A0A5K4F6Q9_SCHMA Loading...

DUF996 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6Q9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 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	34.3	Very low	41.2	Very low	220 Å²	220	126.3 Å²	126.3	100%	1.084	62%	0.621	S	S	*	*				0	65.2	0	-166.5	179.2	-161.2	0	0	108.3
2	F	31.1	Very low	41.7	Very low	174 Å²	174	122.8 Å²	122.8	76%	0.763	60%	0.602	S	S	*	*			trans	-128.9	7.7	-167.4	-88.7	-71.7	0	0	0	114.4
3	W	36.3	Very low	41.9	Very low	171 Å²	171	116.2 Å²	116.2	65%	0.648	57%	0.567	S	S	*	*			trans	-140.4	71.9	-172.5	-66	71.5	0	0	0	108.6	T5 G72	W3-T5 PolarHBondContact O-N 3.37Å; W3-G72 VanDerWaalsContact CZ3-CA 3.45Å
4	N	36	Very low	42.1	Very low	131 Å²	131	116.6 Å²	116.6	70%	0.701	57%	0.572	S	S	*	*			trans	-86.9	104.9	164.7	-80.5	-4.2	0	0	0	106.7	C6	N4-C6 PolarHBondContact O-N 3.44Å
5	T	42.5	Very low	42.6	Very low	86 Å²	86	121.5 Å²	121.5	53%	0.528	58%	0.582	S	S	.	*			trans	-53.7	103.7	170.5	34.9	0	0	0	0	109.8	W3 Y7 E75	W3-T5 PolarHBondContact O-N 3.37Å; T5-Y7 PolarHBondContact O-N 2.97Å; T5-E75 HydrophobicContact CG2-CG 4.25Å
6	C	48.2	Very low	43.4	Very low	24 Å²	24	114.6 Å²	114.6	16%	0.162	55%	0.55	C	S	.	.			trans	-73.6	63	177.9	-84.7	0	0	0	0	111.5	N4 Y13 C16	N4-C6 PolarHBondContact O-N 3.44Å; C6-Y13 WeakPolarHBondContact O-CE2 3.38Å; C6-C16 HydrophobicContact CB-CB 3.99Å; C6-C16 WeakPolarHBondContact CB-SG 3.12Å; C6-C16 WeakPolarHBondContact SG-CB 3.48Å; C6-C16 CovalentContact SG-SG 2.06Å; C6-C16 PolarHBondContact SG-SG 3.05Å
7	Y	47.2	Very low	44.4	Very low	50 Å²	50	115.9 Å²	115.9	20%	0.196	55%	0.548	C	S	.	.			trans	-150.2	72.2	171	-86.6	-82.7	0	0	0	111.2	T5 Y13 T192 K195	T5-Y7 PolarHBondContact O-N 2.97Å; Y7-Y13 HydrophobicContact CD1-CD2 4.38Å; Y7-Y13 AromaticContact CD1-CE2 3.79Å; Y7-Y13 HydrophobicContact CD1-CE2 3.79Å; Y7-Y13 HydrophobicContact CD2-CE2 4.11Å; Y7-Y13 HydrophobicContact CE1-CD2 4.25Å; Y7-Y13 AromaticContact CE1-CE2 3.35Å; Y7-Y13 HydrophobicContact CE1-CE2 3.35Å; Y7-Y13 AromaticContact CE2-CE2 3.67Å; Y7-Y13 HydrophobicContact CE2-CE2 3.67Å; Y7-Y13 HydrophobicContact CG-CE2 4.18Å; Y7-Y13 AromaticContact CZ-CE2 3.31Å; Y7-Y13 AromaticContact CZ-CZ 3.65Å; Y7-Y13 PolarHBondContact OH-OH 2.93Å; Y7-T192 HydrophobicContact CE2-CG2 4.4Å; Y7-T192 WeakPolarHBondContact OH-CA 3.34Å; Y7-T192 WeakPolarHBondContact OH-CG2 3.49Å; Y7-T192 PolarHBondContact OH-O 3.16Å; Y7-K195 HydrophobicContact CE1-CB 4.1Å
8	S	43.6	Very low	45.6	Very low	99 Å²	99	117.6 Å²	117.6	69%	0.692	56%	0.556	S	S	*	*	S	Bend	trans	-137.1	-22.7	158.8	-163.5	0	0	0	0	114.3	E12	S8-E12 PolarHBondContact N-OE2 3.22Å
9	N	43.9	Very low	46.9	Very low	118 Å²	118	114.2 Å²	114.2	63%	0.631	54%	0.541	S	S	*	.			trans	-143.7	150.9	175.4	-100.4	-39.6	0	0	0	115.3	E11 E12 Y13	N9-E11 PolarHBondContact O-N 2.71Å; N9-E11 VanDerWaalsContact O-N 3.08Å; N9-E12 PolarHBondContact N-OE2 3.46Å; N9-E12 PolarHBondContact O-N 3.37Å; N9-Y13 PolarHBondContact O-N 3.43Å
10	K	46.7	Very low	48.4	Very low	153 Å²	153	112.9 Å²	112.9	67%	0.665	54%	0.543	S	S	*	.	H	α-helix	trans	-49.8	-34.3	176	-98.4	176.7	179.8	163	0	113.1	N200	K10-N200 WeakPolarHBondContact CE-OD1 3.47Å; K10-N200 PolarHBondContact NZ-OD1 3.38Å; K10-N200 VanDerWaalsContact NZ-OD1 3.17Å
