G4VEV8_SCHMA Loading...

Oxidoreductase

AlphaFold DB , UniProt , Accession G4VEV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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	26.3	Very low	29.6	Very low	246 Å²	246	146.5 Å²	146.5	100%	1.212	71%	0.705	S	S	*	*				0	98.7	0	-126.5	170.7	166.5	0	0	107.7
2	V	24.9	Very low	30.3	Very low	115 Å²	115	135.1 Å²	135.1	70%	0.697	65%	0.652	S	S	*	*			trans	-110.6	116.1	172.7	179.8	0	0	0	0	106	W4	V2-W4 PolarHBondContact O-N 3.48Å; V2-W4 VanDerWaalsContact O-N 3.11Å
3	P	27	Very low	30.9	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	65%	0.647	S	S	*	*			trans	-75.6	105.7	-178.4	29.5	-28.9	0	0	0	108.1	N5	P3-N5 PolarHBondContact O-N 3.16Å
4	W	31.4	Very low	31.7	Very low	220 Å²	220	134.1 Å²	134.1	83%	0.833	65%	0.65	S	S	*	*			trans	-75.6	59.1	169	-76.4	82.9	0	0	0	110.1	V2 L6	V2-W4 PolarHBondContact O-N 3.48Å; V2-W4 VanDerWaalsContact O-N 3.11Å; W4-L6 VanDerWaalsContact C-N 3.35Å; W4-L6 HydrophobicContact CE3-CD1 4.46Å; W4-L6 PolarHBondContact O-N 3.43Å
5	N	26.6	Very low	32.5	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	64%	0.641	S	S	*	*			trans	-81	88.2	164.1	-96	-40	0	0	0	107.4	P3 H7	P3-N5 PolarHBondContact O-N 3.16Å; N5-H7 PolarHBondContact O-N 2.88Å
6	L	32.4	Very low	33.2	Very low	80 Å²	80	126.1 Å²	126.1	42%	0.419	61%	0.611	S	S	.	*			trans	-70.1	78.4	163.1	-124.8	122.4	0	0	0	107.1	W4 M8	W4-L6 VanDerWaalsContact C-N 3.35Å; W4-L6 HydrophobicContact CE3-CD1 4.46Å; W4-L6 PolarHBondContact O-N 3.43Å; L6-M8 VanDerWaalsContact C-N 3.3Å; L6-M8 HydrophobicContact CD2-CE 3.8Å; L6-M8 HydrophobicContact CD2-CG 4.3Å; L6-M8 HydrophobicContact CD2-SD 4.3Å; L6-M8 WeakPolarHBondContact O-CG 2.99Å; L6-M8 PolarHBondContact O-N 3.29Å
7	H	27	Very low	33.9	Very low	159 Å²	159	126.1 Å²	126.1	74%	0.736	61%	0.607	S	S	*	*			trans	-65.5	95.1	172.3	-139.3	78.1	0	0	0	107	N5 T9	N5-H7 PolarHBondContact O-N 2.88Å; H7-T9 PolarHBondContact O-N 3.11Å
8	M	32.4	Very low	34.6	Very low	68 Å²	68	120.5 Å²	120.5	34%	0.335	58%	0.581	S	S	.	*			trans	-73.4	96	-171	-70.1	-121.9	-165.8	0	0	110.8	L6 S12 I16 L47 R155	L6-M8 VanDerWaalsContact C-N 3.3Å; L6-M8 HydrophobicContact CD2-CE 3.8Å; L6-M8 HydrophobicContact CD2-CG 4.3Å; L6-M8 HydrophobicContact CD2-SD 4.3Å; L6-M8 WeakPolarHBondContact O-CG 2.99Å; L6-M8 PolarHBondContact O-N 3.29Å; M8-S12 WeakPolarHBondContact CA-OG 3.12Å; M8-S12 VanDerWaalsContact SD-CB 3.51Å; M8-I16 HydrophobicContact SD-CD1 4.39Å; M8-L47 HydrophobicContact CE-CD1 3.23Å; M8-L47 HydrophobicContact CE-CD2 3.59Å; M8-L47 HydrophobicContact CE-CG 3.99Å; M8-L47 HydrophobicContact SD-CD1 3.58Å; M8-L47 VanDerWaalsContact SD-CD1 3.58Å; M8-L47 HydrophobicContact SD-CD2 4.28Å; M8-R155 VanDerWaalsContact CE-NH1 3.27Å
9	T	32.1	Very low	35.3	Very low	78 Å²	78	116.8 Å²	116.8	48%	0.479	56%	0.564	S	S	.	*			trans	-93.2	172.2	168.8	51.9	0	0	0	0	109.1	H7 K11 S12	H7-T9 PolarHBondContact O-N 3.11Å; T9-K11 PolarHBondContact O-N 3.18Å; T9-S12 WeakPolarHBondContact O-CB 3.24Å; T9-S12 PolarHBondContact O-N 3.08Å; T9-S12 PolarHBondContact O-OG 3.21Å
10	R	30.8	Very low	35.9	Very low	235 Å²	235	111.1 Å²	111.1	89%	0.887	54%	0.536	S	S	*	.	H	α-helix	trans	-46.7	-21.8	172.9	-88.1	-176.4	174.8	-173.5	-1.2	114.2	S12	R10-S12 VanDerWaalsContact C-N 3.33Å
11	K	34.5	Very low	36.4	Very low	166 Å²	166	107.8 Å²	107.8	72%	0.722	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-37.4	171.4	-70	-174	175.5	-176.7	0	113	T9 V13 K14 Q15	T9-K11 PolarHBondContact O-N 3.18Å; K11-V13 PolarHBondContact O-N 2.92Å; K11-K14 PolarHBondContact O-N 3.39Å; K11-Q15 PolarHBondContact O-N 3.19Å
12	S	38.6	Very low	37.2	Very low	9 Å²	9	96.1 Å²	96.1	6%	0.063	46%	0.463	C	S	.	.	H	α-helix	trans	-66.6	-34.8	-179.2	-55.1	0	0	0	0	112.3	M8 T9 R10 K14 Q15 I16	M8-S12 WeakPolarHBondContact CA-OG 3.12Å; M8-S12 VanDerWaalsContact SD-CB 3.51Å; T9-S12 WeakPolarHBondContact O-CB 3.24Å; T9-S12 PolarHBondContact O-N 3.08Å; T9-S12 PolarHBondContact O-OG 3.21Å; R10-S12 VanDerWaalsContact C-N 3.33Å; S12-K14 PolarHBondContact O-N 2.71Å; S12-Q15 WeakPolarHBondContact O-CB 3.49Å; S12-Q15 PolarHBondContact O-N 2.98Å; S12-I16 WeakPolarHBondContact O-CB 3.48Å; S12-I16 WeakPolarHBondContact O-CD1 3.41Å; S12-I16 WeakPolarHBondContact O-CG1 3.35Å; S12-I16 PolarHBondContact O-N 3.43Å
13	V	38.3	Very low	38.3	Very low	98 Å²	98	91 Å²	91	59%	0.594	43%	0.432	S	S	*	.	H	α-helix	trans	-64.8	-40.7	174.5	-179.1	0	0	0	0	111.9	K11 Q15 I16 K17	K11-V13 PolarHBondContact O-N 2.92Å; V13-Q15 VanDerWaalsContact C-N 3.33Å; V13-I16 PolarHBondContact O-N 2.88Å; V13-K17 WeakPolarHBondContact O-CB 3.33Å; V13-K17 PolarHBondContact O-N 2.82Å
14	K	41.1	Very low	39.1	Very low	158 Å²	158	88.3 Å²	88.3	69%	0.687	42%	0.416	S	S	*	.	H	α-helix	trans	-63.2	-42.4	173.1	-72.6	-172	175.3	-171.5	0	111.1	K11 S12 K17 L18	K11-K14 PolarHBondContact O-N 3.39Å; S12-K14 PolarHBondContact O-N 2.71Å; K14-K17 WeakPolarHBondContact O-CB 3.44Å; K14-K17 PolarHBondContact O-N 3.31Å; K14-L18 WeakPolarHBondContact O-CB 3.35Å; K14-L18 WeakPolarHBondContact O-CD1 3.49Å; K14-L18 WeakPolarHBondContact O-CG 3.32Å; K14-L18 PolarHBondContact O-N 3.4Å
15	Q	44.7	Very low	39.6	Very low	110 Å²	110	82.1 Å²	82.1	51%	0.514	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-39.1	179.2	-154.6	172.5	0.4	0	0	112.1	K11 S12 V13 L18 I19	K11-Q15 PolarHBondContact O-N 3.19Å; S12-Q15 WeakPolarHBondContact O-CB 3.49Å; S12-Q15 PolarHBondContact O-N 2.98Å; V13-Q15 VanDerWaalsContact C-N 3.33Å; Q15-L18 PolarHBondContact O-N 2.92Å; Q15-I19 HydrophobicContact CG-CD1 4.35Å; Q15-I19 WeakPolarHBondContact O-CB 3.32Å; Q15-I19 WeakPolarHBondContact O-CD1 3.18Å; Q15-I19 VanDerWaalsContact O-CG1 3.22Å; Q15-I19 WeakPolarHBondContact O-CG1 3.24Å; Q15-I19 PolarHBondContact O-N 3.31Å
16	I	43.9	Very low	40.5	Very low	31 Å²	31	80.8 Å²	80.8	16%	0.159	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-44.3	172	-68.4	160.7	0	0	0	110.8	M8 S12 V13 L18 G20 L47 W50	M8-I16 HydrophobicContact SD-CD1 4.39Å; S12-I16 WeakPolarHBondContact O-CB 3.48Å; S12-I16 WeakPolarHBondContact O-CD1 3.41Å; S12-I16 WeakPolarHBondContact O-CG1 3.35Å; S12-I16 PolarHBondContact O-N 3.43Å; V13-I16 PolarHBondContact O-N 2.88Å; I16-L18 VanDerWaalsContact C-N 3.35Å; I16-G20 PolarHBondContact O-N 3.16Å; I16-L47 HydrophobicContact CD1-CD1 4.15Å; I16-L47 HydrophobicContact CD1-CD2 3.3Å; I16-L47 HydrophobicContact CD1-CG 3.74Å; I16-L47 HydrophobicContact CG1-CD2 3.56Å; I16-L47 HydrophobicContact CG1-CG 4.45Å; I16-W50 VanDerWaalsContact CG2-CD1 3.45Å; I16-W50 HydrophobicContact CG2-CG 4.47Å; I16-W50 VanDerWaalsContact CG2-NE1 3.32Å
17	K	45.2	Very low	41.3	Very low	125 Å²	125	80.9 Å²	80.9	54%	0.543	40%	0.399	S	S	.	.	H	α-helix	trans	-63.9	-40.6	177.2	-165.4	173.7	-177.2	179.3	0	111.6	V13 K14 G20 I21	V13-K17 WeakPolarHBondContact O-CB 3.33Å; V13-K17 PolarHBondContact O-N 2.82Å; K14-K17 WeakPolarHBondContact O-CB 3.44Å; K14-K17 PolarHBondContact O-N 3.31Å; K17-G20 PolarHBondContact O-N 3.08Å; K17-I21 HydrophobicContact CG-CD1 4.06Å; K17-I21 WeakPolarHBondContact O-CD1 3.4Å; K17-I21 VanDerWaalsContact O-CG1 3.23Å; K17-I21 WeakPolarHBondContact O-CG1 3.36Å; K17-I21 PolarHBondContact O-N 2.99Å
18	L	45.4	Very low	42.4	Very low	26 Å²	26	74.1 Å²	74.1	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-65.3	-47.5	176.4	-83.2	153.9	0	0	0	112.6	K14 Q15 I16 G20 I21 G22 A112 E116 L119	K14-L18 WeakPolarHBondContact O-CB 3.35Å; K14-L18 WeakPolarHBondContact O-CD1 3.49Å; K14-L18 WeakPolarHBondContact O-CG 3.32Å; K14-L18 PolarHBondContact O-N 3.4Å; Q15-L18 PolarHBondContact O-N 2.92Å; I16-L18 VanDerWaalsContact C-N 3.35Å; L18-G20 PolarHBondContact O-N 3.14Å; L18-I21 PolarHBondContact O-N 3.26Å; L18-G22 PolarHBondContact O-N 3.2Å; L18-A112 HydrophobicContact CB-CB 4.47Å; L18-A112 WeakPolarHBondContact CD2-O 3.39Å; L18-E116 HydrophobicContact CD2-CB 3.53Å; L18-E116 HydrophobicContact CD2-CG 4.03Å; L18-L119 HydrophobicContact CD2-CD1 4.24Å
19	I	48	Very low	43.4	Very low	51 Å²	51	71.3 Å²	71.3	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-37.8	174.2	-69	164.3	0	0	0	110.1	Q15 G22 L23 W50	Q15-I19 HydrophobicContact CG-CD1 4.35Å; Q15-I19 WeakPolarHBondContact O-CB 3.32Å; Q15-I19 WeakPolarHBondContact O-CD1 3.18Å; Q15-I19 VanDerWaalsContact O-CG1 3.22Å; Q15-I19 WeakPolarHBondContact O-CG1 3.24Å; Q15-I19 PolarHBondContact O-N 3.31Å; I19-G22 WeakPolarHBondContact O-CA 3.39Å; I19-G22 PolarHBondContact O-N 3.32Å; I19-L23 HydrophobicContact CG2-CD1 4Å; I19-L23 PolarHBondContact O-N 3.4Å; I19-W50 HydrophobicContact CG2-CE3 4.35Å
20	G	47.8	Very low	44.3	Very low	1 Å²	1	68.7 Å²	68.7	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-72.5	-35.1	-179.3	0	0	0	0	0	115.5	I16 K17 L18 S24 N31	I16-G20 PolarHBondContact O-N 3.16Å; K17-G20 PolarHBondContact O-N 3.08Å; L18-G20 PolarHBondContact O-N 3.14Å; G20-S24 PolarHBondContact O-N 2.9Å; G20-N31 VanDerWaalsContact O-CG 3.3Å; G20-N31 PolarHBondContact O-OD1 2.81Å
21	I	45.2	Very low	45.2	Very low	43 Å²	43	59 Å²	59	22%	0.221	31%	0.305	C	S	.	.	H	α-helix	trans	-70.8	-31.9	169.4	-64.2	159.5	0	0	0	109.6	K17 L18 S24 S25 C115 L119	K17-I21 HydrophobicContact CG-CD1 4.06Å; K17-I21 WeakPolarHBondContact O-CD1 3.4Å; K17-I21 VanDerWaalsContact O-CG1 3.23Å; K17-I21 WeakPolarHBondContact O-CG1 3.36Å; K17-I21 PolarHBondContact O-N 2.99Å; L18-I21 PolarHBondContact O-N 3.26Å; I21-S24 WeakPolarHBondContact O-CA 3.47Å; I21-S24 WeakPolarHBondContact O-CB 3.37Å; I21-S24 PolarHBondContact O-N 2.87Å; I21-S25 PolarHBondContact O-N 3.36Å; I21-C115 HydrophobicContact CB-CB 3.98Å; I21-C115 HydrophobicContact CG2-CB 3.7Å; I21-C115 PolarHBondContact O-SG 3.21Å; I21-L119 HydrophobicContact CD1-CD1 3.42Å; I21-L119 VanDerWaalsContact CD1-CD1 3.42Å; I21-L119 HydrophobicContact CD1-CD2 3.63Å; I21-L119 HydrophobicContact CD1-CG 3.64Å
22	G	44.8	Very low	46	Very low	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-52.3	-53.8	171.2	0	0	0	0	0	115.9	L18 I19 S24 S25 Y26 I111 C115	L18-G22 PolarHBondContact O-N 3.2Å; I19-G22 WeakPolarHBondContact O-CA 3.39Å; I19-G22 PolarHBondContact O-N 3.32Å; G22-S24 PolarHBondContact O-N 2.76Å; G22-S25 PolarHBondContact O-N 3.34Å; G22-Y26 WeakPolarHBondContact O-CD2 3.27Å; G22-I111 WeakPolarHBondContact O-CG2 3.41Å; G22-C115 WeakPolarHBondContact CA-SG 3.33Å; G22-C115 PolarHBondContact N-SG 2.97Å
23	L	48	Very low	46.8	Very low	7 Å²	7	55 Å²	55	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-74.4	-12	178.8	-66.3	166.1	0	0	0	111.4	I19 Y26 N31 W50	I19-L23 HydrophobicContact CG2-CD1 4Å; I19-L23 PolarHBondContact O-N 3.4Å; L23-Y26 PolarHBondContact O-N 3.21Å; L23-N31 VanDerWaalsContact C-OD1 3.32Å; L23-W50 HydrophobicContact CB-CZ3 3.92Å; L23-W50 HydrophobicContact CD1-CE3 3.58Å; L23-W50 HydrophobicContact CD1-CZ3 3.35Å; L23-W50 HydrophobicContact CG-CZ3 4.2Å
