A0A5K4FGV6_SCHMA Loading...

Smp_204810

AlphaFold DB , UniProt , Accession A0A5K4FGV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 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	43.8	Very low	33.6	Very low	247 Å²	247	166.9 Å²	166.9	100%	1.217	81%	0.808	S	S	*	*				0	112	0	-81.7	176	-176.8	0	0	107.4
2	L	30.1	Very low	33.4	Very low	150 Å²	150	171.3 Å²	171.3	79%	0.785	81%	0.81	S	S	*	*			trans	-125.5	143.3	-151.9	-102.2	155.4	0	0	0	109.1
3	F	35.3	Very low	33.4	Very low	163 Å²	163	173.3 Å²	173.3	72%	0.715	81%	0.814	S	S	*	*			trans	68.4	111.7	163.9	-74.9	-81.5	0	0	0	119.7
4	K	39.5	Very low	33.8	Very low	214 Å²	214	164.1 Å²	164.1	93%	0.93	78%	0.778	S	S	*	*				-164.3	99.4	114.7	-105.6	168.5	-175.6	176.2	0	112.5
5	Q	32.9	Very low	34	Very low	148 Å²	148	156.8 Å²	156.8	69%	0.692	75%	0.751	S	S	*	*			trans	-63.6	156.4	165.4	-85.7	171.8	-38.7	0	0	113.1
6	H	31.6	Very low	34.4	Very low	153 Å²	153	153.3 Å²	153.3	71%	0.708	75%	0.745	S	S	*	*			trans	57.4	102.1	148.4	-77.7	-68.8	0	0	0	119.3
7	K	33	Very low	34.5	Very low	195 Å²	195	150.9 Å²	150.9	85%	0.848	74%	0.737	S	S	*	*			trans	-139.7	66.3	147	-132.5	177.7	-173.7	-179.7	0	111.2	V9	K7-V9 HydrophobicContact CG-CG2 3.95Å; K7-V9 PolarHBondContact O-N 3.14Å
8	Q	29.7	Very low	34.8	Very low	168 Å²	168	147.2 Å²	147.2	79%	0.785	72%	0.72	S	S	*	*			trans	-73.4	97	152.4	-96.9	-179.5	-32.1	0	0	106.7
9	V	33.4	Very low	35.4	Very low	114 Å²	114	142.7 Å²	142.7	69%	0.691	70%	0.699	S	S	*	*			trans	-111.6	106	165.9	174.5	0	0	0	0	106.4	K7 N11	K7-V9 HydrophobicContact CG-CG2 3.95Å; K7-V9 PolarHBondContact O-N 3.14Å; V9-N11 PolarHBondContact O-N 3.19Å
10	N	31.4	Very low	35.7	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	69%	0.685	S	S	*	*			trans	-46.8	120.7	179.5	-70.1	-32.8	0	0	0	111.7	W12	N10-W12 PolarHBondContact O-N 3.5Å
11	N	28.8	Very low	36.1	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	68%	0.678	S	S	*	*			trans	-67.2	77.8	167.1	-100.8	-23.1	0	0	0	109.8	V9 K13	V9-N11 PolarHBondContact O-N 3.19Å; N11-K13 PolarHBondContact O-N 2.78Å
12	W	31.6	Very low	36.1	Very low	220 Å²	220	130.8 Å²	130.8	83%	0.833	64%	0.64	S	S	*	*			trans	-85	83.5	162.5	-83.9	50.5	0	0	0	108.4	N10 S14	N10-W12 PolarHBondContact O-N 3.5Å; W12-S14 PolarHBondContact O-N 3.23Å
13	K	32.7	Very low	36.9	Very low	197 Å²	197	125.2 Å²	125.2	86%	0.857	61%	0.61	S	S	*	*			trans	-69.6	86.7	159	-85.6	-178.5	174.9	177.9	0	107.2	N11 S15	N11-K13 PolarHBondContact O-N 2.78Å; K13-S15 PolarHBondContact O-N 3.03Å
14	S	39.8	Very low	37.3	Very low	44 Å²	44	123.3 Å²	123.3	31%	0.308	60%	0.602	S	S	.	*			trans	-59.8	121.8	164.6	55.7	0	0	0	0	107.8	W12 D19	W12-S14 PolarHBondContact O-N 3.23Å; S14-D19 PolarHBondContact OG-OD2 3.04Å
15	S	36.8	Very low	37.7	Very low	55 Å²	55	117.7 Å²	117.7	39%	0.385	58%	0.581	S	S	.	*			trans	-58.9	134.4	174.4	176.3	0	0	0	0	108.9	K13 N17 I18	K13-S15 PolarHBondContact O-N 3.03Å; S15-N17 PolarHBondContact O-N 2.73Å; S15-I18 PolarHBondContact O-N 3.3Å
16	P	39.4	Very low	38.3	Very low	100 Å²	100	111.8 Å²	111.8	65%	0.649	56%	0.555	S	S	*	*	H	α-helix	trans	-55.1	-23.6	-179	20.9	-32.2	0	0	0	113.2	D19 L20	P16-D19 PolarHBondContact O-N 2.99Å; P16-L20 PolarHBondContact O-N 3.08Å
17	N	37.1	Very low	38.9	Very low	114 Å²	114	105.7 Å²	105.7	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-69.3	-32.5	175.3	-70.9	-10.5	0	0	0	113.5	S15 D19 L20 I21	S15-N17 PolarHBondContact O-N 2.73Å; N17-D19 VanDerWaalsContact C-N 3.34Å; N17-L20 PolarHBondContact O-N 3.5Å; N17-I21 WeakPolarHBondContact O-CG1 3.02Å; N17-I21 PolarHBondContact O-N 2.74Å; N17-I21 VanDerWaalsContact O-N 3.16Å
18	I	39.3	Very low	39.5	Very low	84 Å²	84	97.9 Å²	97.9	43%	0.431	50%	0.498	S	S	.	.	H	α-helix	trans	-71.3	-36.1	178.2	-64.8	173	0	0	0	110	S15 L20 K22	S15-I18 PolarHBondContact O-N 3.3Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-K22 HydrophobicContact CG2-CD 4.07Å; I18-K22 WeakPolarHBondContact O-CB 3.43Å; I18-K22 VanDerWaalsContact O-CG 3.25Å; I18-K22 WeakPolarHBondContact O-CG 3.27Å; I18-K22 PolarHBondContact O-N 3.45Å
19	D	45.5	Very low	40.4	Very low	61 Å²	61	93.5 Å²	93.5	33%	0.326	48%	0.479	S	S	.	.	H	α-helix	trans	-69.7	-33.5	177.6	-67.8	-26.6	0	0	0	111.3	S14 P16 N17 F23	S14-D19 PolarHBondContact OG-OD2 3.04Å; P16-D19 PolarHBondContact O-N 2.99Å; N17-D19 VanDerWaalsContact C-N 3.34Å; D19-F23 VanDerWaalsContact O-CB 3.25Å; D19-F23 WeakPolarHBondContact O-CB 3.15Å; D19-F23 PolarHBondContact O-N 2.82Å
20	L	42.4	Very low	41.1	Very low	77 Å²	77	89.3 Å²	89.3	40%	0.403	46%	0.455	S	S	.	.	H	α-helix	trans	-68.5	-44.7	175.1	-149.3	102	0	0	0	112.7	P16 N17 I18 F23 F24 Y192	P16-L20 PolarHBondContact O-N 3.08Å; N17-L20 PolarHBondContact O-N 3.5Å; I18-L20 VanDerWaalsContact C-N 3.34Å; L20-F23 WeakPolarHBondContact O-CB 3.43Å; L20-F23 PolarHBondContact O-N 2.75Å; L20-F24 WeakPolarHBondContact O-CB 3.38Å; L20-F24 PolarHBondContact O-N 3.2Å; L20-Y192 HydrophobicContact CD1-CD1 4.31Å; L20-Y192 HydrophobicContact CD1-CD2 4.27Å; L20-Y192 HydrophobicContact CD1-CE1 3.8Å; L20-Y192 HydrophobicContact CD1-CE2 3.79Å; L20-Y192 HydrophobicContact CG-CE1 4.28Å; L20-Y192 HydrophobicContact CG-CE2 4.38Å
21	I	43.8	Very low	41.8	Very low	107 Å²	107	85 Å²	85	55%	0.549	43%	0.431	S	S	.	.	H	α-helix	trans	-63.5	-44	176.7	-67.2	167.7	0	0	0	110.2	N17 F23 F24 I25	N17-I21 WeakPolarHBondContact O-CG1 3.02Å; N17-I21 PolarHBondContact O-N 2.74Å; N17-I21 VanDerWaalsContact O-N 3.16Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 2.76Å; I21-F24 PolarHBondContact O-N 3.15Å; I21-I25 HydrophobicContact CG2-CD1 3.84Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 3.08Å
22	K	44.6	Very low	42.7	Very low	98 Å²	98	81.6 Å²	81.6	43%	0.426	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.3	-74.7	175.8	-179.9	-179.1	0	111.2	I18 I25 V26 M78	I18-K22 HydrophobicContact CG2-CD 4.07Å; I18-K22 WeakPolarHBondContact O-CB 3.43Å; I18-K22 VanDerWaalsContact O-CG 3.25Å; I18-K22 WeakPolarHBondContact O-CG 3.27Å; I18-K22 PolarHBondContact O-N 3.45Å; K22-I25 PolarHBondContact O-N 3.31Å; K22-V26 VanDerWaalsContact O-CB 3.3Å; K22-V26 WeakPolarHBondContact O-CB 3.42Å; K22-V26 WeakPolarHBondContact O-CG2 3.46Å; K22-V26 PolarHBondContact O-N 3.49Å; K22-M78 HydrophobicContact CD-CE 4.16Å
23	F	45.5	Very low	43.6	Very low	34 Å²	34	73.9 Å²	73.9	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-62.8	-41.4	176.1	-177.1	-89.5	0	0	0	112.5	D19 L20 I21 V26 T27 L84 Y192 A196	D19-F23 VanDerWaalsContact O-CB 3.25Å; D19-F23 WeakPolarHBondContact O-CB 3.15Å; D19-F23 PolarHBondContact O-N 2.82Å; L20-F23 WeakPolarHBondContact O-CB 3.43Å; L20-F23 PolarHBondContact O-N 2.75Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 2.76Å; F23-V26 PolarHBondContact O-N 3.31Å; F23-T27 WeakPolarHBondContact O-CB 3.34Å; F23-T27 PolarHBondContact O-N 3.26Å; F23-T27 PolarHBondContact O-OG1 3.41Å; F23-L84 HydrophobicContact CE2-CD2 3.94Å; F23-Y192 HydrophobicContact CD1-CD1 4.44Å; F23-Y192 AromaticContact CD1-CE1 3.47Å; F23-Y192 HydrophobicContact CD1-CE1 3.47Å; F23-Y192 VanDerWaalsContact CD1-CE1 3.47Å; F23-Y192 HydrophobicContact CE1-CD1 4.39Å; F23-Y192 AromaticContact CE1-CE1 3.67Å; F23-Y192 HydrophobicContact CE1-CE1 3.67Å; F23-Y192 HydrophobicContact CG-CE1 4.13Å; F23-Y192 HydrophobicContact CZ-CE1 4.49Å; F23-A196 HydrophobicContact CE1-CB 3.27Å; F23-A196 HydrophobicContact CZ-CB 3.29Å
24	F	45.2	Very low	44.4	Very low	122 Å²	122	65.8 Å²	65.8	54%	0.535	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-43.6	177.6	-153.7	-95.5	0	0	0	111.5	L20 I21 V26 T27 C28	L20-F24 WeakPolarHBondContact O-CB 3.38Å; L20-F24 PolarHBondContact O-N 3.2Å; I21-F24 PolarHBondContact O-N 3.15Å; F24-V26 VanDerWaalsContact C-N 3.34Å; F24-V26 PolarHBondContact O-N 3.45Å; F24-T27 PolarHBondContact O-N 3.12Å; F24-C28 HydrophobicContact CD1-CB 4.34Å; F24-C28 WeakPolarHBondContact CD1-SG 3.33Å; F24-C28 HydrophobicContact CE1-CB 4.39Å; F24-C28 WeakPolarHBondContact CE1-SG 3.45Å; F24-C28 WeakPolarHBondContact O-CB 3.31Å; F24-C28 PolarHBondContact O-N 3.06Å; F24-C28 PolarHBondContact O-SG 3.28Å; F24-C28 VanDerWaalsContact O-SG 3.36Å
25	I	47.1	Very low	44.8	Very low	97 Å²	97	68 Å²	68	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-47.4	173.3	-68	168	0	0	0	109.9	I21 K22 T27 L29	I21-I25 HydrophobicContact CG2-CD1 3.84Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 3.08Å; K22-I25 PolarHBondContact O-N 3.31Å; I25-T27 VanDerWaalsContact C-N 3.29Å; I25-T27 PolarHBondContact O-N 2.61Å; I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 PolarHBondContact O-N 3.3Å
26	V	45.3	Very low	45.5	Very low	23 Å²	23	69.5 Å²	69.5	14%	0.139	36%	0.361	C	S	.	.	H	α-helix	trans	-68.2	-26.8	-177.1	173.7	0	0	0	0	112.7	K22 F23 F24 P30 L71 F88	K22-V26 VanDerWaalsContact O-CB 3.3Å; K22-V26 WeakPolarHBondContact O-CB 3.42Å; K22-V26 WeakPolarHBondContact O-CG2 3.46Å; K22-V26 PolarHBondContact O-N 3.49Å; F23-V26 PolarHBondContact O-N 3.31Å; F24-V26 VanDerWaalsContact C-N 3.34Å; F24-V26 PolarHBondContact O-N 3.45Å; V26-P30 WeakPolarHBondContact O-CD 3.44Å; V26-P30 WeakPolarHBondContact O-CG 3.33Å; V26-L71 HydrophobicContact CG2-CD2 3.95Å; V26-F88 HydrophobicContact CG1-CE1 3.41Å; V26-F88 VanDerWaalsContact CG1-CE1 3.41Å; V26-F88 HydrophobicContact CG1-CE2 4.42Å; V26-F88 HydrophobicContact CG1-CZ 3.3Å
27	T	44.7	Very low	46	Very low	26 Å²	26	66.4 Å²	66.4	16%	0.16	34%	0.341	C	S	.	.	H	α-helix	trans	-91.2	-41	178.6	-50.7	0	0	0	0	112.4	F23 F24 I25 P30 L31 S200	F23-T27 WeakPolarHBondContact O-CB 3.34Å; F23-T27 PolarHBondContact O-N 3.26Å; F23-T27 PolarHBondContact O-OG1 3.41Å; F24-T27 PolarHBondContact O-N 3.12Å; I25-T27 VanDerWaalsContact C-N 3.29Å; I25-T27 PolarHBondContact O-N 2.61Å; T27-P30 WeakPolarHBondContact O-CD 3.28Å; T27-P30 WeakPolarHBondContact O-CG 2.91Å; T27-L31 HydrophobicContact CG2-CD1 4.46Å; T27-L31 WeakPolarHBondContact O-CD1 3.28Å; T27-S200 WeakPolarHBondContact CG2-OG 3.41Å
28	C	45.3	Very low	46.6	Very low	30 Å²	30	62.1 Å²	62.1	20%	0.203	32%	0.319	C	S	.	.	H	α-helix	trans	-77.8	-31.1	-178.5	-67	0	0	0	0	112.8	F24 L31 I32	F24-C28 HydrophobicContact CD1-CB 4.34Å; F24-C28 WeakPolarHBondContact CD1-SG 3.33Å; F24-C28 HydrophobicContact CE1-CB 4.39Å; F24-C28 WeakPolarHBondContact CE1-SG 3.45Å; F24-C28 WeakPolarHBondContact O-CB 3.31Å; F24-C28 PolarHBondContact O-N 3.06Å; F24-C28 PolarHBondContact O-SG 3.28Å; F24-C28 VanDerWaalsContact O-SG 3.36Å; C28-L31 PolarHBondContact O-N 3.08Å; C28-I32 HydrophobicContact CB-CD1 4.47Å; C28-I32 WeakPolarHBondContact O-CB 3.44Å; C28-I32 VanDerWaalsContact O-CG1 3.23Å; C28-I32 WeakPolarHBondContact O-CG1 3.23Å; C28-I32 PolarHBondContact O-N 3.12Å
29	L	48.4	Very low	47	Very low	76 Å²	76	63 Å²	63	40%	0.398	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-47	177.1	-162.4	73.4	0	0	0	112.8	I25 L31 I32 E33 L71	I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 PolarHBondContact O-N 3.3Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.5Å; L29-I32 PolarHBondContact O-N 3.33Å; L29-E33 VanDerWaalsContact O-CB 3.28Å; L29-E33 WeakPolarHBondContact O-CB 3.46Å; L29-E33 PolarHBondContact O-N 3.18Å; L29-L71 HydrophobicContact CD2-CD1 4.31Å
30	P	47.5	Very low	47.2	Very low	27 Å²	27	64 Å²	64	18%	0.175	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-38	172.3	2.7	-8.2	0	0	0	112.9	V26 T27 E33 M34 F68	V26-P30 WeakPolarHBondContact O-CD 3.44Å; V26-P30 WeakPolarHBondContact O-CG 3.33Å; T27-P30 WeakPolarHBondContact O-CD 3.28Å; T27-P30 WeakPolarHBondContact O-CG 2.91Å; P30-E33 PolarHBondContact O-N 3.32Å; P30-M34 WeakPolarHBondContact O-CB 3.44Å; P30-M34 VanDerWaalsContact O-CG 3.27Å; P30-M34 WeakPolarHBondContact O-CG 3.47Å; P30-M34 PolarHBondContact O-N 3.15Å; P30-F68 HydrophobicContact CB-CE1 3.94Å; P30-F68 HydrophobicContact CB-CE2 4.2Å; P30-F68 HydrophobicContact CB-CZ 3.32Å; P30-F68 HydrophobicContact CG-CE1 3.84Å; P30-F68 HydrophobicContact CG-CZ 3.42Å; P30-F68 VanDerWaalsContact CG-CZ 3.42Å
31	L	47.6	Very low	47.5	Very low	33 Å²	33	63.1 Å²	63.1	17%	0.173	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-45.6	178.6	-75.7	163.5	0	0	0	111.7	T27 C28 L29 E33 M34 I35 Y203	T27-L31 HydrophobicContact CG2-CD1 4.46Å; T27-L31 WeakPolarHBondContact O-CD1 3.28Å; C28-L31 PolarHBondContact O-N 3.08Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.5Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.45Å; L31-M34 HydrophobicContact CD2-CE 3.62Å; L31-M34 HydrophobicContact CG-CE 4.22Å; L31-M34 PolarHBondContact O-N 3.44Å; L31-I35 WeakPolarHBondContact O-CD1 3.26Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.31Å; L31-I35 PolarHBondContact O-N 3.27Å; L31-Y203 HydrophobicContact CD1-CD2 4.46Å; L31-Y203 HydrophobicContact CD2-CG 4.22Å
32	I	48.1	Very low	47.4	Very low	88 Å²	88	60.6 Å²	60.6	45%	0.451	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-43.3	175.4	-69.3	165.2	0	0	0	109.6	C28 L29 I35 I36	C28-I32 HydrophobicContact CB-CD1 4.47Å; C28-I32 WeakPolarHBondContact O-CB 3.44Å; C28-I32 VanDerWaalsContact O-CG1 3.23Å; C28-I32 WeakPolarHBondContact O-CG1 3.23Å; C28-I32 PolarHBondContact O-N 3.12Å; L29-I32 PolarHBondContact O-N 3.33Å; I32-I35 PolarHBondContact O-N 3.42Å; I32-I36 HydrophobicContact CG2-CD1 3.74Å; I32-I36 HydrophobicContact CG2-CG1 4.35Å; I32-I36 VanDerWaalsContact O-CG1 3.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.33Å; I32-I36 PolarHBondContact O-N 3.24Å
33	E	49.3	Very low	47.2	Very low	59 Å²	59	62 Å²	62	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-39.6	178.5	-173.7	168	-153.9	0	0	112.4	L29 P30 L31 I36 T37 S64 F68	L29-E33 VanDerWaalsContact O-CB 3.28Å; L29-E33 WeakPolarHBondContact O-CB 3.46Å; L29-E33 PolarHBondContact O-N 3.18Å; P30-E33 PolarHBondContact O-N 3.32Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.45Å; E33-I36 PolarHBondContact O-N 3.34Å; E33-T37 VanDerWaalsContact O-CB 3.26Å; E33-T37 WeakPolarHBondContact O-CB 3.49Å; E33-T37 PolarHBondContact O-N 2.84Å; E33-T37 PolarHBondContact O-OG1 3.06Å; E33-S64 WeakPolarHBondContact OE1-CB 3.28Å; E33-F68 VanDerWaalsContact OE2-CE2 3.25Å; E33-F68 WeakPolarHBondContact OE2-CE2 3.42Å
34	M	50.3	Low	47.2	Very low	27 Å²	27	65.6 Å²	65.6	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-45.1	170.8	-77.4	-170.3	-61	0	0	110.9	P30 L31 T37 T38 L95 L204 F207	P30-M34 WeakPolarHBondContact O-CB 3.44Å; P30-M34 VanDerWaalsContact O-CG 3.27Å; P30-M34 WeakPolarHBondContact O-CG 3.47Å; P30-M34 PolarHBondContact O-N 3.15Å; L31-M34 HydrophobicContact CD2-CE 3.62Å; L31-M34 HydrophobicContact CG-CE 4.22Å; L31-M34 PolarHBondContact O-N 3.44Å; M34-T37 PolarHBondContact O-N 3.29Å; M34-T38 PolarHBondContact O-N 3.16Å; M34-L95 HydrophobicContact CG-CD1 3.85Å; M34-L95 HydrophobicContact SD-CD1 3.73Å; M34-L204 HydrophobicContact CE-CD2 3.82Å; M34-L204 HydrophobicContact CE-CG 4.46Å; M34-L204 HydrophobicContact SD-CD2 3.66Å; M34-F207 HydrophobicContact CB-CE1 4.34Å; M34-F207 HydrophobicContact CB-CE2 4.36Å; M34-F207 HydrophobicContact CB-CZ 3.9Å; M34-F207 VanDerWaalsContact O-CZ 3.24Å; M34-F207 WeakPolarHBondContact O-CZ 3.01Å
35	I	48.4	Very low	47.2	Very low	89 Å²	89	62 Å²	62	46%	0.456	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-47.4	176.6	-68.8	163.9	0	0	0	110.9	L31 I32 T37 T38 I39 F207	L31-I35 WeakPolarHBondContact O-CD1 3.26Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.31Å; L31-I35 PolarHBondContact O-N 3.27Å; I32-I35 PolarHBondContact O-N 3.42Å; I35-T37 VanDerWaalsContact C-N 3.35Å; I35-T37 PolarHBondContact O-N 2.78Å; I35-T38 PolarHBondContact O-N 2.79Å; I35-I39 HydrophobicContact CG2-CD1 3.68Å; I35-I39 HydrophobicContact CG2-CG1 4.37Å; I35-I39 WeakPolarHBondContact O-CB 3.45Å; I35-I39 VanDerWaalsContact O-CG1 3.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.43Å; I35-I39 PolarHBondContact O-N 3.15Å; I35-F207 HydrophobicContact CG1-CE2 4.47Å
36	I	50.6	Low	46.9	Very low	87 Å²	87	65.4 Å²	65.4	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.8	-69.3	168.6	0	0	0	110	I32 E33 T38 I39 L40	I32-I36 HydrophobicContact CG2-CD1 3.74Å; I32-I36 HydrophobicContact CG2-CG1 4.35Å; I32-I36 VanDerWaalsContact O-CG1 3.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.33Å; I32-I36 PolarHBondContact O-N 3.24Å; E33-I36 PolarHBondContact O-N 3.34Å; I36-T38 VanDerWaalsContact C-N 3.33Å; I36-T38 PolarHBondContact O-N 2.74Å; I36-I39 PolarHBondContact O-N 3.37Å; I36-L40 HydrophobicContact CG2-CD1 3.74Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 WeakPolarHBondContact O-CB 2.8Å; I36-L40 VanDerWaalsContact O-CG 3.23Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 3.32Å