11	E	44.1	Very low	49.6	Very low	163 Å²	163	110.6 Å²	110.6	76%	0.762	53%	0.533	S	S	*	.	H	α-helix	trans	-74.4	-32.8	179.7	-66.6	-174.3	162.7	0	0	113.4	N9 Y13 L14 R15	N9-E11 PolarHBondContact O-N 2.71Å; N9-E11 VanDerWaalsContact O-N 3.08Å; E11-Y13 VanDerWaalsContact C-N 3.29Å; E11-Y13 PolarHBondContact O-N 2.87Å; E11-L14 PolarHBondContact O-N 2.87Å; E11-R15 PolarHBondContact O-N 3.2Å
12	E	46.3	Very low	51.5	Low	85 Å²	85	101.2 Å²	101.2	40%	0.397	49%	0.486	S	S	.	.	H	α-helix	trans	-70	-29.6	176.4	-72.7	179	146.4	0	0	111.9	S8 N9 R15 C16	S8-E12 PolarHBondContact N-OE2 3.22Å; N9-E12 PolarHBondContact N-OE2 3.46Å; N9-E12 PolarHBondContact O-N 3.37Å; E12-R15 PolarHBondContact O-N 3.27Å; E12-C16 PolarHBondContact O-N 3.41Å; E12-C16 VanDerWaalsContact O-N 3.11Å
13	Y	44.3	Very low	53.6	Low	36 Å²	36	96.5 Å²	96.5	14%	0.141	47%	0.468	C	S	.	.	H	α-helix	trans	-66.9	-38.8	178.4	-134.2	-85	0	0	0	112.8	C6 Y7 N9 E11 R15 C16 W17 T192	C6-Y13 WeakPolarHBondContact O-CE2 3.38Å; Y7-Y13 HydrophobicContact CD1-CD2 4.38Å; Y7-Y13 AromaticContact CD1-CE2 3.79Å; Y7-Y13 HydrophobicContact CD1-CE2 3.79Å; Y7-Y13 HydrophobicContact CD2-CE2 4.11Å; Y7-Y13 HydrophobicContact CE1-CD2 4.25Å; Y7-Y13 AromaticContact CE1-CE2 3.35Å; Y7-Y13 HydrophobicContact CE1-CE2 3.35Å; Y7-Y13 AromaticContact CE2-CE2 3.67Å; Y7-Y13 HydrophobicContact CE2-CE2 3.67Å; Y7-Y13 HydrophobicContact CG-CE2 4.18Å; Y7-Y13 AromaticContact CZ-CE2 3.31Å; Y7-Y13 AromaticContact CZ-CZ 3.65Å; Y7-Y13 PolarHBondContact OH-OH 2.93Å; N9-Y13 PolarHBondContact O-N 3.43Å; E11-Y13 VanDerWaalsContact C-N 3.29Å; E11-Y13 PolarHBondContact O-N 2.87Å; Y13-R15 VanDerWaalsContact C-N 3.35Å; Y13-C16 PolarHBondContact O-N 3.05Å; Y13-W17 VanDerWaalsContact O-CD1 3.32Å; Y13-T192 WeakPolarHBondContact OH-CG2 3.26Å
14	L	45.5	Very low	55.7	Low	122 Å²	122	91.6 Å²	91.6	64%	0.639	46%	0.457	S	S	*	.	H	α-helix	trans	-65.5	-39.5	175.8	-96.6	149.2	0	0	0	111.2	E11 C16 W17	E11-L14 PolarHBondContact O-N 2.87Å; L14-C16 VanDerWaalsContact C-N 3.28Å; L14-C16 PolarHBondContact O-N 2.72Å; L14-W17 PolarHBondContact O-N 2.95Å
15	R	49.1	Very low	57.7	Low	191 Å²	191	85.3 Å²	85.3	72%	0.721	42%	0.423	S	S	*	.	H	α-helix	trans	-61.4	-35.3	173.5	-81	-175.8	177.3	174.9	1.4	113.1	E11 E12 Y13 W17 E18 D19	E11-R15 PolarHBondContact O-N 3.2Å; E12-R15 PolarHBondContact O-N 3.27Å; Y13-R15 VanDerWaalsContact C-N 3.35Å; R15-W17 VanDerWaalsContact C-N 3.26Å; R15-W17 PolarHBondContact O-N 3.21Å; R15-E18 PolarHBondContact O-N 3.42Å; R15-E18 VanDerWaalsContact O-N 3.14Å; R15-D19 PolarHBondContact O-N 3.05Å
16	C	55.7	Low	59.4	Low	10 Å²	10	85.7 Å²	85.7	7%	0.068	42%	0.418	C	S	.	.	H	α-helix	trans	-66.4	-25.2	179.7	-118.3	0	0	0	0	113.1	C6 E12 Y13 L14 F22	C6-C16 HydrophobicContact CB-CB 3.99Å; C6-C16 WeakPolarHBondContact CB-SG 3.12Å; C6-C16 WeakPolarHBondContact SG-CB 3.48Å; C6-C16 CovalentContact SG-SG 2.06Å; C6-C16 PolarHBondContact SG-SG 3.05Å; E12-C16 PolarHBondContact O-N 3.41Å; E12-C16 VanDerWaalsContact O-N 3.11Å; Y13-C16 PolarHBondContact O-N 3.05Å; L14-C16 VanDerWaalsContact C-N 3.28Å; L14-C16 PolarHBondContact O-N 2.72Å; C16-F22 WeakPolarHBondContact O-CB 3.35Å; C16-F22 WeakPolarHBondContact O-CG 3.22Å
