1	0	0	0	0	110.6	V116 Q117 L122 R123 E124	V116-S120 WeakPolarHBondContact CG1-OG 3.17Å; Q117-S120 PolarHBondContact O-N 2.78Å; Q117-S120 PolarHBondContact O-OG 3.38Å; S120-L122 PolarHBondContact O-N 3.49Å; S120-L122 VanDerWaalsContact O-N 3.1Å; S120-R123 WeakPolarHBondContact O-CB 3.49Å; S120-R123 PolarHBondContact O-N 3.37Å; S120-E124 PolarHBondContact O-N 3.33Å
121	T	31.7	Very low	30.3	Very low	55 Å²	55	85.2 Å²	85.2	34%	0.337	48%	0.479	S	S	.	.	H	α-helix	trans	-52.8	-30.6	174.2	34.5	0	0	0	0	112	R123 E124 C125 Q140	T121-R123 VanDerWaalsContact C-N 3.3Å; T121-R123 PolarHBondContact O-N 2.86Å; T121-E124 PolarHBondContact O-N 2.98Å; T121-C125 WeakPolarHBondContact O-CB 3.46Å; T121-C125 PolarHBondContact O-N 3.15Å; T121-C125 PolarHBondContact O-SG 2.94Å; T121-Q140 WeakPolarHBondContact CG2-O 3.47Å
122	L	29.8	Very low	30.3	Very low	44 Å²	44	89.8 Å²	89.8	23%	0.23	49%	0.49	C	S	.	.	H	α-helix	trans	-58.3	-40	174.3	-167.8	74.8	0	0	0	112.3	S120 C125 V126 L158	S120-L122 PolarHBondContact O-N 3.49Å; S120-L122 VanDerWaalsContact O-N 3.1Å; L122-C125 PolarHBondContact O-N 3.31Å; L122-V126 WeakPolarHBondContact O-CB 3.43Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.28Å; L122-V126 PolarHBondContact O-N 2.64Å; L122-L158 HydrophobicContact CD1-CD1 4.04Å
123	R	30.4	Very low	30.5	Very low	96 Å²	96	87.6 Å²	87.6	36%	0.362	48%	0.484	S	S	.	.	H	α-helix	trans	-69.4	-38.6	177.3	-166.7	170.7	-179.9	158.2	0.1	111.7	V116 S120 T121 V126 N127	V116-R123 HydrophobicContact CG1-CB 3.82Å; V116-R123 PolarHBondContact O-NH1 3.2Å; S120-R123 WeakPolarHBondContact O-CB 3.49Å; S120-R123 PolarHBondContact O-N 3.37Å; T121-R123 VanDerWaalsContact C-N 3.3Å; T121-R123 PolarHBondContact O-N 2.86Å; R123-V126 PolarHBondContact O-N 3.29Å; R123-N127 VanDerWaalsContact O-CB 3.25Å; R123-N127 WeakPolarHBondContact O-CB 3.42Å; R123-N127 PolarHBondContact O-N 2.87Å
124	E	32.5	Very low	30.6	Very low	91 Å²	91	86.4 Å²	86.4	43%	0.425	47%	0.465	S	S	.	.	H	α-helix	trans	-65.3	-40	174.2	-61.3	177.5	170.8	0	0	111.3	S120 T121 I130	S120-E124 PolarHBondContact O-N 3.33Å; T121-E124 PolarHBondContact O-N 2.98Å; E124-I130 HydrophobicContact CB-CD1 3.84Å; E124-I130 HydrophobicContact CB-CG1 4.27Å
125	C	30.1	Very low	30.7	Very low	24 Å²	24	85.3 Å²	85.3	16%	0.162	46%	0.458	C	S	.	.	H	α-helix	trans	-67.6	-33.5	176.2	-51.4	0	0	0	0	111.3	T121 L122 C141	T121-C125 WeakPolarHBondContact O-CB 3.46Å; T121-C125 PolarHBondContact O-N 3.15Å; T121-C125 PolarHBondContact O-SG 2.94Å; L122-C125 PolarHBondContact O-N 3.31Å; C125-C141 WeakPolarHBondContact CB-SG 3.21Å; C125-C141 WeakPolarHBondContact SG-CB 3.27Å; C125-C141 CovalentContact SG-SG 2.09Å; C125-C141 PolarHBondContact SG-SG 3.13Å
126	V	33.1	Very low	30.8	Very low	31 Å²	31	80.4 Å²	80.4	19%	0.188	43%	0.426	C	S	.	.	H	α-helix	trans	-84.4	-40.9	-179.6	169.5	0	0	0	0	113.6	I106 L122 R123 G128	I106-V126 HydrophobicContact CB-CG1 4.35Å; I106-V126 HydrophobicContact CD1-CG1 4.02Å; I106-V126 HydrophobicContact CG1-CG1 3.95Å; I106-V126 HydrophobicContact CG2-CG1 3.62Å; L122-V126 WeakPolarHBondContact O-CB 3.43Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.28Å; L122-V126 PolarHBondContact O-N 2.64Å; R123-V126 PolarHBondContact O-N 3.29Å; V126-G128 PolarHBondContact O-N 3.35Å; V126-G128 VanDerWaalsContact O-N 3.12Å
127	N	34.4	Very low	31	Very low	95 Å²	95	82 Å²	82	51%	0.508	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	3.3	-175.3	-79.4	-7.7	0	0	0	114	R123 E129	R123-N127 VanDerWaalsContact O-CB 3.25Å; R123-N127 WeakPolarHBondContact O-CB 3.42Å; R123-N127 PolarHBondContact O-N 2.87Å; N127-E129 PolarHBondContact O-N 3.4Å; N127-E129 VanDerWaalsContact O-N 3.12Å
128	G	32.6	Very low	31.2	Very low	59 Å²	59	76.2 Å²	76.2	61%	0.608	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	11.3	169	0	0	0	0	0	115	V126 I130	V126-G128 PolarHBondContact O-N 3.35Å; V126-G128 VanDerWaalsContact O-N 3.12Å; G128-I130 PolarHBondContact O-N 3.49Å
129	E	31.6	Very low	31.5	Very low	171 Å²	171	74.2 Å²	74.2	80%	0.799	42%	0.417	S	S	*	.			trans	-72.4	-17.6	170.5	-69.8	-172.7	175.1	0	0	111.7	N127	N127-E129 PolarHBondContact O-N 3.4Å; N127-E129 VanDerWaalsContact O-N 3.12Å
130	I	30.2	Very low	31.8	Very low	29 Å²	29	76.4 Å²	76.4	15%	0.149	42%	0.417	C	S	.	.	S	Bend	trans	-86.3	123	170.3	-55.7	-178.9	0	0	0	108.6	E124 G128 K132 S134 V135	E124-I130 HydrophobicContact CB-CD1 3.84Å; E124-I130 HydrophobicContact CB-CG1 4.27Å; G128-I130 PolarHBondContact O-N 3.49Å; I130-K132 PolarHBondContact O-N 2.86Å; I130-S134 WeakPolarHBondContact CG2-OG 3.46Å; I130-V135 HydrophobicContact CB-CG2 4.04Å; I130-V135 HydrophobicContact CG2-CG2 3.89Å
131	P	31.7	Very low	32.1	Very low	91 Å²	91	76.2 Å²	76.2	59%	0.591	42%	0.416	S	S	*	.			trans	-48.5	135	171.9	-25.8	32	0	0	0	110.7	F133 S134	P131-F133 PolarHBondContact O-N 3.37Å; P131-S134 WeakPolarHBondContact CD-OG 3.43Å; P131-S134 PolarHBondContact O-N 2.98Å; P131-S134 PolarHBondContact O-OG 3.09Å
132	K	33.5	Very low	32.5	Very low	172 Å²	172	78.5 Å²	78.5	75%	0.748	43%	0.429	S	S	*	.	H	α-helix	trans	-46.3	-31.1	-173.2	-66.1	178.3	-179.7	177.5	0	114.6	I130 I136	I130-K132 PolarHBondContact O-N 2.86Å; K132-I136 WeakPolarHBondContact O-CG1 3.06Å
133	F	29.8	Very low	32.9	Very low	123 Å²	123	79 Å²	79	54%	0.539	43%	0.432	S	S	.	.	H	α-helix	trans	-73.3	-35.9	177.7	-81.2	-84	0	0	0	113.8	P131 V135 I136 T137	P131-F133 PolarHBondContact O-N 3.37Å; F133-V135 VanDerWaalsContact C-N 3.29Å; F133-V135 PolarHBondContact O-N 3.4Å; F133-I136 PolarHBondContact O-N 2.8Å; F133-I136 VanDerWaalsContact O-N 3.1Å; F133-T137 PolarHBondContact O-N 3.38Å; F133-T137 VanDerWaalsContact O-N 3.08Å; F133-T137 PolarHBondContact O-OG1 2.97Å; F133-T137 VanDerWaalsContact O-OG1 3.13Å