37	T	51.1	Low	47	Very low	35 Å²	35	70.7 Å²	70.7	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-43.1	179.2	-56.8	0	0	0	0	110.5	E33 M34 I35 L40 I41	E33-T37 VanDerWaalsContact O-CB 3.26Å; E33-T37 WeakPolarHBondContact O-CB 3.49Å; E33-T37 PolarHBondContact O-N 2.84Å; E33-T37 PolarHBondContact O-OG1 3.06Å; M34-T37 PolarHBondContact O-N 3.29Å; I35-T37 VanDerWaalsContact C-N 3.35Å; I35-T37 PolarHBondContact O-N 2.78Å; T37-L40 CarbonylContact O-C 3.57Å; T37-L40 PolarHBondContact O-N 2.64Å; T37-I41 HydrophobicContact CG2-CD1 3.96Å; T37-I41 HydrophobicContact CG2-CG1 4.44Å; T37-I41 WeakPolarHBondContact O-CB 3.36Å; T37-I41 WeakPolarHBondContact O-CD1 3.23Å; T37-I41 WeakPolarHBondContact O-CG1 3.49Å; T37-I41 PolarHBondContact O-N 3.07Å
38	T	48.5	Very low	46.9	Very low	25 Å²	25	71 Å²	71	15%	0.153	37%	0.365	C	S	.	.	H	α-helix	trans	-70.7	-36.9	176	-78.9	0	0	0	0	113.2	M34 I35 I36 L40 I41 C42 F207	M34-T38 PolarHBondContact O-N 3.16Å; I35-T38 PolarHBondContact O-N 2.79Å; I36-T38 VanDerWaalsContact C-N 3.33Å; I36-T38 PolarHBondContact O-N 2.74Å; T38-L40 VanDerWaalsContact C-N 3.32Å; T38-I41 PolarHBondContact O-N 3.28Å; T38-C42 WeakPolarHBondContact O-CB 3.15Å; T38-C42 PolarHBondContact O-N 3.28Å; T38-C42 PolarHBondContact O-SG 3.5Å; T38-F207 HydrophobicContact CG2-CE2 4.07Å; T38-F207 HydrophobicContact CG2-CZ 4.11Å; T38-F207 WeakPolarHBondContact OG1-CE1 3.44Å; T38-F207 WeakPolarHBondContact OG1-CZ 3.24Å
39	I	47.8	Very low	47.1	Very low	103 Å²	103	79.6 Å²	79.6	53%	0.528	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-42.4	172.6	-69.3	167.2	0	0	0	110.1	I35 I36 C42 K43	I35-I39 HydrophobicContact CG2-CD1 3.68Å; I35-I39 HydrophobicContact CG2-CG1 4.37Å; I35-I39 WeakPolarHBondContact O-CB 3.45Å; I35-I39 VanDerWaalsContact O-CG1 3.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.43Å; I35-I39 PolarHBondContact O-N 3.15Å; I36-I39 PolarHBondContact O-N 3.37Å; I39-C42 PolarHBondContact O-N 3.37Å; I39-K43 WeakPolarHBondContact O-CB 3.45Å; I39-K43 PolarHBondContact O-N 3.32Å
40	L	49	Very low	47.1	Very low	80 Å²	80	81.7 Å²	81.7	42%	0.419	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-44.2	175.1	-71	174.7	0	0	0	110.8	I36 T37 T38 C42 K43 F44	I36-L40 HydrophobicContact CG2-CD1 3.74Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 WeakPolarHBondContact O-CB 2.8Å; I36-L40 VanDerWaalsContact O-CG 3.23Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 3.32Å; T37-L40 CarbonylContact O-C 3.57Å; T37-L40 PolarHBondContact O-N 2.64Å; T38-L40 VanDerWaalsContact C-N 3.32Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.47Å; L40-K43 PolarHBondContact O-N 3.48Å; L40-F44 HydrophobicContact CB-CD2 4.12Å; L40-F44 HydrophobicContact CB-CE2 4.28Å; L40-F44 HydrophobicContact CD2-CE2 4.04Å; L40-F44 VanDerWaalsContact O-CB 3.27Å; L40-F44 WeakPolarHBondContact O-CB 3.44Å; L40-F44 WeakPolarHBondContact O-CD2 3.33Å; L40-F44 PolarHBondContact O-N 3.33Å
41	I	49.3	Very low	47.1	Very low	60 Å²	60	87.5 Å²	87.5	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-56.7	-48.8	172.2	-70.2	161.4	0	0	0	109.3	T37 T38 K43 C45 Y57	T37-I41 HydrophobicContact CG2-CD1 3.96Å; T37-I41 HydrophobicContact CG2-CG1 4.44Å; T37-I41 WeakPolarHBondContact O-CB 3.36Å; T37-I41 WeakPolarHBondContact O-CD1 3.23Å; T37-I41 WeakPolarHBondContact O-CG1 3.49Å; T37-I41 PolarHBondContact O-N 3.07Å; T38-I41 PolarHBondContact O-N 3.28Å; I41-K43 PolarHBondContact O-N 3.39Å; I41-C45 WeakPolarHBondContact O-CA 3.5Å; I41-C45 WeakPolarHBondContact O-CB 3.44Å; I41-C45 PolarHBondContact O-N 2.77Å; I41-Y57 HydrophobicContact CD1-CE2 3.89Å; I41-Y57 WeakPolarHBondContact CD1-OH 3.21Å; I41-Y57 HydrophobicContact CG1-CD2 4.38Å; I41-Y57 HydrophobicContact CG1-CE2 3.42Å; I41-Y57 VanDerWaalsContact CG1-CE2 3.42Å
42	C	42.4	Very low	46.8	Very low	53 Å²	53	91.5 Å²	91.5	36%	0.358	46%	0.46	S	S	.	.	H	α-helix	trans	-61.8	-42.5	179.3	-75.6	0	0	0	0	112.1	T38 I39 L40 H46	T38-C42 WeakPolarHBondContact O-CB 3.15Å; T38-C42 PolarHBondContact O-N 3.28Å; T38-C42 PolarHBondContact O-SG 3.5Å; I39-C42 PolarHBondContact O-N 3.37Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.47Å; C42-H46 WeakPolarHBondContact O-CB 3.48Å; C42-H46 PolarHBondContact O-N 3.38Å; C42-H46 VanDerWaalsContact O-N 3.08Å
43	K	40.4	Very low	46.6	Very low	128 Å²	128	91.7 Å²	91.7	56%	0.557	46%	0.459	S	S	*	.	H	α-helix	trans	-71.4	-47.3	180	-168.9	177.1	179.5	-178	0	112.2	I39 L40 I41 C45 H46 E47	I39-K43 WeakPolarHBondContact O-CB 3.45Å; I39-K43 PolarHBondContact O-N 3.32Å; L40-K43 PolarHBondContact O-N 3.48Å; I41-K43 PolarHBondContact O-N 3.39Å; K43-C45 VanDerWaalsContact C-N 3.34Å; K43-C45 PolarHBondContact O-N 3.29Å; K43-H46 WeakPolarHBondContact O-CB 3.39Å; K43-H46 PolarHBondContact O-N 2.82Å; K43-H46 VanDerWaalsContact O-N 3.15Å; K43-E47 PolarHBondContact O-N 3.33Å
44	F	44.5	Very low	46.2	Very low	110 Å²	110	95.8 Å²	95.8	48%	0.482	47%	0.473	S	S	.	.	H	α-helix	trans	-65.7	-36.4	174.3	-77.2	-65.7	0	0	0	111.2	L40 H46 E47 C48	L40-F44 HydrophobicContact CB-CD2 4.12Å; L40-F44 HydrophobicContact CB-CE2 4.28Å; L40-F44 HydrophobicContact CD2-CE2 4.04Å; L40-F44 VanDerWaalsContact O-CB 3.27Å; L40-F44 WeakPolarHBondContact O-CB 3.44Å; L40-F44 WeakPolarHBondContact O-CD2 3.33Å; L40-F44 PolarHBondContact O-N 3.33Å; F44-H46 PolarHBondContact O-N 2.7Å; F44-E47 PolarHBondContact O-N 3.25Å; F44-E47 VanDerWaalsContact O-N 3.14Å; F44-C48 WeakPolarHBondContact O-CA 3.49Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.49Å; F44-C48 PolarHBondContact O-SG 2.92Å
45	C	45.1	Very low	45.6	Very low	45 Å²	45	101.2 Å²	101.2	30%	0.304	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-25.8	175	-159.5	0	0	0	0	111.9	I41 K43 R218	I41-C45 WeakPolarHBondContact O-CA 3.5Å; I41-C45 WeakPolarHBondContact O-CB 3.44Å; I41-C45 PolarHBondContact O-N 2.77Å; K43-C45 VanDerWaalsContact C-N 3.34Å; K43-C45 PolarHBondContact O-N 3.29Å; C45-R218 PolarHBondContact O-NH2 3.36Å; C45-R218 PolarHBondContact SG-NH1 3.22Å; C45-R218 PolarHBondContact SG-NH2 2.59Å; C45-R218 VanDerWaalsContact SG-NH2 3.41Å
46	H	42.5	Very low	45.2	Very low	169 Å²	169	106 Å²	106	78%	0.782	51%	0.508	S	S	*	.	H	α-helix	trans	-76.4	-26.2	172.9	-155.8	-75.1	0	0	0	113.3	C42 K43 F44	C42-H46 WeakPolarHBondContact O-CB 3.48Å; C42-H46 PolarHBondContact O-N 3.38Å; C42-H46 VanDerWaalsContact O-N 3.08Å; K43-H46 WeakPolarHBondContact O-CB 3.39Å; K43-H46 PolarHBondContact O-N 2.82Å; K43-H46 VanDerWaalsContact O-N 3.15Å; F44-H46 PolarHBondContact O-N 2.7Å
47	E	45.7	Very low	44.6	Very low	134 Å²	134	104.9 Å²	104.9	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-109.4	-19.7	-175.6	-71.6	177.9	177	0	0	114.4	K43 F44	K43-E47 PolarHBondContact O-N 3.33Å; F44-E47 PolarHBondContact O-N 3.25Å; F44-E47 VanDerWaalsContact O-N 3.14Å
48	C	43.9	Very low	44.2	Very low	33 Å²	33	108 Å²	108	22%	0.223	51%	0.514	C	S	.	.			trans	-100.9	100.5	-170.3	-60.5	0	0	0	0	112.4	F44 Q53	F44-C48 WeakPolarHBondContact O-CA 3.49Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.49Å; F44-C48 PolarHBondContact O-SG 2.92Å; C48-Q53 HydrophobicContact CB-CB 4.14Å; C48-Q53 PolarHBondContact SG-OE1 3.15Å
49	K	49.2	Very low	43.8	Very low	211 Å²	211	111.6 Å²	111.6	92%	0.917	53%	0.531	S	S	*	.			trans	-83.5	-6.1	169.4	-89.2	-176.7	174.7	-179.2	0	114.4
50	N	47.6	Very low	43.3	Very low	119 Å²	119	109.1 Å²	109.1	64%	0.636	53%	0.531	S	S	*	.	S	Bend	trans	-124.8	132.8	-168.9	-90.6	-25.7	0	0	0	114.3	N52 Q53	N50-N52 PolarHBondContact O-N 3.49Å; N50-Q53 PolarHBondContact O-N 2.84Å
51	I	49	Very low	43.1	Very low	150 Å²	150	107 Å²	107	77%	0.769	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-52	-27.8	178	-66.3	168.4	0	0	0	112.9	Q53 Y54	I51-Q53 PolarHBondContact O-N 2.8Å; I51-Y54 WeakPolarHBondContact O-CB 3.32Å; I51-Y54 PolarHBondContact O-N 3.44Å
52	N	41.3	Very low	42.5	Very low	116 Å²	116	108.3 Å²	108.3	62%	0.62	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-67.5	-18	179.4	-75.4	-25.3	0	0	0	114.3	N50 K55	N50-N52 PolarHBondContact O-N 3.49Å; N52-K55 PolarHBondContact O-N 2.87Å
53	Q	43	Very low	42.2	Very low	92 Å²	92	108.8 Å²	108.8	43%	0.43	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-81.1	-15.7	175.5	-74.3	173.1	-42.5	0	0	113.2	C48 N50 I51 K55 W56 Y57	C48-Q53 HydrophobicContact CB-CB 4.14Å; C48-Q53 PolarHBondContact SG-OE1 3.15Å; N50-Q53 PolarHBondContact O-N 2.84Å; I51-Q53 PolarHBondContact O-N 2.8Å; Q53-K55 PolarHBondContact O-N 3.11Å; Q53-W56 PolarHBondContact O-N 3.06Å; Q53-Y57 PolarHBondContact O-N 3.4Å
54	Y	41.8	Very low	42.3	Very low	145 Å²	145	103.4 Å²	103.4	57%	0.569	51%	0.508	S	S	*	.	H	α-helix	trans	-65.9	-21.4	168.7	-97.4	-95.4	0	0	0	113.1	I51 W56 Y57 L58	I51-Y54 WeakPolarHBondContact O-CB 3.32Å; I51-Y54 PolarHBondContact O-N 3.44Å; Y54-W56 VanDerWaalsContact C-N 3.35Å; Y54-Y57 HydrophobicContact CD1-CD1 4.23Å; Y54-Y57 VanDerWaalsContact O-CB 3.31Å; Y54-Y57 WeakPolarHBondContact O-CB 3.3Å; Y54-Y57 PolarHBondContact O-N 3.42Å; Y54-L58 PolarHBondContact O-N 3Å; Y54-L58 VanDerWaalsContact O-N 3.15Å
55	K	37.4	Very low	42.3	Very low	142 Å²	142	100.9 Å²	100.9	62%	0.617	50%	0.503	S	S	*	.	H	α-helix	trans	-65.9	-39.3	174.3	-73.8	-176.4	175.1	178.3	0	111.7	N52 Q53 Y57 L58 I59	N52-K55 PolarHBondContact O-N 2.87Å; Q53-K55 PolarHBondContact O-N 3.11Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 2.99Å; K55-L58 PolarHBondContact O-N 3.3Å; K55-I59 WeakPolarHBondContact O-CD1 2.82Å; K55-I59 VanDerWaalsContact O-CG1 3.28Å; K55-I59 WeakPolarHBondContact O-CG1 3.04Å; K55-I59 PolarHBondContact O-N 3.16Å; K55-I59 VanDerWaalsContact O-N 3.12Å
56	W	38.8	Very low	41.8	Very low	188 Å²	188	102.8 Å²	102.8	71%	0.712	51%	0.51	S	S	*	.	H	α-helix	trans	-67.9	-33.3	175.6	-65.8	103.7	0	0	0	112	Q53 Y54 I59 G60	Q53-W56 PolarHBondContact O-N 3.06Å; Y54-W56 VanDerWaalsContact C-N 3.35Å; W56-I59 HydrophobicContact CE3-CD1 4.36Å; W56-I59 PolarHBondContact O-N 3.03Å; W56-G60 PolarHBondContact O-N 2.98Å; W56-G60 VanDerWaalsContact O-N 3.07Å
57	Y	39.3	Very low	41.9	Very low	65 Å²	65	99.1 Å²	99.1	26%	0.255	50%	0.495	S	S	.	.	H	α-helix	trans	-59.6	-43.9	172	-179.6	-101	0	0	0	112.1	I41 Q53 Y54 K55 G60 L61	I41-Y57 HydrophobicContact CD1-CE2 3.89Å; I41-Y57 WeakPolarHBondContact CD1-OH 3.21Å; I41-Y57 HydrophobicContact CG1-CD2 4.38Å; I41-Y57 HydrophobicContact CG1-CE2 3.42Å; I41-Y57 VanDerWaalsContact CG1-CE2 3.42Å; Q53-Y57 PolarHBondContact O-N 3.4Å; Y54-Y57 HydrophobicContact CD1-CD1 4.23Å; Y54-Y57 VanDerWaalsContact O-CB 3.31Å; Y54-Y57 WeakPolarHBondContact O-CB 3.3Å; Y54-Y57 PolarHBondContact O-N 3.42Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 2.99Å; Y57-G60 PolarHBondContact O-N 3Å; Y57-L61 HydrophobicContact CD1-CD1 3.86Å; Y57-L61 HydrophobicContact CD2-CD1 4.17Å; Y57-L61 HydrophobicContact CE1-CD1 3.42Å; Y57-L61 VanDerWaalsContact CE1-CD1 3.42Å; Y57-L61 HydrophobicContact CE2-CD1 3.73Å; Y57-L61 HydrophobicContact CG-CD1 4.22Å; Y57-L61 PolarHBondContact O-N 3.49Å
58	L	42.2	Very low	41.8	Very low	101 Å²	101	93.7 Å²	93.7	53%	0.529	47%	0.469	S	S	.	.	H	α-helix	trans	-67.5	-37.2	176.2	-146.4	81.4	0	0	0	112.3	Y54 K55 G60 L61 I62	Y54-L58 PolarHBondContact O-N 3Å; Y54-L58 VanDerWaalsContact O-N 3.15Å; K55-L58 PolarHBondContact O-N 3.3Å; L58-G60 VanDerWaalsContact C-N 3.33Å; L58-G60 PolarHBondContact O-N 3.34Å; L58-L61 PolarHBondContact O-N 2.88Å; L58-I62 WeakPolarHBondContact O-CD1 3.33Å; L58-I62 VanDerWaalsContact O-CG1 3.31Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.82Å
59	I	39.2	Very low	41.7	Very low	100 Å²	100	95.4 Å²	95.4	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-69	-30.1	-179.5	-67.5	164.2	0	0	0	111.9	K55 W56 P63	K55-I59 WeakPolarHBondContact O-CD1 2.82Å; K55-I59 VanDerWaalsContact O-CG1 3.28Å; K55-I59 WeakPolarHBondContact O-CG1 3.04Å; K55-I59 PolarHBondContact O-N 3.16Å; K55-I59 VanDerWaalsContact O-N 3.12Å; W56-I59 HydrophobicContact CE3-CD1 4.36Å; W56-I59 PolarHBondContact O-N 3.03Å; I59-P63 WeakPolarHBondContact O-CD 3.41Å
60	G	37.8	Very low	41.2	Very low	51 Å²	51	90 Å²	90	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-79.7	-26.1	175.2	0	0	0	0	0	115	W56 Y57 L58 P63	W56-G60 PolarHBondContact O-N 2.98Å; W56-G60 VanDerWaalsContact O-N 3.07Å; Y57-G60 PolarHBondContact O-N 3Å; L58-G60 VanDerWaalsContact C-N 3.33Å; L58-G60 PolarHBondContact O-N 3.34Å; G60-P63 WeakPolarHBondContact O-CD 3.25Å
61	L	45.6	Very low	41.2	Very low	36 Å²	36	86.4 Å²	86.4	19%	0.188	44%	0.443	C	S	.	.	H	α-helix	trans	-84.2	-20.6	-179.3	-99.9	142.8	0	0	0	114.1	Y57 L58 S64 S65 T99	Y57-L61 HydrophobicContact CD1-CD1 3.86Å; Y57-L61 HydrophobicContact CD2-CD1 4.17Å; Y57-L61 HydrophobicContact CE1-CD1 3.42Å; Y57-L61 VanDerWaalsContact CE1-CD1 3.42Å; Y57-L61 HydrophobicContact CE2-CD1 3.73Å; Y57-L61 HydrophobicContact CG-CD1 4.22Å; Y57-L61 PolarHBondContact O-N 3.49Å; L58-L61 PolarHBondContact O-N 2.88Å; L61-S64 PolarHBondContact O-OG 2.92Å; L61-S65 PolarHBondContact O-N 3.25Å; L61-T99 HydrophobicContact CD2-CG2 3.51Å
62	I	36.8	Very low	40.9	Very low	86 Å²	86	81.7 Å²	81.7	44%	0.441	42%	0.418	S	S	.	.	H	α-helix	trans	-68.9	-46.8	176.2	-68.5	162.6	0	0	0	111.4	L58 S64 S65 I66	L58-I62 WeakPolarHBondContact O-CD1 3.33Å; L58-I62 VanDerWaalsContact O-CG1 3.31Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.82Å; I62-S64 VanDerWaalsContact C-N 3.29Å; I62-S64 PolarHBondContact O-N 3.38Å; I62-S65 PolarHBondContact O-N 3.24Å; I62-S65 PolarHBondContact O-OG 3.47Å; I62-I66 HydrophobicContact CG2-CD1 3.68Å; I62-I66 HydrophobicContact CG2-CG1 4.49Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.15Å; I62-I66 PolarHBondContact O-N 3.35Å; I62-I66 VanDerWaalsContact O-N 3.17Å
63	P	36.1	Very low	40.7	Very low	63 Å²	63	80.6 Å²	80.6	41%	0.409	42%	0.416	S	S	.	.	H	α-helix	trans	-57.7	-36.9	175.6	-24.9	31.7	0	0	0	113.8	I59 G60 I66 I67	I59-P63 WeakPolarHBondContact O-CD 3.41Å; G60-P63 WeakPolarHBondContact O-CD 3.25Å; P63-I66 PolarHBondContact O-N 2.93Å; P63-I67 WeakPolarHBondContact O-CB 3.3Å; P63-I67 WeakPolarHBondContact O-CG1 3.47Å; P63-I67 PolarHBondContact O-N 3.36Å
64	S	41.8	Very low	40.5	Very low	16 Å²	16	81.7 Å²	81.7	11%	0.112	42%	0.423	C	S	.	.	H	α-helix	trans	-66.8	-45.5	-179.4	61.6	0	0	0	0	112	E33 L61 I62 I66 I67 F68	E33-S64 WeakPolarHBondContact OE1-CB 3.28Å; L61-S64 PolarHBondContact O-OG 2.92Å; I62-S64 VanDerWaalsContact C-N 3.29Å; I62-S64 PolarHBondContact O-N 3.38Å; S64-I66 VanDerWaalsContact C-N 3.25Å; S64-I66 PolarHBondContact O-N 3.18Å; S64-I67 PolarHBondContact O-N 3.3Å; S64-F68 WeakPolarHBondContact O-CB 3.35Å; S64-F68 PolarHBondContact O-N 3.42Å
65	S	43.7	Very low	40.6	Very low	56 Å²	56	76.7 Å²	76.7	39%	0.392	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-33	174.9	74.1	0	0	0	0	112.9	L61 I62 S69	L61-S65 PolarHBondContact O-N 3.25Å; I62-S65 PolarHBondContact O-N 3.24Å; I62-S65 PolarHBondContact O-OG 3.47Å; S65-S69 VanDerWaalsContact O-CB 3.29Å; S65-S69 WeakPolarHBondContact O-CB 3.34Å; S65-S69 PolarHBondContact O-N 2.84Å; S65-S69 PolarHBondContact O-OG 3.4Å
66	I	36.2	Very low	40.7	Very low	86 Å²	86	78.6 Å²	78.6	44%	0.441	41%	0.411	S	S	.	.	H	α-helix	trans	-74.9	-44.8	177.6	-66	168.8	0	0	0	110.7	I62 P63 S64 F68 S69 L70	I62-I66 HydrophobicContact CG2-CD1 3.68Å; I62-I66 HydrophobicContact CG2-CG1 4.49Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.15Å; I62-I66 PolarHBondContact O-N 3.35Å; I62-I66 VanDerWaalsContact O-N 3.17Å; P63-I66 PolarHBondContact O-N 2.93Å; S64-I66 VanDerWaalsContact C-N 3.25Å; S64-I66 PolarHBondContact O-N 3.18Å; I66-F68 VanDerWaalsContact C-N 3.28Å; I66-F68 PolarHBondContact O-N 2.87Å; I66-S69 PolarHBondContact O-N 3.17Å; I66-L70 HydrophobicContact CG2-CD1 4.02Å; I66-L70 WeakPolarHBondContact O-CB 2.93Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 2.83Å
67	I	42.9	Very low	40.7	Very low	92 Å²	92	77 Å²	77	47%	0.472	42%	0.416	S	S	.	.	H	α-helix	trans	-61.3	-40.5	174.5	-68.6	165.1	0	0	0	109.9	P63 S64 L70 L71	P63-I67 WeakPolarHBondContact O-CB 3.3Å; P63-I67 WeakPolarHBondContact O-CG1 3.47Å; P63-I67 PolarHBondContact O-N 3.36Å; S64-I67 PolarHBondContact O-N 3.3Å; I67-L70 PolarHBondContact O-N 2.82Å; I67-L71 HydrophobicContact CG2-CD1 4.12Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 PolarHBondContact O-N 3.3Å