24	S	43	Very low	47.6	Very low	55 Å²	55	50.3 Å²	50.3	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-41.1	174	-167.5	0	0	0	0	113.6	G20 I21 G22 Y26 S27 N31	G20-S24 PolarHBondContact O-N 2.9Å; I21-S24 WeakPolarHBondContact O-CA 3.47Å; I21-S24 WeakPolarHBondContact O-CB 3.37Å; I21-S24 PolarHBondContact O-N 2.87Å; G22-S24 PolarHBondContact O-N 2.76Å; S24-Y26 PolarHBondContact O-N 3.44Å; S24-Y26 VanDerWaalsContact O-N 3.09Å; S24-S27 PolarHBondContact O-N 3.05Å; S24-N31 WeakPolarHBondContact CA-ND2 3.31Å; S24-N31 WeakPolarHBondContact CA-OD1 3.12Å; S24-N31 WeakPolarHBondContact CB-ND2 2.89Å; S24-N31 WeakPolarHBondContact CB-OD1 3.15Å; S24-N31 PolarHBondContact N-OD1 3.44Å; S24-N31 PolarHBondContact OG-ND2 2.87Å
25	S	42.6	Very low	48.2	Very low	89 Å²	89	44.4 Å²	44.4	62%	0.622	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.4	177.3	-48.7	0	0	0	0	112.1	I21 G22	I21-S25 PolarHBondContact O-N 3.36Å; G22-S25 PolarHBondContact O-N 3.34Å
26	Y	44.7	Very low	48.6	Very low	108 Å²	108	40.6 Å²	40.6	42%	0.424	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.4	-176	-79.9	-76	0	0	0	114.2	G22 L23 S24 L28 I111	G22-Y26 WeakPolarHBondContact O-CD2 3.27Å; L23-Y26 PolarHBondContact O-N 3.21Å; S24-Y26 PolarHBondContact O-N 3.44Å; S24-Y26 VanDerWaalsContact O-N 3.09Å; Y26-L28 WeakPolarHBondContact O-CB 3.41Å; Y26-L28 VanDerWaalsContact O-CD1 3.28Å; Y26-L28 WeakPolarHBondContact O-CD1 3.32Å; Y26-L28 WeakPolarHBondContact O-CG 3.31Å; Y26-L28 PolarHBondContact O-N 2.9Å; Y26-I111 HydrophobicContact CD2-CD1 4.23Å; Y26-I111 HydrophobicContact CE2-CD1 3.6Å; Y26-I111 HydrophobicContact CE2-CG1 3.86Å
27	S	50.2	Low	49.1	Very low	81 Å²	81	39.4 Å²	39.4	57%	0.566	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	11.5	177.7	76.5	0	0	0	0	115.6	S24 R72	S24-S27 PolarHBondContact O-N 3.05Å; S27-R72 PolarHBondContact O-NH1 3.38Å
28	L	50	Low	49.7	Very low	17 Å²	17	35.4 Å²	35.4	9%	0.089	21%	0.213	C	C	.	.	S	Bend	trans	-99.7	-25.3	-159.1	-88.6	158.1	0	0	0	113.2	Y26 R60	Y26-L28 WeakPolarHBondContact O-CB 3.41Å; Y26-L28 VanDerWaalsContact O-CD1 3.28Å; Y26-L28 WeakPolarHBondContact O-CD1 3.32Å; Y26-L28 WeakPolarHBondContact O-CG 3.31Å; Y26-L28 PolarHBondContact O-N 2.9Å; L28-R60 VanDerWaalsContact CD1-NH2 3.28Å
29	I	52.2	Low	50.1	Low	9 Å²	9	40.7 Å²	40.7	5%	0.046	24%	0.237	C	C	.	.	S	Bend	trans	-145	132.7	179.5	-58	179.9	0	0	0	106.5	N31 A53 M76	I29-N31 PolarHBondContact O-N 3.5Å; I29-N31 PolarHBondContact O-OD1 3.47Å; I29-A53 HydrophobicContact CD1-CB 3.23Å; I29-A53 HydrophobicContact CG1-CB 4.43Å; I29-A53 HydrophobicContact CG2-CB 4.11Å; I29-M76 HydrophobicContact CD1-SD 3.84Å; I29-M76 HydrophobicContact CG1-SD 4.35Å; I29-M76 HydrophobicContact CG2-SD 4.36Å
30	P	50.7	Low	50.5	Low	23 Å²	23	41.4 Å²	41.4	15%	0.149	25%	0.25	C	S	.	.			trans	-62.8	113.1	-176.8	24.3	-32.2	0	0	0	110.3	L32 Y33 P34 F69	P30-L32 PolarHBondContact O-N 2.83Å; P30-L32 VanDerWaalsContact O-N 3.12Å; P30-Y33 WeakPolarHBondContact O-CB 3.33Å; P30-Y33 PolarHBondContact O-N 2.7Å; P30-P34 WeakPolarHBondContact O-CD 3.11Å; P30-F69 HydrophobicContact CB-CE2 4.19Å; P30-F69 HydrophobicContact CB-CZ 4Å; P30-F69 HydrophobicContact CG-CE2 4.1Å; P30-F69 HydrophobicContact CG-CZ 3.73Å
31	N	50	Low	50.8	Low	33 Å²	33	44.1 Å²	44.1	18%	0.176	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	178.3	-45.5	-64.8	0	0	0	112.5	G20 L23 S24 I29 Y33 C35	G20-N31 VanDerWaalsContact O-CG 3.3Å; G20-N31 PolarHBondContact O-OD1 2.81Å; L23-N31 VanDerWaalsContact C-OD1 3.32Å; S24-N31 WeakPolarHBondContact CA-ND2 3.31Å; S24-N31 WeakPolarHBondContact CA-OD1 3.12Å; S24-N31 WeakPolarHBondContact CB-ND2 2.89Å; S24-N31 WeakPolarHBondContact CB-OD1 3.15Å; S24-N31 PolarHBondContact N-OD1 3.44Å; S24-N31 PolarHBondContact OG-ND2 2.87Å; I29-N31 PolarHBondContact O-N 3.5Å; I29-N31 PolarHBondContact O-OD1 3.47Å; N31-Y33 PolarHBondContact O-N 2.76Å; N31-C35 VanDerWaalsContact O-CB 3.28Å; N31-C35 WeakPolarHBondContact O-CB 3.44Å; N31-C35 PolarHBondContact O-SG 3.46Å
32	L	50.5	Low	51.6	Low	64 Å²	64	46.2 Å²	46.2	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-67.9	-25.6	174.2	-75.7	148.7	0	0	0	112	P30 G36 S131 Y132	P30-L32 PolarHBondContact O-N 2.83Å; P30-L32 VanDerWaalsContact O-N 3.12Å; L32-G36 WeakPolarHBondContact O-CA 3.2Å; L32-G36 PolarHBondContact O-N 3.14Å; L32-S131 WeakPolarHBondContact CD1-O 3.4Å; L32-Y132 HydrophobicContact CD2-CD1 3.54Å; L32-Y132 HydrophobicContact CD2-CE1 3.65Å; L32-Y132 HydrophobicContact CD2-CG 4.26Å
33	Y	56.7	Low	52.3	Low	25 Å²	25	49.4 Å²	49.4	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-78.6	-54.7	-169.4	175.2	-100.4	0	0	0	112.3	P30 N31 C35 G36 V37 V49 P141 I143 L144	P30-Y33 WeakPolarHBondContact O-CB 3.33Å; P30-Y33 PolarHBondContact O-N 2.7Å; N31-Y33 PolarHBondContact O-N 2.76Å; Y33-C35 VanDerWaalsContact C-N 3.27Å; Y33-C35 PolarHBondContact O-N 3.09Å; Y33-G36 PolarHBondContact O-N 3.48Å; Y33-V37 HydrophobicContact CE2-CG2 4.42Å; Y33-V37 WeakPolarHBondContact O-CB 3.39Å; Y33-V37 WeakPolarHBondContact O-CG2 3.37Å; Y33-V37 PolarHBondContact O-N 2.58Å; Y33-V49 HydrophobicContact CD1-CG1 3.6Å; Y33-V49 HydrophobicContact CD1-CG2 4.33Å; Y33-V49 HydrophobicContact CE1-CB 4.14Å; Y33-V49 HydrophobicContact CE1-CG1 3.46Å; Y33-V49 VanDerWaalsContact CE1-CG1 3.46Å; Y33-V49 HydrophobicContact CE1-CG2 3.53Å; Y33-P141 HydrophobicContact CD2-CG 4.09Å; Y33-P141 HydrophobicContact CE2-CB 4.23Å; Y33-P141 HydrophobicContact CE2-CG 3.5Å; Y33-P141 VanDerWaalsContact CE2-CG 3.5Å; Y33-I143 WeakPolarHBondContact OH-CG2 3.34Å; Y33-L144 HydrophobicContact CD2-CD1 4.07Å; Y33-L144 HydrophobicContact CE2-CD1 3.25Å; Y33-L144 HydrophobicContact CE2-CD2 3.94Å; Y33-L144 HydrophobicContact CE2-CG 3.38Å; Y33-L144 WeakPolarHBondContact OH-CD2 2.96Å; Y33-L144 WeakPolarHBondContact OH-CG 2.99Å
34	P	55.4	Low	52.8	Low	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-31.7	172.4	-21.5	34.8	0	0	0	112.9	P30 A38 A46 V49 W50	P30-P34 WeakPolarHBondContact O-CD 3.11Å; P34-A38 VanDerWaalsContact O-CB 3.31Å; P34-A38 WeakPolarHBondContact O-CB 3.39Å; P34-A38 PolarHBondContact O-N 3.17Å; P34-A46 HydrophobicContact CB-CB 4.47Å; P34-A46 WeakPolarHBondContact O-CB 3.33Å; P34-V49 HydrophobicContact CG-CB 4.37Å; P34-V49 HydrophobicContact CG-CG1 3.79Å; P34-W50 VanDerWaalsContact CB-CD1 3.43Å; P34-W50 HydrophobicContact CB-CD2 3.89Å; P34-W50 HydrophobicContact CB-CG 3.98Å; P34-W50 HydrophobicContact CB-CH2 4.39Å; P34-W50 HydrophobicContact CB-CZ2 3.53Å; P34-W50 HydrophobicContact CG-CD2 3.84Å; P34-W50 VanDerWaalsContact CG-CE2 3.46Å; P34-W50 HydrophobicContact CG-CE3 4.29Å; P34-W50 HydrophobicContact CG-CG 4.26Å; P34-W50 HydrophobicContact CG-CH2 3.85Å; P34-W50 HydrophobicContact CG-CZ2 3.48Å; P34-W50 VanDerWaalsContact CG-CZ2 3.48Å; P34-W50 HydrophobicContact CG-CZ3 4.28Å
35	C	53.3	Low	53.6	Low	35 Å²	35	53.2 Å²	53.2	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-43	175.2	-71.4	0	0	0	0	111.7	N31 Y33 A38 Q39	N31-C35 VanDerWaalsContact O-CB 3.28Å; N31-C35 WeakPolarHBondContact O-CB 3.44Å; N31-C35 PolarHBondContact O-SG 3.46Å; Y33-C35 VanDerWaalsContact C-N 3.27Å; Y33-C35 PolarHBondContact O-N 3.09Å; C35-A38 PolarHBondContact O-N 3.22Å; C35-Q39 WeakPolarHBondContact O-CB 3.45Å; C35-Q39 WeakPolarHBondContact O-CG 3.19Å; C35-Q39 PolarHBondContact O-N 3.29Å
36	G	52.3	Low	54.4	Low	30 Å²	30	49 Å²	49	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-40	176	0	0	0	0	0	112	L32 Y33 Q39 A40	L32-G36 WeakPolarHBondContact O-CA 3.2Å; L32-G36 PolarHBondContact O-N 3.14Å; Y33-G36 PolarHBondContact O-N 3.48Å; G36-Q39 PolarHBondContact O-N 2.69Å; G36-A40 WeakPolarHBondContact O-CB 3.5Å; G36-A40 PolarHBondContact O-N 3.21Å
37	V	55.7	Low	55.2	Low	6 Å²	6	44.6 Å²	44.6	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-39.8	174.9	177.1	0	0	0	0	111.3	Y33 A40 H42 R45 A46 L144	Y33-V37 HydrophobicContact CE2-CG2 4.42Å; Y33-V37 WeakPolarHBondContact O-CB 3.39Å; Y33-V37 WeakPolarHBondContact O-CG2 3.37Å; Y33-V37 PolarHBondContact O-N 2.58Å; V37-A40 PolarHBondContact O-N 3.16Å; V37-H42 HydrophobicContact CG1-CB 3.64Å; V37-H42 WeakPolarHBondContact CG1-O 3.4Å; V37-H42 WeakPolarHBondContact O-CA 3.39Å; V37-H42 WeakPolarHBondContact O-CB 3.46Å; V37-H42 PolarHBondContact O-N 3.39Å; V37-R45 HydrophobicContact CG1-CB 3.67Å; V37-A46 HydrophobicContact CB-CB 4.06Å; V37-A46 HydrophobicContact CG1-CB 3.91Å; V37-L144 HydrophobicContact CG1-CD2 4.4Å; V37-L144 HydrophobicContact CG2-CD1 3.76Å; V37-L144 HydrophobicContact CG2-CD2 3.46Å; V37-L144 VanDerWaalsContact CG2-CD2 3.46Å; V37-L144 HydrophobicContact CG2-CG 4.23Å
38	A	57.4	Low	55.9	Low	40 Å²	40	41.1 Å²	41.1	33%	0.331	25%	0.25	S	S	.	.	H	α-helix	trans	-68.2	-40.6	174.2	0	0	0	0	0	112.2	P34 C35 A40 G41 A46	P34-A38 VanDerWaalsContact O-CB 3.31Å; P34-A38 WeakPolarHBondContact O-CB 3.39Å; P34-A38 PolarHBondContact O-N 3.17Å; C35-A38 PolarHBondContact O-N 3.22Å; A38-A40 VanDerWaalsContact C-N 3.27Å; A38-A40 PolarHBondContact O-N 3.05Å; A38-G41 PolarHBondContact O-N 2.96Å; A38-A46 HydrophobicContact CB-CB 3.84Å
39	Q	53	Low	56.7	Low	137 Å²	137	40.3 Å²	40.3	64%	0.64	25%	0.246	S	C	*	.	H	α-helix	trans	-64.1	-32.7	175	-76.2	170.5	-11.7	0	0	112	C35 G36 G41	C35-Q39 WeakPolarHBondContact O-CB 3.45Å; C35-Q39 WeakPolarHBondContact O-CG 3.19Å; C35-Q39 PolarHBondContact O-N 3.29Å; G36-Q39 PolarHBondContact O-N 2.69Å; Q39-G41 PolarHBondContact O-N 2.97Å
40	A	57.3	Low	57.5	Low	66 Å²	66	40.7 Å²	40.7	55%	0.545	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	6.3	172.5	0	0	0	0	0	113.9	G36 V37 A38 H42	G36-A40 WeakPolarHBondContact O-CB 3.5Å; G36-A40 PolarHBondContact O-N 3.21Å; V37-A40 PolarHBondContact O-N 3.16Å; A38-A40 VanDerWaalsContact C-N 3.27Å; A38-A40 PolarHBondContact O-N 3.05Å; A40-H42 VanDerWaalsContact C-N 3.32Å; A40-H42 PolarHBondContact O-N 3.28Å
41	G	54.2	Low	58.3	Low	59 Å²	59	40.7 Å²	40.7	61%	0.608	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	5.5	178.1	0	0	0	0	0	114.7	A38 Q39 S43	A38-G41 PolarHBondContact O-N 2.96Å; Q39-G41 PolarHBondContact O-N 2.97Å; G41-S43 PolarHBondContact O-N 2.84Å
42	H	61.3	Low	59.2	Low	87 Å²	87	39.6 Å²	39.6	40%	0.403	24%	0.239	S	C	.	.			trans	-95.4	56.3	179.7	-60.3	-60.2	0	0	0	112.1	V37 A40 E44 R45 A46	V37-H42 HydrophobicContact CG1-CB 3.64Å; V37-H42 WeakPolarHBondContact CG1-O 3.4Å; V37-H42 WeakPolarHBondContact O-CA 3.39Å; V37-H42 WeakPolarHBondContact O-CB 3.46Å; V37-H42 PolarHBondContact O-N 3.39Å; A40-H42 VanDerWaalsContact C-N 3.32Å; A40-H42 PolarHBondContact O-N 3.28Å; H42-E44 VanDerWaalsContact C-N 3.34Å; H42-E44 PolarHBondContact O-N 2.99Å; H42-R45 HydrophobicContact CB-CB 3.98Å; H42-R45 HydrophobicContact CB-CG 4.18Å; H42-R45 WeakPolarHBondContact O-CB 3.31Å; H42-R45 PolarHBondContact O-N 3.5Å; H42-A46 PolarHBondContact O-N 3.06Å
43	S	59.3	Low	60.1	Low	66 Å²	66	36.5 Å²	36.5	46%	0.462	22%	0.223	S	C	.	.	H	α-helix	trans	-54.2	-43.9	-174.5	-54.9	0	0	0	0	114	G41 A46 L47	G41-S43 PolarHBondContact O-N 2.84Å; S43-A46 PolarHBondContact O-N 3.31Å; S43-L47 WeakPolarHBondContact O-CB 3.34Å; S43-L47 WeakPolarHBondContact O-CD1 3.44Å; S43-L47 WeakPolarHBondContact O-CG 3.43Å; S43-L47 PolarHBondContact O-N 2.93Å