134	S	30.2	Very low	33.2	Very low	42 Å²	42	77.6 Å²	77.6	29%	0.294	44%	0.435	S	S	.	.	H	α-helix	trans	-71.5	-24.5	179.6	3	0	0	0	0	112.5	I130 P131 I136 G138	I130-S134 WeakPolarHBondContact CG2-OG 3.46Å; P131-S134 WeakPolarHBondContact CD-OG 3.43Å; P131-S134 PolarHBondContact O-N 2.98Å; P131-S134 PolarHBondContact O-OG 3.09Å; S134-I136 VanDerWaalsContact C-N 3.27Å; S134-I136 PolarHBondContact O-N 3.05Å; S134-G138 VanDerWaalsContact O-CA 3.28Å; S134-G138 WeakPolarHBondContact O-CA 3.15Å; S134-G138 PolarHBondContact O-N 3.47Å
135	V	30.1	Very low	33.7	Very low	43 Å²	43	79.9 Å²	79.9	26%	0.261	45%	0.445	S	S	.	.	H	α-helix	trans	-65.1	-33.2	169.8	-178.9	0	0	0	0	111.6	I130 F133 K162	I130-V135 HydrophobicContact CB-CG2 4.04Å; I130-V135 HydrophobicContact CG2-CG2 3.89Å; F133-V135 VanDerWaalsContact C-N 3.29Å; F133-V135 PolarHBondContact O-N 3.4Å; V135-K162 PolarHBondContact O-NZ 2.93Å
136	I	31.6	Very low	34.1	Very low	35 Å²	35	79.4 Å²	79.4	18%	0.179	44%	0.442	C	S	.	.	H	α-helix	trans	-82.2	-45.9	-175.5	-60.8	171.3	0	0	0	110.7	L53 K132 F133 S134 K162 I165 V166	L53-I136 HydrophobicContact CD2-CG2 3.81Å; K132-I136 WeakPolarHBondContact O-CG1 3.06Å; F133-I136 PolarHBondContact O-N 2.8Å; F133-I136 VanDerWaalsContact O-N 3.1Å; S134-I136 VanDerWaalsContact C-N 3.27Å; S134-I136 PolarHBondContact O-N 3.05Å; I136-K162 WeakPolarHBondContact O-CE 3.24Å; I136-I165 HydrophobicContact CD1-CG2 4.06Å; I136-I165 HydrophobicContact CG1-CG2 4.49Å; I136-V166 HydrophobicContact CG2-CG2 4.14Å
137	T	32.2	Very low	34.6	Very low	73 Å²	73	86.5 Å²	86.5	45%	0.448	47%	0.473	S	S	.	.	H	α-helix	trans	-104.8	-10.5	-171.9	59.6	0	0	0	0	115	F133 T139	F133-T137 PolarHBondContact O-N 3.38Å; F133-T137 VanDerWaalsContact O-N 3.08Å; F133-T137 PolarHBondContact O-OG1 2.97Å; F133-T137 VanDerWaalsContact O-OG1 3.13Å; T137-T139 PolarHBondContact O-N 3.38Å
138	G	31.9	Very low	35	Very low	20 Å²	20	85.4 Å²	85.4	21%	0.206	47%	0.47	C	S	.	.			trans	-75.1	127.2	-175.3	0	0	0	0	0	112.8	S134 Q140	S134-G138 VanDerWaalsContact O-CA 3.28Å; S134-G138 WeakPolarHBondContact O-CA 3.15Å; S134-G138 PolarHBondContact O-N 3.47Å; G138-Q140 PolarHBondContact O-N 2.86Å
139	T	38.5	Very low	35.3	Very low	137 Å²	137	89.1 Å²	89.1	84%	0.84	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-3.5	161.6	42	0	0	0	0	113.4	T137	T137-T139 PolarHBondContact O-N 3.38Å
140	Q	33.7	Very low	35.9	Very low	140 Å²	140	83.7 Å²	83.7	65%	0.654	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-24.4	-175.6	-69.4	178.8	-20.4	0	0	114.4	T121 G138 V142	T121-Q140 WeakPolarHBondContact CG2-O 3.47Å; G138-Q140 PolarHBondContact O-N 2.86Å; Q140-V142 VanDerWaalsContact C-N 3.32Å; Q140-V142 PolarHBondContact O-N 3.25Å; Q140-V142 VanDerWaalsContact O-N 3.08Å
141	C	33.7	Very low	36.4	Very low	29 Å²	29	84.3 Å²	84.3	20%	0.196	46%	0.459	C	S	.	.			trans	-85.8	77.2	171.8	-61.1	0	0	0	0	108.6	C125 I143	C125-C141 WeakPolarHBondContact CB-SG 3.21Å; C125-C141 WeakPolarHBondContact SG-CB 3.27Å; C125-C141 CovalentContact SG-SG 2.09Å; C125-C141 PolarHBondContact SG-SG 3.13Å; C141-I143 PolarHBondContact O-N 2.65Å
142	V	39.8	Very low	36.8	Very low	104 Å²	104	81 Å²	81	63%	0.63	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-74.8	119.5	164.6	-179.2	0	0	0	0	107.5	Q140 P144	Q140-V142 VanDerWaalsContact C-N 3.32Å; Q140-V142 PolarHBondContact O-N 3.25Å; Q140-V142 VanDerWaalsContact O-N 3.08Å; V142-P144 WeakPolarHBondContact O-CD 3.48Å
143	I	39.7	Very low	37.2	Very low	55 Å²	55	79.6 Å²	79.6	28%	0.282	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-64.2	119.3	176.9	-60.7	-166.7	0	0	0	107.7	C141 L155 T159	C141-I143 PolarHBondContact O-N 2.65Å; I143-L155 HydrophobicContact CG2-CB 3.9Å; I143-L155 HydrophobicContact CG2-CD1 3.88Å; I143-L155 HydrophobicContact CG2-CD2 3.3Å; I143-L155 HydrophobicContact CG2-CG 3.84Å; I143-T159 WeakPolarHBondContact CD1-OG1 2.99Å
144	P	37.1	Very low	37.9	Very low	65 Å²	65	77.2 Å²	77.2	42%	0.422	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-63.6	149.7	-179.9	25.4	-32.8	0	0	0	110.4	V142 L155	V142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-L155 HydrophobicContact CG-CD2 4.14Å; P144-L155 WeakPolarHBondContact O-CD1 3.44Å
145	E	41.3	Very low	38.6	Very low	139 Å²	139	76 Å²	76	65%	0.65	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-66.4	127.5	-177.3	-153.8	176.8	-168.8	0	0	110.5	K70 Q147	K70-E145 VanDerWaalsContact NZ-CG 3.27Å; K70-E145 IonicContact NZ-OE1 2.8Å; K70-E145 PolarHBondContact NZ-OE1 2.84Å; K70-E145 IonicContact NZ-OE2 3.57Å; E145-Q147 PolarHBondContact O-N 3.23Å
146	P	39.2	Very low	39.3	Very low	15 Å²	15	75.2 Å²	75.2	10%	0.097	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-63.7	128	-179.7	19.4	-28.6	0	0	0	111.1	F71 D151 M152 L155	F71-P146 HydrophobicContact CE2-CB 4.14Å; F71-P146 HydrophobicContact CE2-CG 3.43Å; F71-P146 VanDerWaalsContact CE2-CG 3.43Å; F71-P146 HydrophobicContact CZ-CB 3.89Å; F71-P146 HydrophobicContact CZ-CG 3.58Å; P146-D151 HydrophobicContact CB-CB 4.11Å; P146-M152 HydrophobicContact CB-CB 4.31Å; P146-L155 HydrophobicContact CB-CD1 3.76Å; P146-L155 HydrophobicContact CG-CD1 3.98Å
147	Q	44.1	Very low	39.9	Very low	180 Å²	180	76.9 Å²	76.9	84%	0.841	42%	0.416	S	S	*	.			trans	-97.4	-28	176	-63.5	-168.7	-3.4	0	0	112.2	E145 D151	E145-Q147 PolarHBondContact O-N 3.23Å; Q147-D151 PolarHBondContact N-OD2 2.91Å