17	W	60.2	Low	61.1	Low	138 Å²	138	88.7 Å²	88.7	52%	0.523	43%	0.431	S	S	.	.	H	α-helix	trans	-78.1	-25.4	173.5	-78.1	71.7	0	0	0	113.2	Y13 L14 R15 D19 F22 I23	Y13-W17 VanDerWaalsContact O-CD1 3.32Å; L14-W17 PolarHBondContact O-N 2.95Å; R15-W17 VanDerWaalsContact C-N 3.26Å; R15-W17 PolarHBondContact O-N 3.21Å; W17-D19 VanDerWaalsContact C-N 3.34Å; W17-F22 HydrophobicContact CD2-CE1 4.04Å; W17-F22 HydrophobicContact CE3-CE1 4.02Å; W17-F22 HydrophobicContact CG-CE1 4.46Å; W17-F22 HydrophobicContact CZ3-CE1 4.35Å; W17-I23 WeakPolarHBondContact O-CD1 3.4Å; W17-I23 VanDerWaalsContact O-CG1 3.29Å; W17-I23 WeakPolarHBondContact O-CG1 3.27Å
18	E	66.5	Low	62.8	Low	146 Å²	146	87.9 Å²	87.9	68%	0.682	43%	0.43	S	S	*	.	H	α-helix	trans	-85.6	-11.9	174.4	-65.6	-179.5	167.7	0	0	112	R15 P20	R15-E18 PolarHBondContact O-N 3.42Å; R15-E18 VanDerWaalsContact O-N 3.14Å; E18-P20 WeakPolarHBondContact O-CD 3.23Å
19	D	68.9	Low	64.6	Low	52 Å²	52	83.5 Å²	83.5	28%	0.278	40%	0.399	S	S	.	.			trans	-62.7	119.4	178.1	-166.2	-43.9	0	0	0	109.4	R15 W17 I21 F22 I23	R15-D19 PolarHBondContact O-N 3.05Å; W17-D19 VanDerWaalsContact C-N 3.34Å; D19-I21 PolarHBondContact O-N 2.78Å; D19-I21 VanDerWaalsContact O-N 3.12Å; D19-I21 WeakPolarHBondContact OD1-CB 3.4Å; D19-I21 PolarHBondContact OD1-N 3.47Å; D19-F22 HydrophobicContact CB-CB 4.21Å; D19-F22 WeakPolarHBondContact O-CB 3.4Å; D19-F22 PolarHBondContact O-N 3.38Å; D19-I23 PolarHBondContact O-N 2.83Å
20	P	76.9	Confident	66.4	Low	88 Å²	88	80 Å²	80	57%	0.571	38%	0.384	S	S	*	.	H	α-helix	trans	-59.3	-27.1	-178.6	22.9	-32.9	0	0	0	112.3	E18 T24	E18-P20 WeakPolarHBondContact O-CD 3.23Å; P20-T24 WeakPolarHBondContact O-CB 3.3Å; P20-T24 PolarHBondContact O-N 2.95Å; P20-T24 PolarHBondContact O-OG1 3.14Å
21	I	73.4	Confident	68.2	Low	66 Å²	66	76.4 Å²	76.4	34%	0.338	37%	0.371	S	S	.	.	H	α-helix	trans	-69	-43	176	-59.9	174.2	0	0	0	110.1	D19 T24 S25 L69 F73	D19-I21 PolarHBondContact O-N 2.78Å; D19-I21 VanDerWaalsContact O-N 3.12Å; D19-I21 WeakPolarHBondContact OD1-CB 3.4Å; D19-I21 PolarHBondContact OD1-N 3.47Å; I21-T24 PolarHBondContact O-N 3.44Å; I21-S25 WeakPolarHBondContact O-CB 3.4Å; I21-S25 PolarHBondContact O-N 3.15Å; I21-L69 HydrophobicContact CG2-CD2 4.26Å; I21-F73 HydrophobicContact CB-CE2 4.44Å; I21-F73 HydrophobicContact CB-CZ 3.93Å; I21-F73 HydrophobicContact CG2-CE2 3.86Å; I21-F73 HydrophobicContact CG2-CZ 3.79Å
22	F	74.4	Confident	69.8	Low	22 Å²	22	68.6 Å²	68.6	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-49.5	176.3	-179.4	-94.2	0	0	0	110.8	C16 W17 D19 T24 S25 F26 F70 F73	C16-F22 WeakPolarHBondContact O-CB 3.35Å; C16-F22 WeakPolarHBondContact O-CG 3.22Å; W17-F22 HydrophobicContact CD2-CE1 4.04Å; W17-F22 HydrophobicContact CE3-CE1 4.02Å; W17-F22 HydrophobicContact CG-CE1 4.46Å; W17-F22 HydrophobicContact CZ3-CE1 4.35Å; D19-F22 HydrophobicContact CB-CB 4.21Å; D19-F22 WeakPolarHBondContact O-CB 3.4Å; D19-F22 PolarHBondContact O-N 3.38Å; F22-T24 VanDerWaalsContact C-N 3.31Å; F22-T24 PolarHBondContact O-N 2.97Å; F22-S25 PolarHBondContact O-N 3.45Å; F22-S25 PolarHBondContact O-OG 2.93Å; F22-F26 WeakPolarHBondContact O-CB 3.29Å; F22-F26 PolarHBondContact O-N 