44	E	58.2	Low	60.7	Low	96 Å²	96	35.6 Å²	35.6	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-37.8	177.6	-77	-61.4	140.5	0	0	112.4	H42 L47 A48 R155	H42-E44 VanDerWaalsContact C-N 3.34Å; H42-E44 PolarHBondContact O-N 2.99Å; E44-L47 WeakPolarHBondContact O-CB 3.37Å; E44-L47 PolarHBondContact O-N 3.43Å; E44-A48 WeakPolarHBondContact O-CB 3.46Å; E44-A48 PolarHBondContact O-N 3.25Å; E44-R155 WeakPolarHBondContact OE2-CD 3.34Å; E44-R155 WeakPolarHBondContact OE2-CG 3.44Å
45	R	60.6	Low	61.3	Low	46 Å²	46	35.7 Å²	35.7	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-46.5	174.7	-64.8	-172.8	168	166.5	-10	110.6	V37 H42 L47 A48 V49 W153	V37-R45 HydrophobicContact CG1-CB 3.67Å; H42-R45 HydrophobicContact CB-CB 3.98Å; H42-R45 HydrophobicContact CB-CG 4.18Å; H42-R45 WeakPolarHBondContact O-CB 3.31Å; H42-R45 PolarHBondContact O-N 3.5Å; R45-L47 PolarHBondContact O-N 3.16Å; R45-A48 PolarHBondContact O-N 3.33Å; R45-A48 VanDerWaalsContact O-N 3.12Å; R45-V49 VanDerWaalsContact O-CG2 3.31Å; R45-V49 WeakPolarHBondContact O-CG2 3.4Å; R45-V49 PolarHBondContact O-N 3.27Å; R45-W153 HydrophobicContact CB-CD2 4.08Å; R45-W153 HydrophobicContact CB-CE3 3.92Å; R45-W153 HydrophobicContact CB-CH2 3.93Å; R45-W153 HydrophobicContact CB-CZ2 4.14Å; R45-W153 HydrophobicContact CB-CZ3 3.91Å; R45-W153 HydrophobicContact CG-CB 3.97Å; R45-W153 HydrophobicContact CG-CD2 3.66Å; R45-W153 HydrophobicContact CG-CE3 3.98Å; R45-W153 HydrophobicContact CG-CG 3.74Å; R45-W153 HydrophobicContact CG-CH2 4.43Å; R45-W153 HydrophobicContact CG-CZ2 4.2Å; R45-W153 HydrophobicContact CG-CZ3 4.41Å; R45-W153 WeakPolarHBondContact O-CZ3 3.42Å
46	A	60.5	Low	62.1	Low	2 Å²	2	34.4 Å²	34.4	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-55.8	-40.6	176	0	0	0	0	0	111.5	P34 V37 A38 H42 S43 V49 W50	P34-A46 HydrophobicContact CB-CB 4.47Å; P34-A46 WeakPolarHBondContact O-CB 3.33Å; V37-A46 HydrophobicContact CB-CB 4.06Å; V37-A46 HydrophobicContact CG1-CB 3.91Å; A38-A46 HydrophobicContact CB-CB 3.84Å; H42-A46 PolarHBondContact O-N 3.06Å; S43-A46 PolarHBondContact O-N 3.31Å; A46-V49 PolarHBondContact O-N 3.37Å; A46-W50 WeakPolarHBondContact O-CB 3.1Å; A46-W50 PolarHBondContact O-N 3.12Å
47	L	60.7	Low	62.9	Low	14 Å²	14	35.1 Å²	35.1	7%	0.073	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-44	175.2	-81.6	164.2	0	0	0	113.7	M8 I16 S43 E44 R45 V49 W50 Q51	M8-L47 HydrophobicContact CE-CD1 3.23Å; M8-L47 HydrophobicContact CE-CD2 3.59Å; M8-L47 HydrophobicContact CE-CG 3.99Å; M8-L47 HydrophobicContact SD-CD1 3.58Å; M8-L47 VanDerWaalsContact SD-CD1 3.58Å; M8-L47 HydrophobicContact SD-CD2 4.28Å; I16-L47 HydrophobicContact CD1-CD1 4.15Å; I16-L47 HydrophobicContact CD1-CD2 3.3Å; I16-L47 HydrophobicContact CD1-CG 3.74Å; I16-L47 HydrophobicContact CG1-CD2 3.56Å; I16-L47 HydrophobicContact CG1-CG 4.45Å; S43-L47 WeakPolarHBondContact O-CB 3.34Å; S43-L47 WeakPolarHBondContact O-CD1 3.44Å; S43-L47 WeakPolarHBondContact O-CG 3.43Å; S43-L47 PolarHBondContact O-N 2.93Å; E44-L47 WeakPolarHBondContact O-CB 3.37Å; E44-L47 PolarHBondContact O-N 3.43Å; R45-L47 PolarHBondContact O-N 3.16Å; L47-V49 VanDerWaalsContact C-N 3.32Å; L47-W50 PolarHBondContact O-N 3.33Å; L47-Q51 WeakPolarHBondContact O-CB 3.42Å; L47-Q51 PolarHBondContact O-N 3.24Å
48	A	65.5	Low	63.2	Low	9 Å²	9	35.9 Å²	35.9	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-41	175.7	0	0	0	0	0	111.1	E44 R45 Q51 V52 W153	E44-A48 WeakPolarHBondContact O-CB 3.46Å; E44-A48 PolarHBondContact O-N 3.25Å; R45-A48 PolarHBondContact O-N 3.33Å; R45-A48 VanDerWaalsContact O-N 3.12Å; A48-Q51 PolarHBondContact O-N 2.87Å; A48-V52 VanDerWaalsContact O-CG2 3.32Å; A48-V52 WeakPolarHBondContact O-CG2 3.22Å; A48-V52 PolarHBondContact O-N 3.39Å; A48-W153 HydrophobicContact CB-CE3 3.69Å; A48-W153 HydrophobicContact CB-CZ3 3.96Å
49	V	66.2	Low	63.6	Low	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-48.1	171.6	178.9	0	0	0	0	110.5	Y33 P34 R45 A46 L47 Q51 V52 A53 I143 W153	Y33-V49 HydrophobicContact CD1-CG1 3.6Å; Y33-V49 HydrophobicContact CD1-CG2 4.33Å; Y33-V49 HydrophobicContact CE1-CB 4.14Å; Y33-V49 HydrophobicContact CE1-CG1 3.46Å; Y33-V49 VanDerWaalsContact CE1-CG1 3.46Å; Y33-V49 HydrophobicContact CE1-CG2 3.53Å; P34-V49 HydrophobicContact CG-CB 4.37Å; P34-V49 HydrophobicContact CG-CG1 3.79Å; R45-V49 VanDerWaalsContact O-CG2 3.31Å; R45-V49 WeakPolarHBondContact O-CG2 3.4Å; R45-V49 PolarHBondContact O-N 3.27Å; A46-V49 PolarHBondContact O-N 3.37Å; L47-V49 VanDerWaalsContact C-N 3.32Å; V49-Q51 VanDerWaalsContact C-N 3.27Å; V49-Q51 PolarHBondContact O-N 2.97Å; V49-V52 PolarHBondContact O-N 3.26Å; V49-A53 WeakPolarHBondContact O-CB 3.33Å; V49-A53 PolarHBondContact O-N 3.44Å; V49-I143 HydrophobicContact CG2-CD1 4Å; V49-I143 HydrophobicContact CG2-CG1 4.49Å; V49-W153 HydrophobicContact CG2-CH2 3.45Å; V49-W153 VanDerWaalsContact CG2-CH2 3.45Å; V49-W153 HydrophobicContact CG2-CZ3 3.5Å
50	W	68.5	Low	64.2	Low	16 Å²	16	32.4 Å²	32.4	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-39.5	178.7	-87.9	123.1	0	0	0	112.7	I16 I19 L23 P34 A46 L47 A53 G54	I16-W50 VanDerWaalsContact CG2-CD1 3.45Å; I16-W50 HydrophobicContact CG2-CG 4.47Å; I16-W50 VanDerWaalsContact CG2-NE1 3.32Å; I19-W50 HydrophobicContact CG2-CE3 4.35Å; L23-W50 HydrophobicContact CB-CZ3 3.92Å; L23-W50 HydrophobicContact CD1-CE3 3.58Å; L23-W50 HydrophobicContact CD1-CZ3 3.35Å; L23-W50 HydrophobicContact CG-CZ3 4.2Å; P34-W50 VanDerWaalsContact CB-CD1 3.43Å; P34-W50 HydrophobicContact CB-CD2 3.89Å; P34-W50 HydrophobicContact CB-CG 3.98Å; P34-W50 HydrophobicContact CB-CH2 4.39Å; P34-W50 HydrophobicContact CB-CZ2 3.53Å; P34-W50 HydrophobicContact CG-CD2 3.84Å; P34-W50 VanDerWaalsContact CG-CE2 3.46Å; P34-W50 HydrophobicContact CG-CE3 4.29Å; P34-W50 HydrophobicContact CG-CG 4.26Å; P34-W50 HydrophobicContact CG-CH2 3.85Å; P34-W50 HydrophobicContact CG-CZ2 3.48Å; P34-W50 VanDerWaalsContact CG-CZ2 3.48Å; P34-W50 HydrophobicContact CG-CZ3 4.28Å; A46-W50 WeakPolarHBondContact O-CB 3.1Å; A46-W50 PolarHBondContact O-N 3.12Å; L47-W50 PolarHBondContact O-N 3.33Å; W50-A53 HydrophobicContact CE3-CB 4.33Å; W50-A53 WeakPolarHBondContact O-CB 3.45Å; W50-A53 PolarHBondContact O-N 3.22Å; W50-G54 PolarHBondContact O-N 3.23Å
51	Q	67.8	Low	64.4	Low	24 Å²	24	32.9 Å²	32.9	11%	0.112	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-49.3	176.2	176.4	170	-16.3	0	0	110.6	L47 A48 V49 A53 G54 E55 F87	L47-Q51 WeakPolarHBondContact O-CB 3.42Å; L47-Q51 PolarHBondContact O-N 3.24Å; A48-Q51 PolarHBondContact O-N 2.87Å; V49-Q51 VanDerWaalsContact C-N 3.27Å; V49-Q51 PolarHBondContact O-N 2.97Å; Q51-A53 VanDerWaalsContact C-N 3.29Å; Q51-A53 PolarHBondContact O-N 2.83Å; Q51-G54 PolarHBondContact O-N 2.78Å; Q51-E55 HydrophobicContact CG-CG 4.39Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.38Å; Q51-E55 PolarHBondContact NE2-OE1 3.3Å; Q51-E55 WeakPolarHBondContact O-CB 3.05Å; Q51-E55 WeakPolarHBondContact O-CG 3.18Å; Q51-E55 PolarHBondContact O-N 2.83Å; Q51-F87 HydrophobicContact CG-CD2 4.1Å; Q51-F87 PolarHBondContact NE2-O 2.8Å; Q51-F87 VanDerWaalsContact NE2-O 3.14Å
52	V	69.1	Low	65	Low	9 Å²	9	33.4 Å²	33.4	6%	0.055	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-41.5	176.4	171.5	0	0	0	0	111.3	A48 V49 E55 F56 M76 R80	A48-V52 VanDerWaalsContact O-CG2 3.32Å; A48-V52 WeakPolarHBondContact O-CG2 3.22Å; A48-V52 PolarHBondContact O-N 3.39Å; V49-V52 PolarHBondContact O-N 3.26Å; V52-E55 PolarHBondContact O-N 3.26Å; V52-F56 WeakPolarHBondContact O-CB 3.49Å; V52-F56 PolarHBondContact O-N 2.82Å; V52-M76 HydrophobicContact CG1-CG 3.81Å; V52-M76 HydrophobicContact CG1-SD 4.32Å; V52-R80 HydrophobicContact CG1-CB 3.97Å; V52-R80 HydrophobicContact CG1-CG 4.22Å; V52-R80 HydrophobicContact CG2-CG 3.93Å
53	A	69.8	Low	65.2	Low	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-47.4	177.1	0	0	0	0	0	112.2	I29 V49 W50 Q51 H57 M76	I29-A53 HydrophobicContact CD1-CB 3.23Å; I29-A53 HydrophobicContact CG1-CB 4.43Å; I29-A53 HydrophobicContact CG2-CB 4.11Å; V49-A53 WeakPolarHBondContact O-CB 3.33Å; V49-A53 PolarHBondContact O-N 3.44Å; W50-A53 HydrophobicContact CE3-CB 4.33Å; W50-A53 WeakPolarHBondContact O-CB 3.45Å; W50-A53 PolarHBondContact O-N 3.22Å; Q51-A53 VanDerWaalsContact C-N 3.29Å; Q51-A53 PolarHBondContact O-N 2.83Å; A53-H57 WeakPolarHBondContact O-CB 3.44Å; A53-H57 PolarHBondContact O-N 2.83Å; A53-M76 HydrophobicContact CB-SD 4.46Å
54	G	68.1	Low	65.5	Low	6 Å²	6	33 Å²	33	6%	0.062	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-46.7	175.4	0	0	0	0	0	112.1	W50 Q51 F56 H57 C58	W50-G54 PolarHBondContact O-N 3.23Å; Q51-G54 PolarHBondContact O-N 2.78Å; G54-F56 PolarHBondContact O-N 3.02Å; G54-H57 WeakPolarHBondContact O-CB 3.42Å; G54-H57 PolarHBondContact O-N 3.22Å; G54-C58 PolarHBondContact O-N 2.88Å; G54-C58 VanDerWaalsContact O-N 3.16Å; G54-C58 PolarHBondContact O-SG 3.5Å
55	E	68.5	Low	65.8	Low	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-50.3	176	-71.2	167.1	179.6	0	0	110.6	Q51 V52 H57 C58 F59 F79 R86 F87	Q51-E55 HydrophobicContact CG-CG 4.39Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.38Å; Q51-E55 PolarHBondContact NE2-OE1 3.3Å; Q51-E55 WeakPolarHBondContact O-CB 3.05Å; Q51-E55 WeakPolarHBondContact O-CG 3.18Å; Q51-E55 PolarHBondContact O-N 2.83Å; V52-E55 PolarHBondContact O-N 3.26Å; E55-H57 VanDerWaalsContact C-N 3.28Å; E55-H57 PolarHBondContact O-N 3.45Å; E55-C58 WeakPolarHBondContact O-CA 3.49Å; E55-C58 WeakPolarHBondContact O-CB 3.25Å; E55-C58 PolarHBondContact O-N 2.89Å; E55-F59 HydrophobicContact CB-CD2 4.41Å; E55-F59 WeakPolarHBondContact O-CD2 3.38Å; E55-F59 PolarHBondContact O-N 3.35Å; E55-F79 HydrophobicContact CB-CE1 3.65Å; E55-F79 HydrophobicContact CB-CZ 4.17Å; E55-R86 WeakPolarHBondContact OE1-CB 3.23Å; E55-R86 WeakPolarHBondContact OE2-CB 3.33Å; E55-R86 WeakPolarHBondContact OE2-CD 3.35Å; E55-R86 WeakPolarHBondContact OE2-CG 3.22Å; E55-R86 IonicContact OE2-CZ 3.53Å; E55-R86 IonicContact OE2-NE 3.77Å; E55-R86 IonicContact OE2-NH1 2.69Å; E55-R86 PolarHBondContact OE2-NH1 2.85Å; E55-F87 HydrophobicContact CB-CE1 4.25Å; E55-F87 HydrophobicContact CB-CE2 4.37Å; E55-F87 HydrophobicContact CB-CZ 4.11Å; E55-F87 HydrophobicContact CG-CD1 3.64Å; E55-F87 HydrophobicContact CG-CD2 3.47Å; E55-F87 VanDerWaalsContact CG-CD2 3.47Å; E55-F87 HydrophobicContact CG-CE1 3.44Å; E55-F87 VanDerWaalsContact CG-CE1 3.44Å; E55-F87 HydrophobicContact CG-CE2 3.4Å; E55-F87 HydrophobicContact CG-CG 3.64Å; E55-F87 HydrophobicContact CG-CZ 3.41Å; E55-F87 VanDerWaalsContact CG-CZ 3.41Å; E55-F87 WeakPolarHBondContact OE1-CB 3.39Å; E55-F87 WeakPolarHBondContact OE1-CG 3.4Å; E55-F87 PolarHBondContact OE1-N 3.09Å