148	T	42.4	Very low	40.6	Very low	71 Å²	71	76.6 Å²	76.6	44%	0.436	41%	0.411	S	S	.	.	S	Bend	trans	-127.2	161.6	178.6	69.6	0	0	0	0	111.8	A150 D151 M152	T148-A150 PolarHBondContact O-N 3.37Å; T148-D151 WeakPolarHBondContact CB-OD2 3.49Å; T148-D151 PolarHBondContact N-OD2 3.41Å; T148-D151 WeakPolarHBondContact O-CB 3.48Å; T148-D151 PolarHBondContact O-N 2.83Å; T148-D151 VanDerWaalsContact O-N 3.09Å; T148-D151 PolarHBondContact OG1-N 3.4Å; T148-D151 VanDerWaalsContact OG1-N 3.16Å; T148-D151 PolarHBondContact OG1-OD2 2.78Å; T148-M152 PolarHBondContact O-N 3.49Å
149	H	39.7	Very low	41.3	Very low	138 Å²	138	76 Å²	76	64%	0.639	40%	0.404	S	S	*	.	H	α-helix	trans	-58.8	-33.2	173.3	-77.2	-142	0	0	0	111.9	M152 F153	H149-M152 VanDerWaalsContact O-CB 3.31Å; H149-M152 WeakPolarHBondContact O-CB 3.44Å; H149-M152 PolarHBondContact O-N 2.77Å; H149-F153 WeakPolarHBondContact O-CD2 3.44Å; H149-F153 PolarHBondContact O-N 3.19Å; H149-F153 VanDerWaalsContact O-N 3.07Å
150	A	43.5	Very low	41.7	Very low	57 Å²	57	70.4 Å²	70.4	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-40.4	174.9	0	0	0	0	0	111.7	T148 M152 F153 K154	T148-A150 PolarHBondContact O-N 3.37Å; A150-M152 VanDerWaalsContact C-N 3.28Å; A150-M152 PolarHBondContact O-N 3.39Å; A150-F153 PolarHBondContact O-N 2.94Å; A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.31Å; A150-K154 PolarHBondContact O-N 3.45Å
151	D	39.6	Very low	42.3	Very low	42 Å²	42	65.1 Å²	65.1	23%	0.225	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-39.3	173.3	-56.7	-38.5	0	0	0	110.8	P146 Q147 T148 K154 L155	P146-D151 HydrophobicContact CB-CB 4.11Å; Q147-D151 PolarHBondContact N-OD2 2.91Å; T148-D151 WeakPolarHBondContact CB-OD2 3.49Å; T148-D151 PolarHBondContact N-OD2 3.41Å; T148-D151 WeakPolarHBondContact O-CB 3.48Å; T148-D151 PolarHBondContact O-N 2.83Å; T148-D151 VanDerWaalsContact O-N 3.09Å; T148-D151 PolarHBondContact OG1-N 3.4Å; T148-D151 VanDerWaalsContact OG1-N 3.16Å; T148-D151 PolarHBondContact OG1-OD2 2.78Å; D151-K154 PolarHBondContact O-N 3.38Å; D151-L155 VanDerWaalsContact O-CG 3.24Å; D151-L155 WeakPolarHBondContact O-CG 3.46Å; D151-L155 PolarHBondContact O-N 2.85Å
152	M	41.5	Very low	42.9	Very low	20 Å²	20	66.1 Å²	66.1	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-56.8	-54.4	175	-169.8	-160.3	-47.8	0	0	111	V67 F71 I73 P146 T148 H149 A150 K154 L155 L156	V67-M152 HydrophobicContact CG1-CG 3.81Å; V67-M152 HydrophobicContact CG1-SD 4.24Å; F71-M152 HydrophobicContact CB-CE 3.75Å; F71-M152 HydrophobicContact CB-SD 4.5Å; F71-M152 HydrophobicContact CD1-CE 3.32Å; F71-M152 HydrophobicContact CD2-CE 3.45Å; F71-M152 VanDerWaalsContact CD2-CE 3.45Å; F71-M152 HydrophobicContact CD2-CG 4.29Å; F71-M152 HydrophobicContact CD2-SD 4.05Å; F71-M152 HydrophobicContact CE1-CE 3.68Å; F71-M152 HydrophobicContact CE2-CE 3.81Å; F71-M152 HydrophobicContact CE2-CG 4.23Å; F71-M152 HydrophobicContact CG-CE 3.19Å; F71-M152 HydrophobicContact CG-SD 4.22Å; F71-M152 HydrophobicContact CZ-CE 3.91Å; I73-M152 HydrophobicContact CD1-SD 3.82Å; P146-M152 HydrophobicContact CB-CB 4.31Å; T148-M152 PolarHBondContact O-N 3.49Å; H149-M152 VanDerWaalsContact O-CB 3.31Å; H149-M152 WeakPolarHBondContact O-CB 3.44Å; H149-M152 PolarHBondContact O-N 2.77Å; A150-M152 VanDerWaalsContact C-N 3.28Å; A150-M152 PolarHBondContact O-N 3.39Å; M152-K154 VanDerWaalsContact C-N 3.27Å; M152-K154 PolarHBondContact O-N 3.18Å; M152-L155 PolarHBondContact O-N 2.76Å; M152-L156 VanDerWaalsContact O-CB 3.27Å; M152-L156 WeakPolarHBondContact O-CB 3.19Å; M152-L156 PolarHBondContact O-N 2.8Å
153	F	42.3	Very low	43.1	Very low	143 Å²	143	63.1 Å²	63.1	63%	0.627	32%	0.324	S	S	*	.	H	α-helix	trans	-57.3	-40.9	178.2	-87.6	-77.1	0	0	0	112	H149 A150 L156 T157	H149-F153 WeakPolarHBondContact O-CD2 3.44Å; H149-F153 PolarHBondContact O-N 3.19Å; H149-F153 VanDerWaalsContact O-N 3.07Å; A150-F153 PolarHBondContact O-N 2.94Å; F153-L156 PolarHBondContact O-N 3.05Å; F153-T157 WeakPolarHBondContact O-CB 3.39Å; F153-T157 PolarHBondContact O-N 3.46Å; F153-T157 PolarHBondContact O-OG1 3.37Å
154	K	44.6	Very low	43.5	Very low	73 Å²	73	61.9 Å²	61.9	32%	0.317	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-49	177.5	-71.8	172.7	-178.2	-180	0	112.1	A150 D151 M152 L156 T157 L158	A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.31Å; A150-K154 PolarHBondContact O-N 3.45Å; D151-K154 PolarHBondContact O-N 3.38Å; M152-K154 VanDerWaalsContact C-N 3.27Å; M152-K154 PolarHBondContact O-N 3.18Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-L156 PolarHBondContact O-N 3.3Å; K154-T157 PolarHBondContact O-N 2.99Å; K154-L158 WeakPolarHBondContact O-CB 3.45Å; K154-L158 PolarHBondContact O-N 2.92Å
155	L	43.9	Very low	43.9	Very low	17 Å²	17	62 Å²	62	9%	0.089	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-36.3	179.7	-63.3	170.5	0	0	0	111.3	I143 P144 P146 D151 M152 L158 T159	I143-L155 HydrophobicContact CG2-CB 3.9Å; I143-L155 HydrophobicContact CG2-CD1 3.88Å; I143-L155 HydrophobicContact CG2-CD2 3.3Å; I143-L155 HydrophobicContact CG2-CG 3.84Å; P144-L155 HydrophobicContact CG-CD2 4.14Å; P144-L155 WeakPolarHBondContact O-CD1 3.44Å; P146-L155 HydrophobicContact CB-CD1 3.76Å; P146-L155 HydrophobicContact CG-CD1 3.98Å; D151-L155 VanDerWaalsContact O-CG 3.24Å; D151-L155 WeakPolarHBondContact O-CG 3.46Å; D151-L155 PolarHBondContact O-N 2.85Å; M152-L155 PolarHBondContact O-N 2.76Å; L155-L158 PolarHBondContact O-N 2.99Å; L155-T159 VanDerWaalsContact O-CB 3.27Å; L155-T159 WeakPolarHBondContact O-CB 3.49Å; L155-T159 PolarHBondContact O-N 3.25Å; L155-T159 PolarHBondContact O-OG1 3.42Å