68	F	45	Very low	40.8	Very low	19 Å²	19	78.7 Å²	78.7	8%	0.083	43%	0.428	C	S	.	.	H	α-helix	trans	-64.7	-41.7	174.1	-104.8	-90.4	0	0	0	113.3	P30 E33 S64 I66 L70 L71 M72	P30-F68 HydrophobicContact CB-CE1 3.94Å; P30-F68 HydrophobicContact CB-CE2 4.2Å; P30-F68 HydrophobicContact CB-CZ 3.32Å; P30-F68 HydrophobicContact CG-CE1 3.84Å; P30-F68 HydrophobicContact CG-CZ 3.42Å; P30-F68 VanDerWaalsContact CG-CZ 3.42Å; E33-F68 VanDerWaalsContact OE2-CE2 3.25Å; E33-F68 WeakPolarHBondContact OE2-CE2 3.42Å; S64-F68 WeakPolarHBondContact O-CB 3.35Å; S64-F68 PolarHBondContact O-N 3.42Å; I66-F68 VanDerWaalsContact C-N 3.28Å; I66-F68 PolarHBondContact O-N 2.87Å; F68-L70 VanDerWaalsContact C-N 3.33Å; F68-L71 PolarHBondContact O-N 3.02Å; F68-M72 WeakPolarHBondContact O-CB 3.19Å; F68-M72 PolarHBondContact O-N 3.31Å
69	S	41.8	Very low	40.7	Very low	70 Å²	70	81.5 Å²	81.5	49%	0.49	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-38.1	175.9	-63.4	0	0	0	0	111.2	S65 I66 M72 V73	S65-S69 VanDerWaalsContact O-CB 3.29Å; S65-S69 WeakPolarHBondContact O-CB 3.34Å; S65-S69 PolarHBondContact O-N 2.84Å; S65-S69 PolarHBondContact O-OG 3.4Å; I66-S69 PolarHBondContact O-N 3.17Å; S69-M72 WeakPolarHBondContact O-CB 3.38Å; S69-M72 PolarHBondContact O-N 2.79Å; S69-V73 WeakPolarHBondContact O-CG2 3.27Å; S69-V73 PolarHBondContact O-N 3.15Å
70	L	38.6	Very low	40.8	Very low	98 Å²	98	81.6 Å²	81.6	51%	0.513	45%	0.447	S	S	.	.	H	α-helix	trans	-65.8	-43.5	173.1	-78.6	162.5	0	0	0	111.5	I66 I67 F68 M72 V73 I74	I66-L70 HydrophobicContact CG2-CD1 4.02Å; I66-L70 WeakPolarHBondContact O-CB 2.93Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 2.83Å; I67-L70 PolarHBondContact O-N 2.82Å; F68-L70 VanDerWaalsContact C-N 3.33Å; L70-M72 VanDerWaalsContact C-N 3.31Å; L70-M72 PolarHBondContact O-N 3.31Å; L70-V73 PolarHBondContact O-N 2.85Å; L70-I74 WeakPolarHBondContact O-CD1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.29Å; L70-I74 PolarHBondContact O-N 2.94Å
71	L	46.7	Very low	41.2	Very low	42 Å²	42	90 Å²	90	22%	0.22	46%	0.463	C	S	.	.	H	α-helix	trans	-60	-41.2	172	-105.8	139	0	0	0	111.6	V26 L29 I67 F68 V73 I74 V75	V26-L71 HydrophobicContact CG2-CD2 3.95Å; L29-L71 HydrophobicContact CD2-CD1 4.31Å; I67-L71 HydrophobicContact CG2-CD1 4.12Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 PolarHBondContact O-N 3.3Å; F68-L71 PolarHBondContact O-N 3.02Å; L71-V73 PolarHBondContact O-N 2.96Å; L71-I74 PolarHBondContact O-N 3.47Å; L71-V75 WeakPolarHBondContact O-CB 3.04Å; L71-V75 VanDerWaalsContact O-CG2 3.24Å; L71-V75 WeakPolarHBondContact O-CG2 3.23Å; L71-V75 PolarHBondContact O-N 3.22Å
72	M	42.6	Very low	41.2	Very low	51 Å²	51	92.9 Å²	92.9	25%	0.251	47%	0.474	S	S	.	.	H	α-helix	trans	-61.2	-40.3	173.5	-87.8	-110.5	-83.5	0	0	112.4	F68 S69 L70 R76 F88 L89	F68-M72 WeakPolarHBondContact O-CB 3.19Å; F68-M72 PolarHBondContact O-N 3.31Å; S69-M72 WeakPolarHBondContact O-CB 3.38Å; S69-M72 PolarHBondContact O-N 2.79Å; L70-M72 VanDerWaalsContact C-N 3.31Å; L70-M72 PolarHBondContact O-N 3.31Å; M72-R76 VanDerWaalsContact O-CB 3.27Å; M72-R76 WeakPolarHBondContact O-CB 3.47Å; M72-R76 PolarHBondContact O-N 3.45Å; M72-F88 HydrophobicContact SD-CB 3.74Å; M72-L89 HydrophobicContact CE-CD1 4.49Å
73	V	37.5	Very low	41.8	Very low	93 Å²	93	90 Å²	90	56%	0.564	46%	0.461	S	S	*	.	H	α-helix	trans	-67.4	-42.6	175.4	172.4	0	0	0	0	110.9	S69 L70 L71 V75 R76 D77	S69-V73 WeakPolarHBondContact O-CG2 3.27Å; S69-V73 PolarHBondContact O-N 3.15Å; L70-V73 PolarHBondContact O-N 2.85Å; L71-V73 PolarHBondContact O-N 2.96Å; V73-V75 VanDerWaalsContact C-N 3.33Å; V73-V75 PolarHBondContact O-N 3.41Å; V73-R76 WeakPolarHBondContact O-CB 3.29Å; V73-R76 PolarHBondContact O-N 2.92Å; V73-D77 PolarHBondContact O-N 3.36Å
74	I	39	Very low	42.4	Very low	116 Å²	116	88.6 Å²	88.6	60%	0.595	45%	0.449	S	S	*	.	H	α-helix	trans	-64.1	-38.3	177.2	-66.6	163.3	0	0	0	111.2	L70 L71	L70-I74 WeakPolarHBondContact O-CD1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.29Å; L70-I74 PolarHBondContact O-N 2.94Å; L71-I74 PolarHBondContact O-N 3.47Å
75	V	43.6	Very low	42.6	Very low	39 Å²	39	90.3 Å²	90.3	24%	0.236	46%	0.458	C	S	.	.	H	α-helix	trans	-77.3	-28.2	175.6	175.7	0	0	0	0	111.7	L71 V73 D77 M78	L71-V75 WeakPolarHBondContact O-CB 3.04Å; L71-V75 VanDerWaalsContact O-CG2 3.24Å; L71-V75 WeakPolarHBondContact O-CG2 3.23Å; L71-V75 PolarHBondContact O-N 3.22Å; V73-V75 VanDerWaalsContact C-N 3.33Å; V73-V75 PolarHBondContact O-N 3.41Å; V75-D77 VanDerWaalsContact C-N 3.27Å; V75-D77 PolarHBondContact O-N 2.81Å; V75-M78 CarbonylContact O-C 3.59Å; V75-M78 WeakPolarHBondContact O-CA 3.5Å; V75-M78 VanDerWaalsContact O-CB 3.31Å; V75-M78 WeakPolarHBondContact O-CB 3.14Å; V75-M78 PolarHBondContact O-N 2.95Å
76	R	38.9	Very low	42.7	Very low	183 Å²	183	94.9 Å²	94.9	69%	0.691	47%	0.467	S	S	*	.	H	α-helix	trans	-63.4	-32.8	176.4	-126.9	178.8	171.2	-178.5	-2.9	112.9	M72 V73 M78	M72-R76 VanDerWaalsContact O-CB 3.27Å; M72-R76 WeakPolarHBondContact O-CB 3.47Å; M72-R76 PolarHBondContact O-N 3.45Å; V73-R76 WeakPolarHBondContact O-CB 3.29Å; V73-R76 PolarHBondContact O-N 2.92Å; R76-M78 PolarHBondContact O-N 3.2Å
77	D	39.4	Very low	43.4	Very low	153 Å²	153	91.2 Å²	91.2	82%	0.818	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.8	173.4	-117.8	-3.9	0	0	0	111.9	V73 V75 R79	V73-D77 PolarHBondContact O-N 3.36Å; V75-D77 VanDerWaalsContact C-N 3.27Å; V75-D77 PolarHBondContact O-N 2.81Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 3.38Å
78	M	41.2	Very low	43.7	Very low	101 Å²	101	87.9 Å²	87.9	50%	0.498	43%	0.431	S	S	.	.	S	Bend	trans	-86.9	71	175.6	-59.6	-92.8	-85.3	0	0	110.2	K22 V75 R76	K22-M78 HydrophobicContact CD-CE 4.16Å; V75-M78 CarbonylContact O-C 3.59Å; V75-M78 WeakPolarHBondContact O-CA 3.5Å; V75-M78 VanDerWaalsContact O-CB 3.31Å; V75-M78 WeakPolarHBondContact O-CB 3.14Å; V75-M78 PolarHBondContact O-N 2.95Å; R76-M78 PolarHBondContact O-N 3.2Å
79	R	40.7	Very low	44	Very low	161 Å²	161	91.6 Å²	91.6	61%	0.608	45%	0.451	S	S	*	.			trans	73.8	105.4	165.2	-57.1	-179.5	-180	177.4	3.3	116.8	D77 R81	D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 3.38Å; R79-R81 PolarHBondContact O-N 2.82Å
80	A	40.6	Very low	44.4	Very low	101 Å²	101	89.7 Å²	89.7	84%	0.835	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	23.8	164.7	0	0	0	0	0	116.9
81	R	47.2	Very low	45.2	Very low	229 Å²	229	87.6 Å²	87.6	86%	0.864	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-7.1	-175.2	-72.2	-173.2	-175	179.7	1.5	115.2	R79	R79-R81 PolarHBondContact O-N 2.82Å
82	F	45.9	Very low	45.3	Very low	95 Å²	95	87 Å²	87	42%	0.417	42%	0.42	S	S	.	.			trans	-103.5	139	-174.2	-92.9	-92.4	0	0	0	114.1	L84 I193	F82-L84 HydrophobicContact CB-CB 4.13Å; F82-L84 HydrophobicContact CB-CD1 4.05Å; F82-L84 HydrophobicContact CB-CG 4.35Å; F82-L84 HydrophobicContact CD1-CD1 4Å; F82-L84 HydrophobicContact CG-CD1 4.2Å; F82-L84 PolarHBondContact O-N 3.36Å; F82-I193 HydrophobicContact CD1-CD1 3.9Å; F82-I193 HydrophobicContact CE1-CD1 3.73Å
83	P	48.9	Very low	45.7	Very low	26 Å²	26	87.8 Å²	87.8	17%	0.169	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-5.4	170.9	27.1	-33.6	0	0	0	113.5	N85 Y86 V87 M131	P83-N85 PolarHBondContact O-N 3.36Å; P83-Y86 WeakPolarHBondContact O-CB 3.18Å; P83-Y86 PolarHBondContact O-N 3.44Å; P83-V87 PolarHBondContact O-N 3.33Å; P83-M131 HydrophobicContact CB-CG 4.08Å; P83-M131 HydrophobicContact CB-SD 4.36Å; P83-M131 HydrophobicContact CG-CG 4.42Å; P83-M131 HydrophobicContact CG-SD 4.36Å
84	L	48.2	Very low	46.4	Very low	33 Å²	33	84.2 Å²	84.2	17%	0.173	41%	0.406	C	S	.	.	H	α-helix	trans	-52.3	-37	174.1	-81.6	160.5	0	0	0	112.9	F23 F82 Y86 V87 F88 I193	F23-L84 HydrophobicContact CE2-CD2 3.94Å; F82-L84 HydrophobicContact CB-CB 4.13Å; F82-L84 HydrophobicContact CB-CD1 4.05Å; F82-L84 HydrophobicContact CB-CG 4.35Å; F82-L84 HydrophobicContact CD1-CD1 4Å; F82-L84 HydrophobicContact CG-CD1 4.2Å; F82-L84 PolarHBondContact O-N 3.36Å; L84-Y86 PolarHBondContact O-N 3.45Å; L84-V87 PolarHBondContact O-N 3.29Å; L84-V87 VanDerWaalsContact O-N 3.13Å; L84-F88 HydrophobicContact CB-CD2 4.17Å; L84-F88 HydrophobicContact CB-CE2 4.15Å; L84-F88 HydrophobicContact CD2-CD2 4.5Å; L84-F88 HydrophobicContact CD2-CE2 3.89Å; L84-F88 WeakPolarHBondContact O-CB 3.29Å; L84-F88 WeakPolarHBondContact O-CD2 3.33Å; L84-F88 PolarHBondContact O-N 3.48Å; L84-I193 HydrophobicContact CD1-CD1 4.35Å
85	N	45.9	Very low	47.1	Very low	53 Å²	53	81.2 Å²	81.2	28%	0.283	39%	0.391	S	S	.	.	H	α-helix	trans	-59.6	-31.5	177	-74.8	-12.3	0	0	0	112.8	P83 L89	P83-N85 PolarHBondContact O-N 3.36Å; N85-L89 WeakPolarHBondContact O-CB 2.95Å; N85-L89 PolarHBondContact O-N 3.32Å
86	Y	46.7	Very low	47.5	Very low	151 Å²	151	83.6 Å²	83.6	59%	0.592	40%	0.402	S	S	*	.	H	α-helix	trans	-77.7	-37.6	176.6	-67.4	-83.5	0	0	0	112	P83 L84 F90	P83-Y86 WeakPolarHBondContact O-CB 3.18Å; P83-Y86 PolarHBondContact O-N 3.44Å; L84-Y86 PolarHBondContact O-N 3.45Å; Y86-F90 WeakPolarHBondContact O-CB 2.94Å; Y86-F90 PolarHBondContact O-N 3.47Å
87	V	49.7	Very low	47.9	Very low	10 Å²	10	77 Å²	77	6%	0.061	38%	0.383	C	S	.	.	H	α-helix	trans	-64.6	-44	174.7	178.2	0	0	0	0	110.4	P83 L84 F90 L91 I127 M131 V197	P83-V87 PolarHBondContact O-N 3.33Å; L84-V87 PolarHBondContact O-N 3.29Å; L84-V87 VanDerWaalsContact O-N 3.13Å; V87-F90 PolarHBondContact O-N 3.34Å; V87-L91 HydrophobicContact CG1-CD1 4.02Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 WeakPolarHBondContact O-CG 3.19Å; V87-L91 PolarHBondContact O-N 2.9Å; V87-I127 HydrophobicContact CG2-CG2 4.07Å; V87-M131 HydrophobicContact CG2-SD 4Å; V87-V197 HydrophobicContact CG1-CG2 3.7Å; V87-V197 HydrophobicContact CG2-CG2 4.29Å
88	F	49.1	Very low	48.5	Very low	22 Å²	22	71.6 Å²	71.6	10%	0.096	35%	0.352	C	S	.	.	H	α-helix	trans	-67	-43.5	176.1	-80.6	-66.1	0	0	0	112.6	V26 M72 L84 F90 L91 N92	V26-F88 HydrophobicContact CG1-CE1 3.41Å; V26-F88 VanDerWaalsContact CG1-CE1 3.41Å; V26-F88 HydrophobicContact CG1-CE2 4.42Å; V26-F88 HydrophobicContact CG1-CZ 3.3Å; M72-F88 HydrophobicContact SD-CB 3.74Å; L84-F88 HydrophobicContact CB-CD2 4.17Å; L84-F88 HydrophobicContact CB-CE2 4.15Å; L84-F88 HydrophobicContact CD2-CD2 4.5Å; L84-F88 HydrophobicContact CD2-CE2 3.89Å; L84-F88 WeakPolarHBondContact O-CB 3.29Å; L84-F88 WeakPolarHBondContact O-CD2 3.33Å; L84-F88 PolarHBondContact O-N 3.48Å; F88-F90 VanDerWaalsContact C-N 3.25Å; F88-F90 PolarHBondContact O-N 2.89Å; F88-L91 PolarHBondContact O-N 3.41Å; F88-N92 WeakPolarHBondContact O-CB 3.15Å; F88-N92 PolarHBondContact O-N 3.48Å; F88-N92 PolarHBondContact O-ND2 3.22Å
89	L	50.7	Low	48.8	Very low	97 Å²	97	68.3 Å²	68.3	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-41.6	174.6	-172.1	71.9	0	0	0	110.5	M72 N85 N92 T93	M72-L89 HydrophobicContact CE-CD1 4.49Å; N85-L89 WeakPolarHBondContact O-CB 2.95Å; N85-L89 PolarHBondContact O-N 3.32Å; L89-N92 PolarHBondContact O-N 3.37Å; L89-T93 WeakPolarHBondContact O-CB 3.39Å; L89-T93 PolarHBondContact O-N 3.13Å; L89-T93 PolarHBondContact O-OG1 2.86Å
90	F	52.2	Low	49.1	Very low	30 Å²	30	66 Å²	66	13%	0.132	33%	0.332	C	S	.	.	H	α-helix	trans	-66.7	-45.8	178	179.4	-115.8	0	0	0	113.5	Y86 V87 F88 N92 T93 L94 A123 F124 I127	Y86-F90 WeakPolarHBondContact O-CB 2.94Å; Y86-F90 PolarHBondContact O-N 3.47Å; V87-F90 PolarHBondContact O-N 3.34Å; F88-F90 VanDerWaalsContact C-N 3.25Å; F88-F90 PolarHBondContact O-N 2.89Å; F90-N92 VanDerWaalsContact C-N 3.29Å; F90-N92 PolarHBondContact O-N 2.68Å; F90-T93 PolarHBondContact O-N 2.93Å; F90-L94 HydrophobicContact CD1-CD1 3.87Å; F90-L94 HydrophobicContact CD1-CG 4.38Å; F90-L94 HydrophobicContact CD2-CG 4.33Å; F90-L94 HydrophobicContact CE1-CD1 3.3Å; F90-L94 HydrophobicContact CE1-CG 4.04Å; F90-L94 HydrophobicContact CE2-CD1 4.06Å; F90-L94 HydrophobicContact CE2-CD2 4.18Å; F90-L94 HydrophobicContact CE2-CG 3.91Å; F90-L94 HydrophobicContact CG-CD1 4.5Å; F90-L94 HydrophobicContact CZ-CD1 3.42Å; F90-L94 VanDerWaalsContact CZ-CD1 3.42Å; F90-L94 HydrophobicContact CZ-CD2 4.13Å; F90-L94 HydrophobicContact CZ-CG 3.79Å; F90-L94 WeakPolarHBondContact O-CB 2.89Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 3.46Å; F90-A123 HydrophobicContact CD2-CB 4.3Å; F90-A123 HydrophobicContact CE2-CB 3.2Å; F90-A123 HydrophobicContact CZ-CB 3.47Å; F90-A123 VanDerWaalsContact CZ-CB 3.47Å; F90-F124 HydrophobicContact CE1-CB 4.23Å; F90-F124 HydrophobicContact CE1-CD2 4.21Å; F90-F124 HydrophobicContact CZ-CB 4.45Å; F90-I127 HydrophobicContact CB-CD1 3.27Å; F90-I127 HydrophobicContact CD1-CD1 3.18Å; F90-I127 HydrophobicContact CD2-CD1 3.31Å; F90-I127 HydrophobicContact CE1-CD1 3.69Å; F90-I127 HydrophobicContact CE2-CD1 3.85Å; F90-I127 HydrophobicContact CG-CD1 2.93Å; F90-I127 HydrophobicContact CG-CG1 4.42Å; F90-I127 HydrophobicContact CZ-CD1 3.99Å
91	L	53.7	Low	49.4	Very low	53 Å²	53	63.6 Å²	63.6	28%	0.277	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-39.9	175.8	-74.7	168.5	0	0	0	111.1	V87 F88 L94 L95 L204	V87-L91 HydrophobicContact CG1-CD1 4.02Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 WeakPolarHBondContact O-CG 3.19Å; V87-L91 PolarHBondContact O-N 2.9Å; F88-L91 PolarHBondContact O-N 3.41Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 3.33Å; L91-L204 HydrophobicContact CD2-CD1 3.53Å
92	N	50	Low	49.3	Very low	29 Å²	29	56 Å²	56	16%	0.155	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-41.5	174.5	-78.5	-55.3	0	0	0	112.4	F88 L89 F90 L94 L95 L96	F88-N92 WeakPolarHBondContact O-CB 3.15Å; F88-N92 PolarHBondContact O-N 3.48Å; F88-N92 PolarHBondContact O-ND2 3.22Å; L89-N92 PolarHBondContact O-N 3.37Å; F90-N92 VanDerWaalsContact C-N 3.29Å; F90-N92 PolarHBondContact O-N 2.68Å; N92-L94 VanDerWaalsContact C-N 3.35Å; N92-L95 PolarHBondContact O-N 2.97Å; N92-L96 WeakPolarHBondContact O-CB 3.2Å; N92-L96 WeakPolarHBondContact O-CG 3.22Å; N92-L96 PolarHBondContact O-N 3.24Å
93	T	51.1	Low	49.1	Very low	68 Å²	68	54.2 Å²	54.2	42%	0.417	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-42.2	175.2	-60.3	0	0	0	0	111	L89 F90 L96 C97	L89-T93 WeakPolarHBondContact O-CB 3.39Å; L89-T93 PolarHBondContact O-N 3.13Å; L89-T93 PolarHBondContact O-OG1 2.86Å; F90-T93 PolarHBondContact O-N 2.93Å; T93-L96 PolarHBondContact O-N 2.85Å; T93-C97 WeakPolarHBondContact O-CB 3.35Å; T93-C97 PolarHBondContact O-N 2.93Å; T93-C97 PolarHBondContact O-SG 3.16Å
94	L	52	Low	48.8	Very low	19 Å²	19	59 Å²	59	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-44.7	173.5	-76.9	-176.4	0	0	0	111.3	F90 L91 N92 L96 C97 Y98 F116 T120	F90-L94 HydrophobicContact CD1-CD1 3.87Å; F90-L94 HydrophobicContact CD1-CG 4.38Å; F90-L94 HydrophobicContact CD2-CG 4.33Å; F90-L94 HydrophobicContact CE1-CD1 3.3Å; F90-L94 HydrophobicContact CE1-CG 4.04Å; F90-L94 HydrophobicContact CE2-CD1 4.06Å; F90-L94 HydrophobicContact CE2-CD2 4.18Å; F90-L94 HydrophobicContact CE2-CG 3.91Å; F90-L94 HydrophobicContact CG-CD1 4.5Å; F90-L94 HydrophobicContact CZ-CD1 3.42Å; F90-L94 VanDerWaalsContact CZ-CD1 3.42Å; F90-L94 HydrophobicContact CZ-CD2 4.13Å; F90-L94 HydrophobicContact CZ-CG 3.79Å; F90-L94 WeakPolarHBondContact O-CB 2.89Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 3.46Å; L91-L94 PolarHBondContact O-N 3.36Å; N92-L94 VanDerWaalsContact C-N 3.35Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.44Å; L94-C97 PolarHBondContact O-N 3.49Å; L94-Y98 WeakPolarHBondContact O-CB 3.48Å; L94-Y98 VanDerWaalsContact O-CD2 3.3Å; L94-Y98 WeakPolarHBondContact O-CD2 3.45Å; L94-Y98 PolarHBondContact O-N 2.9Å; L94-F116 HydrophobicContact CD2-CZ 4.22Å; L94-T120 HydrophobicContact CD1-CG2 4.01Å; L94-T120 HydrophobicContact CD2-CG2 3.3Å; L94-T120 HydrophobicContact CG-CG2 4.28Å
95	L	53.4	Low	48.5	Very low	52 Å²	52	61.4 Å²	61.4	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-39.9	177.7	-166.3	73.2	0	0	0	112	M34 L91 N92 Y98 T99	M34-L95 HydrophobicContact CG-CD1 3.85Å; M34-L95 HydrophobicContact SD-CD1 3.73Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 3.33Å; N92-L95 PolarHBondContact O-N 2.97Å; L95-Y98 WeakPolarHBondContact O-CB 3.41Å; L95-Y98 PolarHBondContact O-N 3.33Å; L95-T99 WeakPolarHBondContact O-CB 3.46Å; L95-T99 WeakPolarHBondContact O-CG2 3.4Å; L95-T99 PolarHBondContact O-N 3Å; L95-T99 PolarHBondContact O-OG1 2.84Å