56	F	70.8	Confident	66.1	Low	8 Å²	8	42.5 Å²	42.5	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-57.8	-42.9	178.3	-176.9	-113.7	0	0	0	111.4	V52 G54 C58 F59 R60 I64 E75 M76 F79	V52-F56 WeakPolarHBondContact O-CB 3.49Å; V52-F56 PolarHBondContact O-N 2.82Å; G54-F56 PolarHBondContact O-N 3.02Å; F56-C58 PolarHBondContact O-N 3.35Å; F56-F59 PolarHBondContact O-N 3.02Å; F56-R60 HydrophobicContact CD2-CB 4.42Å; F56-R60 HydrophobicContact CE1-CB 4.45Å; F56-R60 HydrophobicContact CE2-CB 4.33Å; F56-R60 HydrophobicContact CZ-CB 4.39Å; F56-R60 WeakPolarHBondContact O-CA 3.48Å; F56-R60 WeakPolarHBondContact O-CB 3.42Å; F56-R60 VanDerWaalsContact O-CG 3.32Å; F56-R60 WeakPolarHBondContact O-CG 3.15Å; F56-R60 PolarHBondContact O-N 3.14Å; F56-I64 HydrophobicContact CE1-CD1 4.07Å; F56-I64 HydrophobicContact CE2-CD1 4.14Å; F56-I64 HydrophobicContact CZ-CD1 3.32Å; F56-I64 HydrophobicContact CZ-CG1 4.43Å; F56-E75 VanDerWaalsContact CE2-C 3.46Å; F56-E75 HydrophobicContact CE2-CB 3.97Å; F56-E75 WeakPolarHBondContact CE2-O 3.4Å; F56-E75 HydrophobicContact CZ-CB 3.65Å; F56-M76 HydrophobicContact CB-CG 4.09Å; F56-M76 HydrophobicContact CD1-CB 4.01Å; F56-M76 HydrophobicContact CD1-CG 4.19Å; F56-M76 HydrophobicContact CD2-CB 4.3Å; F56-M76 HydrophobicContact CE1-CB 4.03Å; F56-M76 HydrophobicContact CE2-CB 4.32Å; F56-M76 HydrophobicContact CG-CB 4.09Å; F56-M76 HydrophobicContact CG-CG 4.05Å; F56-M76 HydrophobicContact CZ-CB 4.13Å; F56-F79 HydrophobicContact CB-CD1 3.79Å; F56-F79 HydrophobicContact CB-CE1 4.13Å; F56-F79 HydrophobicContact CD2-CB 3.6Å; F56-F79 AromaticContact CD2-CD1 3.79Å; F56-F79 HydrophobicContact CD2-CD1 3.79Å; F56-F79 HydrophobicContact CD2-CD2 4.5Å; F56-F79 AromaticContact CD2-CG 3.72Å; F56-F79 HydrophobicContact CD2-CG 3.72Å; F56-F79 HydrophobicContact CE2-CB 3.97Å; F56-F79 HydrophobicContact CE2-CG 4.49Å; F56-F79 HydrophobicContact CG-CD1 4.3Å
57	H	67.9	Low	66.5	Low	46 Å²	46	44.3 Å²	44.3	21%	0.213	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-31.8	175.3	-168.9	83.6	0	0	0	113.4	A53 G54 E55 R60	A53-H57 WeakPolarHBondContact O-CB 3.44Å; A53-H57 PolarHBondContact O-N 2.83Å; G54-H57 WeakPolarHBondContact O-CB 3.42Å; G54-H57 PolarHBondContact O-N 3.22Å; E55-H57 VanDerWaalsContact C-N 3.28Å; E55-H57 PolarHBondContact O-N 3.45Å; H57-R60 PolarHBondContact CE1-NH2 2.86Å; H57-R60 VanDerWaalsContact CE1-NH2 3.27Å; H57-R60 PolarHBondContact ND1-NE 2.83Å
58	C	62.9	Low	66.9	Low	22 Å²	22	46.3 Å²	46.3	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-83.7	-26	-179.3	-59.9	0	0	0	0	114.1	G54 E55 F56 K100 V104	G54-C58 PolarHBondContact O-N 2.88Å; G54-C58 VanDerWaalsContact O-N 3.16Å; G54-C58 PolarHBondContact O-SG 3.5Å; E55-C58 WeakPolarHBondContact O-CA 3.49Å; E55-C58 WeakPolarHBondContact O-CB 3.25Å; E55-C58 PolarHBondContact O-N 2.89Å; F56-C58 PolarHBondContact O-N 3.35Å; C58-K100 WeakPolarHBondContact O-CE 3.28Å; C58-K100 PolarHBondContact O-NZ 2.87Å; C58-V104 HydrophobicContact CB-CG2 4.03Å; C58-V104 WeakPolarHBondContact SG-CG1 3.35Å; C58-V104 WeakPolarHBondContact SG-CG2 3.49Å
59	F	64.5	Low	66.7	Low	68 Å²	68	51 Å²	51	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-112.7	-7.4	-174	-66.3	-73	0	0	0	113.8	E55 F56 F79 F87 W101	E55-F59 HydrophobicContact CB-CD2 4.41Å; E55-F59 WeakPolarHBondContact O-CD2 3.38Å; E55-F59 PolarHBondContact O-N 3.35Å; F56-F59 PolarHBondContact O-N 3.02Å; F59-F79 HydrophobicContact CB-CE2 3.66Å; F59-F79 HydrophobicContact CB-CZ 3.72Å; F59-F79 HydrophobicContact CD2-CE2 4.34Å; F59-F79 AromaticContact CD2-CZ 3.65Å; F59-F79 HydrophobicContact CD2-CZ 3.65Å; F59-F79 HydrophobicContact CG-CE2 4.23Å; F59-F79 AromaticContact CG-CZ 3.99Å; F59-F79 HydrophobicContact CG-CZ 3.99Å; F59-F87 HydrophobicContact CE2-CE1 4.14Å; F59-W101 HydrophobicContact CE2-CH2 4.19Å; F59-W101 HydrophobicContact CZ-CH2 4.02Å
60	R	66.4	Low	66.6	Low	35 Å²	35	57.6 Å²	57.6	13%	0.132	29%	0.288	C	S	.	.			trans	-64.8	139.4	-178.7	64.4	-166.7	-179.8	111.7	10.7	112.2	L28 F56 H57 I64 E65	L28-R60 VanDerWaalsContact CD1-NH2 3.28Å; F56-R60 HydrophobicContact CD2-CB 4.42Å; F56-R60 HydrophobicContact CE1-CB 4.45Å; F56-R60 HydrophobicContact CE2-CB 4.33Å; F56-R60 HydrophobicContact CZ-CB 4.39Å; F56-R60 WeakPolarHBondContact O-CA 3.48Å; F56-R60 WeakPolarHBondContact O-CB 3.42Å; F56-R60 VanDerWaalsContact O-CG 3.32Å; F56-R60 WeakPolarHBondContact O-CG 3.15Å; F56-R60 PolarHBondContact O-N 3.14Å; H57-R60 PolarHBondContact CE1-NH2 2.86Å; H57-R60 VanDerWaalsContact CE1-NH2 3.27Å; H57-R60 PolarHBondContact ND1-NE 2.83Å; R60-I64 HydrophobicContact CB-CG2 3.93Å; R60-I64 HydrophobicContact CG-CG2 3.97Å; R60-E65 IonicContact CZ-OE1 3.51Å; R60-E65 VanDerWaalsContact NH1-CG 3.31Å; R60-E65 IonicContact NH1-OE1 3.5Å; R60-E65 PolarHBondContact NH1-OE1 3.36Å; R60-E65 IonicContact NH2-OE1 2.79Å; R60-E65 PolarHBondContact NH2-OE1 2.93Å
61	P	61.7	Low	66.5	Low	76 Å²	76	61.7 Å²	61.7	49%	0.494	31%	0.307	S	S	.	.			trans	-59.3	143.9	164.4	-19	31.3	0	0	0	110.8	E63 I64	P61-E63 WeakPolarHBondContact CA-OE2 3.44Å; P61-E63 WeakPolarHBondContact CB-OE2 3.35Å; P61-E63 PolarHBondContact O-N 2.91Å; P61-I64 VanDerWaalsContact O-CG2 3.27Å; P61-I64 WeakPolarHBondContact O-CG2 3.48Å; P61-I64 PolarHBondContact O-N 3.07Å
62	A	66.9	Low	66.5	Low	71 Å²	71	62.1 Å²	62.1	59%	0.587	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.5	-178.4	0	0	0	0	0	112.3	I64 E65	A62-I64 PolarHBondContact O-N 2.57Å; A62-I64 VanDerWaalsContact O-N 3.16Å; A62-E65 PolarHBondContact O-N 2.91Å
63	E	64.5	Low	66.4	Low	135 Å²	135	62.9 Å²	62.9	63%	0.631	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.7	-25.7	179.9	-61.9	75.7	-164.8	0	0	112.3	P61 E65 R66	P61-E63 WeakPolarHBondContact CA-OE2 3.44Å; P61-E63 WeakPolarHBondContact CB-OE2 3.35Å; P61-E63 PolarHBondContact O-N 2.91Å; E63-E65 PolarHBondContact O-N 3Å; E63-R66 PolarHBondContact O-N 3.14Å; E63-R66 VanDerWaalsContact O-N 3.17Å
64	I	66.4	Low	66.3	Low	8 Å²	8	67.6 Å²	67.6	4%	0.041	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-68.6	-18.3	-177	-153.6	145.9	0	0	0	114	F56 R60 P61 A62 R66 C67 R72 E75	F56-I64 HydrophobicContact CE1-CD1 4.07Å; F56-I64 HydrophobicContact CE2-CD1 4.14Å; F56-I64 HydrophobicContact CZ-CD1 3.32Å; F56-I64 HydrophobicContact CZ-CG1 4.43Å; R60-I64 HydrophobicContact CB-CG2 3.93Å; R60-I64 HydrophobicContact CG-CG2 3.97Å; P61-I64 VanDerWaalsContact O-CG2 3.27Å; P61-I64 WeakPolarHBondContact O-CG2 3.48Å; P61-I64 PolarHBondContact O-N 3.07Å; A62-I64 PolarHBondContact O-N 2.57Å; A62-I64 VanDerWaalsContact O-N 3.16Å; I64-R66 PolarHBondContact O-N 3.48Å; I64-C67 HydrophobicContact CG1-CB 4.32Å; I64-C67 WeakPolarHBondContact O-CB 3.5Å; I64-C67 PolarHBondContact O-N 3.29Å; I64-C67 VanDerWaalsContact O-N 3.15Å; I64-R72 HydrophobicContact CG1-CB 4.36Å; I64-R72 HydrophobicContact CG1-CG 3.9Å; I64-R72 WeakPolarHBondContact O-CD 3.19Å; I64-R72 PolarHBondContact O-NE 2.8Å; I64-E75 HydrophobicContact CD1-CB 3.38Å; I64-E75 HydrophobicContact CD1-CG 3.6Å
65	E	64.4	Low	66.5	Low	107 Å²	107	71.6 Å²	71.6	50%	0.5	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-64.9	-17.9	176.1	-66.5	-172.2	165.8	0	0	112.2	R60 A62 E63 R72	R60-E65 IonicContact CZ-OE1 3.51Å; R60-E65 VanDerWaalsContact NH1-CG 3.31Å; R60-E65 IonicContact NH1-OE1 3.5Å; R60-E65 PolarHBondContact NH1-OE1 3.36Å; R60-E65 IonicContact NH2-OE1 2.79Å; R60-E65 PolarHBondContact NH2-OE1 2.93Å; A62-E65 PolarHBondContact O-N 2.91Å; E63-E65 PolarHBondContact O-N 3Å; E65-R72 PolarHBondContact O-NH2 2.8Å
66	R	67.5	Low	66.7	Low	236 Å²	236	71.7 Å²	71.7	89%	0.891	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-97.1	-7.8	177.9	-59.5	-179.4	-178.2	172.3	0.8	113.4	E63 I64	E63-R66 PolarHBondContact O-N 3.14Å; E63-R66 VanDerWaalsContact O-N 3.17Å; I64-R66 PolarHBondContact O-N 3.48Å
67	C	68.1	Low	66.6	Low	40 Å²	40	73.3 Å²	73.3	27%	0.27	36%	0.36	S	S	.	.	S	Bend	trans	-75.9	154.8	-180	-66.5	0	0	0	0	112.2	I64 Q71 R72	I64-C67 HydrophobicContact CG1-CB 4.32Å; I64-C67 WeakPolarHBondContact O-CB 3.5Å; I64-C67 PolarHBondContact O-N 3.29Å; I64-C67 VanDerWaalsContact O-N 3.15Å; C67-Q71 HydrophobicContact CB-CB 3.8Å; C67-R72 HydrophobicContact CB-CG 3.92Å; C67-R72 PolarHBondContact O-NE 3.44Å
68	S	69.5	Low	66.7	Low	55 Å²	55	76.3 Å²	76.3	39%	0.385	38%	0.377	S	S	.	.			trans	-63.3	157.5	171.2	74.4	0	0	0	0	110.7	E70 Q71 R72	S68-E70 VanDerWaalsContact C-N 3.27Å; S68-E70 PolarHBondContact O-N 2.78Å; S68-Q71 WeakPolarHBondContact O-CB 3.31Å; S68-Q71 PolarHBondContact O-N 2.86Å; S68-Q71 VanDerWaalsContact O-N 3.08Å; S68-Q71 WeakPolarHBondContact OG-CG 3.32Å; S68-Q71 PolarHBondContact OG-N 2.78Å; S68-R72 WeakPolarHBondContact O-CG 3.2Å; S68-R72 PolarHBondContact O-N 2.86Å
69	F	61.7	Low	67.1	Low	107 Å²	107	76 Å²	76	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-50.7	-46.7	177.4	174.4	-95.3	0	0	0	112.8	P30 Q71 R72 F73	P30-F69 HydrophobicContact CB-CE2 4.19Å; P30-F69 HydrophobicContact CB-CZ 4Å; P30-F69 HydrophobicContact CG-CE2 4.1Å; P30-F69 HydrophobicContact CG-CZ 3.73Å; F69-Q71 PolarHBondContact O-N 3.49Å; F69-R72 PolarHBondContact O-N 3.37Å; F69-F73 PolarHBondContact O-N 3.35Å
70	E	64.3	Low	67.4	Low	140 Å²	140	74.7 Å²	74.7	65%	0.654	37%	0.367	S	S	*	.	H	α-helix	trans	-60.9	-43	178.5	-65.1	174.5	177.8	0	0	112	S68 F73 L74	S68-E70 VanDerWaalsContact C-N 3.27Å; S68-E70 PolarHBondContact O-N 2.78Å; E70-F73 PolarHBondContact O-N 3.16Å; E70-L74 WeakPolarHBondContact O-CG 3.32Å; E70-L74 PolarHBondContact O-N 3.47Å
71	Q	66.2	Low	67.6	Low	101 Å²	101	77.8 Å²	77.8	47%	0.472	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-43.9	176.8	-75.1	173	-21.2	0	0	111.7	C67 S68 F69 F73 L74 E75	C67-Q71 HydrophobicContact CB-CB 3.8Å; S68-Q71 WeakPolarHBondContact O-CB 3.31Å; S68-Q71 PolarHBondContact O-N 2.86Å; S68-Q71 VanDerWaalsContact O-N 3.08Å; S68-Q71 WeakPolarHBondContact OG-CG 3.32Å; S68-Q71 PolarHBondContact OG-N 2.78Å; F69-Q71 PolarHBondContact O-N 3.49Å; Q71-F73 PolarHBondContact O-N 2.98Å; Q71-L74 PolarHBondContact O-N 2.96Å; Q71-E75 WeakPolarHBondContact O-CB 3.1Å; Q71-E75 VanDerWaalsContact O-CG 3.23Å; Q71-E75 WeakPolarHBondContact O-CG 3.46Å; Q71-E75 PolarHBondContact O-N 3.05Å
72	R	66.8	Low	67.9	Low	33 Å²	33	77 Å²	77	13%	0.125	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-35.8	177.5	-58.3	-165.4	-166.7	150.9	-4.1	111.9	S27 I64 E65 C67 S68 F69 M76	S27-R72 PolarHBondContact O-NH1 3.38Å; I64-R72 HydrophobicContact CG1-CB 4.36Å; I64-R72 HydrophobicContact CG1-CG 3.9Å; I64-R72 WeakPolarHBondContact O-CD 3.19Å; I64-R72 PolarHBondContact O-NE 2.8Å; E65-R72 PolarHBondContact O-NH2 2.8Å; C67-R72 HydrophobicContact CB-CG 3.92Å; C67-R72 PolarHBondContact O-NE 3.44Å; S68-R72 WeakPolarHBondContact O-CG 3.2Å; S68-R72 PolarHBondContact O-N 2.86Å; F69-R72 PolarHBondContact O-N 3.37Å; R72-M76 PolarHBondContact O-N 2.9Å