3.28Å; F22-F70 HydrophobicContact CD2-CD2 4.37Å; F22-F70 HydrophobicContact CD2-CE2 4.06Å; F22-F70 AromaticContact CE2-CD2 3.98Å; F22-F70 HydrophobicContact CE2-CD2 3.98Å; F22-F70 AromaticContact CE2-CE2 3.25Å; F22-F70 HydrophobicContact CE2-CE2 3.25Å; F22-F70 AromaticContact CE2-CZ 3.75Å; F22-F70 HydrophobicContact CE2-CZ 3.75Å; F22-F70 AromaticContact CZ-CE2 3.7Å; F22-F70 HydrophobicContact CZ-CE2 3.7Å; F22-F70 HydrophobicContact CZ-CZ 4.22Å; F22-F73 HydrophobicContact CB-CE1 4.38Å; F22-F73 HydrophobicContact CB-CE2 4.1Å; F22-F73 HydrophobicContact CB-CZ 3.92Å; F22-F73 HydrophobicContact CD2-CD2 4.22Å; F22-F73 HydrophobicContact CD2-CE2 4.42Å; F22-F73 HydrophobicContact CD2-CG 4.42Å
23	I	76.7	Confident	71.3	Confident	75 Å²	75	67.2 Å²	67.2	39%	0.385	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-45.9	178	-63.6	173	0	0	0	110.5	W17 D19 S25 F26 I27	W17-I23 WeakPolarHBondContact O-CD1 3.4Å; W17-I23 VanDerWaalsContact O-CG1 3.29Å; W17-I23 WeakPolarHBondContact O-CG1 3.27Å; D19-I23 PolarHBondContact O-N 2.83Å; I23-S25 PolarHBondContact O-N 2.95Å; I23-F26 PolarHBondContact O-N 2.79Å; I23-I27 HydrophobicContact CG2-CD1 3.73Å; I23-I27 HydrophobicContact CG2-CG1 4.4Å; I23-I27 VanDerWaalsContact O-CG1 3.3Å; I23-I27 WeakPolarHBondContact O-CG1 3.36Å; I23-I27 PolarHBondContact O-N 3.25Å
24	T	80.2	Confident	73.1	Confident	68 Å²	68	70 Å²	70	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-44.4	178.1	-58.8	0	0	0	0	111.3	P20 I21 F22 F26 I27 L28	P20-T24 WeakPolarHBondContact O-CB 3.3Å; P20-T24 PolarHBondContact O-N 2.95Å; P20-T24 PolarHBondContact O-OG1 3.14Å; I21-T24 PolarHBondContact O-N 3.44Å; F22-T24 VanDerWaalsContact C-N 3.31Å; F22-T24 PolarHBondContact O-N 2.97Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.45Å; T24-I27 PolarHBondContact O-N 3.23Å; T24-L28 HydrophobicContact CG2-CD1 3.94Å; T24-L28 HydrophobicContact CG2-CG 4.34Å; T24-L28 WeakPolarHBondContact O-CB 3.31Å; T24-L28 VanDerWaalsContact O-CG 3.25Å; T24-L28 WeakPolarHBondContact O-CG 3.06Å; T24-L28 PolarHBondContact O-N 2.86Å
25	S	76.9	Confident	74.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-44	177.4	77.4	0	0	0	0	111.6	I21 F22 I23 L28 M29 F70	I21-S25 WeakPolarHBondContact O-CB 3.4Å; I21-S25 PolarHBondContact O-N 3.15Å; F22-S25 PolarHBondContact O-N 3.45Å; F22-S25 PolarHBondContact O-OG 2.93Å; I23-S25 PolarHBondContact O-N 2.95Å; S25-L28 PolarHBondContact O-N 3.26Å; S25-M29 WeakPolarHBondContact O-CB 3.38Å; S25-M29 VanDerWaalsContact O-CG 3.22Å; S25-M29 WeakPolarHBondContact O-CG 3.33Å; S25-M29 PolarHBondContact O-N 3.17Å; S25-F70 WeakPolarHBondContact OG-CD2 3.41Å
26	F	79.2	Confident	76.1	Confident	94 Å²	94	59.3 Å²	59.3	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-65.9	-42.7	179.7	-170.1	-94.6	0	0	0	112.1	F22 I23 T24 M29 S30	F22-F26 WeakPolarHBondContact O-CB 3.29Å; F22-F26 PolarHBondContact O-N 3.28Å; I23-F26 PolarHBondContact O-N 2.79Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.45Å; F26-M29 HydrophobicContact CD2-CE 4.48Å; F26-S30 VanDerWaalsContact O-CB 3.31Å; F26-S30 WeakPolarHBondContact O-CB 3.29Å; F26-S30 PolarHBondContact O-N 3.4Å; F26-S30 PolarHBondContact O-OG 3.42Å