156	L	44	Very low	44.1	Very low	26 Å²	26	55.5 Å²	55.5	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-52.1	174.4	-142.3	103.2	0	0	0	109.7	V67 F81 M152 F153 K154 L158 T159 F160	V67-L156 HydrophobicContact CG1-CD1 4.04Å; F81-L156 HydrophobicContact CD2-CD2 3.93Å; F81-L156 HydrophobicContact CE1-CD2 4.05Å; F81-L156 HydrophobicContact CE2-CD2 3.29Å; F81-L156 HydrophobicContact CZ-CD2 3.38Å; M152-L156 VanDerWaalsContact O-CB 3.27Å; M152-L156 WeakPolarHBondContact O-CB 3.19Å; M152-L156 PolarHBondContact O-N 2.8Å; F153-L156 PolarHBondContact O-N 3.05Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-L156 PolarHBondContact O-N 3.3Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 3.18Å; L156-T159 WeakPolarHBondContact O-CB 3.41Å; L156-T159 PolarHBondContact O-N 2.98Å; L156-F160 HydrophobicContact CB-CD2 4.47Å; L156-F160 HydrophobicContact CD2-CD2 3.91Å; L156-F160 HydrophobicContact CD2-CE2 3.48Å; L156-F160 VanDerWaalsContact CD2-CE2 3.48Å; L156-F160 HydrophobicContact CG-CD2 3.94Å; L156-F160 HydrophobicContact CG-CE2 3.54Å; L156-F160 WeakPolarHBondContact O-CB 3.14Å; L156-F160 WeakPolarHBondContact O-CD2 3.46Å; L156-F160 PolarHBondContact O-N 3.38Å
157	T	46	Very low	44.3	Very low	70 Å²	70	57.1 Å²	57.1	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-55.7	-46.8	175.8	-61.4	0	0	0	0	111.6	F153 K154 T159 F160 T161	F153-T157 WeakPolarHBondContact O-CB 3.39Å; F153-T157 PolarHBondContact O-N 3.46Å; F153-T157 PolarHBondContact O-OG1 3.37Å; K154-T157 PolarHBondContact O-N 2.99Å; T157-T159 PolarHBondContact O-N 3.49Å; T157-F160 CarbonylContact O-C 3.58Å; T157-F160 PolarHBondContact O-N 3.08Å; T157-T161 PolarHBondContact O-N 3.34Å; T157-T161 PolarHBondContact O-OG1 3.43Å
158	L	46.4	Very low	44.5	Very low	67 Å²	67	51.6 Å²	51.6	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-43.8	178.8	-121.3	139	0	0	0	112.5	L122 K154 L155 L156 F160 T161 K162	L122-L158 HydrophobicContact CD1-CD1 4.04Å; K154-L158 WeakPolarHBondContact O-CB 3.45Å; K154-L158 PolarHBondContact O-N 2.92Å; L155-L158 PolarHBondContact O-N 2.99Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 3.18Å; L158-F160 VanDerWaalsContact C-N 3.28Å; L158-F160 PolarHBondContact O-N 3.39Å; L158-T161 PolarHBondContact O-N 3.21Å; L158-K162 WeakPolarHBondContact O-CB 3.46Å; L158-K162 PolarHBondContact O-N 2.91Å
159	T	46.1	Very low	44.6	Very low	9 Å²	9	50.2 Å²	50.2	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-41	174.8	-55.9	0	0	0	0	110.2	L60 I64 I143 L155 L156 T157 K162 Y163	L60-T159 HydrophobicContact CB-CG2 4.34Å; L60-T159 HydrophobicContact CD2-CG2 3.62Å; I64-T159 HydrophobicContact CD1-CG2 4.16Å; I64-T159 HydrophobicContact CG1-CG2 3.9Å; I143-T159 WeakPolarHBondContact CD1-OG1 2.99Å; L155-T159 VanDerWaalsContact O-CB 3.27Å; L155-T159 WeakPolarHBondContact O-CB 3.49Å; L155-T159 PolarHBondContact O-N 3.25Å; L155-T159 PolarHBondContact O-OG1 3.42Å; L156-T159 WeakPolarHBondContact O-CB 3.41Å; L156-T159 PolarHBondContact O-N 2.98Å; T157-T159 PolarHBondContact O-N 3.49Å; T159-K162 PolarHBondContact O-N 3.23Å; T159-Y163 WeakPolarHBondContact O-CB 3.35Å; T159-Y163 PolarHBondContact O-N 3.01Å
160	F	46.1	Very low	44.7	Very low	19 Å²	19	44.3 Å²	44.3	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-70.7	-42.4	177.8	-80.5	-57	0	0	0	113.5	I64 F81 L85 L156 T157 L158 K162 Y163 E164	I64-F160 HydrophobicContact CD1-CE1 3.85Å; I64-F160 HydrophobicContact CD1-CZ 3.68Å; I64-F160 HydrophobicContact CG1-CZ 4.29Å; F81-F160 HydrophobicContact CD1-CE1 4.43Å; F81-F160 AromaticContact CD1-CE2 3.74Å; F81-F160 HydrophobicContact CD1-CE2 3.74Å; F81-F160 AromaticContact CD1-CZ 3.66Å; F81-F160 HydrophobicContact CD1-CZ 3.66Å; F81-F160 HydrophobicContact CE1-CD1 4.13Å; F81-F160 AromaticContact CE1-CD2 3.38Å; F81-F160 HydrophobicContact CE1-CD2 3.38Å; F81-F160 AromaticContact CE1-CE1 3.73Å; F81-F160 HydrophobicContact CE1-CE1 3.73Å; F81-F160 AromaticContact CE1-CE2 2.86Å; F81-F160 HydrophobicContact CE1-CE2 2.86Å; F81-F160 HydrophobicContact CE1-CG 4.02Å; F81-F160 AromaticContact CE1-CZ 3.08Å; F81-F160 HydrophobicContact CE1-CZ 3.08Å; F81-F160 HydrophobicContact CE2-CE2 4.3Å; F81-F160 AromaticContact CZ-CD2 3.35Å; F81-F160 HydrophobicContact CZ-CD2 3.35Å; F81-F160 AromaticContact CZ-CE2 3.2Å; F81-F160 HydrophobicContact CZ-CE2 3.2Å; F81-F160 HydrophobicContact CZ-CG 4.19Å; F81-F160 AromaticContact CZ-CZ 3.93Å; F81-F160 HydrophobicContact CZ-CZ 3.93Å; L85-F160 HydrophobicContact CD1-CD1 3.85Å; L85-F160 HydrophobicContact CD1-CE1 3.09Å; L85-F160 HydrophobicContact CD1-CZ 3.57Å; L85-F160 HydrophobicContact CD2-CD1 3.22Å; L85-F160 HydrophobicContact CD2-CE1 3.47Å; L85-F160 VanDerWaalsContact CD2-CE1 3.47Å; L85-F160 HydrophobicContact CD2-CG 3.9Å; L85-F160 HydrophobicContact CD2-CZ 4.27Å; L85-F160 HydrophobicContact CG-CD1 4.12Å; L85-F160 HydrophobicContact CG-CE1 3.84Å; L85-F160 HydrophobicContact CG-CZ 4.38Å; L156-F160 HydrophobicContact CB-CD2 4.47Å; L156-F160 HydrophobicContact CD2-CD2 3.91Å; L156-F160 HydrophobicContact CD2-CE2 3.48Å; L156-F160 VanDerWaalsContact CD2-CE2 3.48Å; L156-F160 HydrophobicContact CG-CD2 3.94Å; L156-F160 HydrophobicContact CG-CE2 3.54Å; L156-F160 WeakPolarHBondContact O-CB 3.14Å; L156-F160 WeakPolarHBondContact O-CD2 3.46Å; L156-F160 PolarHBondContact O-N 3.38Å; T157-F160 CarbonylContact O-C 3.58Å; T157-F160 PolarHBondContact O-N 3.08Å; L158-F160 VanDerWaalsContact C-N 3.28Å; L158-F160 PolarHBondContact O-N 3.39Å; F160-K162 VanDerWaalsContact C-N 3.27Å; F160-K162 PolarHBondContact O-N 2.8Å; F160-Y163 CarbonylContact O-C 3.5Å; F160-Y163 PolarHBondContact O-N 3.45Å; F160-E164 WeakPolarHBondContact O-CB 3.49Å; F160-E164 WeakPolarHBondContact O-CG 3.18Å; F160-E164 PolarHBondContact O-N 3.12Å