73	F	67.5	Low	67.9	Low	26 Å²	26	76.1 Å²	76.1	11%	0.114	39%	0.388	C	S	.	.	H	α-helix	trans	-69	-46.3	177.3	-167.9	-87.4	0	0	0	111.8	F69 E70 Q71 E75 M76 E77 P141 I143	F69-F73 PolarHBondContact O-N 3.35Å; E70-F73 PolarHBondContact O-N 3.16Å; Q71-F73 PolarHBondContact O-N 2.98Å; F73-E75 VanDerWaalsContact C-N 3.32Å; F73-E75 PolarHBondContact O-N 3.19Å; F73-M76 HydrophobicContact CD2-CE 3.89Å; F73-M76 HydrophobicContact CE2-CE 3.49Å; F73-M76 VanDerWaalsContact CE2-CE 3.49Å; F73-M76 HydrophobicContact CZ-CE 3.9Å; F73-M76 WeakPolarHBondContact O-CB 3.21Å; F73-M76 PolarHBondContact O-N 3.29Å; F73-M76 VanDerWaalsContact O-N 3.1Å; F73-E77 HydrophobicContact CD1-CG 4.23Å; F73-E77 VanDerWaalsContact CE1-CD 3.46Å; F73-E77 HydrophobicContact CE1-CG 3.77Å; F73-E77 WeakPolarHBondContact CE1-OE1 3.47Å; F73-E77 HydrophobicContact CZ-CG 4.42Å; F73-E77 PolarHBondContact O-N 2.87Å; F73-P141 HydrophobicContact CE1-CB 3.53Å; F73-P141 HydrophobicContact CE1-CG 4.15Å; F73-P141 HydrophobicContact CE2-CB 4.39Å; F73-P141 HydrophobicContact CE2-CG 4.35Å; F73-P141 HydrophobicContact CZ-CB 3.32Å; F73-P141 HydrophobicContact CZ-CG 3.69Å; F73-I143 HydrophobicContact CZ-CG2 4.2Å
74	L	68.7	Low	67.9	Low	99 Å²	99	73.1 Å²	73.1	52%	0.518	38%	0.375	S	S	.	.	H	α-helix	trans	-57.8	-44.6	174.1	-73.4	169.4	0	0	0	111.7	E70 Q71 M76 E77 L78	E70-L74 WeakPolarHBondContact O-CG 3.32Å; E70-L74 PolarHBondContact O-N 3.47Å; Q71-L74 PolarHBondContact O-N 2.96Å; L74-M76 VanDerWaalsContact C-N 3.3Å; L74-M76 PolarHBondContact O-N 2.92Å; L74-E77 PolarHBondContact O-N 3.25Å; L74-E77 VanDerWaalsContact O-N 3.13Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.06Å
75	E	71	Confident	67.4	Low	89 Å²	89	75.2 Å²	75.2	42%	0.416	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-34.3	176	-73	-70.4	166.5	0	0	112.5	F56 I64 Q71 F73 F79	F56-E75 VanDerWaalsContact CE2-C 3.46Å; F56-E75 HydrophobicContact CE2-CB 3.97Å; F56-E75 WeakPolarHBondContact CE2-O 3.4Å; F56-E75 HydrophobicContact CZ-CB 3.65Å; I64-E75 HydrophobicContact CD1-CB 3.38Å; I64-E75 HydrophobicContact CD1-CG 3.6Å; Q71-E75 WeakPolarHBondContact O-CB 3.1Å; Q71-E75 VanDerWaalsContact O-CG 3.23Å; Q71-E75 WeakPolarHBondContact O-CG 3.46Å; Q71-E75 PolarHBondContact O-N 3.05Å; F73-E75 VanDerWaalsContact C-N 3.32Å; F73-E75 PolarHBondContact O-N 3.19Å; E75-F79 WeakPolarHBondContact O-CB 3.31Å; E75-F79 PolarHBondContact O-N 2.88Å
76	M	73.1	Confident	67.1	Low	4 Å²	4	70.3 Å²	70.3	2%	0.02	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-39.4	172.6	-175	-170.2	69.5	0	0	111.4	I29 V52 A53 F56 R72 F73 L74 R80	I29-M76 HydrophobicContact CD1-SD 3.84Å; I29-M76 HydrophobicContact CG1-SD 4.35Å; I29-M76 HydrophobicContact CG2-SD 4.36Å; V52-M76 HydrophobicContact CG1-CG 3.81Å; V52-M76 HydrophobicContact CG1-SD 4.32Å; A53-M76 HydrophobicContact CB-SD 4.46Å; F56-M76 HydrophobicContact CB-CG 4.09Å; F56-M76 HydrophobicContact CD1-CB 4.01Å; F56-M76 HydrophobicContact CD1-CG 4.19Å; F56-M76 HydrophobicContact CD2-CB 4.3Å; F56-M76 HydrophobicContact CE1-CB 4.03Å; F56-M76 HydrophobicContact CE2-CB 4.32Å; F56-M76 HydrophobicContact CG-CB 4.09Å; F56-M76 HydrophobicContact CG-CG 4.05Å; F56-M76 HydrophobicContact CZ-CB 4.13Å; R72-M76 PolarHBondContact O-N 2.9Å; F73-M76 HydrophobicContact CD2-CE 3.89Å; F73-M76 HydrophobicContact CE2-CE 3.49Å; F73-M76 VanDerWaalsContact CE2-CE 3.49Å; F73-M76 HydrophobicContact CZ-CE 3.9Å; F73-M76 WeakPolarHBondContact O-CB 3.21Å; F73-M76 PolarHBondContact O-N 3.29Å; F73-M76 VanDerWaalsContact O-N 3.1Å; L74-M76 VanDerWaalsContact C-N 3.3Å; L74-M76 PolarHBondContact O-N 2.92Å; M76-R80 WeakPolarHBondContact O-CB 3.44Å; M76-R80 PolarHBondContact O-N 3.33Å
77	E	69.6	Low	66.4	Low	41 Å²	41	61.3 Å²	61.3	19%	0.192	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-41.4	175.4	-69.2	-168.3	138.2	0	0	112.4	F73 L74 R80 S81	F73-E77 HydrophobicContact CD1-CG 4.23Å; F73-E77 VanDerWaalsContact CE1-CD 3.46Å; F73-E77 HydrophobicContact CE1-CG 3.77Å; F73-E77 WeakPolarHBondContact CE1-OE1 3.47Å; F73-E77 HydrophobicContact CZ-CG 4.42Å; F73-E77 PolarHBondContact O-N 2.87Å; L74-E77 PolarHBondContact O-N 3.25Å; L74-E77 VanDerWaalsContact O-N 3.13Å; E77-R80 WeakPolarHBondContact O-CB 3.47Å; E77-R80 PolarHBondContact O-N 3.27Å; E77-S81 PolarHBondContact O-N 3.19Å; E77-S81 PolarHBondContact O-OG 2.9Å
78	L	69.7	Low	65.6	Low	109 Å²	109	61.8 Å²	61.8	57%	0.571	35%	0.346	S	S	*	.	H	α-helix	trans	-61.4	-46.4	172.4	-72.9	174.9	0	0	0	110.5	L74 R80 S81 S82	L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.06Å; L78-R80 PolarHBondContact O-N 3.45Å; L78-S81 CarbonylContact O-C 3.58Å; L78-S81 PolarHBondContact O-N 2.98Å; L78-S81 VanDerWaalsContact O-N 3.14Å; L78-S82 PolarHBondContact O-N 2.94Å
79	F	71.4	Confident	64.7	Low	17 Å²	17	61.7 Å²	61.7	8%	0.075	34%	0.339	C	S	.	.	H	α-helix	trans	-54.9	-56	173.3	178.2	-111.6	0	0	0	108.9	E55 F56 F59 E75 S81 S82 I84 R86	E55-F79 HydrophobicContact CB-CE1 3.65Å; E55-F79 HydrophobicContact CB-CZ 4.17Å; F56-F79 HydrophobicContact CB-CD1 3.79Å; F56-F79 HydrophobicContact CB-CE1 4.13Å; F56-F79 HydrophobicContact CD2-CB 3.6Å; F56-F79 AromaticContact CD2-CD1 3.79Å; F56-F79 HydrophobicContact CD2-CD1 3.79Å; F56-F79 HydrophobicContact CD2-CD2 4.5Å; F56-F79 AromaticContact CD2-CG 3.72Å; F56-F79 HydrophobicContact CD2-CG 3.72Å; F56-F79 HydrophobicContact CE2-CB 3.97Å; F56-F79 HydrophobicContact CE2-CG 4.49Å; F56-F79 HydrophobicContact CG-CD1 4.3Å; F59-F79 HydrophobicContact CB-CE2 3.66Å; F59-F79 HydrophobicContact CB-CZ 3.72Å; F59-F79 HydrophobicContact CD2-CE2 4.34Å; F59-F79 AromaticContact CD2-CZ 3.65Å; F59-F79 HydrophobicContact CD2-CZ 3.65Å; F59-F79 HydrophobicContact CG-CE2 4.23Å; F59-F79 AromaticContact CG-CZ 3.99Å; F59-F79 HydrophobicContact CG-CZ 3.99Å; E75-F79 WeakPolarHBondContact O-CB 3.31Å; E75-F79 PolarHBondContact O-N 2.88Å; F79-S81 PolarHBondContact O-N 3.4Å; F79-S82 VanDerWaalsContact O-CB 3.28Å; F79-S82 WeakPolarHBondContact O-CB 3.34Å; F79-S82 PolarHBondContact O-N 3.17Å; F79-S82 PolarHBondContact O-OG 2.95Å; F79-I84 HydrophobicContact CD2-CD1 3.98Å; F79-I84 HydrophobicContact CE2-CB 4.31Å; F79-I84 HydrophobicContact CE2-CD1 3.79Å; F79-I84 HydrophobicContact CE2-CG2 4.21Å; F79-R86 VanDerWaalsContact CD1-NH1 3.32Å; F79-R86 PolarHBondContact O-NH2 3.37Å
80	R	69.3	Low	64.1	Low	40 Å²	40	62.8 Å²	62.8	15%	0.151	36%	0.357	C	S	.	.	H	α-helix	trans	-46	-40.2	178.3	-171.5	-178.9	-179.5	-148.3	2.5	112.6	V52 M76 E77 L78 R86 I143 Q152	V52-R80 HydrophobicContact CG1-CB 3.97Å; V52-R80 HydrophobicContact CG1-CG 4.22Å; V52-R80 HydrophobicContact CG2-CG 3.93Å; M76-R80 WeakPolarHBondContact O-CB 3.44Å; M76-R80 PolarHBondContact O-N 3.33Å; E77-R80 WeakPolarHBondContact O-CB 3.47Å; E77-R80 PolarHBondContact O-N 3.27Å; L78-R80 PolarHBondContact O-N 3.45Å; R80-R86 VanDerWaalsContact CA-CZ 3.49Å; R80-R86 VanDerWaalsContact CA-NH2 3.29Å; R80-R86 PolarHBondContact O-NE 2.97Å; R80-I143 VanDerWaalsContact CZ-CD1 3.47Å; R80-Q152 PolarHBondContact NH2-O 3.12Å
81	S	70.8	Confident	63.5	Low	99 Å²	99	63.7 Å²	63.7	69%	0.692	36%	0.361	S	S	*	.	H	α-helix	trans	-88.1	-12.6	-176.1	-50.8	0	0	0	0	114.6	E77 L78 F79 G83	E77-S81 PolarHBondContact O-N 3.19Å; E77-S81 PolarHBondContact O-OG 2.9Å; L78-S81 CarbonylContact O-C 3.58Å; L78-S81 PolarHBondContact O-N 2.98Å; L78-S81 VanDerWaalsContact O-N 3.14Å; F79-S81 PolarHBondContact O-N 3.4Å; S81-G83 PolarHBondContact O-N 3.42Å; S81-G83 VanDerWaalsContact O-N 3.09Å
82	S	69.5	Low	62.7	Low	61 Å²	61	61.3 Å²	61.3	43%	0.427	35%	0.351	S	S	.	.	S	Bend	trans	-67.1	-8.3	-172.2	65.1	0	0	0	0	116.5	L78 F79 I84	L78-S82 PolarHBondContact O-N 2.94Å; F79-S82 VanDerWaalsContact O-CB 3.28Å; F79-S82 WeakPolarHBondContact O-CB 3.34Å; F79-S82 PolarHBondContact O-N 3.17Å; F79-S82 PolarHBondContact O-OG 2.95Å; S82-I84 PolarHBondContact O-N 3.2Å; S82-I84 VanDerWaalsContact O-N 3.14Å; S82-I84 WeakPolarHBondContact OG-CD1 3.34Å; S82-I84 VanDerWaalsContact OG-CG1 3.31Å; S82-I84 WeakPolarHBondContact OG-CG1 3.46Å; S82-I84 PolarHBondContact OG-N 2.63Å
83	G	65.8	Low	62	Low	52 Å²	52	63.9 Å²	63.9	54%	0.536	37%	0.374	S	S	.	.			trans	70.6	-0.1	-175.5	0	0	0	0	0	115.2	S81	S81-G83 PolarHBondContact O-N 3.42Å; S81-G83 VanDerWaalsContact O-N 3.09Å
84	I	63.7	Low	61.1	Low	71 Å²	71	68.5 Å²	68.5	36%	0.364	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-54.2	131.6	173.4	-67.9	170.9	0	0	0	109.2	F79 S82 R86	F79-I84 HydrophobicContact CD2-CD1 3.98Å; F79-I84 HydrophobicContact CE2-CB 4.31Å; F79-I84 HydrophobicContact CE2-CD1 3.79Å; F79-I84 HydrophobicContact CE2-CG2 4.21Å; S82-I84 PolarHBondContact O-N 3.2Å; S82-I84 VanDerWaalsContact O-N 3.14Å; S82-I84 WeakPolarHBondContact OG-CD1 3.34Å; S82-I84 VanDerWaalsContact OG-CG1 3.31Å; S82-I84 WeakPolarHBondContact OG-CG1 3.46Å; S82-I84 PolarHBondContact OG-N 2.63Å; I84-R86 WeakPolarHBondContact O-CG 3.48Å; I84-R86 PolarHBondContact O-N 2.86Å
85	P	55.9	Low	60.3	Low	52 Å²	52	72.6 Å²	72.6	34%	0.338	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-53.5	124.9	177.5	-29.2	35.9	0	0	0	112.5	M92	P85-M92 HydrophobicContact CB-CG 3.86Å
86	R	60.1	Low	59.2	Low	4 Å²	4	76.5 Å²	76.5	2%	0.015	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-103.5	168.7	-174.8	-72.2	-177.3	-176.4	-74.6	-29.3	111.6	E55 F79 R80 I84 G88 Q89	E55-R86 WeakPolarHBondContact OE1-CB 3.23Å; E55-R86 WeakPolarHBondContact OE2-CB 3.33Å; E55-R86 WeakPolarHBondContact OE2-CD 3.35Å; E55-R86 WeakPolarHBondContact OE2-CG 3.22Å; E55-R86 IonicContact OE2-CZ 3.53Å; E55-R86 IonicContact OE2-NE 3.77Å; E55-R86 IonicContact OE2-NH1 2.69Å; E55-R86 PolarHBondContact OE2-NH1 2.85Å; F79-R86 VanDerWaalsContact CD1-NH1 3.32Å; F79-R86 PolarHBondContact O-NH2 3.37Å; R80-R86 VanDerWaalsContact CA-CZ 3.49Å; R80-R86 VanDerWaalsContact CA-NH2 3.29Å; R80-R86 PolarHBondContact O-NE 2.97Å; I84-R86 WeakPolarHBondContact O-CG 3.48Å; I84-R86 PolarHBondContact O-N 2.86Å; R86-G88 PolarHBondContact O-N 3.45Å; R86-Q89 PolarHBondContact O-N 2.82Å; R86-Q89 VanDerWaalsContact O-N 3.08Å
87	F	52	Low	58.2	Low	47 Å²	47	77.5 Å²	77.5	21%	0.206	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	129.2	178.2	-55.2	-19.6	0	0	0	109.5	Q51 E55 F59 W101	Q51-F87 HydrophobicContact CG-CD2 4.1Å; Q51-F87 PolarHBondContact NE2-O 2.8Å; Q51-F87 VanDerWaalsContact NE2-O 3.14Å; E55-F87 HydrophobicContact CB-CE1 4.25Å; E55-F87 HydrophobicContact CB-CE2 4.37Å; E55-F87 HydrophobicContact CB-CZ 4.11Å; E55-F87 HydrophobicContact CG-CD1 3.64Å; E55-F87 HydrophobicContact CG-CD2 3.47Å; E55-F87 VanDerWaalsContact CG-CD2 3.47Å; E55-F87 HydrophobicContact CG-CE1 3.44Å; E55-F87 VanDerWaalsContact CG-CE1 3.44Å; E55-F87 HydrophobicContact CG-CE2 3.4Å; E55-F87 HydrophobicContact CG-CG 3.64Å; E55-F87 HydrophobicContact CG-CZ 3.41Å; E55-F87 VanDerWaalsContact CG-CZ 3.41Å; E55-F87 WeakPolarHBondContact OE1-CB 3.39Å; E55-F87 WeakPolarHBondContact OE1-CG 3.4Å; E55-F87 PolarHBondContact OE1-N 3.09Å; F59-F87 HydrophobicContact CE2-CE1 4.14Å; F87-W101 HydrophobicContact CD1-CE3 4.44Å; F87-W101 AromaticContact CD1-CH2 3.08Å; F87-W101 HydrophobicContact CD1-CH2 3.08Å; F87-W101 AromaticContact CD1-CZ2 3.86Å; F87-W101 HydrophobicContact CD1-CZ2 3.86Å; F87-W101 AromaticContact CD1-CZ3 3.4Å; F87-W101 HydrophobicContact CD1-CZ3 3.4Å; F87-W101 HydrophobicContact CE1-CE3 4.12Å; F87-W101 AromaticContact CE1-CH2 2.94Å; F87-W101 HydrophobicContact CE1-CH2 2.94Å; F87-W101 HydrophobicContact CE1-CZ2 4.11Å; F87-W101 AromaticContact CE1-CZ3 2.91Å; F87-W101 HydrophobicContact CE1-CZ3 2.91Å; F87-W101 HydrophobicContact CG-CH2 4.37Å; F87-W101 HydrophobicContact CZ-CH2 4.08Å; F87-W101 AromaticContact CZ-CZ3 3.62Å; F87-W101 HydrophobicContact CZ-CZ3 3.62Å