27	I	84.2	Confident	77.1	Confident	87 Å²	87	61.8 Å²	61.8	45%	0.446	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-47.1	176	-69.2	169.2	0	0	0	110.5	I23 T24 M29 S30 L31	I23-I27 HydrophobicContact CG2-CD1 3.73Å; I23-I27 HydrophobicContact CG2-CG1 4.4Å; I23-I27 VanDerWaalsContact O-CG1 3.3Å; I23-I27 WeakPolarHBondContact O-CG1 3.36Å; I23-I27 PolarHBondContact O-N 3.25Å; T24-I27 PolarHBondContact O-N 3.23Å; I27-M29 PolarHBondContact O-N 2.91Å; I27-S30 PolarHBondContact O-N 3.41Å; I27-L31 HydrophobicContact CG2-CD1 3.88Å; I27-L31 HydrophobicContact CG2-CG 4.36Å; I27-L31 WeakPolarHBondContact O-CB 3.46Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 2.87Å
28	L	82.4	Confident	78	Confident	32 Å²	32	58.3 Å²	58.3	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-47.8	179	-74.3	171.1	0	0	0	111.5	T24 S25 L31 A32 L62 I65 L69	T24-L28 HydrophobicContact CG2-CD1 3.94Å; T24-L28 HydrophobicContact CG2-CG 4.34Å; T24-L28 WeakPolarHBondContact O-CB 3.31Å; T24-L28 VanDerWaalsContact O-CG 3.25Å; T24-L28 WeakPolarHBondContact O-CG 3.06Å; T24-L28 PolarHBondContact O-N 2.86Å; S25-L28 PolarHBondContact O-N 3.26Å; L28-L31 PolarHBondContact O-N 2.81Å; L28-A32 VanDerWaalsContact O-CB 3.26Å; L28-A32 WeakPolarHBondContact O-CB 3.5Å; L28-A32 PolarHBondContact O-N 3.39Å; L28-L62 HydrophobicContact CD2-CD2 3.52Å; L28-I65 HydrophobicContact CD1-CG2 3.83Å; L28-L69 HydrophobicContact CD1-CD1 4.04Å
29	M	80.9	Confident	78.4	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-44.4	177	-72.3	163.4	21.4	0	0	112	S25 F26 I27 A32 F33 F70 L185	S25-M29 WeakPolarHBondContact O-CB 3.38Å; S25-M29 VanDerWaalsContact O-CG 3.22Å; S25-M29 WeakPolarHBondContact O-CG 3.33Å; S25-M29 PolarHBondContact O-N 3.17Å; F26-M29 HydrophobicContact CD2-CE 4.48Å; I27-M29 PolarHBondContact O-N 2.91Å; M29-A32 PolarHBondContact O-N 3.26Å; M29-F33 VanDerWaalsContact O-CB 3.28Å; M29-F33 WeakPolarHBondContact O-CB 3.29Å; M29-F33 PolarHBondContact O-N 3.34Å; M29-F70 HydrophobicContact CE-CD2 3.82Å; M29-F70 HydrophobicContact CE-CE2 4.16Å; M29-F70 HydrophobicContact CE-CG 4.16Å; M29-F70 HydrophobicContact SD-CB 3.55Å; M29-F70 VanDerWaalsContact SD-CB 3.55Å; M29-F70 HydrophobicContact SD-CD2 3.74Å; M29-F70 HydrophobicContact SD-CG 3.75Å; M29-L185 HydrophobicContact CE-CD1 3.42Å; M29-L185 VanDerWaalsContact CE-CD1 3.42Å; M29-L185 HydrophobicContact CE-CD2 3.53Å; M29-L185 HydrophobicContact CE-CG 3.89Å; M29-L185 HydrophobicContact CG-CD1 4.02Å; M29-L185 HydrophobicContact SD-CD1 3.36Å; M29-L185 WeakPolarHBondContact SD-CD1 3.23Å; M29-L185 HydrophobicContact SD-CD2 4.49Å; M29-L185 HydrophobicContact SD-CG 4.45Å
30	S	80.9	Confident	78.4	Confident	44 Å²	44	51.9 Å²	51.9	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-44.9	-179.3	-59.5	0	0	0	0	111.7	F26 I27 F33 I34	F26-S30 VanDerWaalsContact O-CB 3.31Å; F26-S30 WeakPolarHBondContact O-CB 3.29Å; F26-S30 PolarHBondContact O-N 3.4Å; F26-S30 PolarHBondContact O-OG 3.42Å; I27-S30 PolarHBondContact O-N 3.41Å; S30-F33 PolarHBondContact O-N 2.84Å; S30-I34 VanDerWaalsContact O-CG1 3.3Å; S30-I34 WeakPolarHBondContact O-CG1 3.25Å; S30-I34 PolarHBondContact O-N 3.33Å