161	T	46.9	Very low	44.7	Very low	28 Å²	28	45.5 Å²	45.5	17%	0.172	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-43.3	171.5	-55.9	0	0	0	0	110.2	F102 T157 L158 E164 I165	F102-T161 HydrophobicContact CD2-CG2 4.44Å; F102-T161 HydrophobicContact CE2-CG2 4.49Å; T157-T161 PolarHBondContact O-N 3.34Å; T157-T161 PolarHBondContact O-OG1 3.43Å; L158-T161 PolarHBondContact O-N 3.21Å; T161-E164 PolarHBondContact O-N 2.99Å; T161-I165 HydrophobicContact CG2-CD1 3.91Å; T161-I165 WeakPolarHBondContact O-CB 3.27Å; T161-I165 WeakPolarHBondContact O-CD1 3.4Å; T161-I165 WeakPolarHBondContact O-CG1 3.31Å; T161-I165 PolarHBondContact O-N 3.5Å
162	K	46.6	Very low	45	Very low	50 Å²	50	45.1 Å²	45.1	22%	0.217	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-45.2	175.4	-169.9	170.5	172.6	168.6	0	111.5	L60 V135 I136 L158 T159 F160 I165 V166	L60-K162 HydrophobicContact CD1-CB 4.43Å; L60-K162 HydrophobicContact CD1-CD 4.49Å; L60-K162 HydrophobicContact CD1-CG 4.13Å; L60-K162 HydrophobicContact CD2-CD 4.11Å; L60-K162 HydrophobicContact CD2-CG 4.44Å; V135-K162 PolarHBondContact O-NZ 2.93Å; I136-K162 WeakPolarHBondContact O-CE 3.24Å; L158-K162 WeakPolarHBondContact O-CB 3.46Å; L158-K162 PolarHBondContact O-N 2.91Å; T159-K162 PolarHBondContact O-N 3.23Å; F160-K162 VanDerWaalsContact C-N 3.27Å; F160-K162 PolarHBondContact O-N 2.8Å; K162-I165 PolarHBondContact O-N 3.46Å; K162-V166 WeakPolarHBondContact O-CB 3.3Å; K162-V166 VanDerWaalsContact O-CG2 3.28Å; K162-V166 WeakPolarHBondContact O-CG2 3.39Å; K162-V166 PolarHBondContact O-N 3.16Å
163	Y	44.4	Very low	44.6	Very low	41 Å²	41	45.1 Å²	45.1	16%	0.161	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-43.2	175.7	174.6	-102	0	0	0	112.4	E57 T159 F160 V166 R167	E57-Y163 HydrophobicContact CG-CD2 4.1Å; E57-Y163 HydrophobicContact CG-CE2 3.75Å; T159-Y163 WeakPolarHBondContact O-CB 3.35Å; T159-Y163 PolarHBondContact O-N 3.01Å; F160-Y163 CarbonylContact O-C 3.5Å; F160-Y163 PolarHBondContact O-N 3.45Å; Y163-V166 PolarHBondContact O-N 3.09Å; Y163-R167 WeakPolarHBondContact O-CB 3.44Å; Y163-R167 PolarHBondContact O-N 3.49Å
164	E	46.9	Very low	44.3	Very low	30 Å²	30	42.1 Å²	42.1	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-41.5	177.5	-76.7	-161.7	150.6	0	0	112	F160 T161 R167 N168	F160-E164 WeakPolarHBondContact O-CB 3.49Å; F160-E164 WeakPolarHBondContact O-CG 3.18Å; F160-E164 PolarHBondContact O-N 3.12Å; T161-E164 PolarHBondContact O-N 2.99Å; E164-R167 PolarHBondContact O-N 2.71Å; E164-N168 WeakPolarHBondContact O-CB 3.06Å; E164-N168 VanDerWaalsContact O-CG 3.26Å; E164-N168 PolarHBondContact O-N 2.77Å; E164-N168 PolarHBondContact O-ND2 3.25Å
165	I	46.3	Very low	43.8	Very low	68 Å²	68	42.9 Å²	42.9	35%	0.349	22%	0.217	S	C	.	.	H	α-helix	trans	-59.6	-50	174.2	-70.3	166.2	0	0	0	109.9	I136 T161 K162 R167 N168 Y169	I136-I165 HydrophobicContact CD1-CG2 4.06Å; I136-I165 HydrophobicContact CG1-CG2 4.49Å; T161-I165 HydrophobicContact CG2-CD1 3.91Å; T161-I165 WeakPolarHBondContact O-CB 3.27Å; T161-I165 WeakPolarHBondContact O-CD1 3.4Å; T161-I165 WeakPolarHBondContact O-CG1 3.31Å; T161-I165 PolarHBondContact O-N 3.5Å; K162-I165 PolarHBondContact O-N 3.46Å; I165-R167 PolarHBondContact O-N 2.83Å; I165-N168 PolarHBondContact O-N 2.69Å; I165-Y169 WeakPolarHBondContact O-CB 3.26Å; I165-Y169 PolarHBondContact O-N 3.11Å
166	V	44.8	Very low	43.4	Very low	2 Å²	2	43.4 Å²	43.4	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-46.4	177.4	168	0	0	0	0	110.7	L53 I136 K162 Y163 Y169 N170	L53-V166 HydrophobicContact CB-CG1 4.23Å; L53-V166 HydrophobicContact CD2-CB 4.36Å; L53-V166 HydrophobicContact CD2-CG1 3.94Å; L53-V166 HydrophobicContact CD2-CG2 3.95Å; I136-V166 HydrophobicContact CG2-CG2 4.14Å; K162-V166 WeakPolarHBondContact O-CB 3.3Å; K162-V166 VanDerWaalsContact O-CG2 3.28Å; K162-V166 WeakPolarHBondContact O-CG2 3.39Å; K162-V166 PolarHBondContact O-N 3.16Å; Y163-V166 PolarHBondContact O-N 3.09Å; V166-Y169 CarbonylContact O-C 3.24Å; V166-Y169 WeakPolarHBondContact O-CB 3.45Å; V166-Y169 PolarHBondContact O-N 3.29Å; V166-N170 WeakPolarHBondContact O-CB 3.48Å; V166-N170 VanDerWaalsContact O-CG 3.23Å; V166-N170 PolarHBondContact O-N 3.44Å; V166-N170 PolarHBondContact O-OD1 2.99Å
167	R	45	Very low	43.1	Very low	49 Å²	49	50 Å²	50	19%	0.185	24%	0.241	C	C	.	.	H	α-helix	trans	-66.3	-39.9	-180	-178.5	176.1	174.8	-179.9	-7.6	112.8	T89 Y163 E164 I165 Y169 N170 K171	T89-R167 VanDerWaalsContact OG1-CZ 3.24Å; T89-R167 PolarHBondContact OG1-NH1 3.28Å; T89-R167 PolarHBondContact OG1-NH2 3.08Å; T89-R167 VanDerWaalsContact OG1-NH2 3.08Å; Y163-R167 WeakPolarHBondContact O-CB 3.44Å; Y163-R167 PolarHBondContact O-N 3.49Å; E164-R167 PolarHBondContact O-N 2.71Å; I165-R167 PolarHBondContact O-N 2.83Å; R167-Y169 VanDerWaalsContact C-N 3.32Å; R167-N170 CarbonylContact O-C 3.59Å; R167-N170 WeakPolarHBondContact O-CB 3.25Å; R167-N170 PolarHBondContact O-N 2.87Å; R167-K171 PolarHBondContact O-N 3.07Å