88	G	51.1	Low	57	Low	51 Å²	51	81.7 Å²	81.7	53%	0.526	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	0.1	178.2	0	0	0	0	0	116.2	R86	R86-G88 PolarHBondContact O-N 3.45Å
89	Q	51.5	Low	56.2	Low	52 Å²	52	81.1 Å²	81.1	24%	0.243	47%	0.47	C	S	.	.			trans	-76.9	134.9	171	-73.4	-170.2	-78.5	0	0	111.5	R86 E91	R86-Q89 PolarHBondContact O-N 2.82Å; R86-Q89 VanDerWaalsContact O-N 3.08Å; Q89-E91 PolarHBondContact O-N 3.25Å
90	P	48.1	Very low	55.2	Low	130 Å²	130	85.3 Å²	85.3	84%	0.844	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.6	-176	26.7	-33.8	0	0	0	114	M92	P90-M92 VanDerWaalsContact C-N 3.34Å; P90-M92 PolarHBondContact O-N 3.22Å
91	E	52.3	Low	54.1	Low	160 Å²	160	86.4 Å²	86.4	75%	0.748	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	0.2	-176.3	-64	-177.9	176.2	0	0	114.4	Q89 S93	Q89-E91 PolarHBondContact O-N 3.25Å; E91-S93 PolarHBondContact O-N 2.86Å
92	M	49.6	Very low	53.2	Low	51 Å²	51	86 Å²	86	25%	0.251	49%	0.486	S	S	.	.			trans	-73.1	116.3	175.7	-70.7	-158.6	-62.8	0	0	111.2	P85 P90 V94 W101	P85-M92 HydrophobicContact CB-CG 3.86Å; P90-M92 VanDerWaalsContact C-N 3.34Å; P90-M92 PolarHBondContact O-N 3.22Å; M92-V94 PolarHBondContact O-N 2.83Å; M92-W101 HydrophobicContact CE-CZ2 3.86Å; M92-W101 HydrophobicContact SD-CZ2 3.87Å
93	S	51.2	Low	52.5	Low	86 Å²	86	86 Å²	86	60%	0.601	49%	0.486	S	S	*	.			trans	-58.4	132.1	166.4	61.2	0	0	0	0	109.4	E91 E95 P97	E91-S93 PolarHBondContact O-N 2.86Å; S93-E95 PolarHBondContact O-N 3.19Å; S93-E95 VanDerWaalsContact O-N 3.16Å; S93-P97 WeakPolarHBondContact O-CD 3.18Å; S93-P97 WeakPolarHBondContact O-CG 3.24Å
94	V	49.1	Very low	51.7	Low	124 Å²	124	84.4 Å²	84.4	75%	0.752	47%	0.465	S	S	*	.	S	Bend	trans	-71.2	-15.6	-161.6	-177.3	0	0	0	0	113.6	M92	M92-V94 PolarHBondContact O-N 2.83Å
95	E	51.1	Low	50.9	Low	184 Å²	184	83.5 Å²	83.5	86%	0.86	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-41.7	-158.5	-62.4	-174.9	163.8	0	0	115.1	S93	S93-E95 PolarHBondContact O-N 3.19Å; S93-E95 VanDerWaalsContact O-N 3.16Å
96	E	48.5	Very low	50.8	Low	172 Å²	172	82.9 Å²	82.9	80%	0.804	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-35.2	173.9	-104.9	-176.1	150.5	0	0	115.4	H98	E96-H98 PolarHBondContact O-N 2.89Å
97	P	52.2	Low	50.4	Low	24 Å²	24	88.7 Å²	88.7	16%	0.156	50%	0.497	C	S	.	.	H	α-helix	trans	-70.2	-29.7	-172.8	-19.5	30.9	0	0	0	113.4	S93 S99 K100 W101	S93-P97 WeakPolarHBondContact O-CD 3.18Å; S93-P97 WeakPolarHBondContact O-CG 3.24Å; P97-S99 PolarHBondContact O-N 2.82Å; P97-K100 CarbonylContact O-C 3.58Å; P97-K100 PolarHBondContact O-N 3.13Å; P97-W101 VanDerWaalsContact CB-CD1 3.44Å; P97-W101 HydrophobicContact CB-CG 4.41Å; P97-W101 HydrophobicContact CB-CZ2 4.18Å; P97-W101 VanDerWaalsContact O-CB 3.24Å; P97-W101 WeakPolarHBondContact O-CB 3.48Å; P97-W101 PolarHBondContact O-N 3.4Å
98	H	45.4	Very low	50.2	Low	130 Å²	130	88.8 Å²	88.8	60%	0.602	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-39.6	-166.6	-160	76.6	0	0	0	114.9	E96 W101 T102	E96-H98 PolarHBondContact O-N 2.89Å; H98-W101 WeakPolarHBondContact O-CB 3.46Å; H98-W101 PolarHBondContact O-N 2.98Å; H98-T102 PolarHBondContact O-N 3.01Å; H98-T102 PolarHBondContact O-OG1 3.41Å
99	S	52.8	Low	50.1	Low	97 Å²	97	90.5 Å²	90.5	68%	0.678	50%	0.5	S	S	*	.	H	α-helix	trans	-69.9	-44.8	176	-178.1	0	0	0	0	111.1	P97 W101 T102 S103	P97-S99 PolarHBondContact O-N 2.82Å; S99-W101 PolarHBondContact O-N 3.41Å; S99-T102 PolarHBondContact O-N 3.1Å; S99-S103 PolarHBondContact O-N 3.03Å
100	K	50.3	Low	50.2	Low	104 Å²	104	90.7 Å²	90.7	45%	0.452	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-36.9	174.5	-155.4	173.3	-177	-174.8	0	110.5	C58 P97 S103 V104	C58-K100 WeakPolarHBondContact O-CE 3.28Å; C58-K100 PolarHBondContact O-NZ 2.87Å; P97-K100 CarbonylContact O-C 3.58Å; P97-K100 PolarHBondContact O-N 3.13Å; K100-S103 PolarHBondContact O-N 3.35Å; K100-V104 WeakPolarHBondContact O-CB 3.35Å; K100-V104 WeakPolarHBondContact O-CG2 3.26Å; K100-V104 PolarHBondContact O-N 3.25Å
101	W	46.2	Very low	50.1	Low	64 Å²	64	85.2 Å²	85.2	24%	0.242	47%	0.474	C	S	.	.	H	α-helix	trans	-65.7	-48.3	175.7	-72.7	137.8	0	0	0	113	F59 F87 M92 P97 H98 S99 S103 V104 A105	F59-W101 HydrophobicContact CE2-CH2 4.19Å; F59-W101 HydrophobicContact CZ-CH2 4.02Å; F87-W101 HydrophobicContact CD1-CE3 4.44Å; F87-W101 AromaticContact CD1-CH2 3.08Å; F87-W101 HydrophobicContact CD1-CH2 3.08Å; F87-W101 AromaticContact CD1-CZ2 3.86Å; F87-W101 HydrophobicContact CD1-CZ2 3.86Å; F87-W101 AromaticContact CD1-CZ3 3.4Å; F87-W101 HydrophobicContact CD1-CZ3 3.4Å; F87-W101 HydrophobicContact CE1-CE3 4.12Å; F87-W101 AromaticContact CE1-CH2 2.94Å; F87-W101 HydrophobicContact CE1-CH2 2.94Å; F87-W101 HydrophobicContact CE1-CZ2 4.11Å; F87-W101 AromaticContact CE1-CZ3 2.91Å; F87-W101 HydrophobicContact CE1-CZ3 2.91Å; F87-W101 HydrophobicContact CG-CH2 4.37Å; F87-W101 HydrophobicContact CZ-CH2 4.08Å; F87-W101 AromaticContact CZ-CZ3 3.62Å; F87-W101 HydrophobicContact CZ-CZ3 3.62Å; M92-W101 HydrophobicContact CE-CZ2 3.86Å; M92-W101 HydrophobicContact SD-CZ2 3.87Å; P97-W101 VanDerWaalsContact CB-CD1 3.44Å; P97-W101 HydrophobicContact CB-CG 4.41Å; P97-W101 HydrophobicContact CB-CZ2 4.18Å; P97-W101 VanDerWaalsContact O-CB 3.24Å; P97-W101 WeakPolarHBondContact O-CB 3.48Å; P97-W101 PolarHBondContact O-N 3.4Å; H98-W101 WeakPolarHBondContact O-CB 3.46Å; H98-W101 PolarHBondContact O-N 2.98Å; S99-W101 PolarHBondContact O-N 3.41Å; W101-S103 PolarHBondContact O-N 2.96Å; W101-V104 PolarHBondContact O-N 3.16Å; W101-A105 VanDerWaalsContact O-CB 3.24Å; W101-A105 WeakPolarHBondContact O-CB 3.19Å; W101-A105 PolarHBondContact O-N 3.28Å
102	T	51.5	Low	49.9	Very low	90 Å²	90	78.5 Å²	78.5	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-60.9	-40	178.3	-57.9	0	0	0	0	110.3	H98 S99 G106	H98-T102 PolarHBondContact O-N 3.01Å; H98-T102 PolarHBondContact O-OG1 3.41Å; S99-T102 PolarHBondContact O-N 3.1Å; T102-G106 PolarHBondContact O-N 3.27Å
103	S	53.9	Low	49.8	Very low	62 Å²	62	79.2 Å²	79.2	43%	0.434	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-47.2	174.3	-172.1	0	0	0	0	112.3	S99 K100 W101 G106 K107	S99-S103 PolarHBondContact O-N 3.03Å; K100-S103 PolarHBondContact O-N 3.35Å; W101-S103 PolarHBondContact O-N 2.96Å; S103-G106 PolarHBondContact O-N 3.42Å; S103-K107 WeakPolarHBondContact O-CB 3.45Å; S103-K107 VanDerWaalsContact O-CG 3.31Å; S103-K107 WeakPolarHBondContact O-CG 3.33Å; S103-K107 PolarHBondContact O-N 2.94Å
104	V	48.6	Very low	49.6	Very low	17 Å²	17	79.2 Å²	79.2	10%	0.103	45%	0.449	C	S	.	.	H	α-helix	trans	-64.6	-44.6	178.7	165.6	0	0	0	0	111.5	C58 K100 W101 G106 K107 L108	C58-V104 HydrophobicContact CB-CG2 4.03Å; C58-V104 WeakPolarHBondContact SG-CG1 3.35Å; C58-V104 WeakPolarHBondContact SG-CG2 3.49Å; K100-V104 WeakPolarHBondContact O-CB 3.35Å; K100-V104 WeakPolarHBondContact O-CG2 3.26Å; K100-V104 PolarHBondContact O-N 3.25Å; W101-V104 PolarHBondContact O-N 3.16Å; V104-G106 VanDerWaalsContact C-N 3.34Å; V104-G106 PolarHBondContact O-N 2.95Å; V104-K107 PolarHBondContact O-N 3.35Å; V104-L108 HydrophobicContact CG1-CD1 3.87Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.05Å
105	A	48.5	Very low	49.2	Very low	52 Å²	52	73.4 Å²	73.4	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-40.7	176.9	0	0	0	0	0	111.2	W101 L108 T109	W101-A105 VanDerWaalsContact O-CB 3.24Å; W101-A105 WeakPolarHBondContact O-CB 3.19Å; W101-A105 PolarHBondContact O-N 3.28Å; A105-L108 PolarHBondContact O-N 3.19Å; A105-T109 VanDerWaalsContact O-CB 3.27Å; A105-T109 WeakPolarHBondContact O-CB 3.04Å; A105-T109 PolarHBondContact O-N 3.5Å; A105-T109 PolarHBondContact O-OG1 3.36Å
106	G	52.7	Low	48.9	Very low	40 Å²	40	69.4 Å²	69.4	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-44.9	172.6	0	0	0	0	0	112.2	T102 S103 V104 T109 A110	T102-G106 PolarHBondContact O-N 3.27Å; S103-G106 PolarHBondContact O-N 3.42Å; V104-G106 VanDerWaalsContact C-N 3.34Å; V104-G106 PolarHBondContact O-N 2.95Å; G106-T109 PolarHBondContact O-N 2.79Å; G106-A110 WeakPolarHBondContact O-CB 3.23Å; G106-A110 PolarHBondContact O-N 3.34Å
107	K	52.2	Low	48.7	Very low	125 Å²	125	66 Å²	66	54%	0.543	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-49.4	174.9	-74.1	175.8	-176.9	-175.4	0	111.5	S103 V104 T109 A110 I111	S103-K107 WeakPolarHBondContact O-CB 3.45Å; S103-K107 VanDerWaalsContact O-CG 3.31Å; S103-K107 WeakPolarHBondContact O-CG 3.33Å; S103-K107 PolarHBondContact O-N 2.94Å; V104-K107 PolarHBondContact O-N 3.35Å; K107-T109 VanDerWaalsContact C-N 3.29Å; K107-T109 PolarHBondContact O-N 3.29Å; K107-A110 PolarHBondContact O-N 2.92Å; K107-I111 WeakPolarHBondContact O-CB 3.09Å; K107-I111 WeakPolarHBondContact O-CD1 2.97Å; K107-I111 WeakPolarHBondContact O-CG1 2.79Å; K107-I111 PolarHBondContact O-N 3.12Å
108	L	48.3	Very low	48	Very low	50 Å²	50	67.1 Å²	67.1	26%	0.262	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-36.4	177.5	-72.6	174.1	0	0	0	112.2	V104 A105 A112	V104-L108 HydrophobicContact CG1-CD1 3.87Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.05Å; A105-L108 PolarHBondContact O-N 3.19Å; L108-A112 VanDerWaalsContact O-CB 3.25Å; L108-A112 WeakPolarHBondContact O-CB 2.92Å; L108-A112 PolarHBondContact O-N 3.48Å
109	T	49.3	Very low	47.5	Very low	87 Å²	87	63.6 Å²	63.6	53%	0.534	38%	0.38	S	S	.	.	H	α-helix	trans	-67.1	-49.6	175	-58.2	0	0	0	0	110.7	A105 G106 K107 I111 A112 T113	A105-T109 VanDerWaalsContact O-CB 3.27Å; A105-T109 WeakPolarHBondContact O-CB 3.04Å; A105-T109 PolarHBondContact O-N 3.5Å; A105-T109 PolarHBondContact O-OG1 3.36Å; G106-T109 PolarHBondContact O-N 2.79Å; K107-T109 VanDerWaalsContact C-N 3.29Å; K107-T109 PolarHBondContact O-N 3.29Å; T109-I111 VanDerWaalsContact C-N 3.27Å; T109-I111 PolarHBondContact O-N 3.24Å; T109-A112 PolarHBondContact O-N 2.86Å; T109-A112 VanDerWaalsContact O-N 3.14Å; T109-T113 PolarHBondContact O-N 3.31Å; T109-T113 PolarHBondContact O-OG1 2.84Å
110	A	51.8	Low	47	Very low	55 Å²	55	64.6 Å²	64.6	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-58.6	-42.1	176.5	0	0	0	0	0	111.6	G106 K107 T113 T114	G106-A110 WeakPolarHBondContact O-CB 3.23Å; G106-A110 PolarHBondContact O-N 3.34Å; K107-A110 PolarHBondContact O-N 2.92Å; A110-T113 PolarHBondContact O-N 2.93Å; A110-T114 WeakPolarHBondContact O-CB 3.36Å; A110-T114 PolarHBondContact O-N 2.75Å; A110-T114 PolarHBondContact O-OG1 3.5Å