31	L	86.2	Confident	78.1	Confident	77 Å²	77	54.7 Å²	54.7	40%	0.403	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-45.6	175.7	-74.7	174	0	0	0	111.4	I27 L28 F33 I34 F35	I27-L31 HydrophobicContact CG2-CD1 3.88Å; I27-L31 HydrophobicContact CG2-CG 4.36Å; I27-L31 WeakPolarHBondContact O-CB 3.46Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 2.87Å; L28-L31 PolarHBondContact O-N 2.81Å; L31-F33 VanDerWaalsContact C-N 3.27Å; L31-F33 PolarHBondContact O-N 3.29Å; L31-I34 PolarHBondContact O-N 3.42Å; L31-F35 HydrophobicContact CB-CE2 4.44Å; L31-F35 WeakPolarHBondContact O-CB 3.19Å; L31-F35 WeakPolarHBondContact O-CD2 3.28Å; L31-F35 WeakPolarHBondContact O-CG 3.4Å; L31-F35 PolarHBondContact O-N 3.4Å
32	A	77.7	Confident	78.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-35.2	178.5	0	0	0	0	0	111.9	L28 M29 G36 T59 L62 L63	L28-A32 VanDerWaalsContact O-CB 3.26Å; L28-A32 WeakPolarHBondContact O-CB 3.5Å; L28-A32 PolarHBondContact O-N 3.39Å; M29-A32 PolarHBondContact O-N 3.26Å; A32-G36 PolarHBondContact O-N 2.92Å; A32-T59 HydrophobicContact CB-CG2 4.49Å; A32-T59 WeakPolarHBondContact O-CG2 3.31Å; A32-L62 HydrophobicContact CB-CB 3.86Å; A32-L63 HydrophobicContact CB-CB 3.68Å; A32-L63 HydrophobicContact CB-CD1 4.06Å; A32-L63 HydrophobicContact CB-CG 4.46Å
33	F	77.5	Confident	77.9	Confident	56 Å²	56	58.9 Å²	58.9	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-48.5	174	-179.5	-105	0	0	0	111.8	M29 S30 L31 F35 G36 L37 W143 Y178 L182	M29-F33 VanDerWaalsContact O-CB 3.28Å; M29-F33 WeakPolarHBondContact O-CB 3.29Å; M29-F33 PolarHBondContact O-N 3.34Å; S30-F33 PolarHBondContact O-N 2.84Å; L31-F33 VanDerWaalsContact C-N 3.27Å; L31-F33 PolarHBondContact O-N 3.29Å; F33-F35 PolarHBondContact O-N 3.1Å; F33-G36 PolarHBondContact O-N 2.87Å; F33-L37 HydrophobicContact CD1-CD1 4.06Å; F33-L37 HydrophobicContact CE1-CD1 3.47Å; F33-L37 VanDerWaalsContact CE1-CD1 3.47Å; F33-L37 HydrophobicContact CE1-CG 4.31Å; F33-L37 HydrophobicContact CE2-CD1 4.39Å; F33-L37 HydrophobicContact CE2-CG 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.67Å; F33-L37 HydrophobicContact CZ-CG 4.21Å; F33-L37 WeakPolarHBondContact O-CG 3.38Å; F33-L37 PolarHBondContact O-N 2.96Å; F33-W143 HydrophobicContact CZ-CZ3 4.31Å; F33-Y178 VanDerWaalsContact CA-OH 3.23Å; F33-Y178 WeakPolarHBondContact CA-OH 3.41Å; F33-Y178 WeakPolarHBondContact CD2-OH 3.28Å; F33-Y178 PolarHBondContact O-OH 3.23Å; F33-L182 HydrophobicContact CD2-CD1 3.76Å; F33-L182 HydrophobicContact CD2-CD2 3.58Å; F33-L182 HydrophobicContact CD2-CG 3.99Å; F33-L182 HydrophobicContact CE2-CD1 3.73Å; F33-L182 HydrophobicContact CE2-CD2 3.47Å; F33-L182 VanDerWaalsContact CE2-CD2 3.47Å; F33-L182 HydrophobicContact CE2-CG 4.12Å
34	I	81.9	Confident	77.6	Confident	95 Å²	95	63.4 Å²	63.4	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-47.3	177.7	-66.8	165.1	0	0	0	110.2	S30 L31 G36 L37 V38	S30-I34 VanDerWaalsContact O-CG1 3.3Å; S30-I34 WeakPolarHBondContact O-CG1 3.25Å; S30-I34 PolarHBondContact O-N 3.33Å; L31-I34 PolarHBondContact O-N 3.42Å; I34-G36 VanDerWaalsContact C-N 3.34Å; I34-G36 PolarHBondContact O-N 3.01Å; I34-L37 PolarHBondContact O-N 3.29Å; I34-V38 HydrophobicContact CG2-CG2 4.48Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 3.19Å; I34-V38 PolarHBondContact O-N 2.89Å