96	L	51.5	Low	48.5	Very low	90 Å²	90	66.9 Å²	66.9	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-49.3	172.2	-78.6	162.1	0	0	0	110.6	N92 T93 L94 Y98 T99 F100	N92-L96 WeakPolarHBondContact O-CB 3.2Å; N92-L96 WeakPolarHBondContact O-CG 3.22Å; N92-L96 PolarHBondContact O-N 3.24Å; T93-L96 PolarHBondContact O-N 2.85Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.44Å; L96-Y98 PolarHBondContact O-N 2.9Å; L96-T99 WeakPolarHBondContact CA-OG1 3.34Å; L96-T99 PolarHBondContact O-N 3.29Å; L96-T99 VanDerWaalsContact O-N 3.15Å; L96-T99 PolarHBondContact O-OG1 3.23Å; L96-F100 HydrophobicContact CD2-CD2 4.19Å; L96-F100 HydrophobicContact CD2-CE2 3.69Å; L96-F100 VanDerWaalsContact O-CD2 3.23Å; L96-F100 WeakPolarHBondContact O-CD2 3.49Å; L96-F100 PolarHBondContact O-N 3.44Å
97	C	48.5	Very low	48.5	Very low	45 Å²	45	67.1 Å²	67.1	30%	0.304	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-38.6	175.5	-66.3	0	0	0	0	111.8	T93 L94 T99 I101 F116	T93-C97 WeakPolarHBondContact O-CB 3.35Å; T93-C97 PolarHBondContact O-N 2.93Å; T93-C97 PolarHBondContact O-SG 3.16Å; L94-C97 PolarHBondContact O-N 3.49Å; C97-T99 PolarHBondContact O-N 2.87Å; C97-I101 HydrophobicContact CB-CD1 3.75Å; C97-I101 WeakPolarHBondContact O-CB 3.39Å; C97-I101 WeakPolarHBondContact O-CD1 3.45Å; C97-I101 WeakPolarHBondContact O-CG1 3.42Å; C97-I101 PolarHBondContact O-N 2.85Å; C97-F116 HydrophobicContact CB-CE2 3.63Å; C97-F116 HydrophobicContact CB-CZ 4.05Å
98	Y	50.3	Low	48.4	Very low	39 Å²	39	72.1 Å²	72.1	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-35.3	175.3	-105	-82.9	0	0	0	114.7	L94 L95 L96 P102 F116 Y208	L94-Y98 WeakPolarHBondContact O-CB 3.48Å; L94-Y98 VanDerWaalsContact O-CD2 3.3Å; L94-Y98 WeakPolarHBondContact O-CD2 3.45Å; L94-Y98 PolarHBondContact O-N 2.9Å; L95-Y98 WeakPolarHBondContact O-CB 3.41Å; L95-Y98 PolarHBondContact O-N 3.33Å; L96-Y98 PolarHBondContact O-N 2.9Å; Y98-P102 WeakPolarHBondContact O-CD 3.37Å; Y98-P102 WeakPolarHBondContact O-CG 3.27Å; Y98-F116 AromaticContact CD2-CE1 3.72Å; Y98-F116 HydrophobicContact CD2-CE1 3.72Å; Y98-F116 AromaticContact CD2-CZ 3.71Å; Y98-F116 HydrophobicContact CD2-CZ 3.71Å; Y98-F116 HydrophobicContact CE2-CD1 4.4Å; Y98-F116 AromaticContact CE2-CE1 3.28Å; Y98-F116 HydrophobicContact CE2-CE1 3.28Å; Y98-F116 AromaticContact CE2-CZ 3.76Å; Y98-F116 HydrophobicContact CE2-CZ 3.76Å; Y98-F116 HydrophobicContact CG-CZ 4.48Å; Y98-F116 AromaticContact CZ-CE1 3.72Å; Y98-Y208 AromaticContact CE1-CD2 3.36Å; Y98-Y208 HydrophobicContact CE1-CD2 3.36Å; Y98-Y208 AromaticContact CE1-CE2 3.89Å; Y98-Y208 HydrophobicContact CE1-CE2 3.89Å; Y98-Y208 HydrophobicContact CE1-CG 4.2Å; Y98-Y208 AromaticContact CZ-CD2 3.49Å; Y98-Y208 VanDerWaalsContact CZ-CD2 3.49Å; Y98-Y208 AromaticContact CZ-CG 3.93Å; Y98-Y208 WeakPolarHBondContact OH-CB 3.33Å; Y98-Y208 WeakPolarHBondContact OH-CD2 3.43Å
99	T	48.7	Very low	48.4	Very low	32 Å²	32	73.1 Å²	73.1	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-83.6	-29.3	-176.7	42.4	0	0	0	0	111.7	L61 L95 L96 C97 P103	L61-T99 HydrophobicContact CD2-CG2 3.51Å; L95-T99 WeakPolarHBondContact O-CB 3.46Å; L95-T99 WeakPolarHBondContact O-CG2 3.4Å; L95-T99 PolarHBondContact O-N 3Å; L95-T99 PolarHBondContact O-OG1 2.84Å; L96-T99 WeakPolarHBondContact CA-OG1 3.34Å; L96-T99 PolarHBondContact O-N 3.29Å; L96-T99 VanDerWaalsContact O-N 3.15Å; L96-T99 PolarHBondContact O-OG1 3.23Å; C97-T99 PolarHBondContact O-N 2.87Å; T99-P103 VanDerWaalsContact O-CD 3.3Å; T99-P103 WeakPolarHBondContact O-CD 3.48Å; T99-P103 WeakPolarHBondContact O-CG 3.32Å
100	F	46.8	Very low	48.1	Very low	112 Å²	112	73.9 Å²	73.9	49%	0.491	38%	0.383	S	S	.	.	H	α-helix	trans	-96.6	-30.5	-177.9	-74.1	-76.7	0	0	0	114.6	L96 P103 I104	L96-F100 HydrophobicContact CD2-CD2 4.19Å; L96-F100 HydrophobicContact CD2-CE2 3.69Å; L96-F100 VanDerWaalsContact O-CD2 3.23Å; L96-F100 WeakPolarHBondContact O-CD2 3.49Å; L96-F100 PolarHBondContact O-N 3.44Å; F100-P103 WeakPolarHBondContact O-CD 3.42Å; F100-I104 HydrophobicContact CB-CD1 4.29Å; F100-I104 WeakPolarHBondContact O-CB 3.44Å; F100-I104 VanDerWaalsContact O-CD1 3.25Å; F100-I104 WeakPolarHBondContact O-CD1 3.35Å; F100-I104 WeakPolarHBondContact O-CG1 3.29Å; F100-I104 PolarHBondContact O-N 3.35Å
101	I	47.6	Very low	47.5	Very low	50 Å²	50	77.7 Å²	77.7	26%	0.256	41%	0.405	S	S	.	.	H	α-helix	trans	-72.4	-44.6	-175	-66.3	169.3	0	0	0	113	C97 I104 L105 I112 F116	C97-I101 HydrophobicContact CB-CD1 3.75Å; C97-I101 WeakPolarHBondContact O-CB 3.39Å; C97-I101 WeakPolarHBondContact O-CD1 3.45Å; C97-I101 WeakPolarHBondContact O-CG1 3.42Å; C97-I101 PolarHBondContact O-N 2.85Å; I101-I104 PolarHBondContact O-N 3.36Å; I101-L105 HydrophobicContact CG2-CD1 4.09Å; I101-L105 PolarHBondContact O-N 2.91Å; I101-I112 HydrophobicContact CG2-CG2 4.04Å; I101-F116 HydrophobicContact CD1-CD2 3.77Å; I101-F116 HydrophobicContact CD1-CE2 3.75Å
102	P	44	Very low	47.1	Very low	70 Å²	70	77 Å²	77	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-65.3	-36.8	-178.9	-20.3	32.2	0	0	0	115.1	Y98	Y98-P102 WeakPolarHBondContact O-CD 3.37Å; Y98-P102 WeakPolarHBondContact O-CG 3.27Å
103	P	42.5	Very low	46.9	Very low	58 Å²	58	77.3 Å²	77.3	38%	0.377	40%	0.402	S	S	.	.	H	α-helix	trans	-73.4	-31.2	175	-19.1	31.4	0	0	0	114.3	T99 F100	T99-P103 VanDerWaalsContact O-CD 3.3Å; T99-P103 WeakPolarHBondContact O-CD 3.48Å; T99-P103 WeakPolarHBondContact O-CG 3.32Å; F100-P103 WeakPolarHBondContact O-CD 3.42Å
104	I	43.1	Very low	46.7	Very low	126 Å²	126	79.2 Å²	79.2	65%	0.646	41%	0.409	S	S	*	.	H	α-helix	trans	-82	-26.5	-174	-65.5	173.4	0	0	0	111.8	F100 I101	F100-I104 HydrophobicContact CB-CD1 4.29Å; F100-I104 WeakPolarHBondContact O-CB 3.44Å; F100-I104 VanDerWaalsContact O-CD1 3.25Å; F100-I104 WeakPolarHBondContact O-CD1 3.35Å; F100-I104 WeakPolarHBondContact O-CG1 3.29Å; F100-I104 PolarHBondContact O-N 3.35Å; I101-I104 PolarHBondContact O-N 3.36Å
105	L	40.6	Very low	46.4	Very low	83 Å²	83	81.7 Å²	81.7	44%	0.435	43%	0.427	S	S	.	.			trans	-118.5	63.5	-171.8	-76.2	148.1	0	0	0	112.2	I101 I107 I112	I101-L105 HydrophobicContact CG2-CD1 4.09Å; I101-L105 PolarHBondContact O-N 2.91Å; L105-I107 PolarHBondContact O-N 2.82Å; L105-I112 HydrophobicContact CB-CD1 3.84Å; L105-I112 HydrophobicContact CD1-CD1 4.1Å; L105-I112 HydrophobicContact CD2-CD1 3.91Å; L105-I112 HydrophobicContact CG-CD1 4.15Å
106	M	46.3	Very low	46.2	Very low	168 Å²	168	80.2 Å²	80.2	83%	0.828	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	11.1	176.2	-155.9	171.5	174.8	0	0	114.2
107	I	46.1	Very low	46.2	Very low	156 Å²	156	76.6 Å²	76.6	80%	0.8	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-11.4	-162.7	-60.8	-178.2	0	0	0	116.1	L105	L105-I107 PolarHBondContact O-N 2.82Å
108	M	47.5	Very low	46.1	Very low	115 Å²	115	77.8 Å²	77.8	57%	0.567	41%	0.406	S	S	*	.			trans	-147.6	65.1	176.5	-82.5	-139.5	-72.3	0	0	115	K110 I112	M108-K110 PolarHBondContact O-N 2.73Å; M108-I112 HydrophobicContact CB-CD1 3.99Å; M108-I112 HydrophobicContact CB-CG1 4.41Å; M108-I112 WeakPolarHBondContact O-CB 3.23Å; M108-I112 VanDerWaalsContact O-CD1 3.29Å; M108-I112 WeakPolarHBondContact O-CD1 3.28Å; M108-I112 VanDerWaalsContact O-CG1 3.25Å; M108-I112 WeakPolarHBondContact O-CG1 3.25Å; M108-I112 PolarHBondContact O-N 2.84Å
109	I	50.7	Low	46.1	Very low	44 Å²	44	78.3 Å²	78.3	23%	0.226	42%	0.418	C	S	.	.	H	α-helix	trans	-59.5	-39.5	-170.5	-64.8	171.8	0	0	0	113.5	M113 N216	I109-M113 HydrophobicContact CG2-SD 3.92Å; I109-M113 WeakPolarHBondContact O-CG 3.32Å; I109-M113 PolarHBondContact O-N 3.37Å; I109-M113 VanDerWaalsContact O-SD 3.35Å; I109-N216 WeakPolarHBondContact CG2-OD1 3.43Å
110	K	43.8	Very low	46.2	Very low	113 Å²	113	77.9 Å²	77.9	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-75.2	-43	-170	-68.5	-176.1	178.3	-179.2	0	114.9	M108	M108-K110 PolarHBondContact O-N 2.73Å
111	N	39.1	Very low	46.4	Very low	110 Å²	110	74 Å²	74	59%	0.588	40%	0.402	S	S	*	.	H	α-helix	trans	-79.6	-33.6	-177.8	-72.9	-14	0	0	0	112.5	M113 I114 S115	N111-M113 VanDerWaalsContact C-N 3.27Å; N111-M113 PolarHBondContact O-N 3.28Å; N111-I114 PolarHBondContact O-N 3.23Å; N111-S115 PolarHBondContact O-N 3.46Å; N111-S115 VanDerWaalsContact O-N 3.08Å
112	I	44.8	Very low	46.5	Very low	38 Å²	38	76.3 Å²	76.3	20%	0.195	41%	0.413	C	S	.	.	H	α-helix	trans	-65.3	-37.2	176.9	-64.4	171.5	0	0	0	109.8	I101 L105 M108 I114 S115 F116	I101-I112 HydrophobicContact CG2-CG2 4.04Å; L105-I112 HydrophobicContact CB-CD1 3.84Å; L105-I112 HydrophobicContact CD1-CD1 4.1Å; L105-I112 HydrophobicContact CD2-CD1 3.91Å; L105-I112 HydrophobicContact CG-CD1 4.15Å; M108-I112 HydrophobicContact CB-CD1 3.99Å; M108-I112 HydrophobicContact CB-CG1 4.41Å; M108-I112 WeakPolarHBondContact O-CB 3.23Å; M108-I112 VanDerWaalsContact O-CD1 3.29Å; M108-I112 WeakPolarHBondContact O-CD1 3.28Å; M108-I112 VanDerWaalsContact O-CG1 3.25Å; M108-I112 WeakPolarHBondContact O-CG1 3.25Å; M108-I112 PolarHBondContact O-N 2.84Å; I112-I114 PolarHBondContact O-N 2.94Å; I112-S115 WeakPolarHBondContact CA-OG 3.4Å; I112-S115 PolarHBondContact O-N 3.29Å; I112-S115 PolarHBondContact O-OG 3.05Å; I112-F116 WeakPolarHBondContact O-CB 3.3Å; I112-F116 PolarHBondContact O-N 2.85Å
113	M	47.4	Very low	46.7	Very low	36 Å²	36	74.4 Å²	74.4	18%	0.177	40%	0.404	C	S	.	.	H	α-helix	trans	-58.4	-48	174.4	-80.7	164.7	41	0	0	114	I109 N111 S115 F116 T117 Y208 V212	I109-M113 HydrophobicContact CG2-SD 3.92Å; I109-M113 WeakPolarHBondContact O-CG 3.32Å; I109-M113 PolarHBondContact O-N 3.37Å; I109-M113 VanDerWaalsContact O-SD 3.35Å; N111-M113 VanDerWaalsContact C-N 3.27Å; N111-M113 PolarHBondContact O-N 3.28Å; M113-S115 VanDerWaalsContact C-N 3.29Å; M113-S115 PolarHBondContact O-N 3.34Å; M113-F116 PolarHBondContact O-N 2.79Å; M113-T117 VanDerWaalsContact O-CB 3.27Å; M113-T117 WeakPolarHBondContact O-CB 3.38Å; M113-T117 PolarHBondContact O-N 2.87Å; M113-T117 PolarHBondContact O-OG1 2.89Å; M113-Y208 VanDerWaalsContact CA-OH 3.28Å; M113-Y208 WeakPolarHBondContact CA-OH 2.92Å; M113-Y208 HydrophobicContact CB-CE1 4.32Å; M113-Y208 HydrophobicContact CG-CE1 4.18Å; M113-Y208 WeakPolarHBondContact CG-OH 3.06Å; M113-V212 HydrophobicContact CE-CB 4.45Å; M113-V212 HydrophobicContact CE-CG1 3.38Å; M113-V212 HydrophobicContact CE-CG2 4.34Å; M113-V212 HydrophobicContact CG-CG1 4.32Å; M113-V212 HydrophobicContact CG-CG2 3.71Å; M113-V212 HydrophobicContact SD-CB 4.06Å; M113-V212 HydrophobicContact SD-CG1 3.19Å; M113-V212 WeakPolarHBondContact SD-CG1 3.13Å; M113-V212 HydrophobicContact SD-CG2 3.68Å
114	I	46.6	Very low	47.3	Very low	108 Å²	108	72.8 Å²	72.8	55%	0.554	39%	0.391	S	S	*	.	H	α-helix	trans	-63.7	-43.4	179.4	-62.9	170.4	0	0	0	108.9	N111 I112 F116 T117 V118	N111-I114 PolarHBondContact O-N 3.23Å; I112-I114 PolarHBondContact O-N 2.94Å; I114-F116 PolarHBondContact O-N 3.46Å; I114-T117 PolarHBondContact O-N 3.26Å; I114-V118 HydrophobicContact CG2-CG2 4.26Å; I114-V118 VanDerWaalsContact O-CB 3.28Å; I114-V118 WeakPolarHBondContact O-CB 2.98Å; I114-V118 WeakPolarHBondContact O-CG2 3.14Å; I114-V118 PolarHBondContact O-N 2.9Å
115	S	44.8	Very low	47.5	Very low	70 Å²	70	67.7 Å²	67.7	49%	0.49	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-39.2	179.2	74.3	0	0	0	0	113.2	N111 I112 M113 A119	N111-S115 PolarHBondContact O-N 3.46Å; N111-S115 VanDerWaalsContact O-N 3.08Å; I112-S115 WeakPolarHBondContact CA-OG 3.4Å; I112-S115 PolarHBondContact O-N 3.29Å; I112-S115 PolarHBondContact O-OG 3.05Å; M113-S115 VanDerWaalsContact C-N 3.29Å; M113-S115 PolarHBondContact O-N 3.34Å; S115-A119 VanDerWaalsContact O-CB 3.3Å; S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.47Å
116	F	50.3	Low	47.9	Very low	21 Å²	21	69.5 Å²	69.5	9%	0.092	37%	0.374	C	S	.	.	H	α-helix	trans	-75.8	-40	-178.4	-171.3	-95.9	0	0	0	111.6	L94 C97 Y98 I101 I112 M113 I114 V118 A119 T120 Y208	L94-F116 HydrophobicContact CD2-CZ 4.22Å; C97-F116 HydrophobicContact CB-CE2 3.63Å; C97-F116 HydrophobicContact CB-CZ 4.05Å; Y98-F116 AromaticContact CD2-CE1 3.72Å; Y98-F116 HydrophobicContact CD2-CE1 3.72Å; Y98-F116 AromaticContact CD2-CZ 3.71Å; Y98-F116 HydrophobicContact CD2-CZ 3.71Å; Y98-F116 HydrophobicContact CE2-CD1 4.4Å; Y98-F116 AromaticContact CE2-CE1 3.28Å; Y98-F116 HydrophobicContact CE2-CE1 3.28Å; Y98-F116 AromaticContact CE2-CZ 3.76Å; Y98-F116 HydrophobicContact CE2-CZ 3.76Å; Y98-F116 HydrophobicContact CG-CZ 4.48Å; Y98-F116 AromaticContact CZ-CE1 3.72Å; I101-F116 HydrophobicContact CD1-CD2 3.77Å; I101-F116 HydrophobicContact CD1-CE2 3.75Å; I112-F116 WeakPolarHBondContact O-CB 3.3Å; I112-F116 PolarHBondContact O-N 2.85Å; M113-F116 PolarHBondContact O-N 2.79Å; I114-F116 PolarHBondContact O-N 3.46Å; F116-V118 VanDerWaalsContact C-N 3.35Å; F116-A119 PolarHBondContact O-N 3.35Å; F116-T120 HydrophobicContact CD1-CG2 4.21Å; F116-T120 HydrophobicContact CE1-CG2 3.69Å; F116-T120 HydrophobicContact CZ-CG2 4.01Å; F116-T120 WeakPolarHBondContact O-CB 3.13Å; F116-T120 PolarHBondContact O-N 3.34Å; F116-T120 PolarHBondContact O-OG1 3.43Å; F116-Y208 HydrophobicContact CD1-CE1 4.47Å; F116-Y208 HydrophobicContact CD1-CE2 4.35Å
117	T	50.4	Low	48.1	Very low	15 Å²	15	63 Å²	63	9%	0.092	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-43.4	170.6	-62.9	0	0	0	0	111.6	M113 I114 T120 V121 F205 Y208	M113-T117 VanDerWaalsContact O-CB 3.27Å; M113-T117 WeakPolarHBondContact O-CB 3.38Å; M113-T117 PolarHBondContact O-N 2.87Å; M113-T117 PolarHBondContact O-OG1 2.89Å; I114-T117 PolarHBondContact O-N 3.26Å; T117-T120 VanDerWaalsContact C-OG1 3.3Å; T117-T120 WeakPolarHBondContact CA-OG1 3.35Å; T117-T120 PolarHBondContact O-OG1 3.34Å; T117-V121 HydrophobicContact CG2-CG2 4.47Å; T117-V121 WeakPolarHBondContact O-CB 3.08Å; T117-V121 WeakPolarHBondContact O-CG2 3.3Å; T117-V121 PolarHBondContact O-N 2.9Å; T117-F205 HydrophobicContact CG2-CD2 4.37Å; T117-F205 HydrophobicContact CG2-CE2 3.53Å; T117-F205 HydrophobicContact CG2-CZ 4.35Å; T117-Y208 WeakPolarHBondContact OG1-CE1 3.49Å
118	V	47.5	Very low	48.4	Very low	69 Å²	69	55.6 Å²	55.6	42%	0.418	30%	0.304	S	S	.	.	H	α-helix	trans	-64.1	-43.3	175	169.9	0	0	0	0	110.6	I114 F116 V121 I122	I114-V118 HydrophobicContact CG2-CG2 4.26Å; I114-V118 VanDerWaalsContact O-CB 3.28Å; I114-V118 WeakPolarHBondContact O-CB 2.98Å; I114-V118 WeakPolarHBondContact O-CG2 3.14Å; I114-V118 PolarHBondContact O-N 2.9Å; F116-V118 VanDerWaalsContact C-N 3.35Å; V118-V121 PolarHBondContact O-N 3.16Å; V118-I122 HydrophobicContact CG1-CD1 3.56Å; V118-I122 HydrophobicContact CG1-CG1 4.28Å; V118-I122 WeakPolarHBondContact O-CB 3.38Å; V118-I122 WeakPolarHBondContact O-CG1 3.41Å; V118-I122 PolarHBondContact O-N 2.79Å
119	A	49	Very low	48.4	Very low	50 Å²	50	53.9 Å²	53.9	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-42.4	178.7	0	0	0	0	0	113	S115 F116 I122 A123	S115-A119 VanDerWaalsContact O-CB 3.3Å; S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.47Å; F116-A119 PolarHBondContact O-N 3.35Å; A119-I122 PolarHBondContact O-N 2.87Å; A119-A123 VanDerWaalsContact O-CB 3.23Å; A119-A123 WeakPolarHBondContact O-CB 3.41Å; A119-A123 PolarHBondContact O-N 2.78Å
120	T	51.4	Low	48.3	Very low	24 Å²	24	53.4 Å²	53.4	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-45.7	174.9	36.7	0	0	0	0	111.5	L94 F116 T117 A123 F124	L94-T120 HydrophobicContact CD1-CG2 4.01Å; L94-T120 HydrophobicContact CD2-CG2 3.3Å; L94-T120 HydrophobicContact CG-CG2 4.28Å; F116-T120 HydrophobicContact CD1-CG2 4.21Å; F116-T120 HydrophobicContact CE1-CG2 3.69Å; F116-T120 HydrophobicContact CZ-CG2 4.01Å; F116-T120 WeakPolarHBondContact O-CB 3.13Å; F116-T120 PolarHBondContact O-N 3.34Å; F116-T120 PolarHBondContact O-OG1 3.43Å; T117-T120 VanDerWaalsContact C-OG1 3.3Å; T117-T120 WeakPolarHBondContact CA-OG1 3.35Å; T117-T120 PolarHBondContact O-OG1 3.34Å; T120-A123 PolarHBondContact O-N 3.46Å; T120-F124 WeakPolarHBondContact O-CB 3.47Å; T120-F124 PolarHBondContact O-N 3.39Å
121	V	51.7	Low	48.6	Very low	31 Å²	31	49 Å²	49	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-44.9	176.4	170.5	0	0	0	0	111.2	T117 V118 S125 I150	T117-V121 HydrophobicContact CG2-CG2 4.47Å; T117-V121 WeakPolarHBondContact O-CB 3.08Å; T117-V121 WeakPolarHBondContact O-CG2 3.3Å; T117-V121 PolarHBondContact O-N 2.9Å; V118-V121 PolarHBondContact O-N 3.16Å; V121-S125 VanDerWaalsContact O-CB 3.31Å; V121-S125 WeakPolarHBondContact O-CB 3.3Å; V121-S125 PolarHBondContact O-N 3.48Å; V121-S125 PolarHBondContact O-OG 3.45Å; V121-I150 HydrophobicContact CG1-CB 4.43Å; V121-I150 HydrophobicContact CG1-CG1 3.68Å