111	I	47.1	Very low	46.3	Very low	15 Å²	15	62.5 Å²	62.5	8%	0.077	38%	0.384	C	S	.	.	H	α-helix	trans	-61.4	-48.2	174.9	-75.1	172.5	0	0	0	110.8	G22 Y26 K107 T109 T114 C115	G22-I111 WeakPolarHBondContact O-CG2 3.41Å; Y26-I111 HydrophobicContact CD2-CD1 4.23Å; Y26-I111 HydrophobicContact CE2-CD1 3.6Å; Y26-I111 HydrophobicContact CE2-CG1 3.86Å; K107-I111 WeakPolarHBondContact O-CB 3.09Å; K107-I111 WeakPolarHBondContact O-CD1 2.97Å; K107-I111 WeakPolarHBondContact O-CG1 2.79Å; K107-I111 PolarHBondContact O-N 3.12Å; T109-I111 VanDerWaalsContact C-N 3.27Å; T109-I111 PolarHBondContact O-N 3.24Å; I111-T114 PolarHBondContact O-N 3.15Å; I111-C115 WeakPolarHBondContact O-CB 3.03Å; I111-C115 PolarHBondContact O-N 2.77Å; I111-C115 PolarHBondContact O-SG 2.88Å
112	A	47.6	Very low	45.8	Very low	20 Å²	20	62.8 Å²	62.8	17%	0.165	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-43.8	178	0	0	0	0	0	111.6	L18 L108 T109 C115 E116	L18-A112 HydrophobicContact CB-CB 4.47Å; L18-A112 WeakPolarHBondContact CD2-O 3.39Å; L108-A112 VanDerWaalsContact O-CB 3.25Å; L108-A112 WeakPolarHBondContact O-CB 2.92Å; L108-A112 PolarHBondContact O-N 3.48Å; T109-A112 PolarHBondContact O-N 2.86Å; T109-A112 VanDerWaalsContact O-N 3.14Å; A112-C115 CarbonylContact O-C 3.59Å; A112-C115 PolarHBondContact O-N 3.48Å; A112-E116 WeakPolarHBondContact O-CB 3.12Å; A112-E116 PolarHBondContact O-N 3.09Å
113	T	48.1	Very low	45.1	Very low	66 Å²	66	63.7 Å²	63.7	41%	0.405	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-46.5	176.8	-56	0	0	0	0	111.3	T109 A110 C115 E116 D117	T109-T113 PolarHBondContact O-N 3.31Å; T109-T113 PolarHBondContact O-OG1 2.84Å; A110-T113 PolarHBondContact O-N 2.93Å; T113-C115 PolarHBondContact O-N 3.34Å; T113-E116 WeakPolarHBondContact O-CB 3.47Å; T113-E116 PolarHBondContact O-N 3.43Å; T113-E116 VanDerWaalsContact O-N 3.09Å; T113-D117 VanDerWaalsContact O-CG 3.31Å; T113-D117 PolarHBondContact O-N 3.49Å
114	T	46.1	Very low	44.2	Very low	85 Å²	85	64.2 Å²	64.2	52%	0.521	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-33.3	176.7	-48.9	0	0	0	0	111.2	A110 I111 A118	A110-T114 WeakPolarHBondContact O-CB 3.36Å; A110-T114 PolarHBondContact O-N 2.75Å; A110-T114 PolarHBondContact O-OG1 3.5Å; I111-T114 PolarHBondContact O-N 3.15Å; T114-A118 VanDerWaalsContact O-CB 3.26Å; T114-A118 WeakPolarHBondContact O-CB 3.27Å; T114-A118 PolarHBondContact O-N 3.28Å
115	C	41.4	Very low	43.5	Very low	2 Å²	2	71.8 Å²	71.8	1%	0.014	45%	0.452	C	S	.	.	H	α-helix	trans	-80.6	-29.2	177.1	-69.7	0	0	0	0	113.6	I21 G22 I111 A112 T113 L119	I21-C115 HydrophobicContact CB-CB 3.98Å; I21-C115 HydrophobicContact CG2-CB 3.7Å; I21-C115 PolarHBondContact O-SG 3.21Å; G22-C115 WeakPolarHBondContact CA-SG 3.33Å; G22-C115 PolarHBondContact N-SG 2.97Å; I111-C115 WeakPolarHBondContact O-CB 3.03Å; I111-C115 PolarHBondContact O-N 2.77Å; I111-C115 PolarHBondContact O-SG 2.88Å; A112-C115 CarbonylContact O-C 3.59Å; A112-C115 PolarHBondContact O-N 3.48Å; T113-C115 PolarHBondContact O-N 3.34Å; C115-L119 WeakPolarHBondContact O-CB 3.02Å; C115-L119 VanDerWaalsContact O-CG 3.24Å; C115-L119 WeakPolarHBondContact O-CG 3.34Å; C115-L119 PolarHBondContact O-N 3.05Å
116	E	43.8	Very low	42.7	Very low	100 Å²	100	73 Å²	73	47%	0.467	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-47.4	167.1	-161.3	164	-168.3	0	0	109.8	L18 A112 T113 A118 L119 I120	L18-E116 HydrophobicContact CD2-CB 3.53Å; L18-E116 HydrophobicContact CD2-CG 4.03Å; A112-E116 WeakPolarHBondContact O-CB 3.12Å; A112-E116 PolarHBondContact O-N 3.09Å; T113-E116 WeakPolarHBondContact O-CB 3.47Å; T113-E116 PolarHBondContact O-N 3.43Å; T113-E116 VanDerWaalsContact O-N 3.09Å; E116-A118 PolarHBondContact O-N 2.79Å; E116-L119 PolarHBondContact O-N 3.34Å; E116-I120 HydrophobicContact CG-CD1 4.15Å; E116-I120 WeakPolarHBondContact O-CB 3.4Å; E116-I120 WeakPolarHBondContact O-CD1 3.28Å; E116-I120 WeakPolarHBondContact O-CG1 3.43Å; E116-I120 PolarHBondContact O-N 3.25Å
117	D	44.7	Very low	42.2	Very low	100 Å²	100	76.9 Å²	76.9	54%	0.535	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-44.4	175.5	-67.2	-29.2	0	0	0	111.7	T113 I120 G121	T113-D117 VanDerWaalsContact O-CG 3.31Å; T113-D117 PolarHBondContact O-N 3.49Å; D117-I120 PolarHBondContact O-N 2.93Å; D117-G121 PolarHBondContact O-N 3.35Å
118	A	37	Very low	41.5	Very low	49 Å²	49	75.2 Å²	75.2	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-65.3	-39.9	175.7	0	0	0	0	0	112.1	T114 E116 G121 C122	T114-A118 VanDerWaalsContact O-CB 3.26Å; T114-A118 WeakPolarHBondContact O-CB 3.27Å; T114-A118 PolarHBondContact O-N 3.28Å; E116-A118 PolarHBondContact O-N 2.79Å; A118-G121 PolarHBondContact O-N 2.82Å; A118-C122 WeakPolarHBondContact O-CB 3.2Å; A118-C122 PolarHBondContact O-N 3.44Å; A118-C122 PolarHBondContact O-SG 2.75Å
119	L	35.8	Very low	40.9	Very low	56 Å²	56	79.2 Å²	79.2	29%	0.293	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-39.7	174.4	-85.9	175.2	0	0	0	112.2	L18 I21 C115 E116 G121 C122 S123	L18-L119 HydrophobicContact CD2-CD1 4.24Å; I21-L119 HydrophobicContact CD1-CD1 3.42Å; I21-L119 VanDerWaalsContact CD1-CD1 3.42Å; I21-L119 HydrophobicContact CD1-CD2 3.63Å; I21-L119 HydrophobicContact CD1-CG 3.64Å; C115-L119 WeakPolarHBondContact O-CB 3.02Å; C115-L119 VanDerWaalsContact O-CG 3.24Å; C115-L119 WeakPolarHBondContact O-CG 3.34Å; C115-L119 PolarHBondContact O-N 3.05Å; E116-L119 PolarHBondContact O-N 3.34Å; L119-G121 VanDerWaalsContact C-N 3.32Å; L119-C122 CarbonylContact O-C 3.54Å; L119-C122 PolarHBondContact O-N 3.32Å; L119-S123 VanDerWaalsContact O-CB 3.29Å; L119-S123 WeakPolarHBondContact O-CB 3.05Å; L119-S123 PolarHBondContact O-N 2.92Å
120	I	41.2	Very low	40.4	Very low	118 Å²	118	83.4 Å²	83.4	61%	0.605	52%	0.517	S	S	*	.	H	α-helix	trans	-63.5	-42.1	175	-70.1	163.4	0	0	0	109.6	E116 D117 S123	E116-I120 HydrophobicContact CG-CD1 4.15Å; E116-I120 WeakPolarHBondContact O-CB 3.4Å; E116-I120 WeakPolarHBondContact O-CD1 3.28Å; E116-I120 WeakPolarHBondContact O-CG1 3.43Å; E116-I120 PolarHBondContact O-N 3.25Å; D117-I120 PolarHBondContact O-N 2.93Å; I120-S123 PolarHBondContact O-N 3.32Å
121	G	37.6	Very low	39.8	Very low	59 Å²	59	83.8 Å²	83.8	61%	0.608	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-36.5	174.2	0	0	0	0	0	114.1	D117 A118 L119	D117-G121 PolarHBondContact O-N 3.35Å; A118-G121 PolarHBondContact O-N 2.82Å; L119-G121 VanDerWaalsContact C-N 3.32Å
122	C	34.9	Very low	39.3	Very low	70 Å²	70	89 Å²	89	47%	0.473	54%	0.536	S	S	.	.	H	α-helix	trans	-81.6	-18.9	177	-69.9	0	0	0	0	113.4	A118 L119 G124 K125	A118-C122 WeakPolarHBondContact O-CB 3.2Å; A118-C122 PolarHBondContact O-N 3.44Å; A118-C122 PolarHBondContact O-SG 2.75Å; L119-C122 CarbonylContact O-C 3.54Å; L119-C122 PolarHBondContact O-N 3.32Å; C122-G124 PolarHBondContact O-N 2.92Å; C122-K125 CarbonylContact O-C 3.41Å; C122-K125 PolarHBondContact O-N 3.26Å
123	S	36	Very low	38.4	Very low	109 Å²	109	91.1 Å²	91.1	76%	0.762	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-9.3	179.7	-175.2	0	0	0	0	113.6	L119 I120	L119-S123 VanDerWaalsContact O-CB 3.29Å; L119-S123 WeakPolarHBondContact O-CB 3.05Å; L119-S123 PolarHBondContact O-N 2.92Å; I120-S123 PolarHBondContact O-N 3.32Å
124	G	36.1	Very low	37.9	Very low	74 Å²	74	95.7 Å²	95.7	76%	0.763	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-5.8	170.7	0	0	0	0	0	115.5	C122	C122-G124 PolarHBondContact O-N 2.92Å
125	K	32.8	Very low	37.5	Very low	175 Å²	175	96.3 Å²	96.3	76%	0.761	59%	0.585	S	S	*	*	S	Bend	trans	-133.3	109	178.7	-75.8	-178.2	177.4	178.9	0	108.6	C122 I127	C122-K125 CarbonylContact O-C 3.41Å; C122-K125 PolarHBondContact O-N 3.26Å; K125-I127 PolarHBondContact O-N 3.34Å
126	G	33	Very low	37	Very low	78 Å²	78	99 Å²	99	80%	0.804	61%	0.613	S	S	*	*			trans	-44.7	129.7	177.2	0	0	0	0	0	111.3	P128	G126-P128 WeakPolarHBondContact O-CD 3.36Å
127	I	40.7	Very low	36.7	Very low	122 Å²	122	98.7 Å²	98.7	63%	0.626	63%	0.628	S	S	*	*			trans	-58.6	122.7	176	-58.9	177.3	0	0	0	106.8	K125 D129	K125-I127 PolarHBondContact O-N 3.34Å; I127-D129 PolarHBondContact O-N 3.02Å
128	P	37.5	Very low	36.2	Very low	90 Å²	90	101.6 Å²	101.6	58%	0.584	64%	0.643	S	S	*	*			trans	-63.1	126.7	178	20.9	-26.7	0	0	0	109.5	G126 E130 S131	G126-P128 WeakPolarHBondContact O-CD 3.36Å; P128-E130 PolarHBondContact O-N 2.98Å; P128-S131 PolarHBondContact O-N 3.27Å; P128-S131 PolarHBondContact O-OG 3.17Å
129	D	36.5	Very low	36.3	Very low	134 Å²	134	104.7 Å²	104.7	72%	0.717	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-56.1	-20.1	-179.1	-151.5	14	0	0	0	112.3	I127 S131 Y132	I127-D129 PolarHBondContact O-N 3.02Å; D129-S131 PolarHBondContact O-N 3.15Å; D129-S131 VanDerWaalsContact O-N 3.13Å; D129-Y132 PolarHBondContact O-N 3.2Å; D129-Y132 VanDerWaalsContact O-N 3.12Å
130	E	38.1	Very low	36.5	Very low	175 Å²	175	106.5 Å²	106.5	82%	0.818	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-65.9	-13.1	179.1	-58.1	-167.8	161.2	0	0	114.5	P128 Y132 G133	P128-E130 PolarHBondContact O-N 2.98Å; E130-Y132 PolarHBondContact O-N 2.69Å; E130-G133 PolarHBondContact O-N 3.2Å
131	S	39.3	Very low	36.7	Very low	63 Å²	63	101.6 Å²	101.6	44%	0.441	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-74.6	-10.8	173	50.5	0	0	0	0	113.9	L32 P128 D129	L32-S131 WeakPolarHBondContact CD1-O 3.4Å; P128-S131 PolarHBondContact O-N 3.27Å; P128-S131 PolarHBondContact O-OG 3.17Å; D129-S131 PolarHBondContact O-N 3.15Å; D129-S131 VanDerWaalsContact O-N 3.13Å
132	Y	37	Very low	37	Very low	125 Å²	125	105 Å²	105	49%	0.49	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-89.3	-3.5	172.1	-71.6	-88.9	0	0	0	113.4	L32 D129 E130 N134	L32-Y132 HydrophobicContact CD2-CD1 3.54Å; L32-Y132 HydrophobicContact CD2-CE1 3.65Å; L32-Y132 HydrophobicContact CD2-CG 4.26Å; D129-Y132 PolarHBondContact O-N 3.2Å; D129-Y132 VanDerWaalsContact O-N 3.12Å; E130-Y132 PolarHBondContact O-N 2.69Å; Y132-N134 PolarHBondContact O-N 2.95Å
133	G	29.7	Very low	37.4	Very low	64 Å²	64	101.7 Å²	101.7	66%	0.66	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	8.6	-162.8	0	0	0	0	0	118.4	E130	E130-G133 PolarHBondContact O-N 3.2Å
134	N	36.6	Very low	37.9	Very low	161 Å²	161	98.8 Å²	98.8	86%	0.861	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	16.9	-172.5	-138.9	9.5	0	0	0	117	Y132	Y132-N134 PolarHBondContact O-N 2.95Å
135	T	37.9	Very low	38.5	Very low	99 Å²	99	96.1 Å²	96.1	61%	0.607	57%	0.567	S	S	*	*			trans	-103.4	84	160.8	43.1	0	0	0	0	107.8
136	G	31.6	Very low	39.3	Very low	57 Å²	57	93.5 Å²	93.5	59%	0.588	57%	0.568	S	S	*	*			trans	-51.9	149.7	168.3	0	0	0	0	0	110.4	D138	G136-D138 PolarHBondContact O-N 3.19Å
137	A	35.8	Very low	40.2	Very low	95 Å²	95	97.1 Å²	97.1	79%	0.785	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-0.5	-176.1	0	0	0	0	0	115.4
138	D	34.8	Very low	40.8	Very low	160 Å²	160	91.4 Å²	91.4	86%	0.856	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.9	-169.3	-75.6	-31.5	0	0	0	115.6	G136	G136-D138 PolarHBondContact O-N 3.19Å
139	V	39.9	Very low	41.8	Very low	114 Å²	114	89.4 Å²	89.4	69%	0.691	53%	0.526	S	S	*	.			trans	-122.5	69.4	172.1	-167.1	0	0	0	0	108.7	P141	V139-P141 WeakPolarHBondContact O-CD 3.21Å