35	F	83.3	Confident	77.2	Confident	87 Å²	87	61.9 Å²	61.9	38%	0.382	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-38.4	178.5	-74.3	-47.3	0	0	0	112.6	L31 F33 V38 I39 T59 L62	L31-F35 HydrophobicContact CB-CE2 4.44Å; L31-F35 WeakPolarHBondContact O-CB 3.19Å; L31-F35 WeakPolarHBondContact O-CD2 3.28Å; L31-F35 WeakPolarHBondContact O-CG 3.4Å; L31-F35 PolarHBondContact O-N 3.4Å; F33-F35 PolarHBondContact O-N 3.1Å; F35-V38 PolarHBondContact O-N 2.88Å; F35-I39 WeakPolarHBondContact O-CB 3.23Å; F35-I39 WeakPolarHBondContact O-CD1 3.24Å; F35-I39 VanDerWaalsContact O-CG1 3.22Å; F35-I39 WeakPolarHBondContact O-CG1 3.47Å; F35-I39 PolarHBondContact O-N 2.69Å; F35-T59 HydrophobicContact CB-CG2 3.7Å; F35-L62 HydrophobicContact CD2-CD1 4.48Å
36	G	74.6	Confident	77.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-43.3	176.5	0	0	0	0	0	112.1	A32 F33 I34 I39 M40	A32-G36 PolarHBondContact O-N 2.92Å; F33-G36 PolarHBondContact O-N 2.87Å; I34-G36 VanDerWaalsContact C-N 3.34Å; I34-G36 PolarHBondContact O-N 3.01Å; G36-I39 PolarHBondContact O-N 2.92Å; G36-M40 WeakPolarHBondContact O-CG 3.44Å; G36-M40 PolarHBondContact O-N 2.85Å
37	L	75.9	Confident	76.6	Confident	62 Å²	62	62.5 Å²	62.5	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-44.6	172.5	-71.4	178.3	0	0	0	112	F33 I34 I39 M40 M41	F33-L37 HydrophobicContact CD1-CD1 4.06Å; F33-L37 HydrophobicContact CE1-CD1 3.47Å; F33-L37 VanDerWaalsContact CE1-CD1 3.47Å; F33-L37 HydrophobicContact CE1-CG 4.31Å; F33-L37 HydrophobicContact CE2-CD1 4.39Å; F33-L37 HydrophobicContact CE2-CG 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.67Å; F33-L37 HydrophobicContact CZ-CG 4.21Å; F33-L37 WeakPolarHBondContact O-CG 3.38Å; F33-L37 PolarHBondContact O-N 2.96Å; I34-L37 PolarHBondContact O-N 3.29Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 2.83Å; L37-M40 PolarHBondContact O-N 3.01Å; L37-M41 WeakPolarHBondContact O-CG 3.31Å; L37-M41 PolarHBondContact O-N 3.22Å
38	V	78.8	Confident	75.9	Confident	65 Å²	65	64.9 Å²	64.9	39%	0.394	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-43.9	176.5	170.9	0	0	0	0	110.9	I34 F35 M40 M41 V42 L45	I34-V38 HydrophobicContact CG2-CG2 4.48Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 3.19Å; I34-V38 PolarHBondContact O-N 2.89Å; F35-V38 PolarHBondContact O-N 2.88Å; V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 2.97Å; V38-M41 PolarHBondContact O-N 3.38Å; V38-V42 HydrophobicContact CG1-CG2 4.11Å; V38-V42 WeakPolarHBondContact O-CB 3.39Å; V38-V42 VanDerWaalsContact O-CG2 3.3Å; V38-V42 WeakPolarHBondContact O-CG2 3.34Å; V38-V42 PolarHBondContact O-N 3.03Å; V38-L45 HydrophobicContact CG1-CD1 4.46Å
39	I	75	Confident	75.6	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-45.1	176.7	-72.8	162	0	0	0	110.4	F35 G36 L37 L45 H46 V55 T59 F171 F174	F35-I39 WeakPolarHBondContact O-CB 3.23Å; F35-I39 WeakPolarHBondContact O-CD1 3.24Å; F35-I39 VanDerWaalsContact O-CG1 3.22Å; F35-I39 WeakPolarHBondContact O-CG1 3.47Å; F35-I39 PolarHBondContact O-N 2.69Å; G36-I39 PolarHBondContact O-N 2.92Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 2.83Å; I39-L45 HydrophobicContact CG1-CD1 