122	I	48.3	Very low	48.9	Very low	97 Å²	97	44.8 Å²	44.8	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-50.4	177.2	-71.8	167.7	0	0	0	110.3	V118 A119 F124 S125 M126	V118-I122 HydrophobicContact CG1-CD1 3.56Å; V118-I122 HydrophobicContact CG1-CG1 4.28Å; V118-I122 WeakPolarHBondContact O-CB 3.38Å; V118-I122 WeakPolarHBondContact O-CG1 3.41Å; V118-I122 PolarHBondContact O-N 2.79Å; A119-I122 PolarHBondContact O-N 2.87Å; I122-F124 PolarHBondContact O-N 2.93Å; I122-S125 WeakPolarHBondContact O-CB 3.33Å; I122-S125 PolarHBondContact O-N 3.35Å; I122-M126 HydrophobicContact CG2-CG 4.38Å; I122-M126 VanDerWaalsContact O-CG 3.29Å; I122-M126 WeakPolarHBondContact O-CG 3.4Å; I122-M126 PolarHBondContact O-N 3.26Å
123	A	50	Low	49	Very low	31 Å²	31	49.4 Å²	49.4	26%	0.256	29%	0.285	S	S	.	.	H	α-helix	trans	-71.1	-33.6	-174.3	0	0	0	0	0	112.2	F90 A119 T120 M126 I127	F90-A123 HydrophobicContact CD2-CB 4.3Å; F90-A123 HydrophobicContact CE2-CB 3.2Å; F90-A123 HydrophobicContact CZ-CB 3.47Å; F90-A123 VanDerWaalsContact CZ-CB 3.47Å; A119-A123 VanDerWaalsContact O-CB 3.23Å; A119-A123 WeakPolarHBondContact O-CB 3.41Å; A119-A123 PolarHBondContact O-N 2.78Å; T120-A123 PolarHBondContact O-N 3.46Å; A123-M126 PolarHBondContact O-N 2.9Å; A123-I127 WeakPolarHBondContact O-CD1 3.39Å; A123-I127 WeakPolarHBondContact O-CG1 3.28Å; A123-I127 PolarHBondContact O-N 3.47Å
124	F	53.3	Low	48.9	Very low	23 Å²	23	54.8 Å²	54.8	10%	0.101	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-43.5	169.4	-169.3	-95.7	0	0	0	111.6	F90 T120 I122 M126 I127 V128 F149 V197 A201	F90-F124 HydrophobicContact CE1-CB 4.23Å; F90-F124 HydrophobicContact CE1-CD2 4.21Å; F90-F124 HydrophobicContact CZ-CB 4.45Å; T120-F124 WeakPolarHBondContact O-CB 3.47Å; T120-F124 PolarHBondContact O-N 3.39Å; I122-F124 PolarHBondContact O-N 2.93Å; F124-M126 VanDerWaalsContact C-N 3.3Å; F124-M126 PolarHBondContact O-N 2.91Å; F124-I127 PolarHBondContact O-N 3.37Å; F124-V128 HydrophobicContact CD1-CG2 3.88Å; F124-V128 HydrophobicContact CE1-CG2 3.67Å; F124-V128 HydrophobicContact CZ-CG2 4.2Å; F124-V128 WeakPolarHBondContact O-CB 3.36Å; F124-V128 VanDerWaalsContact O-CG2 3.25Å; F124-V128 WeakPolarHBondContact O-CG2 3.5Å; F124-V128 PolarHBondContact O-N 3.47Å; F124-F149 HydrophobicContact CD1-CE1 4.5Å; F124-F149 HydrophobicContact CE1-CD1 4.03Å; F124-F149 HydrophobicContact CE1-CD2 4.42Å; F124-F149 AromaticContact CE1-CE1 3.59Å; F124-F149 HydrophobicContact CE1-CE1 3.59Å; F124-F149 HydrophobicContact CE1-CE2 4.1Å; F124-F149 HydrophobicContact CE1-CG 4.4Å; F124-F149 AromaticContact CE1-CZ 3.65Å; F124-F149 HydrophobicContact CE1-CZ 3.65Å; F124-F149 HydrophobicContact CZ-CE1 4.21Å; F124-F149 HydrophobicContact CZ-CZ 4.23Å; F124-V197 HydrophobicContact CD2-CG1 4.38Å; F124-V197 HydrophobicContact CE2-CG1 3.28Å; F124-V197 WeakPolarHBondContact CE2-O 3.48Å; F124-V197 HydrophobicContact CZ-CB 4.49Å; F124-V197 HydrophobicContact CZ-CG1 3.42Å; F124-V197 VanDerWaalsContact CZ-CG1 3.42Å; F124-V197 WeakPolarHBondContact CZ-O 3.27Å; F124-A201 HydrophobicContact CD2-CB 3.9Å; F124-A201 HydrophobicContact CE1-CB 4.13Å; F124-A201 HydrophobicContact CE2-CB 3.41Å; F124-A201 VanDerWaalsContact CE2-CB 3.41Å; F124-A201 HydrophobicContact CG-CB 4.41Å; F124-A201 HydrophobicContact CZ-CB 3.51Å
125	S	48.6	Very low	49.1	Very low	20 Å²	20	52.4 Å²	52.4	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-41.1	174	-57.9	0	0	0	0	111.5	V121 I122 V128 L129	V121-S125 VanDerWaalsContact O-CB 3.31Å; V121-S125 WeakPolarHBondContact O-CB 3.3Å; V121-S125 PolarHBondContact O-N 3.48Å; V121-S125 PolarHBondContact O-OG 3.45Å; I122-S125 WeakPolarHBondContact O-CB 3.33Å; I122-S125 PolarHBondContact O-N 3.35Å; S125-V128 PolarHBondContact O-N 2.88Å; S125-L129 VanDerWaalsContact O-CB 3.28Å; S125-L129 WeakPolarHBondContact O-CB 3.41Å; S125-L129 PolarHBondContact O-N 3.27Å
126	M	48.6	Very low	49.4	Very low	121 Å²	121	59.5 Å²	59.5	60%	0.596	32%	0.32	S	S	*	.	H	α-helix	trans	-67.2	-35.9	177	-69.9	-62.3	-69.4	0	0	112.9	I122 A123 F124 G130	I122-M126 HydrophobicContact CG2-CG 4.38Å; I122-M126 VanDerWaalsContact O-CG 3.29Å; I122-M126 WeakPolarHBondContact O-CG 3.4Å; I122-M126 PolarHBondContact O-N 3.26Å; A123-M126 PolarHBondContact O-N 2.9Å; F124-M126 VanDerWaalsContact C-N 3.3Å; F124-M126 PolarHBondContact O-N 2.91Å; M126-G130 PolarHBondContact O-N 2.85Å
127	I	51.4	Low	49.3	Very low	31 Å²	31	60.6 Å²	60.6	16%	0.159	33%	0.326	C	S	.	.	H	α-helix	trans	-71.6	-43.5	176.6	-73	161.9	0	0	0	111	V87 F90 A123 F124 L129 G130 M131	V87-I127 HydrophobicContact CG2-CG2 4.07Å; F90-I127 HydrophobicContact CB-CD1 3.27Å; F90-I127 HydrophobicContact CD1-CD1 3.18Å; F90-I127 HydrophobicContact CD2-CD1 3.31Å; F90-I127 HydrophobicContact CE1-CD1 3.69Å; F90-I127 HydrophobicContact CE2-CD1 3.85Å; F90-I127 HydrophobicContact CG-CD1 2.93Å; F90-I127 HydrophobicContact CG-CG1 4.42Å; F90-I127 HydrophobicContact CZ-CD1 3.99Å; A123-I127 WeakPolarHBondContact O-CD1 3.39Å; A123-I127 WeakPolarHBondContact O-CG1 3.28Å; A123-I127 PolarHBondContact O-N 3.47Å; F124-I127 PolarHBondContact O-N 3.37Å; I127-L129 VanDerWaalsContact C-N 3.33Å; I127-G130 CarbonylContact O-C 3.6Å; I127-G130 PolarHBondContact O-N 3.08Å; I127-G130 VanDerWaalsContact O-N 3.15Å; I127-M131 WeakPolarHBondContact O-CG 3.28Å; I127-M131 PolarHBondContact O-N 3.38Å
128	V	51	Low	49.3	Very low	1 Å²	1	63.6 Å²	63.6	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-48.8	172.9	166.8	0	0	0	0	109.3	F124 S125 G130 M131 F132	F124-V128 HydrophobicContact CD1-CG2 3.88Å; F124-V128 HydrophobicContact CE1-CG2 3.67Å; F124-V128 HydrophobicContact CZ-CG2 4.2Å; F124-V128 WeakPolarHBondContact O-CB 3.36Å; F124-V128 VanDerWaalsContact O-CG2 3.25Å; F124-V128 WeakPolarHBondContact O-CG2 3.5Å; F124-V128 PolarHBondContact O-N 3.47Å; S125-V128 PolarHBondContact O-N 2.88Å; V128-G130 VanDerWaalsContact C-N 3.33Å; V128-G130 PolarHBondContact O-N 3.3Å; V128-M131 PolarHBondContact O-N 2.89Å; V128-F132 VanDerWaalsContact C-CD2 3.46Å; V128-F132 HydrophobicContact CB-CE2 4.36Å; V128-F132 HydrophobicContact CG1-CD2 3.69Å; V128-F132 HydrophobicContact CG1-CE2 3.06Å; V128-F132 HydrophobicContact CG1-CZ 3.83Å; V128-F132 WeakPolarHBondContact O-CD2 3.12Å; V128-F132 VanDerWaalsContact O-CG 3.28Å; V128-F132 WeakPolarHBondContact O-CG 3.27Å; V128-F132 PolarHBondContact O-N 3.48Å
129	L	49	Very low	49.2	Very low	78 Å²	78	65.5 Å²	65.5	41%	0.408	36%	0.359	S	S	.	.	H	α-helix	trans	-56.4	-43.6	172.5	-154.5	99.9	0	0	0	112.4	S125 I127 F132 I133	S125-L129 VanDerWaalsContact O-CB 3.28Å; S125-L129 WeakPolarHBondContact O-CB 3.41Å; S125-L129 PolarHBondContact O-N 3.27Å; I127-L129 VanDerWaalsContact C-N 3.33Å; L129-F132 WeakPolarHBondContact O-CB 3.48Å; L129-F132 PolarHBondContact O-N 3.02Å; L129-I133 WeakPolarHBondContact O-CG1 3.42Å; L129-I133 PolarHBondContact O-N 2.66Å
130	G	46.8	Very low	48.9	Very low	35 Å²	35	68.7 Å²	68.7	36%	0.361	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-34.6	178.8	0	0	0	0	0	113.9	M126 I127 V128 F132	M126-G130 PolarHBondContact O-N 2.85Å; I127-G130 CarbonylContact O-C 3.6Å; I127-G130 PolarHBondContact O-N 3.08Å; I127-G130 VanDerWaalsContact O-N 3.15Å; V128-G130 VanDerWaalsContact C-N 3.33Å; V128-G130 PolarHBondContact O-N 3.3Å; G130-F132 VanDerWaalsContact C-N 3.33Å
131	M	49.9	Very low	48.7	Very low	19 Å²	19	72.2 Å²	72.2	9%	0.094	39%	0.391	C	S	.	.	H	α-helix	trans	-67.2	-37.1	170.8	-68.8	-160	-61.7	0	0	110.8	P83 V87 I127 V128 K134 V135 I193 L194 V197	P83-M131 HydrophobicContact CB-CG 4.08Å; P83-M131 HydrophobicContact CB-SD 4.36Å; P83-M131 HydrophobicContact CG-CG 4.42Å; P83-M131 HydrophobicContact CG-SD 4.36Å; V87-M131 HydrophobicContact CG2-SD 4Å; I127-M131 WeakPolarHBondContact O-CG 3.28Å; I127-M131 PolarHBondContact O-N 3.38Å; V128-M131 PolarHBondContact O-N 2.89Å; M131-K134 PolarHBondContact O-N 3.16Å; M131-V135 WeakPolarHBondContact O-CG2 3.18Å; M131-V135 PolarHBondContact O-N 3.5Å; M131-I193 HydrophobicContact SD-CG2 4.45Å; M131-L194 HydrophobicContact CE-CD1 4.39Å; M131-V197 HydrophobicContact CE-CG1 4.45Å
132	F	45.9	Very low	48.3	Very low	22 Å²	22	71.1 Å²	71.1	10%	0.096	39%	0.385	C	S	.	.	H	α-helix	trans	-70.7	-26.5	177.5	-66.5	-50.5	0	0	0	114.4	V128 L129 G130 K134 V135 I137 S142 L194	V128-F132 VanDerWaalsContact C-CD2 3.46Å; V128-F132 HydrophobicContact CB-CE2 4.36Å; V128-F132 HydrophobicContact CG1-CD2 3.69Å; V128-F132 HydrophobicContact CG1-CE2 3.06Å; V128-F132 HydrophobicContact CG1-CZ 3.83Å; V128-F132 WeakPolarHBondContact O-CD2 3.12Å; V128-F132 VanDerWaalsContact O-CG 3.28Å; V128-F132 WeakPolarHBondContact O-CG 3.27Å; V128-F132 PolarHBondContact O-N 3.48Å; L129-F132 WeakPolarHBondContact O-CB 3.48Å; L129-F132 PolarHBondContact O-N 3.02Å; G130-F132 VanDerWaalsContact C-N 3.33Å; F132-K134 VanDerWaalsContact C-N 3.25Å; F132-K134 PolarHBondContact O-N 2.84Å; F132-V135 CarbonylContact C-O 3.52Å; F132-V135 CarbonylContact O-C 3.55Å; F132-I137 HydrophobicContact CD1-CB 3.73Å; F132-I137 HydrophobicContact CD1-CD1 3.56Å; F132-I137 HydrophobicContact CD1-CG1 4.14Å; F132-I137 HydrophobicContact CD1-CG2 3.81Å; F132-I137 HydrophobicContact CE1-CB 4.22Å; F132-I137 HydrophobicContact CE1-CD1 3.58Å; F132-I137 HydrophobicContact CE1-CG1 4.45Å; F132-I137 HydrophobicContact CE1-CG2 3.85Å; F132-S142 VanDerWaalsContact CD2-CB 3.4Å; F132-S142 WeakPolarHBondContact CD2-OG 3.23Å; F132-S142 WeakPolarHBondContact CE2-OG 3.21Å; F132-L194 HydrophobicContact CZ-CD1 4.36Å; F132-L194 HydrophobicContact CZ-CD2 4.44Å
133	I	47.6	Very low	48.1	Very low	136 Å²	136	68.6 Å²	68.6	70%	0.697	38%	0.379	S	S	*	.	H	α-helix	trans	-66.7	-30.6	172.2	-66.5	165.8	0	0	0	111.1	L129	L129-I133 WeakPolarHBondContact O-CG1 3.42Å; L129-I133 PolarHBondContact O-N 2.66Å
134	K	44.7	Very low	47.9	Very low	148 Å²	148	69.4 Å²	69.4	64%	0.643	39%	0.385	S	S	*	.	H	α-helix	trans	-88.8	-32.8	179.3	-81.2	-174	174.7	177.6	0	114	M131 F132	M131-K134 PolarHBondContact O-N 3.16Å; F132-K134 VanDerWaalsContact C-N 3.25Å; F132-K134 PolarHBondContact O-N 2.84Å
135	V	50.9	Low	47.7	Very low	59 Å²	59	70 Å²	70	36%	0.358	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	105.7	178.5	-170.4	0	0	0	0	105.9	M131 F132 I137	M131-V135 WeakPolarHBondContact O-CG2 3.18Å; M131-V135 PolarHBondContact O-N 3.5Å; F132-V135 CarbonylContact C-O 3.52Å; F132-V135 CarbonylContact O-C 3.55Å; V135-I137 HydrophobicContact CB-CD1 4.05Å; V135-I137 HydrophobicContact CB-CG1 4.26Å; V135-I137 HydrophobicContact CG1-CD1 3.68Å; V135-I137 HydrophobicContact CG1-CG1 3.84Å; V135-I137 WeakPolarHBondContact O-CG1 3.36Å; V135-I137 PolarHBondContact O-N 3.35Å
136	K	51.8	Low	47.7	Very low	218 Å²	218	69.7 Å²	69.7	95%	0.948	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	68.8	-176.1	-67.7	-178.4	176.8	-178.7	0	113.6
137	I	47.7	Very low	47.7	Very low	44 Å²	44	68.4 Å²	68.4	23%	0.226	38%	0.383	C	S	.	.			trans	-97.7	141.6	-178.1	-70.5	175.6	0	0	0	106.9	F132 V135 L141	F132-I137 HydrophobicContact CD1-CB 3.73Å; F132-I137 HydrophobicContact CD1-CD1 3.56Å; F132-I137 HydrophobicContact CD1-CG1 4.14Å; F132-I137 HydrophobicContact CD1-CG2 3.81Å; F132-I137 HydrophobicContact CE1-CB 4.22Å; F132-I137 HydrophobicContact CE1-CD1 3.58Å; F132-I137 HydrophobicContact CE1-CG1 4.45Å; F132-I137 HydrophobicContact CE1-CG2 3.85Å; V135-I137 HydrophobicContact CB-CD1 4.05Å; V135-I137 HydrophobicContact CB-CG1 4.26Å; V135-I137 HydrophobicContact CG1-CD1 3.68Å; V135-I137 HydrophobicContact CG1-CG1 3.84Å; V135-I137 WeakPolarHBondContact O-CG1 3.36Å; V135-I137 PolarHBondContact O-N 3.35Å; I137-L141 HydrophobicContact CG2-CB 4.2Å; I137-L141 HydrophobicContact CG2-CD2 3.93Å
138	P	49.7	Very low	47.6	Very low	79 Å²	79	70.1 Å²	70.1	51%	0.513	40%	0.398	S	S	.	.			trans	-55.6	129.6	-179.4	-23.5	32.7	0	0	0	110.6	V140 L141 S142	P138-V140 PolarHBondContact O-N 2.84Å; P138-V140 VanDerWaalsContact O-N 3.09Å; P138-L141 HydrophobicContact CB-CB 4.35Å; P138-L141 WeakPolarHBondContact O-CB 3.37Å; P138-L141 PolarHBondContact O-N 3.28Å; P138-S142 PolarHBondContact O-N 2.92Å; P138-S142 VanDerWaalsContact O-N 3.16Å
139	P	46.3	Very low	47.6	Very low	108 Å²	108	71.6 Å²	71.6	70%	0.701	40%	0.404	S	S	*	.	H	α-helix	trans	-58.9	-27.3	-178.4	20.8	-31.5	0	0	0	112.5	S142 A143	P139-S142 WeakPolarHBondContact O-CB 3.45Å; P139-S142 PolarHBondContact O-N 3.24Å; P139-A143 WeakPolarHBondContact O-CB 3.42Å; P139-A143 PolarHBondContact O-N 2.91Å
140	V	43.4	Very low	47.5	Very low	117 Å²	117	71.1 Å²	71.1	71%	0.709	40%	0.401	S	S	*	.	H	α-helix	trans	-64.1	-41.5	173.9	-176.3	0	0	0	0	111.7	P138 A143 A144	P138-V140 PolarHBondContact O-N 2.84Å; P138-V140 VanDerWaalsContact O-N 3.09Å; V140-A143 PolarHBondContact O-N 3.31Å; V140-A144 WeakPolarHBondContact O-CB 3.46Å; V140-A144 PolarHBondContact O-N 3.27Å
141	L	46.7	Very low	47.6	Very low	98 Å²	98	74.4 Å²	74.4	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-69.5	-39.7	177.6	-164.9	72.8	0	0	0	110.6	I137 P138 A144 V145	I137-L141 HydrophobicContact CG2-CB 4.2Å; I137-L141 HydrophobicContact CG2-CD2 3.93Å; P138-L141 HydrophobicContact CB-CB 4.35Å; P138-L141 WeakPolarHBondContact O-CB 3.37Å; P138-L141 PolarHBondContact O-N 3.28Å; L141-A144 PolarHBondContact O-N 3.3Å; L141-V145 WeakPolarHBondContact O-CB 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.19Å; L141-V145 PolarHBondContact O-N 3.04Å
142	S	43.6	Very low	47.7	Very low	9 Å²	9	76.7 Å²	76.7	6%	0.063	43%	0.425	C	S	.	.	H	α-helix	trans	-60	-47.2	174	168.4	0	0	0	0	112.3	F132 P138 P139 S146	F132-S142 VanDerWaalsContact CD2-CB 3.4Å; F132-S142 WeakPolarHBondContact CD2-OG 3.23Å; F132-S142 WeakPolarHBondContact CE2-OG 3.21Å; P138-S142 PolarHBondContact O-N 2.92Å; P138-S142 VanDerWaalsContact O-N 3.16Å; P139-S142 WeakPolarHBondContact O-CB 3.45Å; P139-S142 PolarHBondContact O-N 3.24Å; S142-S146 WeakPolarHBondContact O-CB 3.46Å; S142-S146 PolarHBondContact O-N 2.83Å; S142-S146 PolarHBondContact O-OG 2.9Å
143	A	43.1	Very low	48	Very low	44 Å²	44	76 Å²	76	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-45.4	178.3	0	0	0	0	0	110.9	P139 V140 V145 S146 I147	P139-A143 WeakPolarHBondContact O-CB 3.42Å; P139-A143 PolarHBondContact O-N 2.91Å; V140-A143 PolarHBondContact O-N 3.31Å; A143-V145 PolarHBondContact O-N 3.32Å; A143-S146 PolarHBondContact O-N 3.46Å; A143-I147 HydrophobicContact CB-CD1 4.47Å; A143-I147 VanDerWaalsContact O-CB 3.27Å; A143-I147 WeakPolarHBondContact O-CB 3.48Å; A143-I147 WeakPolarHBondContact O-CD1 3.34Å; A143-I147 WeakPolarHBondContact O-CG1 3.28Å; A143-I147 PolarHBondContact O-N 3.49Å
144	A	46.5	Very low	48.1	Very low	48 Å²	48	74.1 Å²	74.1	40%	0.397	42%	0.415	S	S	.	.	H	α-helix	trans	-58.5	-49.6	177.2	0	0	0	0	0	111.5	V140 L141 S146 I147 S148	V140-A144 WeakPolarHBondContact O-CB 3.46Å; V140-A144 PolarHBondContact O-N 3.27Å; L141-A144 PolarHBondContact O-N 3.3Å; A144-S146 PolarHBondContact O-N 3.3Å; A144-I147 PolarHBondContact O-N 3.18Å; A144-S148 WeakPolarHBondContact O-CB 3.12Å; A144-S148 PolarHBondContact O-N 3.45Å; A144-S148 PolarHBondContact O-OG 2.94Å
145	V	48.9	Very low	48.3	Very low	36 Å²	36	70 Å²	70	22%	0.218	41%	0.408	C	S	.	.	H	α-helix	trans	-59.5	-49.9	178.2	169.3	0	0	0	0	110.6	L141 A143 I147 S148 F149	L141-V145 WeakPolarHBondContact O-CB 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.19Å; L141-V145 PolarHBondContact O-N 3.04Å; A143-V145 PolarHBondContact O-N 3.32Å; V145-I147 PolarHBondContact O-N 3.04Å; V145-S148 PolarHBondContact O-N 3.31Å; V145-F149 HydrophobicContact CG1-CD2 3.66Å; V145-F149 HydrophobicContact CG1-CE2 3.36Å; V145-F149 WeakPolarHBondContact O-CD2 3.21Å; V145-F149 PolarHBondContact O-N 2.79Å
146	S	47.9	Very low	48.4	Very low	13 Å²	13	68.1 Å²	68.1	9%	0.091	40%	0.396	C	S	.	.	H	α-helix	trans	-62.6	-40.5	180	-53.6	0	0	0	0	112.6	S142 A143 A144 F149 I150	S142-S146 WeakPolarHBondContact O-CB 3.46Å; S142-S146 PolarHBondContact O-N 2.83Å; S142-S146 PolarHBondContact O-OG 2.9Å; A143-S146 PolarHBondContact O-N 3.46Å; A144-S146 PolarHBondContact O-N 3.3Å; S146-F149 WeakPolarHBondContact O-CB 3.34Å; S146-F149 PolarHBondContact O-N 3.33Å; S146-I150 VanDerWaalsContact O-CG1 3.31Å; S146-I150 WeakPolarHBondContact O-CG1 3.4Å; S146-I150 PolarHBondContact O-N 3.41Å
147	I	48.4	Very low	48.4	Very low	93 Å²	93	59.4 Å²	59.4	48%	0.477	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-43	177	-69.1	164.8	0	0	0	110.4	A143 A144 V145 F149 I150 I151	A143-I147 HydrophobicContact CB-CD1 4.47Å; A143-I147 VanDerWaalsContact O-CB 3.27Å; A143-I147 WeakPolarHBondContact O-CB 3.48Å; A143-I147 WeakPolarHBondContact O-CD1 3.34Å; A143-I147 WeakPolarHBondContact O-CG1 3.28Å; A143-I147 PolarHBondContact O-N 3.49Å; A144-I147 PolarHBondContact O-N 3.18Å; V145-I147 PolarHBondContact O-N 3.04Å; I147-F149 VanDerWaalsContact C-N 3.27Å; I147-F149 PolarHBondContact O-N 2.86Å; I147-I150 PolarHBondContact O-N 3.42Å; I147-I151 HydrophobicContact CG2-CD1 3.66Å; I147-I151 HydrophobicContact CG2-CG1 4.3Å; I147-I151 VanDerWaalsContact O-CG1 3.27Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 2.95Å