168	N	47.9	Very low	42.3	Very low	64 Å²	64	53.5 Å²	53.5	34%	0.342	25%	0.251	S	S	.	.	H	α-helix	trans	-68.6	-36.4	176.7	-76.3	-25.5	0	0	0	110.7	E164 I165 H172	E164-N168 WeakPolarHBondContact O-CB 3.06Å; E164-N168 VanDerWaalsContact O-CG 3.26Å; E164-N168 PolarHBondContact O-N 2.77Å; E164-N168 PolarHBondContact O-ND2 3.25Å; I165-N168 PolarHBondContact O-N 2.69Å; N168-H172 WeakPolarHBondContact O-CB 3.43Å; N168-H172 PolarHBondContact O-N 2.81Å
169	Y	44.6	Very low	41.5	Very low	41 Å²	41	52.2 Å²	52.2	16%	0.161	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-42.1	168	-162.8	-86.1	0	0	0	111.3	M1 D49 L53 I165 V166 R167 H172 L173	M1-Y169 HydrophobicContact CE-CD2 3.67Å; M1-Y169 HydrophobicContact CE-CE2 3.4Å; D49-Y169 HydrophobicContact CB-CE1 4.35Å; D49-Y169 PolarHBondContact OD2-OH 3.07Å; L53-Y169 HydrophobicContact CD1-CD1 3.19Å; L53-Y169 HydrophobicContact CD1-CE1 3.48Å; L53-Y169 VanDerWaalsContact CD1-CE1 3.48Å; L53-Y169 HydrophobicContact CD1-CG 4.21Å; I165-Y169 WeakPolarHBondContact O-CB 3.26Å; I165-Y169 PolarHBondContact O-N 3.11Å; V166-Y169 CarbonylContact O-C 3.24Å; V166-Y169 WeakPolarHBondContact O-CB 3.45Å; V166-Y169 PolarHBondContact O-N 3.29Å; R167-Y169 VanDerWaalsContact C-N 3.32Å; Y169-H172 CarbonylContact O-C 3.56Å; Y169-H172 WeakPolarHBondContact O-CA 3.44Å; Y169-H172 WeakPolarHBondContact O-CB 3.42Å; Y169-H172 PolarHBondContact O-N 3.03Å; Y169-H172 VanDerWaalsContact O-N 3.1Å; Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CD2 4.44Å; Y169-L173 HydrophobicContact CD1-CG 3.78Å; Y169-L173 HydrophobicContact CE1-CD1 3.57Å; Y169-L173 HydrophobicContact CE1-CD2 3.94Å; Y169-L173 HydrophobicContact CE1-CG 3.74Å; Y169-L173 WeakPolarHBondContact O-CG 3.37Å; Y169-L173 PolarHBondContact O-N 3.19Å
170	N	41.5	Very low	41	Very low	15 Å²	15	54.6 Å²	54.6	8%	0.08	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175.2	-71.8	-11.3	0	0	0	112	V166 R167 H172 L173 L174	V166-N170 WeakPolarHBondContact O-CB 3.48Å; V166-N170 VanDerWaalsContact O-CG 3.23Å; V166-N170 PolarHBondContact O-N 3.44Å; V166-N170 PolarHBondContact O-OD1 2.99Å; R167-N170 CarbonylContact O-C 3.59Å; R167-N170 WeakPolarHBondContact O-CB 3.25Å; R167-N170 PolarHBondContact O-N 2.87Å; N170-H172 PolarHBondContact O-N 3.1Å; N170-L173 PolarHBondContact O-N 3.05Å; N170-L174 VanDerWaalsContact O-CB 3.27Å; N170-L174 WeakPolarHBondContact O-CB 3.25Å; N170-L174 VanDerWaalsContact O-CG 3.26Å; N170-L174 WeakPolarHBondContact O-CG 3.45Å; N170-L174 PolarHBondContact O-N 3.24Å
171	K	44.1	Very low	40.5	Very low	81 Å²	81	58.1 Å²	58.1	35%	0.352	28%	0.279	S	S	.	.	H	α-helix	trans	-58.6	-38.2	172.5	-81.9	-175.2	-179.6	174.8	0	110.5	T89 R167 T175	T89-K171 PolarHBondContact O-NZ 3.02Å; R167-K171 PolarHBondContact O-N 3.07Å; K171-T175 VanDerWaalsContact O-CB 3.26Å; K171-T175 WeakPolarHBondContact O-CB 3.24Å; K171-T175 PolarHBondContact O-N 2.95Å; K171-T175 PolarHBondContact O-OG1 3.2Å
172	H	44.2	Very low	39.8	Very low	34 Å²	34	61 Å²	61	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-55.3	175.5	-161.2	66.2	0	0	0	111	K2 N168 Y169 N170 L174 T175 H176	K2-H172 WeakPolarHBondContact CA-CE1 3.45Å; K2-H172 PolarHBondContact N-CE1 3.28Å; K2-H172 VanDerWaalsContact N-CE1 3.3Å; K2-H172 PolarHBondContact N-NE2 3.16Å; N168-H172 WeakPolarHBondContact O-CB 3.43Å; N168-H172 PolarHBondContact O-N 2.81Å; Y169-H172 CarbonylContact O-C 3.56Å; Y169-H172 WeakPolarHBondContact O-CA 3.44Å; Y169-H172 WeakPolarHBondContact O-CB 3.42Å; Y169-H172 PolarHBondContact O-N 3.03Å; Y169-H172 VanDerWaalsContact O-N 3.1Å; N170-H172 PolarHBondContact O-N 3.1Å; H172-L174 PolarHBondContact O-N 3.43Å; H172-T175 PolarHBondContact O-N 3.26Å; H172-H176 AromaticContact CD2-CD2 3.54Å; H172-H176 AromaticContact CD2-NE2 3.28Å; H172-H176 PolarHBondContact CD2-NE2 2.82Å; H172-H176 VanDerWaalsContact CD2-NE2 3.28Å; H172-H176 AromaticContact CE1-CE1 4Å; H172-H176 AromaticContact CE1-NE2 3.13Å; H172-H176 PolarHBondContact CE1-NE2 2.88Å; H172-H176 AromaticContact CG-CD2 3.82Å; H172-H176 AromaticContact CG-NE2 3.59Å; H172-H176 AromaticContact ND1-NE2 3.49Å; H172-H176 PolarHBondContact ND1-NE2 2.64Å; H172-H176 AromaticContact NE2-CD2 3.74Å; H172-H176 AromaticContact NE2-NE2 2.97Å; H172-H176 PolarHBondContact NE2-NE2 3.44Å; H172-H176 PolarHBondContact O-CD2 3.44Å; H172-H176 VanDerWaalsContact O-CG 3.24Å; H172-H176 PolarHBondContact O-N 2.89Å
173	L	34.2	Very low	39.2	Very low	21 Å²	21	61 Å²	61	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-45.4	177.7	-68.6	-178.5	0	0	0	112.7	L46 E50 L53 Y169 N170 H176 R177	L46-L173 HydrophobicContact CD2-CD2 3.54Å; E50-L173 HydrophobicContact CB-CD1 4.12Å; L53-L173 HydrophobicContact CD1-CD1 4.01Å; Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CD2 4.44Å; Y169-L173 HydrophobicContact CD1-CG 3.78Å; Y169-L173 HydrophobicContact CE1-CD1 3.57Å; Y169-L173 HydrophobicContact CE1-CD2 3.94Å; Y169-L173 HydrophobicContact CE1-CG 3.74Å; Y169-L173 WeakPolarHBondContact O-CG 3.37Å; Y169-L173 PolarHBondContact O-N 3.19Å; N170-L173 PolarHBondContact O-N 3.05Å; L173-H176 CarbonylContact O-C 3.59Å; L173-H176 VanDerWaalsContact O-C 3.24Å; L173-H176 VanDerWaalsContact O-CA 3.29Å; L173-H176 WeakPolarHBondContact O-CA 3.29Å; L173-H176 WeakPolarHBondContact O-CB 3.41Å; L173-H176 PolarHBondContact O-N 2.92Å; L173-R177 PolarHBondContact O-N 3.43Å; L173-R177 VanDerWaalsContact O-N 3.11Å
174	L	35	Very low	38.9	Very low	79 Å²	79	62.7 Å²	62.7	41%	0.414	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-38	178.5	-72.5	171	0	0	0	112.3	N170 H172 H176 R177	N170-L174 VanDerWaalsContact O-CB 3.27Å; N170-L174 WeakPolarHBondContact O-CB 3.25Å; N170-L174 VanDerWaalsContact O-CG 3.26Å; N170-L174 WeakPolarHBondContact O-CG 3.45Å; N170-L174 PolarHBondContact O-N 3.24Å; H172-L174 PolarHBondContact O-N 3.43Å; L174-H176 PolarHBondContact O-N 3.46Å; L174-R177 WeakPolarHBondContact O-CB 3.42Å; L174-R177 PolarHBondContact O-N 3.08Å; L174-R177 VanDerWaalsContact O-N 3.1Å