140	V	39.1	Very low	42.6	Very low	95 Å²	95	86.3 Å²	86.3	58%	0.576	52%	0.519	S	S	*	.			trans	-73	107.2	159.9	-179.6	0	0	0	0	105.7	L144	V140-L144 HydrophobicContact CG1-CB 3.83Å
141	P	45.5	Very low	43.5	Very low	15 Å²	15	83.4 Å²	83.4	10%	0.097	51%	0.509	C	S	.	.			trans	-63.4	144.3	-178.1	-22.9	39.1	0	0	0	109.9	Y33 F73 V139 I143 L144 S145	Y33-P141 HydrophobicContact CD2-CG 4.09Å; Y33-P141 HydrophobicContact CE2-CB 4.23Å; Y33-P141 HydrophobicContact CE2-CG 3.5Å; Y33-P141 VanDerWaalsContact CE2-CG 3.5Å; F73-P141 HydrophobicContact CE1-CB 3.53Å; F73-P141 HydrophobicContact CE1-CG 4.15Å; F73-P141 HydrophobicContact CE2-CB 4.39Å; F73-P141 HydrophobicContact CE2-CG 4.35Å; F73-P141 HydrophobicContact CZ-CB 3.32Å; F73-P141 HydrophobicContact CZ-CG 3.69Å; V139-P141 WeakPolarHBondContact O-CD 3.21Å; P141-I143 HydrophobicContact CB-CG2 3.52Å; P141-I143 CarbonylContact O-C 3.58Å; P141-I143 PolarHBondContact O-N 3.26Å; P141-L144 PolarHBondContact O-N 3.48Å; P141-S145 PolarHBondContact O-N 2.76Å
142	F	44.8	Very low	44.2	Very low	129 Å²	129	85.8 Å²	85.8	57%	0.566	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-49.7	-37	-174.7	178.1	-102.5	0	0	0	111.6	L144 S145 V148	F142-L144 VanDerWaalsContact C-N 3.33Å; F142-L144 PolarHBondContact O-N 2.9Å; F142-S145 WeakPolarHBondContact O-CB 2.99Å; F142-S145 PolarHBondContact O-N 3.24Å; F142-V148 HydrophobicContact CD1-CG2 4.12Å; F142-V148 HydrophobicContact CE1-CG2 3.87Å; F142-V148 HydrophobicContact CZ-CG2 4.2Å; F142-V148 WeakPolarHBondContact O-CG2 3.29Å
143	I	43.7	Very low	45.1	Very low	2 Å²	2	80.2 Å²	80.2	1%	0.01	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-50.4	-40.8	172.3	176.5	161.3	0	0	0	113.8	Y33 V49 F73 R80 P141 W153	Y33-I143 WeakPolarHBondContact OH-CG2 3.34Å; V49-I143 HydrophobicContact CG2-CD1 4Å; V49-I143 HydrophobicContact CG2-CG1 4.49Å; F73-I143 HydrophobicContact CZ-CG2 4.2Å; R80-I143 VanDerWaalsContact CZ-CD1 3.47Å; P141-I143 HydrophobicContact CB-CG2 3.52Å; P141-I143 CarbonylContact O-C 3.58Å; P141-I143 PolarHBondContact O-N 3.26Å; I143-W153 VanDerWaalsContact C-CZ2 3.45Å; I143-W153 HydrophobicContact CB-CH2 4.37Å; I143-W153 HydrophobicContact CB-CZ2 4.34Å; I143-W153 HydrophobicContact CD1-CH2 3.61Å; I143-W153 HydrophobicContact CD1-CZ2 4.32Å; I143-W153 HydrophobicContact CD1-CZ3 3.78Å; I143-W153 HydrophobicContact CG1-CH2 3.04Å; I143-W153 HydrophobicContact CG1-CZ2 3.3Å; I143-W153 HydrophobicContact CG1-CZ3 3.68Å; I143-W153 WeakPolarHBondContact O-CZ2 3.28Å; I143-W153 PolarHBondContact O-NE1 3.13Å; I143-W153 VanDerWaalsContact O-NE1 3.16Å
144	L	44.7	Very low	46.2	Very low	48 Å²	48	81 Å²	81	25%	0.251	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-85.4	-3.3	171.8	-59.6	-168.8	0	0	0	115	Y33 V37 V140 P141 F142 W153	Y33-L144 HydrophobicContact CD2-CD1 4.07Å; Y33-L144 HydrophobicContact CE2-CD1 3.25Å; Y33-L144 HydrophobicContact CE2-CD2 3.94Å; Y33-L144 HydrophobicContact CE2-CG 3.38Å; Y33-L144 WeakPolarHBondContact OH-CD2 2.96Å; Y33-L144 WeakPolarHBondContact OH-CG 2.99Å; V37-L144 HydrophobicContact CG1-CD2 4.4Å; V37-L144 HydrophobicContact CG2-CD1 3.76Å; V37-L144 HydrophobicContact CG2-CD2 3.46Å; V37-L144 VanDerWaalsContact CG2-CD2 3.46Å; V37-L144 HydrophobicContact CG2-CG 4.23Å; V140-L144 HydrophobicContact CG1-CB 3.83Å; P141-L144 PolarHBondContact O-N 3.48Å; F142-L144 VanDerWaalsContact C-N 3.33Å; F142-L144 PolarHBondContact O-N 2.9Å; L144-W153 HydrophobicContact CD2-CH2 4.11Å; L144-W153 HydrophobicContact CD2-CZ2 3.93Å
145	S	49.1	Very low	46.9	Very low	17 Å²	17	75.9 Å²	75.9	12%	0.119	45%	0.452	C	S	.	.	S	Bend	trans	-53	131.7	176.4	-176.7	0	0	0	0	107.9	P141 F142 E147 V148	P141-S145 PolarHBondContact O-N 2.76Å; F142-S145 WeakPolarHBondContact O-CB 2.99Å; F142-S145 PolarHBondContact O-N 3.24Å; S145-E147 PolarHBondContact O-N 3.27Å; S145-E147 WeakPolarHBondContact OG-CB 3.42Å; S145-E147 WeakPolarHBondContact OG-CG 3.01Å; S145-E147 PolarHBondContact OG-N 2.89Å; S145-E147 PolarHBondContact OG-OE2 3.33Å; S145-V148 WeakPolarHBondContact O-CB 3.48Å; S145-V148 PolarHBondContact O-N 3.08Å
146	P	49.4	Very low	47.5	Very low	121 Å²	121	76.6 Å²	76.6	79%	0.786	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.9	173.7	22.1	-30.7	0	0	0	112.3	V148	P146-V148 VanDerWaalsContact C-N 3.31Å
147	E	53.2	Low	48	Very low	154 Å²	154	76.4 Å²	76.4	72%	0.72	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.1	172.8	-58.2	165.9	159.5	0	0	113.4	S145 A149	S145-E147 PolarHBondContact O-N 3.27Å; S145-E147 WeakPolarHBondContact OG-CB 3.42Å; S145-E147 WeakPolarHBondContact OG-CG 3.01Å; S145-E147 PolarHBondContact OG-N 2.89Å; S145-E147 PolarHBondContact OG-OE2 3.33Å; E147-A149 PolarHBondContact O-N 2.96Å
148	V	53.4	Low	48.3	Very low	2 Å²	2	74.5 Å²	74.5	1%	0.012	42%	0.422	C	S	.	.	S	Bend	trans	-78.7	104.2	175.2	179.2	0	0	0	0	108.8	F142 S145 P146 Q152	F142-V148 HydrophobicContact CD1-CG2 4.12Å; F142-V148 HydrophobicContact CE1-CG2 3.87Å; F142-V148 HydrophobicContact CZ-CG2 4.2Å; F142-V148 WeakPolarHBondContact O-CG2 3.29Å; S145-V148 WeakPolarHBondContact O-CB 3.48Å; S145-V148 PolarHBondContact O-N 3.08Å; P146-V148 VanDerWaalsContact C-N 3.31Å; V148-Q152 HydrophobicContact CG1-CB 3.92Å
149	A	56.8	Low	48.3	Very low	47 Å²	47	74.2 Å²	74.2	39%	0.388	42%	0.419	S	S	.	.			trans	-55.9	143.2	-178.3	0	0	0	0	0	111.5	E147 D151 Q152	E147-A149 PolarHBondContact O-N 2.96Å; A149-D151 VanDerWaalsContact C-OD1 3.27Å; A149-D151 WeakPolarHBondContact CB-OD1 3.37Å; A149-D151 PolarHBondContact O-N 2.82Å; A149-D151 VanDerWaalsContact O-N 3.16Å; A149-Q152 HydrophobicContact CB-CG 4.47Å; A149-Q152 WeakPolarHBondContact O-CB 3.44Å; A149-Q152 PolarHBondContact O-N 3.44Å
150	A	54.4	Low	48.2	Very low	70 Å²	70	77.9 Å²	77.9	58%	0.579	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.2	-172.9	0	0	0	0	0	113.4	Q152 W153	A150-Q152 VanDerWaalsContact C-N 3.34Å; A150-W153 VanDerWaalsContact O-CB 3.32Å; A150-W153 WeakPolarHBondContact O-CB 3.33Å; A150-W153 PolarHBondContact O-N 3.46Å; A150-W153 VanDerWaalsContact O-N 3.17Å
151	D	56.8	Low	48.7	Very low	113 Å²	113	77.1 Å²	77.1	60%	0.604	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-68.4	-30	172.2	65.2	-36.9	0	0	0	112.6	A149 W153 V154	A149-D151 VanDerWaalsContact C-OD1 3.27Å; A149-D151 WeakPolarHBondContact CB-OD1 3.37Å; A149-D151 PolarHBondContact O-N 2.82Å; A149-D151 VanDerWaalsContact O-N 3.16Å; D151-W153 PolarHBondContact O-N 3.4Å; D151-V154 WeakPolarHBondContact O-CB 3.08Å; D151-V154 WeakPolarHBondContact O-CG2 3.36Å; D151-V154 PolarHBondContact O-N 3.27Å
152	Q	53.2	Low	48.8	Very low	114 Å²	114	80.3 Å²	80.3	53%	0.533	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-71	-9.6	171.8	-57.4	-167.6	-18.3	0	0	113	R80 V148 A149 A150	R80-Q152 PolarHBondContact NH2-O 3.12Å; V148-Q152 HydrophobicContact CG1-CB 3.92Å; A149-Q152 HydrophobicContact CB-CG 4.47Å; A149-Q152 WeakPolarHBondContact O-CB 3.44Å; A149-Q152 PolarHBondContact O-N 3.44Å; A150-Q152 VanDerWaalsContact C-N 3.34Å
153	W	56.4	Low	49.1	Very low	7 Å²	7	77.6 Å²	77.6	3%	0.027	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-105.2	6.2	178.9	-75.7	109.9	0	0	0	114	R45 A48 V49 I143 L144 A150 D151 R155	R45-W153 HydrophobicContact CB-CD2 4.08Å; R45-W153 HydrophobicContact CB-CE3 3.92Å; R45-W153 HydrophobicContact CB-CH2 3.93Å; R45-W153 HydrophobicContact CB-CZ2 4.14Å; R45-W153 HydrophobicContact CB-CZ3 3.91Å; R45-W153 HydrophobicContact CG-CB 3.97Å; R45-W153 HydrophobicContact CG-CD2 3.66Å; R45-W153 HydrophobicContact CG-CE3 3.98Å; R45-W153 HydrophobicContact CG-CG 3.74Å; R45-W153 HydrophobicContact CG-CH2 4.43Å; R45-W153 HydrophobicContact CG-CZ2 4.2Å; R45-W153 HydrophobicContact CG-CZ3 4.41Å; R45-W153 WeakPolarHBondContact O-CZ3 3.42Å; A48-W153 HydrophobicContact CB-CE3 3.69Å; A48-W153 HydrophobicContact CB-CZ3 3.96Å; V49-W153 HydrophobicContact CG2-CH2 3.45Å; V49-W153 VanDerWaalsContact CG2-CH2 3.45Å; V49-W153 HydrophobicContact CG2-CZ3 3.5Å; I143-W153 VanDerWaalsContact C-CZ2 3.45Å; I143-W153 HydrophobicContact CB-CH2 4.37Å; I143-W153 HydrophobicContact CB-CZ2 4.34Å; I143-W153 HydrophobicContact CD1-CH2 3.61Å; I143-W153 HydrophobicContact CD1-CZ2 4.32Å; I143-W153 HydrophobicContact CD1-CZ3 3.78Å; I143-W153 HydrophobicContact CG1-CH2 3.04Å; I143-W153 HydrophobicContact CG1-CZ2 3.3Å; I143-W153 HydrophobicContact CG1-CZ3 3.68Å; I143-W153 WeakPolarHBondContact O-CZ2 3.28Å; I143-W153 PolarHBondContact O-NE1 3.13Å; I143-W153 VanDerWaalsContact O-NE1 3.16Å; L144-W153 HydrophobicContact CD2-CH2 4.11Å; L144-W153 HydrophobicContact CD2-CZ2 3.93Å; A150-W153 VanDerWaalsContact O-CB 3.32Å; A150-W153 WeakPolarHBondContact O-CB 3.33Å; A150-W153 PolarHBondContact O-N 3.46Å; A150-W153 VanDerWaalsContact O-N 3.17Å; D151-W153 PolarHBondContact O-N 3.4Å; W153-R155 PolarHBondContact O-N 3.2Å
154	V	52.2	Low	49.4	Very low	80 Å²	80	82.1 Å²	82.1	49%	0.485	48%	0.476	S	S	.	.	S	Bend	trans	-65.9	128.8	171.2	177.3	0	0	0	0	108.1	D151 R156	D151-V154 WeakPolarHBondContact O-CB 3.08Å; D151-V154 WeakPolarHBondContact O-CG2 3.36Å; D151-V154 PolarHBondContact O-N 3.27Å; V154-R156 PolarHBondContact O-N 2.89Å; V154-R156 VanDerWaalsContact O-N 3.08Å
155	R	52.1	Low	49.7	Very low	54 Å²	54	84.2 Å²	84.2	20%	0.204	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-56.2	122.1	171.1	-55.2	179.7	72.3	-160.3	2.8	107.4	M8 E44 W153 G157 S158	M8-R155 VanDerWaalsContact CE-NH1 3.27Å; E44-R155 WeakPolarHBondContact OE2-CD 3.34Å; E44-R155 WeakPolarHBondContact OE2-CG 3.44Å; W153-R155 PolarHBondContact O-N 3.2Å; R155-G157 PolarHBondContact O-N 3.26Å; R155-G157 VanDerWaalsContact O-N 3.16Å; R155-S158 WeakPolarHBondContact CB-OG 3.44Å; R155-S158 WeakPolarHBondContact O-CB 3.49Å; R155-S158 PolarHBondContact O-N 3.26Å; R155-S158 PolarHBondContact O-OG 3.31Å
156	R	51.4	Low	49.7	Very low	115 Å²	115	88.7 Å²	88.7	43%	0.434	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	120.9	177.3	-67.8	-174.7	177.3	-168	1.4	107.8	V154	V154-R156 PolarHBondContact O-N 2.89Å; V154-R156 VanDerWaalsContact O-N 3.08Å
157	G	42	Very low	49.7	Very low	52 Å²	52	86.4 Å²	86.4	54%	0.536	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	-5.7	-171	0	0	0	0	0	115.2	R155 I159	R155-G157 PolarHBondContact O-N 3.26Å; R155-G157 VanDerWaalsContact O-N 3.16Å; G157-I159 PolarHBondContact O-N 3.03Å
158	S	41	Very low	49.5	Very low	56 Å²	56	81.2 Å²	81.2	39%	0.392	48%	0.479	S	S	.	.			trans	-66.7	112.5	160.2	-67.1	0	0	0	0	108.5	R155	R155-S158 WeakPolarHBondContact CB-OG 3.44Å; R155-S158 WeakPolarHBondContact O-CB 3.49Å; R155-S158 PolarHBondContact O-N 3.26Å; R155-S158 PolarHBondContact O-OG 3.31Å
159	I	35.1	Very low	49.1	Very low	153 Å²	153	87.8 Å²	87.8	79%	0.785	52%	0.518	S	S	*	.			trans	-64.6	136.3	163.9	-54.1	173.1	0	0	0	106.3	G157	G157-I159 PolarHBondContact O-N 3.03Å
160	P	38.3	Very low	48.4	Very low	192 Å²	192	91.5 Å²	91.5	100%	1.247	53%	0.529	S	S	*	.			trans	-54.9	0	173.4	21.9	-31.9	0	0	0	112.8

Retrieved 160 of 160 residues in 636.3 ms (Link to these results)

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