148	S	48.9	Very low	48.4	Very low	67 Å²	67	61.1 Å²	61.1	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-58.7	-40.5	174.2	-60.9	0	0	0	0	111.5	A144 V145 I151 V152	A144-S148 WeakPolarHBondContact O-CB 3.12Å; A144-S148 PolarHBondContact O-N 3.45Å; A144-S148 PolarHBondContact O-OG 2.94Å; V145-S148 PolarHBondContact O-N 3.31Å; S148-I151 PolarHBondContact O-N 3.44Å; S148-V152 WeakPolarHBondContact O-CB 3.37Å; S148-V152 VanDerWaalsContact O-CG2 3.22Å; S148-V152 WeakPolarHBondContact O-CG2 3.49Å; S148-V152 PolarHBondContact O-N 2.81Å
149	F	51.1	Low	48.5	Very low	33 Å²	33	58.4 Å²	58.4	15%	0.145	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-45	174.3	-85.2	-71.8	0	0	0	113.1	F124 V145 S146 I147 I151 V152 G153 L198	F124-F149 HydrophobicContact CD1-CE1 4.5Å; F124-F149 HydrophobicContact CE1-CD1 4.03Å; F124-F149 HydrophobicContact CE1-CD2 4.42Å; F124-F149 AromaticContact CE1-CE1 3.59Å; F124-F149 HydrophobicContact CE1-CE1 3.59Å; F124-F149 HydrophobicContact CE1-CE2 4.1Å; F124-F149 HydrophobicContact CE1-CG 4.4Å; F124-F149 AromaticContact CE1-CZ 3.65Å; F124-F149 HydrophobicContact CE1-CZ 3.65Å; F124-F149 HydrophobicContact CZ-CE1 4.21Å; F124-F149 HydrophobicContact CZ-CZ 4.23Å; V145-F149 HydrophobicContact CG1-CD2 3.66Å; V145-F149 HydrophobicContact CG1-CE2 3.36Å; V145-F149 WeakPolarHBondContact O-CD2 3.21Å; V145-F149 PolarHBondContact O-N 2.79Å; S146-F149 WeakPolarHBondContact O-CB 3.34Å; S146-F149 PolarHBondContact O-N 3.33Å; I147-F149 VanDerWaalsContact C-N 3.27Å; I147-F149 PolarHBondContact O-N 2.86Å; F149-I151 VanDerWaalsContact C-N 3.33Å; F149-V152 PolarHBondContact O-N 2.88Å; F149-G153 PolarHBondContact O-N 3.43Å; F149-L198 HydrophobicContact CD1-CD1 4.15Å; F149-L198 HydrophobicContact CE1-CB 4.21Å; F149-L198 HydrophobicContact CE1-CD1 3.11Å; F149-L198 HydrophobicContact CE1-CG 4.2Å; F149-L198 HydrophobicContact CE2-CD1 4.33Å; F149-L198 HydrophobicContact CZ-CB 3.77Å; F149-L198 HydrophobicContact CZ-CD1 3.21Å; F149-L198 HydrophobicContact CZ-CG 4Å
150	I	48.3	Very low	48.6	Very low	67 Å²	67	54.3 Å²	54.3	34%	0.344	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-45.1	177.3	-68.5	163.4	0	0	0	109.7	V121 S146 I147 G153 L154	V121-I150 HydrophobicContact CG1-CB 4.43Å; V121-I150 HydrophobicContact CG1-CG1 3.68Å; S146-I150 VanDerWaalsContact O-CG1 3.31Å; S146-I150 WeakPolarHBondContact O-CG1 3.4Å; S146-I150 PolarHBondContact O-N 3.41Å; I147-I150 PolarHBondContact O-N 3.42Å; I150-G153 PolarHBondContact O-N 2.91Å; I150-L154 HydrophobicContact CG2-CD1 3.68Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 VanDerWaalsContact O-CB 3.26Å; I150-L154 WeakPolarHBondContact O-CB 3.5Å; I150-L154 WeakPolarHBondContact O-CD1 3.24Å; I150-L154 WeakPolarHBondContact O-CG 3.25Å; I150-L154 PolarHBondContact O-N 3.21Å
151	I	49	Very low	48.8	Very low	104 Å²	104	57.2 Å²	57.2	53%	0.533	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-45.4	178.9	-67	168	0	0	0	111.1	I147 S148 F149 L154 A155	I147-I151 HydrophobicContact CG2-CD1 3.66Å; I147-I151 HydrophobicContact CG2-CG1 4.3Å; I147-I151 VanDerWaalsContact O-CG1 3.27Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 2.95Å; S148-I151 PolarHBondContact O-N 3.44Å; F149-I151 VanDerWaalsContact C-N 3.33Å; I151-L154 PolarHBondContact O-N 3.27Å; I151-A155 WeakPolarHBondContact O-CB 3.39Å; I151-A155 PolarHBondContact O-N 2.91Å
152	V	52.4	Low	49	Very low	68 Å²	68	58.9 Å²	58.9	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-46	178.5	171.2	0	0	0	0	110.7	S148 F149 L154 A155 I156	S148-V152 WeakPolarHBondContact O-CB 3.37Å; S148-V152 VanDerWaalsContact O-CG2 3.22Å; S148-V152 WeakPolarHBondContact O-CG2 3.49Å; S148-V152 PolarHBondContact O-N 2.81Å; F149-V152 PolarHBondContact O-N 2.88Å; V152-L154 VanDerWaalsContact C-N 3.31Å; V152-L154 PolarHBondContact O-N 3.23Å; V152-A155 PolarHBondContact O-N 3.44Å; V152-I156 HydrophobicContact CG1-CD1 3.53Å; V152-I156 HydrophobicContact CG1-CG1 4.12Å; V152-I156 WeakPolarHBondContact O-CB 3.41Å; V152-I156 WeakPolarHBondContact O-CG1 3.33Å; V152-I156 PolarHBondContact O-N 2.87Å
153	G	51.2	Low	49.2	Very low	8 Å²	8	59.5 Å²	59.5	8%	0.082	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-41.1	176	0	0	0	0	0	112.3	F149 I150 S157 F205	F149-G153 PolarHBondContact O-N 3.43Å; I150-G153 PolarHBondContact O-N 2.91Å; G153-S157 VanDerWaalsContact O-CB 3.28Å; G153-S157 WeakPolarHBondContact O-CB 3.45Å; G153-S157 PolarHBondContact O-N 3.45Å; G153-S157 PolarHBondContact O-OG 3.22Å; G153-F205 WeakPolarHBondContact O-CZ 3.27Å
154	L	48.9	Very low	49.7	Very low	96 Å²	96	66 Å²	66	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-44.5	174	-75.6	167	0	0	0	112	I150 I151 V152 I156 S157 V158	I150-L154 HydrophobicContact CG2-CD1 3.68Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 VanDerWaalsContact O-CB 3.26Å; I150-L154 WeakPolarHBondContact O-CB 3.5Å; I150-L154 WeakPolarHBondContact O-CD1 3.24Å; I150-L154 WeakPolarHBondContact O-CG 3.25Å; I150-L154 PolarHBondContact O-N 3.21Å; I151-L154 PolarHBondContact O-N 3.27Å; V152-L154 VanDerWaalsContact C-N 3.31Å; V152-L154 PolarHBondContact O-N 3.23Å; L154-I156 PolarHBondContact O-N 2.72Å; L154-S157 WeakPolarHBondContact O-CB 3.43Å; L154-S157 PolarHBondContact O-N 2.98Å; L154-V158 WeakPolarHBondContact O-CB 3.45Å; L154-V158 WeakPolarHBondContact O-CG2 3.48Å; L154-V158 PolarHBondContact O-N 3.47Å
155	A	50.5	Low	49.8	Very low	61 Å²	61	68.8 Å²	68.8	50%	0.504	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-41.4	-179.6	0	0	0	0	0	111.8	I151 V152 G159	I151-A155 WeakPolarHBondContact O-CB 3.39Å; I151-A155 PolarHBondContact O-N 2.91Å; V152-A155 PolarHBondContact O-N 3.44Å; A155-G159 WeakPolarHBondContact O-CA 3.49Å; A155-G159 PolarHBondContact O-N 3.4Å
156	I	52.6	Low	49.8	Very low	20 Å²	20	74.9 Å²	74.9	10%	0.103	40%	0.399	C	S	.	.	H	α-helix	trans	-69.8	-43	175.2	-54.8	169.6	0	0	0	109	V152 L154 V158 G159 L160 I171 F205	V152-I156 HydrophobicContact CG1-CD1 3.53Å; V152-I156 HydrophobicContact CG1-CG1 4.12Å; V152-I156 WeakPolarHBondContact O-CB 3.41Å; V152-I156 WeakPolarHBondContact O-CG1 3.33Å; V152-I156 PolarHBondContact O-N 2.87Å; L154-I156 PolarHBondContact O-N 2.72Å; I156-V158 VanDerWaalsContact C-N 3.33Å; I156-V158 PolarHBondContact O-N 2.74Å; I156-G159 PolarHBondContact O-N 2.88Å; I156-L160 HydrophobicContact CG2-CD1 3.56Å; I156-L160 HydrophobicContact CG2-CG 4.16Å; I156-L160 WeakPolarHBondContact O-CB 3.25Å; I156-L160 WeakPolarHBondContact O-CD1 3.2Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 2.98Å; I156-I171 HydrophobicContact CG2-CG2 4.38Å; I156-F205 HydrophobicContact CB-CD1 4.1Å; I156-F205 HydrophobicContact CB-CE1 3.49Å; I156-F205 VanDerWaalsContact CB-CE1 3.49Å; I156-F205 HydrophobicContact CB-CZ 4.2Å; I156-F205 HydrophobicContact CD1-CD1 4.45Å; I156-F205 HydrophobicContact CG2-CD1 3.79Å; I156-F205 HydrophobicContact CG2-CE1 3.35Å; I156-F205 HydrophobicContact CG2-CZ 4.43Å
157	S	50.8	Low	49.7	Very low	35 Å²	35	76.9 Å²	76.9	25%	0.245	41%	0.411	C	S	.	.	H	α-helix	trans	-53.5	-48.7	174.4	-62.3	0	0	0	0	112	G153 L154 Y161 F205	G153-S157 VanDerWaalsContact O-CB 3.28Å; G153-S157 WeakPolarHBondContact O-CB 3.45Å; G153-S157 PolarHBondContact O-N 3.45Å; G153-S157 PolarHBondContact O-OG 3.22Å; L154-S157 WeakPolarHBondContact O-CB 3.43Å; L154-S157 PolarHBondContact O-N 2.98Å; S157-Y161 VanDerWaalsContact O-CB 3.27Å; S157-Y161 WeakPolarHBondContact O-CB 3.47Å; S157-Y161 PolarHBondContact O-N 2.73Å; S157-F205 WeakPolarHBondContact OG-CZ 3.42Å
158	V	49.2	Very low	49.6	Very low	79 Å²	79	72.8 Å²	72.8	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-70	-42.5	-179.5	172.6	0	0	0	0	110.4	L154 I156 L160 Y161 L162	L154-V158 WeakPolarHBondContact O-CB 3.45Å; L154-V158 WeakPolarHBondContact O-CG2 3.48Å; L154-V158 PolarHBondContact O-N 3.47Å; I156-V158 VanDerWaalsContact C-N 3.33Å; I156-V158 PolarHBondContact O-N 2.74Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.84Å; V158-Y161 WeakPolarHBondContact O-CB 3.28Å; V158-Y161 PolarHBondContact O-N 2.85Å; V158-L162 HydrophobicContact CG1-CD1 3.78Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CB 3.42Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.29Å
159	G	50.2	Low	49.4	Very low	23 Å²	23	74.7 Å²	74.7	24%	0.237	40%	0.395	C	S	.	.	H	α-helix	trans	-61.3	-41	177.6	0	0	0	0	0	112.4	A155 I156 L162 A163	A155-G159 WeakPolarHBondContact O-CA 3.49Å; A155-G159 PolarHBondContact O-N 3.4Å; I156-G159 PolarHBondContact O-N 2.88Å; G159-L162 PolarHBondContact O-N 2.88Å; G159-A163 WeakPolarHBondContact O-CB 3.35Å; G159-A163 PolarHBondContact O-N 2.87Å
160	L	49.5	Very low	49.2	Very low	22 Å²	22	79.3 Å²	79.3	12%	0.115	42%	0.417	C	S	.	.	H	α-helix	trans	-76.3	-28.3	176.2	-69.8	156.9	0	0	0	113.9	I156 V158 L162 A168 F205 S209 Q213	I156-L160 HydrophobicContact CG2-CD1 3.56Å; I156-L160 HydrophobicContact CG2-CG 4.16Å; I156-L160 WeakPolarHBondContact O-CB 3.25Å; I156-L160 WeakPolarHBondContact O-CD1 3.2Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 2.98Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.84Å; L160-L162 VanDerWaalsContact C-N 3.35Å; L160-A168 HydrophobicContact CD2-CB 3.55Å; L160-F205 HydrophobicContact CD1-CE1 3.95Å; L160-S209 WeakPolarHBondContact CD1-OG 3.19Å; L160-Q213 PolarHBondContact O-NE2 2.91Å
161	Y	47.6	Very low	49.1	Very low	178 Å²	178	78.1 Å²	78.1	70%	0.698	41%	0.411	S	S	*	.	H	α-helix	trans	-67.2	-38.9	171.8	-179.6	-96.3	0	0	0	110.9	S157 V158	S157-Y161 VanDerWaalsContact O-CB 3.27Å; S157-Y161 WeakPolarHBondContact O-CB 3.47Å; S157-Y161 PolarHBondContact O-N 2.73Å; V158-Y161 WeakPolarHBondContact O-CB 3.28Å; V158-Y161 PolarHBondContact O-N 2.85Å
162	L	50.8	Low	49	Very low	133 Å²	133	75.9 Å²	75.9	70%	0.696	40%	0.4	S	S	*	.	H	α-helix	trans	-87.2	-27.4	-178.3	-68.2	171.1	0	0	0	113.7	V158 G159 L160	V158-L162 HydrophobicContact CG1-CD1 3.78Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CB 3.42Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.29Å; G159-L162 PolarHBondContact O-N 2.88Å; L160-L162 VanDerWaalsContact C-N 3.35Å
163	A	47.7	Very low	48.7	Very low	22 Å²	22	77.5 Å²	77.5	18%	0.182	41%	0.406	C	S	.	.	S	Bend	trans	-107.9	121.9	-169.5	0	0	0	0	0	114.3	G159 V167 Q213	G159-A163 WeakPolarHBondContact O-CB 3.35Å; G159-A163 PolarHBondContact O-N 2.87Å; A163-V167 HydrophobicContact CB-CB 3.44Å; A163-V167 VanDerWaalsContact CB-CB 3.44Å; A163-V167 HydrophobicContact CB-CG1 3.92Å; A163-V167 HydrophobicContact CB-CG2 3.5Å; A163-Q213 PolarHBondContact O-NE2 3.47Å
164	Q	52.4	Low	48.5	Very low	180 Å²	180	82.8 Å²	82.8	84%	0.841	43%	0.427	S	S	*	.			trans	-52.5	146.1	166.5	-68.8	174.4	-15.1	0	0	111.1	Q166 V167	Q164-Q166 PolarHBondContact O-N 3.42Å; Q164-V167 PolarHBondContact O-N 2.91Å
165	K	48.8	Very low	48.4	Very low	107 Å²	107	79.4 Å²	79.4	47%	0.465	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-15.8	-32.5	-176.4	-75	173.3	170.6	164.8	0	119.8	H217	K165-H217 VanDerWaalsContact CE-CD2 3.46Å; K165-H217 WeakPolarHBondContact CE-CD2 3.02Å; K165-H217 PolarHBondContact NZ-CD2 3.49Å; K165-H217 PolarHBondContact NZ-NE2 3.42Å
166	Q	48.6	Very low	47.9	Very low	163 Å²	163	77.9 Å²	77.9	76%	0.762	40%	0.401	S	S	*	.	H	α-helix	trans	-72	-35	-175.4	-67.5	179.3	-14.9	0	0	114	Q164 L169 Q170	Q164-Q166 PolarHBondContact O-N 3.42Å; Q166-L169 PolarHBondContact O-N 2.87Å; Q166-Q170 PolarHBondContact O-N 3.34Å
167	V	47.4	Very low	47.3	Very low	55 Å²	55	83.2 Å²	83.2	33%	0.333	43%	0.425	S	S	.	.	H	α-helix	trans	-75.4	-31.2	-176.3	-179.3	0	0	0	0	111.7	A163 Q164 L169 Q170 I171	A163-V167 HydrophobicContact CB-CB 3.44Å; A163-V167 VanDerWaalsContact CB-CB 3.44Å; A163-V167 HydrophobicContact CB-CG1 3.92Å; A163-V167 HydrophobicContact CB-CG2 3.5Å; Q164-V167 PolarHBondContact O-N 2.91Å; V167-L169 VanDerWaalsContact C-N 3.28Å; V167-L169 PolarHBondContact O-N 2.84Å; V167-Q170 PolarHBondContact O-N 3.37Å; V167-I171 HydrophobicContact CG1-CD1 3.84Å; V167-I171 HydrophobicContact CG1-CG1 4.19Å; V167-I171 WeakPolarHBondContact O-CG1 3.16Å; V167-I171 PolarHBondContact O-N 3.44Å
168	A	45.2	Very low	46.8	Very low	7 Å²	7	86 Å²	86	6%	0.058	43%	0.434	C	S	.	.	H	α-helix	trans	-58.3	-40.9	175.6	0	0	0	0	0	112.1	L160 L172	L160-A168 HydrophobicContact CD2-CB 3.55Å; A168-L172 WeakPolarHBondContact O-CB 3.12Å; A168-L172 PolarHBondContact O-N 3.32Å
169	L	44.3	Very low	46.3	Very low	108 Å²	108	83.6 Å²	83.6	57%	0.565	42%	0.419	S	S	*	.	H	α-helix	trans	-68.9	-38.8	177.8	-165.2	78.8	0	0	0	111.9	Q166 V167 L172 L173	Q166-L169 PolarHBondContact O-N 2.87Å; V167-L169 VanDerWaalsContact C-N 3.28Å; V167-L169 PolarHBondContact O-N 2.84Å; L169-L172 HydrophobicContact CD1-CD2 4.45Å; L169-L172 WeakPolarHBondContact O-CB 3.31Å; L169-L172 PolarHBondContact O-N 3Å; L169-L173 HydrophobicContact CG-CD1 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.18Å; L169-L173 PolarHBondContact O-N 3.37Å
170	Q	47.6	Very low	45.5	Very low	129 Å²	129	93.4 Å²	93.4	60%	0.603	45%	0.448	S	S	*	.	H	α-helix	trans	-67	-40	176.8	-71.5	-179	-11.2	0	0	111.8	Q166 V167 L172 L173 F174	Q166-Q170 PolarHBondContact O-N 3.34Å; V167-Q170 PolarHBondContact O-N 3.37Å; Q170-L172 VanDerWaalsContact C-N 3.35Å; Q170-L173 PolarHBondContact O-N 2.88Å; Q170-F174 WeakPolarHBondContact O-CB 3.35Å; Q170-F174 PolarHBondContact O-N 3.46Å
171	I	46.9	Very low	45	Very low	42 Å²	42	97.3 Å²	97.3	22%	0.215	47%	0.473	C	S	.	.	H	α-helix	trans	-63.1	-43	173.5	-65.5	167.6	0	0	0	110.2	I156 V167 L173 F174 V175	I156-I171 HydrophobicContact CG2-CG2 4.38Å; V167-I171 HydrophobicContact CG1-CD1 3.84Å; V167-I171 HydrophobicContact CG1-CG1 4.19Å; V167-I171 WeakPolarHBondContact O-CG1 3.16Å; V167-I171 PolarHBondContact O-N 3.44Å; I171-L173 PolarHBondContact O-N 3.47Å; I171-F174 PolarHBondContact O-N 2.84Å; I171-V175 HydrophobicContact CG2-CG2 4.34Å; I171-V175 WeakPolarHBondContact O-CB 3.32Å; I171-V175 VanDerWaalsContact O-CG2 3.29Å; I171-V175 WeakPolarHBondContact O-CG2 3.18Å; I171-V175 PolarHBondContact O-N 3.5Å
172	L	46.4	Very low	44.8	Very low	57 Å²	57	94 Å²	94	30%	0.298	46%	0.464	S	S	.	.	H	α-helix	trans	-60	-44.4	176	-177.5	77.3	0	0	0	111.8	A168 L169 Q170 G176 I206	A168-L172 WeakPolarHBondContact O-CB 3.12Å; A168-L172 PolarHBondContact O-N 3.32Å; L169-L172 HydrophobicContact CD1-CD2 4.45Å; L169-L172 WeakPolarHBondContact O-CB 3.31Å; L169-L172 PolarHBondContact O-N 3Å; Q170-L172 VanDerWaalsContact C-N 3.35Å; L172-G176 PolarHBondContact O-N 3.23Å; L172-I206 HydrophobicContact CB-CG2 4.37Å; L172-I206 HydrophobicContact CD1-CB 4.39Å; L172-I206 HydrophobicContact CD1-CD1 3.97Å; L172-I206 HydrophobicContact CD1-CG2 3.6Å
173	L	46.2	Very low	44.3	Very low	102 Å²	102	93.7 Å²	93.7	53%	0.534	46%	0.455	S	S	.	.	H	α-helix	trans	-66.1	-40.3	176.8	-75.2	166.7	0	0	0	111.9	L169 Q170 I171 G176 Q177	L169-L173 HydrophobicContact CG-CD1 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.18Å; L169-L173 PolarHBondContact O-N 3.37Å; Q170-L173 PolarHBondContact O-N 2.88Å; I171-L173 PolarHBondContact O-N 3.47Å; L173-G176 PolarHBondContact O-N 3.39Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.5Å; L173-Q177 PolarHBondContact O-N 2.84Å
174	F	47.6	Very low	44.2	Very low	120 Å²	120	95.6 Å²	95.6	53%	0.526	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-47	178.1	-176.4	-99.5	0	0	0	111.6	Q170 I171 G176 Q177 Q178	Q170-F174 WeakPolarHBondContact O-CB 3.35Å; Q170-F174 PolarHBondContact O-N 3.46Å; I171-F174 PolarHBondContact O-N 2.84Å; F174-G176 VanDerWaalsContact C-N 3.33Å; F174-G176 PolarHBondContact O-N 3.45Å; F174-Q177 PolarHBondContact O-N 2.79Å; F174-Q177 VanDerWaalsContact O-N 3.16Å; F174-Q178 HydrophobicContact CD1-CG 4.33Å; F174-Q178 HydrophobicContact CE1-CG 3.99Å; F174-Q178 HydrophobicContact CZ-CG 4.2Å; F174-Q178 WeakPolarHBondContact O-CG 3.35Å; F174-Q178 PolarHBondContact O-N 2.82Å