175	T	35.1	Very low	38.6	Very low	90 Å²	90	65.1 Å²	65.1	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-63.1	-32.5	170.7	-54	0	0	0	0	110.2	K171 H172 R177	K171-T175 VanDerWaalsContact O-CB 3.26Å; K171-T175 WeakPolarHBondContact O-CB 3.24Å; K171-T175 PolarHBondContact O-N 2.95Å; K171-T175 PolarHBondContact O-OG1 3.2Å; H172-T175 PolarHBondContact O-N 3.26Å; T175-R177 VanDerWaalsContact C-N 3.28Å; T175-R177 PolarHBondContact O-N 2.94Å
176	H	35.5	Very low	38	Very low	27 Å²	27	65 Å²	65	13%	0.125	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.9	174.9	-62.6	-53.6	0	0	0	114.6	H172 L173 L174 F178 L179	H172-H176 AromaticContact CD2-CD2 3.54Å; H172-H176 AromaticContact CD2-NE2 3.28Å; H172-H176 PolarHBondContact CD2-NE2 2.82Å; H172-H176 VanDerWaalsContact CD2-NE2 3.28Å; H172-H176 AromaticContact CE1-CE1 4Å; H172-H176 AromaticContact CE1-NE2 3.13Å; H172-H176 PolarHBondContact CE1-NE2 2.88Å; H172-H176 AromaticContact CG-CD2 3.82Å; H172-H176 AromaticContact CG-NE2 3.59Å; H172-H176 AromaticContact ND1-NE2 3.49Å; H172-H176 PolarHBondContact ND1-NE2 2.64Å; H172-H176 AromaticContact NE2-CD2 3.74Å; H172-H176 AromaticContact NE2-NE2 2.97Å; H172-H176 PolarHBondContact NE2-NE2 3.44Å; H172-H176 PolarHBondContact O-CD2 3.44Å; H172-H176 VanDerWaalsContact O-CG 3.24Å; H172-H176 PolarHBondContact O-N 2.89Å; L173-H176 CarbonylContact O-C 3.59Å; L173-H176 VanDerWaalsContact O-C 3.24Å; L173-H176 VanDerWaalsContact O-CA 3.29Å; L173-H176 WeakPolarHBondContact O-CA 3.29Å; L173-H176 WeakPolarHBondContact O-CB 3.41Å; L173-H176 PolarHBondContact O-N 2.92Å; L174-H176 PolarHBondContact O-N 3.46Å; H176-F178 PolarHBondContact O-N 3.14Å; H176-L179 HydrophobicContact CB-CD1 4.43Å; H176-L179 WeakPolarHBondContact O-CB 3.26Å; H176-L179 PolarHBondContact O-N 3.43Å
177	R	36.5	Very low	37.7	Very low	165 Å²	165	68 Å²	68	62%	0.623	34%	0.335	S	S	*	.	H	α-helix	trans	-56.6	-12.9	163.7	-147.2	178.1	-158.3	-168.5	5.4	111.7	L173 L174 T175 L179 T180 N181	L173-R177 PolarHBondContact O-N 3.43Å; L173-R177 VanDerWaalsContact O-N 3.11Å; L174-R177 WeakPolarHBondContact O-CB 3.42Å; L174-R177 PolarHBondContact O-N 3.08Å; L174-R177 VanDerWaalsContact O-N 3.1Å; T175-R177 VanDerWaalsContact C-N 3.28Å; T175-R177 PolarHBondContact O-N 2.94Å; R177-L179 PolarHBondContact O-N 2.8Å; R177-T180 PolarHBondContact O-N 2.87Å; R177-T180 VanDerWaalsContact O-N 3.17Å; R177-N181 PolarHBondContact O-N 3.26Å
178	F	30.4	Very low	37.4	Very low	143 Å²	143	74 Å²	74	63%	0.627	36%	0.358	S	S	*	.	H	α-helix	trans	-51.5	-34.1	162.2	-154.4	-96.9	0	0	0	113.2	H176 N181 I182	H176-F178 PolarHBondContact O-N 3.14Å; F178-N181 WeakPolarHBondContact O-CB 3.23Å; F178-N181 PolarHBondContact O-N 2.79Å; F178-I182 HydrophobicContact CD1-CD1 3.61Å; F178-I182 HydrophobicContact CD1-CG1 4.1Å; F178-I182 HydrophobicContact CE1-CD1 3.74Å; F178-I182 HydrophobicContact CE1-CG1 4.11Å; F178-I182 WeakPolarHBondContact O-CG1 3.45Å; F178-I182 PolarHBondContact O-N 2.88Å
179	L	30.2	Very low	37.3	Very low	40 Å²	40	79.1 Å²	79.1	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-71.4	-41.1	175.1	-67.3	170.8	0	0	0	112.5	L5 I9 H176 R177 N181 I182 V183	L5-L179 HydrophobicContact CD2-CD1 3.63Å; I9-L179 HydrophobicContact CD1-CD1 4.03Å; I9-L179 HydrophobicContact CD1-CD2 3.39Å; I9-L179 HydrophobicContact CD1-CG 4.3Å; I9-L179 HydrophobicContact CG1-CD2 4.36Å; H176-L179 HydrophobicContact CB-CD1 4.43Å; H176-L179 WeakPolarHBondContact O-CB 3.26Å; H176-L179 PolarHBondContact O-N 3.43Å; R177-L179 PolarHBondContact O-N 2.8Å; L179-N181 PolarHBondContact O-N 3.3Å; L179-I182 HydrophobicContact CD2-CD1 4.33Å; L179-I182 PolarHBondContact O-N 3.5Å; L179-V183 WeakPolarHBondContact O-CG2 3.34Å; L179-V183 PolarHBondContact O-N 3.35Å
180	T	34.7	Very low	37.4	Very low	59 Å²	59	82.1 Å²	82.1	36%	0.362	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-37.7	171.7	-32.8	0	0	0	0	110.2	R177 N184	R177-T180 PolarHBondContact O-N 2.87Å; R177-T180 VanDerWaalsContact O-N 3.17Å; T180-N184 WeakPolarHBondContact O-CB 3.43Å; T180-N184 PolarHBondContact O-N 2.96Å; T180-N184 PolarHBondContact O-ND2 3.34Å
181	N	36.1	Very low	37.5	Very low	94 Å²	94	88 Å²	88	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-67.9	-39.3	175.1	-71.3	-12.9	0	0	0	112.8	R177 F178 L179 N184 E185	R177-N181 PolarHBondContact O-N 3.26Å; F178-N181 WeakPolarHBondContact O-CB 3.23Å; F178-N181 PolarHBondContact O-N 2.79Å; L179-N181 PolarHBondContact O-N 3.3Å; N181-N184 PolarHBondContact O-N 3.42Å; N181-E185 VanDerWaalsContact O-CB 3.28Å; N181-E185 WeakPolarHBondContact O-CB 3.36Å; N181-E185 PolarHBondContact O-N 3.21Å
182	I	31.7	Very low	37.2	Very low	88 Å²	88	93.3 Å²	93.3	45%	0.451	44%	0.439	S	S	.	.	H	α-helix	trans	-64.5	-46	175.2	-70.4	165.5	0	0	0	110.8	F178 L179 N184 E185 D186	F178-I182 HydrophobicContact CD1-CD1 3.61Å; F178-I182 HydrophobicContact CD1-CG1 4.1Å; F178-I182 HydrophobicContact CE1-CD1 3.74Å; F178-I182 HydrophobicContact CE1-CG1 4.11Å; F178-I182 WeakPolarHBondContact O-CG1 3.45Å; F178-I182 PolarHBondContact O-N 2.88Å; L179-I182 HydrophobicContact CD2-CD1 4.33Å; L179-I182 PolarHBondContact O-N 3.5Å; I182-N184 VanDerWaalsContact C-N 3.33Å; I182-N184 PolarHBondContact O-N 3.2Å; I182-E185 PolarHBondContact O-N 3.4Å; I182-D186 WeakPolarHBondContact O-CB 3.44Å; I182-D186 PolarHBondContact O-N 2.81Å