175	V	45.4	Very low	43.9	Very low	24 Å²	24	93.6 Å²	93.6	15%	0.145	47%	0.469	C	S	.	.	H	α-helix	trans	-60.7	-44.3	174.4	170.4	0	0	0	0	110.5	I171 Q177 Q178 L179 I202 I206	I171-V175 HydrophobicContact CG2-CG2 4.34Å; I171-V175 WeakPolarHBondContact O-CB 3.32Å; I171-V175 VanDerWaalsContact O-CG2 3.29Å; I171-V175 WeakPolarHBondContact O-CG2 3.18Å; I171-V175 PolarHBondContact O-N 3.5Å; V175-Q177 VanDerWaalsContact C-N 3.26Å; V175-Q177 PolarHBondContact O-N 2.88Å; V175-Q178 PolarHBondContact O-N 3.43Å; V175-L179 HydrophobicContact CG1-CD1 4.2Å; V175-L179 WeakPolarHBondContact O-CB 3.37Å; V175-L179 PolarHBondContact O-N 2.88Å; V175-I202 HydrophobicContact CG1-CG2 3.56Å; V175-I202 HydrophobicContact CG2-CG2 4.24Å; V175-I206 HydrophobicContact CB-CD1 4.43Å; V175-I206 HydrophobicContact CG1-CD1 4.36Å; V175-I206 HydrophobicContact CG2-CD1 4.37Å
176	G	41	Very low	43.9	Very low	30 Å²	30	99.4 Å²	99.4	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-61.4	-30.1	175.6	0	0	0	0	0	114.2	L172 L173 F174 L179	L172-G176 PolarHBondContact O-N 3.23Å; L173-G176 PolarHBondContact O-N 3.39Å; F174-G176 VanDerWaalsContact C-N 3.33Å; F174-G176 PolarHBondContact O-N 3.45Å; G176-L179 WeakPolarHBondContact O-CB 3.2Å
177	Q	40.3	Very low	44.1	Very low	131 Å²	131	95.5 Å²	95.5	61%	0.612	47%	0.471	S	S	*	.	H	α-helix	trans	-76.9	-43.2	175.1	-77.8	177.4	-10.6	0	0	112.1	L173 F174 V175 L179 R180 T181	L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.5Å; L173-Q177 PolarHBondContact O-N 2.84Å; F174-Q177 PolarHBondContact O-N 2.79Å; F174-Q177 VanDerWaalsContact O-N 3.16Å; V175-Q177 VanDerWaalsContact C-N 3.26Å; V175-Q177 PolarHBondContact O-N 2.88Å; Q177-L179 PolarHBondContact O-N 3.41Å; Q177-R180 WeakPolarHBondContact O-CB 3.35Å; Q177-R180 PolarHBondContact O-N 3.06Å; Q177-T181 PolarHBondContact O-OG1 3.2Å
178	Q	39.3	Very low	44.3	Very low	93 Å²	93	98.2 Å²	98.2	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-34.4	175.9	-66.7	-64.1	-21.5	0	0	111.8	F174 V175 R180 T181	F174-Q178 HydrophobicContact CD1-CG 4.33Å; F174-Q178 HydrophobicContact CE1-CG 3.99Å; F174-Q178 HydrophobicContact CZ-CG 4.2Å; F174-Q178 WeakPolarHBondContact O-CG 3.35Å; F174-Q178 PolarHBondContact O-N 2.82Å; V175-Q178 PolarHBondContact O-N 3.43Å; Q178-R180 PolarHBondContact O-N 3.33Å; Q178-T181 WeakPolarHBondContact CA-OG1 3.2Å; Q178-T181 PolarHBondContact O-N 3.37Å; Q178-T181 PolarHBondContact O-OG1 2.83Å
179	L	38.4	Very low	44.3	Very low	30 Å²	30	102.3 Å²	102.3	16%	0.157	51%	0.509	C	S	.	.	H	α-helix	trans	-56.1	-33.6	171.8	-99.6	154.8	0	0	0	114.3	V175 G176 Q177 Y195 M199 Y203	V175-L179 HydrophobicContact CG1-CD1 4.2Å; V175-L179 WeakPolarHBondContact O-CB 3.37Å; V175-L179 PolarHBondContact O-N 2.88Å; G176-L179 WeakPolarHBondContact O-CB 3.2Å; Q177-L179 PolarHBondContact O-N 3.41Å; L179-Y195 WeakPolarHBondContact CA-OH 3.28Å; L179-Y195 HydrophobicContact CD2-CE1 4.12Å; L179-Y195 PolarHBondContact O-OH 2.95Å; L179-M199 HydrophobicContact CB-CE 4.42Å; L179-M199 HydrophobicContact CD1-CE 4.35Å; L179-M199 HydrophobicContact CD1-SD 3.76Å; L179-M199 HydrophobicContact CD2-CB 4.41Å; L179-M199 HydrophobicContact CD2-CE 3.4Å; L179-M199 VanDerWaalsContact CD2-CE 3.4Å; L179-M199 HydrophobicContact CD2-CG 3.58Å; L179-M199 HydrophobicContact CD2-SD 3.36Å; L179-M199 WeakPolarHBondContact CD2-SD 3.45Å; L179-M199 HydrophobicContact CG-CE 3.39Å; L179-M199 HydrophobicContact CG-CG 4.33Å; L179-M199 HydrophobicContact CG-SD 3.42Å; L179-M199 WeakPolarHBondContact CG-SD 3.26Å; L179-Y203 HydrophobicContact CD1-CE2 4.05Å
180	R	35.2	Very low	44.5	Very low	228 Å²	228	99.3 Å²	99.3	86%	0.86	50%	0.497	S	S	*	.	H	α-helix	trans	-78.8	-23.3	-177.2	-114.3	-177.6	176.4	-173.1	-0.7	112.8	Q177 Q178	Q177-R180 WeakPolarHBondContact O-CB 3.35Å; Q177-R180 PolarHBondContact O-N 3.06Å; Q178-R180 PolarHBondContact O-N 3.33Å
181	T	38.8	Very low	44.4	Very low	105 Å²	105	96.1 Å²	96.1	64%	0.644	48%	0.484	S	S	*	.	H	α-helix	trans	-90.7	-17.1	-168.2	24.1	0	0	0	0	115.1	Q177 Q178	Q177-T181 PolarHBondContact O-OG1 3.2Å; Q178-T181 WeakPolarHBondContact CA-OG1 3.2Å; Q178-T181 PolarHBondContact O-N 3.37Å; Q178-T181 PolarHBondContact O-OG1 2.83Å
182	E	43.6	Very low	44.4	Very low	109 Å²	109	95.6 Å²	95.6	51%	0.509	48%	0.48	S	S	.	.			trans	-104.6	6.1	-171.2	-76.4	-172.8	157	0	0	116.2	S184 M187 Y195	E182-S184 PolarHBondContact O-N 3.22Å; E182-M187 WeakPolarHBondContact O-CE 3.45Å; E182-Y195 HydrophobicContact CB-CE2 4.34Å
183	Y	39.4	Very low	44.5	Very low	125 Å²	125	93.9 Å²	93.9	49%	0.49	47%	0.471	S	S	.	.			trans	-73.8	89	175.1	-99.7	-91.7	0	0	0	111.6	Y192 Y195	Y183-Y192 AromaticContact CE1-CE2 3.93Å; Y183-Y192 HydrophobicContact CE1-CE2 3.93Å; Y183-Y192 AromaticContact CZ-CE2 3.98Å; Y183-Y192 VanDerWaalsContact OH-CE2 3.31Å; Y183-Y192 WeakPolarHBondContact OH-CE2 3.2Å; Y183-Y195 AromaticContact CE2-CE1 3.97Å; Y183-Y195 HydrophobicContact CE2-CE1 3.97Å
184	S	46.1	Very low	44.6	Very low	63 Å²	63	91 Å²	91	44%	0.441	46%	0.456	S	S	.	.			trans	-95.7	126.3	165.1	-176	0	0	0	0	109.7	E182 R186 M187	E182-S184 PolarHBondContact O-N 3.22Å; S184-R186 PolarHBondContact O-N 2.99Å; S184-M187 PolarHBondContact O-N 3.34Å
185	P	45.1	Very low	44.7	Very low	137 Å²	137	86.3 Å²	86.3	89%	0.89	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	5	-179.7	25.3	-33.1	0	0	0	114.5
186	R	50.2	Low	44.8	Very low	229 Å²	229	85.9 Å²	85.9	86%	0.864	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	3.6	177.4	-65.2	-176	-179.7	169.2	0.8	114.4	S184	S184-R186 PolarHBondContact O-N 2.99Å
187	M	52.2	Low	45.2	Very low	82 Å²	82	84.9 Å²	84.9	40%	0.404	42%	0.421	S	S	.	.			trans	-66.4	138	179.5	-81.5	-178.4	169.1	0	0	112.5	E182 S184 D191	E182-M187 WeakPolarHBondContact O-CE 3.45Å; S184-M187 PolarHBondContact O-N 3.34Å; M187-D191 HydrophobicContact CB-CB 4.45Å
188	L	51.2	Low	45.7	Very low	111 Å²	111	80.9 Å²	80.9	58%	0.581	40%	0.404	S	S	*	.			trans	-69.3	152	175.5	-72.2	155.3	0	0	0	110.1	S190 D191 Y192	L188-S190 PolarHBondContact O-N 3.25Å; L188-S190 VanDerWaalsContact O-N 3.1Å; L188-D191 WeakPolarHBondContact CB-OD2 3.37Å; L188-D191 PolarHBondContact N-OD2 3.16Å; L188-D191 WeakPolarHBondContact O-CB 3.27Å; L188-D191 PolarHBondContact O-N 3.01Å; L188-Y192 PolarHBondContact O-N 2.83Å; L188-Y192 VanDerWaalsContact O-N 3.08Å
189	P	45.7	Very low	46.2	Very low	94 Å²	94	77.5 Å²	77.5	61%	0.61	39%	0.388	S	S	*	.	H	α-helix	trans	-56.9	-28.7	178.7	-24.8	33.2	0	0	0	114	I193	P189-I193 WeakPolarHBondContact O-CG1 3.12Å; P189-I193 PolarHBondContact O-N 2.89Å
190	S	47.4	Very low	46.8	Very low	45 Å²	45	76.8 Å²	76.8	32%	0.315	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-41.7	173	49	0	0	0	0	112.4	L188 Y192 I193 L194	L188-S190 PolarHBondContact O-N 3.25Å; L188-S190 VanDerWaalsContact O-N 3.1Å; S190-Y192 VanDerWaalsContact C-N 3.31Å; S190-I193 PolarHBondContact O-N 3.13Å; S190-L194 WeakPolarHBondContact O-CB 3.21Å; S190-L194 PolarHBondContact O-N 3.34Å
191	D	46.4	Very low	47.6	Very low	61 Å²	61	66.9 Å²	66.9	33%	0.326	35%	0.353	S	S	.	.	H	α-helix	trans	-71.8	-35.3	-176.9	-53.1	-16.5	0	0	0	109.3	M187 L188 L194 Y195	M187-D191 HydrophobicContact CB-CB 4.45Å; L188-D191 WeakPolarHBondContact CB-OD2 3.37Å; L188-D191 PolarHBondContact N-OD2 3.16Å; L188-D191 WeakPolarHBondContact O-CB 3.27Å; L188-D191 PolarHBondContact O-N 3.01Å; D191-L194 PolarHBondContact O-N 2.89Å; D191-Y195 WeakPolarHBondContact O-CB 3.31Å; D191-Y195 PolarHBondContact O-N 3.2Å
192	Y	46.4	Very low	48.2	Very low	32 Å²	32	63.2 Å²	63.2	13%	0.125	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-45.6	173	-170.8	-97	0	0	0	112.6	L20 F23 Y183 L188 S190 Y195 A196	L20-Y192 HydrophobicContact CD1-CD1 4.31Å; L20-Y192 HydrophobicContact CD1-CD2 4.27Å; L20-Y192 HydrophobicContact CD1-CE1 3.8Å; L20-Y192 HydrophobicContact CD1-CE2 3.79Å; L20-Y192 HydrophobicContact CG-CE1 4.28Å; L20-Y192 HydrophobicContact CG-CE2 4.38Å; F23-Y192 HydrophobicContact CD1-CD1 4.44Å; F23-Y192 AromaticContact CD1-CE1 3.47Å; F23-Y192 HydrophobicContact CD1-CE1 3.47Å; F23-Y192 VanDerWaalsContact CD1-CE1 3.47Å; F23-Y192 HydrophobicContact CE1-CD1 4.39Å; F23-Y192 AromaticContact CE1-CE1 3.67Å; F23-Y192 HydrophobicContact CE1-CE1 3.67Å; F23-Y192 HydrophobicContact CG-CE1 4.13Å; F23-Y192 HydrophobicContact CZ-CE1 4.49Å; Y183-Y192 AromaticContact CE1-CE2 3.93Å; Y183-Y192 HydrophobicContact CE1-CE2 3.93Å; Y183-Y192 AromaticContact CZ-CE2 3.98Å; Y183-Y192 VanDerWaalsContact OH-CE2 3.31Å; Y183-Y192 WeakPolarHBondContact OH-CE2 3.2Å; L188-Y192 PolarHBondContact O-N 2.83Å; L188-Y192 VanDerWaalsContact O-N 3.08Å; S190-Y192 VanDerWaalsContact C-N 3.31Å; Y192-Y195 PolarHBondContact O-N 3.39Å; Y192-A196 WeakPolarHBondContact O-CB 3.39Å; Y192-A196 PolarHBondContact O-N 2.91Å
193	I	47.6	Very low	48.6	Very low	21 Å²	21	62.3 Å²	62.3	11%	0.108	32%	0.322	C	S	.	.	H	α-helix	trans	-64.1	-45.6	176.2	-67.7	168.6	0	0	0	109.9	F82 L84 M131 P189 S190 Y195 A196 V197	F82-I193 HydrophobicContact CD1-CD1 3.9Å; F82-I193 HydrophobicContact CE1-CD1 3.73Å; L84-I193 HydrophobicContact CD1-CD1 4.35Å; M131-I193 HydrophobicContact SD-CG2 4.45Å; P189-I193 WeakPolarHBondContact O-CG1 3.12Å; P189-I193 PolarHBondContact O-N 2.89Å; S190-I193 PolarHBondContact O-N 3.13Å; I193-Y195 VanDerWaalsContact C-N 3.3Å; I193-Y195 PolarHBondContact O-N 2.97Å; I193-A196 PolarHBondContact O-N 2.88Å; I193-V197 HydrophobicContact CG2-CG2 4.18Å; I193-V197 VanDerWaalsContact O-CB 3.27Å; I193-V197 WeakPolarHBondContact O-CB 3.14Å; I193-V197 WeakPolarHBondContact O-CG2 3.33Å; I193-V197 PolarHBondContact O-N 3.46Å
194	L	49.3	Very low	49.2	Very low	42 Å²	42	57.4 Å²	57.4	22%	0.22	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-43	178.4	-174.1	65.8	0	0	0	111.2	M131 F132 S190 D191 V197 L198	M131-L194 HydrophobicContact CE-CD1 4.39Å; F132-L194 HydrophobicContact CZ-CD1 4.36Å; F132-L194 HydrophobicContact CZ-CD2 4.44Å; S190-L194 WeakPolarHBondContact O-CB 3.21Å; S190-L194 PolarHBondContact O-N 3.34Å; D191-L194 PolarHBondContact O-N 2.89Å; L194-V197 PolarHBondContact O-N 3.47Å; L194-L198 WeakPolarHBondContact O-CB 3.25Å; L194-L198 PolarHBondContact O-N 3.46Å
195	Y	48.6	Very low	49.5	Very low	21 Å²	21	55.5 Å²	55.5	8%	0.082	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-45.5	176.8	-172.3	-94.3	0	0	0	112	L179 E182 Y183 D191 Y192 I193 V197 L198 M199	L179-Y195 WeakPolarHBondContact CA-OH 3.28Å; L179-Y195 HydrophobicContact CD2-CE1 4.12Å; L179-Y195 PolarHBondContact O-OH 2.95Å; E182-Y195 HydrophobicContact CB-CE2 4.34Å; Y183-Y195 AromaticContact CE2-CE1 3.97Å; Y183-Y195 HydrophobicContact CE2-CE1 3.97Å; D191-Y195 WeakPolarHBondContact O-CB 3.31Å; D191-Y195 PolarHBondContact O-N 3.2Å; Y192-Y195 PolarHBondContact O-N 3.39Å; I193-Y195 VanDerWaalsContact C-N 3.3Å; I193-Y195 PolarHBondContact O-N 2.97Å; Y195-V197 VanDerWaalsContact C-N 3.32Å; Y195-V197 PolarHBondContact O-N 2.87Å; Y195-L198 HydrophobicContact CD2-CD2 4.32Å; Y195-L198 WeakPolarHBondContact O-CB 3.44Å; Y195-L198 PolarHBondContact O-N 3.33Å; Y195-M199 HydrophobicContact CD1-CG 4.02Å; Y195-M199 HydrophobicContact CD2-CE 4.26Å; Y195-M199 HydrophobicContact CE1-CE 3.81Å; Y195-M199 HydrophobicContact CE1-CG 3.84Å; Y195-M199 HydrophobicContact CE2-CE 3.49Å; Y195-M199 VanDerWaalsContact CE2-CE 3.49Å; Y195-M199 WeakPolarHBondContact O-CB 3.18Å; Y195-M199 WeakPolarHBondContact O-CG 3.37Å; Y195-M199 PolarHBondContact O-N 3.18Å; Y195-M199 VanDerWaalsContact OH-CE 3.28Å; Y195-M199 WeakPolarHBondContact OH-CE 3.23Å
196	A	47.9	Very low	49.8	Very low	14 Å²	14	49.3 Å²	49.3	12%	0.116	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-36.1	177.9	0	0	0	0	0	113	F23 Y192 I193 M199 S200	F23-A196 HydrophobicContact CE1-CB 3.27Å; F23-A196 HydrophobicContact CZ-CB 3.29Å; Y192-A196 WeakPolarHBondContact O-CB 3.39Å; Y192-A196 PolarHBondContact O-N 2.91Å; I193-A196 PolarHBondContact O-N 2.88Å; A196-M199 PolarHBondContact O-N 2.85Å; A196-S200 WeakPolarHBondContact O-CB 3.44Å; A196-S200 PolarHBondContact O-N 2.8Å; A196-S200 PolarHBondContact O-OG 2.7Å
197	V	49.9	Very low	49.9	Very low	9 Å²	9	40.2 Å²	40.2	6%	0.055	21%	0.214	C	C	.	.	H	α-helix	trans	-69	-43.9	175.5	171.1	0	0	0	0	110.6	V87 F124 M131 I193 L194 Y195 M199 S200 A201	V87-V197 HydrophobicContact CG1-CG2 3.7Å; V87-V197 HydrophobicContact CG2-CG2 4.29Å; F124-V197 HydrophobicContact CD2-CG1 4.38Å; F124-V197 HydrophobicContact CE2-CG1 3.28Å; F124-V197 WeakPolarHBondContact CE2-O 3.48Å; F124-V197 HydrophobicContact CZ-CB 4.49Å; F124-V197 HydrophobicContact CZ-CG1 3.42Å; F124-V197 VanDerWaalsContact CZ-CG1 3.42Å; F124-V197 WeakPolarHBondContact CZ-O 3.27Å; M131-V197 HydrophobicContact CE-CG1 4.45Å; I193-V197 HydrophobicContact CG2-CG2 4.18Å; I193-V197 VanDerWaalsContact O-CB 3.27Å; I193-V197 WeakPolarHBondContact O-CB 3.14Å; I193-V197 WeakPolarHBondContact O-CG2 3.33Å; I193-V197 PolarHBondContact O-N 3.46Å; L194-V197 PolarHBondContact O-N 3.47Å; Y195-V197 VanDerWaalsContact C-N 3.32Å; Y195-V197 PolarHBondContact O-N 2.87Å; V197-M199 VanDerWaalsContact C-N 3.34Å; V197-M199 PolarHBondContact O-N 3.08Å; V197-S200 PolarHBondContact O-N 3.38Å; V197-A201 WeakPolarHBondContact O-CB 3.49Å; V197-A201 PolarHBondContact O-N 3.23Å
198	L	50.4	Low	49.9	Very low	47 Å²	47	37.8 Å²	37.8	25%	0.246	20%	0.2	C	C	.	.	H	α-helix	trans	-53.2	-50.2	170	162.7	66	0	0	0	110.8	F149 L194 Y195 A201 I202	F149-L198 HydrophobicContact CD1-CD1 4.15Å; F149-L198 HydrophobicContact CE1-CB 4.21Å; F149-L198 HydrophobicContact CE1-CD1 3.11Å; F149-L198 HydrophobicContact CE1-CG 4.2Å; F149-L198 HydrophobicContact CE2-CD1 4.33Å; F149-L198 HydrophobicContact CZ-CB 3.77Å; F149-L198 HydrophobicContact CZ-CD1 3.21Å; F149-L198 HydrophobicContact CZ-CG 4Å; L194-L198 WeakPolarHBondContact O-CB 3.25Å; L194-L198 PolarHBondContact O-N 3.46Å; Y195-L198 HydrophobicContact CD2-CD2 4.32Å; Y195-L198 WeakPolarHBondContact O-CB 3.44Å; Y195-L198 PolarHBondContact O-N 3.33Å; L198-A201 PolarHBondContact O-N 2.84Å; L198-I202 HydrophobicContact CD1-CD1 3.55Å; L198-I202 HydrophobicContact CD1-CG1 4.3Å; L198-I202 HydrophobicContact CG-CD1 4.06Å; L198-I202 WeakPolarHBondContact O-CG1 3.16Å; L198-I202 PolarHBondContact O-N 3.42Å
199	M	50.5	Low	49.9	Very low	22 Å²	22	33 Å²	33	11%	0.108	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-42.4	-178.4	-68.3	-56.3	179	0	0	112.2	L179 Y195 A196 V197 A201 I202 Y203	L179-M199 HydrophobicContact CB-CE 4.42Å; L179-M199 HydrophobicContact CD1-CE 4.35Å; L179-M199 HydrophobicContact CD1-SD 3.76Å; L179-M199 HydrophobicContact CD2-CB 4.41Å; L179-M199 HydrophobicContact CD2-CE 3.4Å; L179-M199 VanDerWaalsContact CD2-CE 3.4Å; L179-M199 HydrophobicContact CD2-CG 3.58Å; L179-M199 HydrophobicContact CD2-SD 3.36Å; L179-M199 WeakPolarHBondContact CD2-SD 3.45Å; L179-M199 HydrophobicContact CG-CE 3.39Å; L179-M199 HydrophobicContact CG-CG 4.33Å; L179-M199 HydrophobicContact CG-SD 3.42Å; L179-M199 WeakPolarHBondContact CG-SD 3.26Å; Y195-M199 HydrophobicContact CD1-CG 4.02Å; Y195-M199 HydrophobicContact CD2-CE 4.26Å; Y195-M199 HydrophobicContact CE1-CE 3.81Å; Y195-M199 HydrophobicContact CE1-CG 3.84Å; Y195-M199 HydrophobicContact CE2-CE 3.49Å; Y195-M199 VanDerWaalsContact CE2-CE 3.49Å; Y195-M199 WeakPolarHBondContact O-CB 3.18Å; Y195-M199 WeakPolarHBondContact O-CG 3.37Å; Y195-M199 PolarHBondContact O-N 3.18Å; Y195-M199 VanDerWaalsContact OH-CE 3.28Å; Y195-M199 WeakPolarHBondContact OH-CE 3.23Å; A196-M199 PolarHBondContact O-N 2.85Å; V197-M199 VanDerWaalsContact C-N 3.34Å; V197-M199 PolarHBondContact O-N 3.08Å; M199-A201 VanDerWaalsContact C-N 3.3Å; M199-A201 PolarHBondContact O-N 3.2Å; M199-I202 PolarHBondContact O-N 3.42Å; M199-I202 HydrophobicContact SD-CD1 4.26Å; M199-Y203 WeakPolarHBondContact O-CB 3.31Å; M199-Y203 WeakPolarHBondContact O-CD2 3.22Å; M199-Y203 PolarHBondContact O-N 3.4Å
200	S	51.5	Low	50.2	Low	15 Å²	15	31 Å²	31	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-39.9	176.7	-58.7	0	0	0	0	111.9	T27 A196 V197 Y203 L204	T27-S200 WeakPolarHBondContact CG2-OG 3.41Å; A196-S200 WeakPolarHBondContact O-CB 3.44Å; A196-S200 PolarHBondContact O-N 2.8Å; A196-S200 PolarHBondContact O-OG 2.7Å; V197-S200 PolarHBondContact O-N 3.38Å; S200-Y203 PolarHBondContact O-N 2.95Å; S200-L204 WeakPolarHBondContact O-CB 3.19Å; S200-L204 WeakPolarHBondContact O-CG 3.31Å; S200-L204 PolarHBondContact O-N 3.36Å
201	A	51.1	Low	50.4	Low	21 Å²	21	30.1 Å²	30.1	17%	0.174	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-42.9	176.4	0	0	0	0	0	112.6	F124 V197 L198 M199 Y203 L204 F205	F124-A201 HydrophobicContact CD2-CB 3.9Å; F124-A201 HydrophobicContact CE1-CB 4.13Å; F124-A201 HydrophobicContact CE2-CB 3.41Å; F124-A201 VanDerWaalsContact CE2-CB 3.41Å; F124-A201 HydrophobicContact CG-CB 4.41Å; F124-A201 HydrophobicContact CZ-CB 3.51Å; V197-A201 WeakPolarHBondContact O-CB 3.49Å; V197-A201 PolarHBondContact O-N 3.23Å; L198-A201 PolarHBondContact O-N 2.84Å; M199-A201 VanDerWaalsContact C-N 3.3Å; M199-A201 PolarHBondContact O-N 3.2Å; A201-Y203 VanDerWaalsContact C-N 3.32Å; A201-Y203 PolarHBondContact O-N 2.96Å; A201-L204 PolarHBondContact O-N 3.38Å; A201-F205 VanDerWaalsContact O-CB 3.23Å; A201-F205 WeakPolarHBondContact O-CB 3.01Å; A201-F205 PolarHBondContact O-N 3.19Å
202	I	52.3	Low	50.5	Low	28 Å²	28	27.8 Å²	27.8	14%	0.144	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-43	175.3	-66.3	164.3	0	0	0	110.3	V175 L198 M199 F205 I206	V175-I202 HydrophobicContact CG1-CG2 3.56Å; V175-I202 HydrophobicContact CG2-CG2 4.24Å; L198-I202 HydrophobicContact CD1-CD1 3.55Å; L198-I202 HydrophobicContact CD1-CG1 4.3Å; L198-I202 HydrophobicContact CG-CD1 4.06Å; L198-I202 WeakPolarHBondContact O-CG1 3.16Å; L198-I202 PolarHBondContact O-N 3.42Å; M199-I202 PolarHBondContact O-N 3.42Å; M199-I202 HydrophobicContact SD-CD1 4.26Å; I202-F205 PolarHBondContact O-N 3.02Å; I202-I206 HydrophobicContact CG2-CD1 3.62Å; I202-I206 HydrophobicContact CG2-CG1 4.31Å; I202-I206 VanDerWaalsContact O-CG1 3.28Å; I202-I206 WeakPolarHBondContact O-CG1 3.4Å; I202-I206 PolarHBondContact O-N 3.37Å
203	Y	51.1	Low	50.7	Low	89 Å²	89	27.9 Å²	27.9	35%	0.349	14%	0.143	S	C	.	.	H	α-helix	trans	-62.8	-47.4	176.1	-85.1	-65.1	0	0	0	112.6	L31 L179 M199 S200 A201 F205 I206 F207	L31-Y203 HydrophobicContact CD1-CD2 4.46Å; L31-Y203 HydrophobicContact CD2-CG 4.22Å; L179-Y203 HydrophobicContact CD1-CE2 4.05Å; M199-Y203 WeakPolarHBondContact O-CB 3.31Å; M199-Y203 WeakPolarHBondContact O-CD2 3.22Å; M199-Y203 PolarHBondContact O-N 3.4Å; S200-Y203 PolarHBondContact O-N 2.95Å; A201-Y203 VanDerWaalsContact C-N 3.32Å; A201-Y203 PolarHBondContact O-N 2.96Å; Y203-F205 PolarHBondContact O-N 3.27Å; Y203-I206 PolarHBondContact O-N 3.35Å; Y203-F207 WeakPolarHBondContact O-CB 3.45Å; Y203-F207 PolarHBondContact O-N 2.85Å
204	L	52.9	Low	50.9	Low	22 Å²	22	32.5 Å²	32.5	12%	0.115	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-42.2	175.1	-83.9	166.8	0	0	0	111.3	M34 L91 S200 A201 F207 Y208	M34-L204 HydrophobicContact CE-CD2 3.82Å; M34-L204 HydrophobicContact CE-CG 4.46Å; M34-L204 HydrophobicContact SD-CD2 3.66Å; L91-L204 HydrophobicContact CD2-CD1 3.53Å; S200-L204 WeakPolarHBondContact O-CB 3.19Å; S200-L204 WeakPolarHBondContact O-CG 3.31Å; S200-L204 PolarHBondContact O-N 3.36Å; A201-L204 PolarHBondContact O-N 3.38Å; L204-F207 PolarHBondContact O-N 2.88Å; L204-Y208 WeakPolarHBondContact O-CB 3.36Å; L204-Y208 PolarHBondContact O-N 2.76Å
205	F	52.1	Low	50.9	Low	23 Å²	23	34.6 Å²	34.6	10%	0.101	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-47.4	179.7	-172.4	-79.9	0	0	0	112	T117 G153 I156 S157 L160 A201 I202 Y203 F207 Y208 S209	T117-F205 HydrophobicContact CG2-CD2 4.37Å; T117-F205 HydrophobicContact CG2-CE2 3.53Å; T117-F205 HydrophobicContact CG2-CZ 4.35Å; G153-F205 WeakPolarHBondContact O-CZ 3.27Å; I156-F205 HydrophobicContact CB-CD1 4.1Å; I156-F205 HydrophobicContact CB-CE1 3.49Å; I156-F205 VanDerWaalsContact CB-CE1 3.49Å; I156-F205 HydrophobicContact CB-CZ 4.2Å; I156-F205 HydrophobicContact CD1-CD1 4.45Å; I156-F205 HydrophobicContact CG2-CD1 3.79Å; I156-F205 HydrophobicContact CG2-CE1 3.35Å; I156-F205 HydrophobicContact CG2-CZ 4.43Å; S157-F205 WeakPolarHBondContact OG-CZ 3.42Å; L160-F205 HydrophobicContact CD1-CE1 3.95Å; A201-F205 VanDerWaalsContact O-CB 3.23Å; A201-F205 WeakPolarHBondContact O-CB 3.01Å; A201-F205 PolarHBondContact O-N 3.19Å; I202-F205 PolarHBondContact O-N 3.02Å; Y203-F205 PolarHBondContact O-N 3.27Å; F205-F207 VanDerWaalsContact C-N 3.33Å; F205-F207 PolarHBondContact O-N 2.93Å; F205-Y208 WeakPolarHBondContact O-CB 3.28Å; F205-Y208 PolarHBondContact O-N 2.97Å; F205-S209 WeakPolarHBondContact O-CB 3.28Å; F205-S209 PolarHBondContact O-N 2.84Å; F205-S209 VanDerWaalsContact O-N 3.13Å; F205-S209 PolarHBondContact O-OG 3.15Å
206	I	51.3	Low	50.7	Low	8 Å²	8	35.5 Å²	35.5	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-41.3	177.2	-64.4	162.4	0	0	0	110.7	L172 V175 I202 Y203 Y208 S209 I210	L172-I206 HydrophobicContact CB-CG2 4.37Å; L172-I206 HydrophobicContact CD1-CB 4.39Å; L172-I206 HydrophobicContact CD1-CD1 3.97Å; L172-I206 HydrophobicContact CD1-CG2 3.6Å; V175-I206 HydrophobicContact CB-CD1 4.43Å; V175-I206 HydrophobicContact CG1-CD1 4.36Å; V175-I206 HydrophobicContact CG2-CD1 4.37Å; I202-I206 HydrophobicContact CG2-CD1 3.62Å; I202-I206 HydrophobicContact CG2-CG1 4.31Å; I202-I206 VanDerWaalsContact O-CG1 3.28Å; I202-I206 WeakPolarHBondContact O-CG1 3.4Å; I202-I206 PolarHBondContact O-N 3.37Å; Y203-I206 PolarHBondContact O-N 3.35Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.2Å; I206-S209 WeakPolarHBondContact O-CB 3.49Å; I206-S209 PolarHBondContact O-N 3.49Å; I206-I210 HydrophobicContact CG2-CD1 3.88Å; I206-I210 HydrophobicContact CG2-CG1 4.46Å; I206-I210 WeakPolarHBondContact O-CG1 3.35Å; I206-I210 PolarHBondContact O-N 2.81Å
207	F	51.8	Low	50.7	Low	38 Å²	38	39.3 Å²	39.3	17%	0.167	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-40.3	177.5	-175.8	-96.1	0	0	0	112.4	M34 I35 T38 Y203 L204 F205 S209 I210 S211	M34-F207 HydrophobicContact CB-CE1 4.34Å; M34-F207 HydrophobicContact CB-CE2 4.36Å; M34-F207 HydrophobicContact CB-CZ 3.9Å; M34-F207 VanDerWaalsContact O-CZ 3.24Å; M34-F207 WeakPolarHBondContact O-CZ 3.01Å; I35-F207 HydrophobicContact CG1-CE2 4.47Å; T38-F207 HydrophobicContact CG2-CE2 4.07Å; T38-F207 HydrophobicContact CG2-CZ 4.11Å; T38-F207 WeakPolarHBondContact OG1-CE1 3.44Å; T38-F207 WeakPolarHBondContact OG1-CZ 3.24Å; Y203-F207 WeakPolarHBondContact O-CB 3.45Å; Y203-F207 PolarHBondContact O-N 2.85Å; L204-F207 PolarHBondContact O-N 2.88Å; F205-F207 VanDerWaalsContact C-N 3.33Å; F205-F207 PolarHBondContact O-N 2.93Å; F207-S209 VanDerWaalsContact C-N 3.27Å; F207-S209 PolarHBondContact O-N 2.87Å; F207-I210 PolarHBondContact O-N 3.28Å; F207-S211 WeakPolarHBondContact O-CB 3.34Å; F207-S211 PolarHBondContact O-N 3.1Å; F207-S211 PolarHBondContact O-OG 3.42Å
208	Y	52.8	Low	50.4	Low	30 Å²	30	45.3 Å²	45.3	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-48.5	173.8	-169.1	-138.1	0	0	0	111.9	Y98 M113 F116 T117 L204 F205 I206 I210 S211 V212	Y98-Y208 AromaticContact CE1-CD2 3.36Å; Y98-Y208 HydrophobicContact CE1-CD2 3.36Å; Y98-Y208 AromaticContact CE1-CE2 3.89Å; Y98-Y208 HydrophobicContact CE1-CE2 3.89Å; Y98-Y208 HydrophobicContact CE1-CG 4.2Å; Y98-Y208 AromaticContact CZ-CD2 3.49Å; Y98-Y208 VanDerWaalsContact CZ-CD2 3.49Å; Y98-Y208 AromaticContact CZ-CG 3.93Å; Y98-Y208 WeakPolarHBondContact OH-CB 3.33Å; Y98-Y208 WeakPolarHBondContact OH-CD2 3.43Å; M113-Y208 VanDerWaalsContact CA-OH 3.28Å; M113-Y208 WeakPolarHBondContact CA-OH 2.92Å; M113-Y208 HydrophobicContact CB-CE1 4.32Å; M113-Y208 HydrophobicContact CG-CE1 4.18Å; M113-Y208 WeakPolarHBondContact CG-OH 3.06Å; F116-Y208 HydrophobicContact CD1-CE1 4.47Å; F116-Y208 HydrophobicContact CD1-CE2 4.35Å; T117-Y208 WeakPolarHBondContact OG1-CE1 3.49Å; L204-Y208 WeakPolarHBondContact O-CB 3.36Å; L204-Y208 PolarHBondContact O-N 2.76Å; F205-Y208 WeakPolarHBondContact O-CB 3.28Å; F205-Y208 PolarHBondContact O-N 2.97Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.2Å; Y208-I210 VanDerWaalsContact C-N 3.33Å; Y208-I210 PolarHBondContact O-N 3.07Å; Y208-S211 WeakPolarHBondContact O-CB 3.37Å; Y208-S211 PolarHBondContact O-N 2.75Å; Y208-S211 VanDerWaalsContact O-N 3.15Å; Y208-V212 HydrophobicContact CD1-CG2 4.32Å; Y208-V212 HydrophobicContact CD2-CG2 3.99Å; Y208-V212 HydrophobicContact CE1-CG2 4.08Å; Y208-V212 HydrophobicContact CE2-CG2 3.82Å; Y208-V212 HydrophobicContact CG-CG2 4.3Å; Y208-V212 WeakPolarHBondContact O-CB 3.29Å; Y208-V212 VanDerWaalsContact O-CG2 3.29Å; Y208-V212 WeakPolarHBondContact O-CG2 3.38Å; Y208-V212 PolarHBondContact O-N 2.95Å
209	S	51.6	Low	50.1	Low	10 Å²	10	48.7 Å²	48.7	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-42.2	-172.9	-62	0	0	0	0	111.6	L160 F205 I206 F207 Q213	L160-S209 WeakPolarHBondContact CD1-OG 3.19Å; F205-S209 WeakPolarHBondContact O-CB 3.28Å; F205-S209 PolarHBondContact O-N 2.84Å; F205-S209 VanDerWaalsContact O-N 3.13Å; F205-S209 PolarHBondContact O-OG 3.15Å; I206-S209 WeakPolarHBondContact O-CB 3.49Å; I206-S209 PolarHBondContact O-N 3.49Å; F207-S209 VanDerWaalsContact C-N 3.27Å; F207-S209 PolarHBondContact O-N 2.87Å; S209-Q213 WeakPolarHBondContact O-CB 3.27Å; S209-Q213 WeakPolarHBondContact O-CG 3.46Å; S209-Q213 PolarHBondContact O-N 3.35Å
210	I	51.6	Low	49.8	Very low	52 Å²	52	55.1 Å²	55.1	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-49.7	173	-66.4	168.4	0	0	0	110	I206 F207 Y208 V212 Q213 F214	I206-I210 HydrophobicContact CG2-CD1 3.88Å; I206-I210 HydrophobicContact CG2-CG1 4.46Å; I206-I210 WeakPolarHBondContact O-CG1 3.35Å; I206-I210 PolarHBondContact O-N 2.81Å; F207-I210 PolarHBondContact O-N 3.28Å; Y208-I210 VanDerWaalsContact C-N 3.33Å; Y208-I210 PolarHBondContact O-N 3.07Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 2.84Å; I210-Q213 PolarHBondContact O-N 2.86Å; I210-Q213 VanDerWaalsContact O-N 3.11Å; I210-F214 HydrophobicContact CG2-CD2 3.68Å; I210-F214 HydrophobicContact CG2-CE2 3.61Å; I210-F214 VanDerWaalsContact O-CD2 3.28Å; I210-F214 WeakPolarHBondContact O-CD2 3.44Å; I210-F214 PolarHBondContact O-N 2.91Å
211	S	51.1	Low	49.5	Very low	27 Å²	27	57.8 Å²	57.8	19%	0.189	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-42	-179.2	-56.4	0	0	0	0	111.9	F207 Y208 F214 L215	F207-S211 WeakPolarHBondContact O-CB 3.34Å; F207-S211 PolarHBondContact O-N 3.1Å; F207-S211 PolarHBondContact O-OG 3.42Å; Y208-S211 WeakPolarHBondContact O-CB 3.37Å; Y208-S211 PolarHBondContact O-N 2.75Å; Y208-S211 VanDerWaalsContact O-N 3.15Å; S211-F214 PolarHBondContact O-N 3.42Å; S211-L215 WeakPolarHBondContact O-CG 3.45Å; S211-L215 PolarHBondContact O-N 2.84Å
212	V	49.2	Very low	48.9	Very low	12 Å²	12	60.8 Å²	60.8	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-46.2	174.6	157.5	0	0	0	0	112.2	M113 Y208 I210 F214 L215 N216	M113-V212 HydrophobicContact CE-CB 4.45Å; M113-V212 HydrophobicContact CE-CG1 3.38Å; M113-V212 HydrophobicContact CE-CG2 4.34Å; M113-V212 HydrophobicContact CG-CG1 4.32Å; M113-V212 HydrophobicContact CG-CG2 3.71Å; M113-V212 HydrophobicContact SD-CB 4.06Å; M113-V212 HydrophobicContact SD-CG1 3.19Å; M113-V212 WeakPolarHBondContact SD-CG1 3.13Å; M113-V212 HydrophobicContact SD-CG2 3.68Å; Y208-V212 HydrophobicContact CD1-CG2 4.32Å; Y208-V212 HydrophobicContact CD2-CG2 3.99Å; Y208-V212 HydrophobicContact CE1-CG2 4.08Å; Y208-V212 HydrophobicContact CE2-CG2 3.82Å; Y208-V212 HydrophobicContact CG-CG2 4.3Å; Y208-V212 WeakPolarHBondContact O-CB 3.29Å; Y208-V212 VanDerWaalsContact O-CG2 3.29Å; Y208-V212 WeakPolarHBondContact O-CG2 3.38Å; Y208-V212 PolarHBondContact O-N 2.95Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 2.84Å; V212-F214 VanDerWaalsContact C-N 3.27Å; V212-F214 PolarHBondContact O-N 2.93Å; V212-L215 PolarHBondContact O-N 3.34Å; V212-L215 VanDerWaalsContact O-N 3.16Å; V212-N216 PolarHBondContact O-N 3.48Å
213	Q	49.4	Very low	48	Very low	35 Å²	35	64.4 Å²	64.4	16%	0.164	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-37.5	178.6	-77.6	-173	-2.4	0	0	111.3	L160 A163 S209 I210 H217	L160-Q213 PolarHBondContact O-NE2 2.91Å; A163-Q213 PolarHBondContact O-NE2 3.47Å; S209-Q213 WeakPolarHBondContact O-CB 3.27Å; S209-Q213 WeakPolarHBondContact O-CG 3.46Å; S209-Q213 PolarHBondContact O-N 3.35Å; I210-Q213 PolarHBondContact O-N 2.86Å; I210-Q213 VanDerWaalsContact O-N 3.11Å; Q213-H217 WeakPolarHBondContact O-CB 3.32Å; Q213-H217 PolarHBondContact O-N 3.27Å; Q213-H217 VanDerWaalsContact O-N 3.15Å
214	F	52.2	Low	47	Very low	118 Å²	118	71 Å²	71	52%	0.518	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-38.4	173.6	-85.3	-75.3	0	0	0	112.9	I210 S211 V212	I210-F214 HydrophobicContact CG2-CD2 3.68Å; I210-F214 HydrophobicContact CG2-CE2 3.61Å; I210-F214 VanDerWaalsContact O-CD2 3.28Å; I210-F214 WeakPolarHBondContact O-CD2 3.44Å; I210-F214 PolarHBondContact O-N 2.91Å; S211-F214 PolarHBondContact O-N 3.42Å; V212-F214 VanDerWaalsContact C-N 3.27Å; V212-F214 PolarHBondContact O-N 2.93Å
215	L	48.8	Very low	45.8	Very low	85 Å²	85	74.7 Å²	74.7	45%	0.445	38%	0.375	S	S	.	.	H	α-helix	trans	-70	-44	176.7	-72.5	165.1	0	0	0	112.7	S211 V212 H217 R218	S211-L215 WeakPolarHBondContact O-CG 3.45Å; S211-L215 PolarHBondContact O-N 2.84Å; V212-L215 PolarHBondContact O-N 3.34Å; V212-L215 VanDerWaalsContact O-N 3.16Å; L215-H217 PolarHBondContact O-N 3.02Å; L215-R218 WeakPolarHBondContact O-CB 3.43Å; L215-R218 PolarHBondContact O-N 3.23Å
216	N	45.2	Very low	44.9	Very low	40 Å²	40	83.4 Å²	83.4	21%	0.214	44%	0.436	C	S	.	.	H	α-helix	trans	-66.1	-36.8	179.2	-88.6	-21.1	0	0	0	112.7	I109 V212 R218 H219 E220	I109-N216 WeakPolarHBondContact CG2-OD1 3.43Å; V212-N216 PolarHBondContact O-N 3.48Å; N216-R218 PolarHBondContact O-N 3.42Å; N216-R218 VanDerWaalsContact O-N 3.16Å; N216-H219 PolarHBondContact O-N 3.09Å; N216-E220 PolarHBondContact O-N 3.28Å
217	H	48	Very low	44.5	Very low	94 Å²	94	87.2 Å²	87.2	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-62.8	-23.6	178.7	-154.1	-61.1	0	0	0	112.5	K165 Q213 L215 S221	K165-H217 VanDerWaalsContact CE-CD2 3.46Å; K165-H217 WeakPolarHBondContact CE-CD2 3.02Å; K165-H217 PolarHBondContact NZ-CD2 3.49Å; K165-H217 PolarHBondContact NZ-NE2 3.42Å; Q213-H217 WeakPolarHBondContact O-CB 3.32Å; Q213-H217 PolarHBondContact O-N 3.27Å; Q213-H217 VanDerWaalsContact O-N 3.15Å; L215-H217 PolarHBondContact O-N 3.02Å; H217-S221 WeakPolarHBondContact O-CB 3.48Å; H217-S221 PolarHBondContact O-N 2.91Å; H217-S221 PolarHBondContact O-OG 3.16Å
218	R	42.9	Very low	44.1	Very low	135 Å²	135	89.7 Å²	89.7	51%	0.509	47%	0.471	S	S	.	.	H	α-helix	trans	-72.7	-37.1	174.4	-127.8	-170.7	-167.5	-174.4	7.8	112.3	C45 L215 N216 E220 S221 T222	C45-R218 PolarHBondContact O-NH2 3.36Å; C45-R218 PolarHBondContact SG-NH1 3.22Å; C45-R218 PolarHBondContact SG-NH2 2.59Å; C45-R218 VanDerWaalsContact SG-NH2 3.41Å; L215-R218 WeakPolarHBondContact O-CB 3.43Å; L215-R218 PolarHBondContact O-N 3.23Å; N216-R218 PolarHBondContact O-N 3.42Å; N216-R218 VanDerWaalsContact O-N 3.16Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.03Å; R218-S221 PolarHBondContact O-N 3.01Å; R218-T222 PolarHBondContact O-N 3.17Å; R218-T222 PolarHBondContact O-OG1 2.91Å; R218-T222 VanDerWaalsContact O-OG1 3.06Å
219	H	43.9	Very low	43.7	Very low	118 Å²	118	93.1 Å²	93.1	55%	0.546	49%	0.491	S	S	.	.	H	α-helix	trans	-69.7	-30.3	178.8	-100.2	-71.5	0	0	0	113.4	N216	N216-H219 PolarHBondContact O-N 3.09Å
220	E	44.9	Very low	43.2	Very low	158 Å²	158	97.9 Å²	97.9	74%	0.738	52%	0.515	S	S	*	.	H	α-helix	trans	-88.2	-18.1	177.4	-71.4	178.4	178.6	0	0	113.4	N216 R218	N216-E220 PolarHBondContact O-N 3.28Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.03Å
221	S	44.6	Very low	42.7	Very low	71 Å²	71	100.8 Å²	100.8	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-100.1	-3.8	-178.5	56.9	0	0	0	0	115.3	H217 R218 P223	H217-S221 WeakPolarHBondContact O-CB 3.48Å; H217-S221 PolarHBondContact O-N 2.91Å; H217-S221 PolarHBondContact O-OG 3.16Å; R218-S221 PolarHBondContact O-N 3.01Å; S221-P223 WeakPolarHBondContact O-CD 3.4Å
222	T	38.5	Very low	42.1	Very low	84 Å²	84	105.7 Å²	105.7	52%	0.515	55%	0.554	S	S	.	*			trans	-112.3	88.8	164.1	51.6	0	0	0	0	109.7	R218 Y224	R218-T222 PolarHBondContact O-N 3.17Å; R218-T222 PolarHBondContact O-OG1 2.91Å; R218-T222 VanDerWaalsContact O-OG1 3.06Å; T222-Y224 PolarHBondContact O-N 3.48Å
223	P	33.3	Very low	41.6	Very low	103 Å²	103	112.4 Å²	112.4	67%	0.669	59%	0.588	S	S	*	*			trans	-61.4	125.4	152.7	27.8	-28.5	0	0	0	106.1	S221 S225	S221-P223 WeakPolarHBondContact O-CD 3.4Å; P223-S225 PolarHBondContact O-N 3.4Å
224	Y	31.4	Very low	41	Very low	227 Å²	227	118.4 Å²	118.4	89%	0.89	62%	0.621	S	S	*	*			trans	-56.9	94.1	163.7	-78.3	-93	0	0	0	107.6	T222	T222-Y224 PolarHBondContact O-N 3.48Å
225	S	27.6	Very low	40.1	Very low	101 Å²	101	118.4 Å²	118.4	71%	0.706	63%	0.629	S	S	*	*			trans	-98.2	95.3	166.4	60.5	0	0	0	0	107.3	P223	P223-S225 PolarHBondContact O-N 3.4Å
226	C	31.9	Very low	39.3	Very low	205 Å²	205	121.5 Å²	121.5	100%	1.385	65%	0.646	S	S	*	*			trans	62.4	0	173.4	-60.8	0	0	0	0	117.1

Retrieved 226 of 226 residues in 90.9 ms (Link to these results)

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