183	V	34.3	Very low	36.9	Very low	49 Å²	49	100.6 Å²	100.6	30%	0.297	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-40.2	177.7	174.9	0	0	0	0	110.8	L179 D186 N187	L179-V183 WeakPolarHBondContact O-CG2 3.34Å; L179-V183 PolarHBondContact O-N 3.35Å; V183-D186 PolarHBondContact O-N 3.37Å; V183-N187 WeakPolarHBondContact O-CB 3.4Å; V183-N187 VanDerWaalsContact O-CG 3.31Å; V183-N187 PolarHBondContact O-N 3.3Å; V183-N187 PolarHBondContact O-ND2 3.33Å
184	N	37.4	Very low	37.1	Very low	78 Å²	78	104.6 Å²	104.6	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-68.5	-37.7	176.1	-73.1	-20.2	0	0	0	112.7	T180 N181 I182 R188	T180-N184 WeakPolarHBondContact O-CB 3.43Å; T180-N184 PolarHBondContact O-N 2.96Å; T180-N184 PolarHBondContact O-ND2 3.34Å; N181-N184 PolarHBondContact O-N 3.42Å; I182-N184 VanDerWaalsContact C-N 3.33Å; I182-N184 PolarHBondContact O-N 3.2Å; N184-R188 WeakPolarHBondContact O-CB 3.37Å; N184-R188 WeakPolarHBondContact O-CG 3.35Å; N184-R188 PolarHBondContact O-N 3.24Å
185	E	40.4	Very low	37.2	Very low	81 Å²	81	105.9 Å²	105.9	38%	0.379	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-44.2	173.2	-93.8	-73.8	129.7	0	0	111.5	N181 I182 N187 R188 R189	N181-E185 VanDerWaalsContact O-CB 3.28Å; N181-E185 WeakPolarHBondContact O-CB 3.36Å; N181-E185 PolarHBondContact O-N 3.21Å; I182-E185 PolarHBondContact O-N 3.4Å; E185-N187 PolarHBondContact O-N 3.33Å; E185-R188 PolarHBondContact O-N 2.91Å; E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 3.5Å; E185-R189 IonicContact OE2-CZ 3.25Å; E185-R189 IonicContact OE2-NE 3.71Å; E185-R189 PolarHBondContact OE2-NE 3.2Å; E185-R189 IonicContact OE2-NH2 2.8Å; E185-R189 PolarHBondContact OE2-NH2 3.08Å
186	D	35.5	Very low	37.3	Very low	66 Å²	66	106.8 Å²	106.8	35%	0.353	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-43	176.4	-173.7	50.3	0	0	0	111.2	I182 V183 R189 K190	I182-D186 WeakPolarHBondContact O-CB 3.44Å; I182-D186 PolarHBondContact O-N 2.81Å; V183-D186 PolarHBondContact O-N 3.37Å; D186-R189 PolarHBondContact O-N 3.19Å; D186-K190 WeakPolarHBondContact O-CG 3.48Å; D186-K190 PolarHBondContact O-N 3.25Å; D186-K190 IonicContact OD1-NZ 3.54Å; D186-K190 WeakPolarHBondContact OD2-CE 3.5Å; D186-K190 IonicContact OD2-NZ 2.68Å; D186-K190 PolarHBondContact OD2-NZ 3.28Å
187	N	37.5	Very low	37.4	Very low	64 Å²	64	111.5 Å²	111.5	34%	0.342	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-40.8	173.5	-74.1	-24.6	0	0	0	112.1	V183 E185 R189 K190 I191	V183-N187 WeakPolarHBondContact O-CB 3.4Å; V183-N187 VanDerWaalsContact O-CG 3.31Å; V183-N187 PolarHBondContact O-N 3.3Å; V183-N187 PolarHBondContact O-ND2 3.33Å; E185-N187 PolarHBondContact O-N 3.33Å; N187-R189 PolarHBondContact O-N 3.02Å; N187-K190 PolarHBondContact O-N 3.31Å; N187-I191 WeakPolarHBondContact O-CD1 3.45Å; N187-I191 VanDerWaalsContact O-CG1 3.3Å; N187-I191 WeakPolarHBondContact O-CG1 3.42Å; N187-I191 PolarHBondContact O-N 2.89Å
188	R	39.6	Very low	37.5	Very low	174 Å²	174	108.1 Å²	108.1	66%	0.657	52%	0.524	S	S	*	.	H	α-helix	trans	-63.1	-39.5	175.4	-84.1	-178.8	177.5	-176.4	-0.7	112.6	N184 E185 I191 K192	N184-R188 WeakPolarHBondContact O-CB 3.37Å; N184-R188 WeakPolarHBondContact O-CG 3.35Å; N184-R188 PolarHBondContact O-N 3.24Å; E185-R188 PolarHBondContact O-N 2.91Å; R188-I191 PolarHBondContact O-N 2.76Å; R188-K192 PolarHBondContact O-N 2.8Å
189	R	45.8	Very low	38	Very low	172 Å²	172	105.8 Å²	105.8	65%	0.649	52%	0.517	S	S	*	.	H	α-helix	trans	-68.4	-36	177.3	-71.1	177.3	-167.1	-154.9	2.1	111.8	E185 D186 N187 I191 K192	E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 3.5Å; E185-R189 IonicContact OE2-CZ 3.25Å; E185-R189 IonicContact OE2-NE 3.71Å; E185-R189 PolarHBondContact OE2-NE 3.2Å; E185-R189 IonicContact OE2-NH2 2.8Å; E185-R189 PolarHBondContact OE2-NH2 3.08Å; D186-R189 PolarHBondContact O-N 3.19Å; N187-R189 PolarHBondContact O-N 3.02Å; R189-I191 VanDerWaalsContact C-N 3.3Å; R189-I191 PolarHBondContact O-N 2.84Å; R189-K192 PolarHBondContact O-N 2.78Å
190	K	45	Very low	38.5	Very low	105 Å²	105	110.5 Å²	110.5	46%	0.457	54%	0.539	S	S	.	.	H	α-helix	trans	-69.1	-23.5	175.4	-75.6	171.5	179.1	161	0	114.1	D186 N187	D186-K190 WeakPolarHBondContact O-CG 3.48Å; D186-K190 PolarHBondContact O-N 3.25Å; D186-K190 IonicContact OD1-NZ 3.54Å; D186-K190 WeakPolarHBondContact OD2-CE 3.5Å; D186-K190 IonicContact OD2-NZ 2.68Å; D186-K190 PolarHBondContact OD2-NZ 3.28Å; N187-K190 PolarHBondContact O-N 3.31Å
191	I	44.6	Very low	38.8	Very low	138 Å²	138	114.5 Å²	114.5	71%	0.708	55%	0.552	S	S	*	*	H	α-helix	trans	-84.9	-13.3	176	-63.7	163.9	0	0	0	111.9	N187 R188 R189	N187-I191 WeakPolarHBondContact O-CD1 3.45Å; N187-I191 VanDerWaalsContact O-CG1 3.3Å; N187-I191 WeakPolarHBondContact O-CG1 3.42Å; N187-I191 PolarHBondContact O-N 2.89Å; R188-I191 PolarHBondContact O-N 2.76Å; R189-I191 VanDerWaalsContact C-N 3.3Å; R189-I191 PolarHBondContact O-N 2.84Å
192	K	37.9	Very low	39	Very low	192 Å²	192	116.2 Å²	116.2	84%	0.835	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	19.2	177.4	-82.2	-166.4	174.5	-173.2	0	114.5	R188 R189	R188-K192 PolarHBondContact O-N 2.8Å; R189-K192 PolarHBondContact O-N 2.78Å
193	V	38.7	Very low	39.7	Very low	187 Å²	187	118.7 Å²	118.7	100%	1.133	57%	0.566	S	S	*	*			trans	-117.5	0	167.9	-173.8	0	0	0	0	107.8

Retrieved 193 of 193 residues in 417.4 ms (Link to these results)

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