4.05Å; I39-H46 PolarHBondContact O-CD2 2.76Å; I39-H46 PolarHBondContact O-NE2 3.25Å; I39-V55 HydrophobicContact CD1-CG1 4.03Å; I39-V55 HydrophobicContact CG1-CG1 4.12Å; I39-T59 HydrophobicContact CD1-CG2 4.01Å; I39-T59 VanDerWaalsContact CD1-OG1 3.31Å; I39-T59 WeakPolarHBondContact CD1-OG1 3.43Å; I39-F171 HydrophobicContact CG2-CE2 3.79Å; I39-F174 HydrophobicContact CB-CE1 4.31Å; I39-F174 HydrophobicContact CD1-CE1 4.35Å; I39-F174 HydrophobicContact CD1-CZ 3.94Å; I39-F174 HydrophobicContact CG2-CD1 4.3Å; I39-F174 HydrophobicContact CG2-CE1 3.68Å; I39-F174 HydrophobicContact CG2-CZ 4.35Å
40	M	69.6	Low	75.4	Confident	61 Å²	61	71.8 Å²	71.8	30%	0.3	37%	0.369	S	S	.	.	H	α-helix	trans	-67.9	-30.2	178.8	-71.9	179.3	68	0	0	113.8	G36 L37 V38 H46 V175 Y178	G36-M40 WeakPolarHBondContact O-CG 3.44Å; G36-M40 PolarHBondContact O-N 2.85Å; L37-M40 PolarHBondContact O-N 3.01Å; V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 2.97Å; M40-H46 PolarHBondContact O-CE1 2.84Å; M40-H46 VanDerWaalsContact O-CE1 3.26Å; M40-H46 PolarHBondContact O-NE2 2.98Å; M40-H46 VanDerWaalsContact O-NE2 3.14Å; M40-V175 HydrophobicContact CE-CG1 4.45Å; M40-Y178 HydrophobicContact SD-CD1 4.33Å; M40-Y178 HydrophobicContact SD-CE1 4.24Å
41	M	69.9	Low	75.3	Confident	148 Å²	148	75.6 Å²	75.6	73%	0.729	39%	0.385	S	S	*	.	H	α-helix	trans	-85.4	-28.2	-179.3	-70	-173.2	-168.7	0	0	113.1	L37 V38 N43	L37-M41 WeakPolarHBondContact O-CG 3.31Å; L37-M41 PolarHBondContact O-N 3.22Å; V38-M41 PolarHBondContact O-N 3.38Å; M41-N43 PolarHBondContact O-N 3.4Å
42	V	74.2	Confident	74.6	Confident	62 Å²	62	72.2 Å²	72.2	38%	0.376	37%	0.367	S	S	.	.			trans	-95.4	98.4	-174.1	179	0	0	0	0	110.3	V38 K44 L45	V38-V42 HydrophobicContact CG1-CG2 4.11Å; V38-V42 WeakPolarHBondContact O-CB 3.39Å; V38-V42 VanDerWaalsContact O-CG2 3.3Å; V38-V42 WeakPolarHBondContact O-CG2 3.34Å; V38-V42 PolarHBondContact O-N 3.03Å; V42-K44 HydrophobicContact CG1-CB 4.07Å; V42-K44 PolarHBondContact O-N 3.49Å; V42-L45 HydrophobicContact CB-CD1 3.97Å; V42-L45 HydrophobicContact CB-CG 4.22Å; V42-L45 HydrophobicContact CG1-CD1 4.18Å; V42-L45 HydrophobicContact CG1-CG 4.01Å; V42-L45 WeakPolarHBondContact O-CB 3.34Å; V42-L45 PolarHBondContact O-N 3.16Å
43	N	69.9	Low	74.3	Confident	113 Å²	113	75.2 Å²	75.2	60%	0.604	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-51	-30.2	178.4	-74.3	-20.8	0	0	0	114.8	M41 L45 H46	M41-N43 PolarHBondContact O-N 3.4Å; N43-L45 VanDerWaalsContact C-N 3.26Å; N43-L45 PolarHBondContact O-N 3.34Å; N43-H46 WeakPolarHBondContact O-CB 3.32Å; N43-H46 PolarHBondContact O-N 2.98Å; N43-H46 VanDerWaalsContact O-N 3.16Å; N43-H46 PolarHBondContact OD1-CE1 2.88Å; N43-H46 PolarHBondContact OD1-ND1 3.35Å
44	K	71.2	Confident	74.3	Confident	171 Å²	171	77.6 Å²	77.6	74%	0.743	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-62.1	-33.1	175.2	-101.8	-176.8	177.9	178.4	0	112.8	V42 H46 N47	V42-K44 HydrophobicContact CG1-CB 4.07Å; V42-K44 PolarHBondContact O-N 3.49Å; K44-H46 VanDerWaalsContact C-N 3.27Å; K44-N47 PolarHBondContact O-N 2.97Å
45	L	70.1	Confident	74.4	Confident	36 Å²	36	75.5 Å²	75.5	19%	0.188	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-77.1	-15.3	178.3	-67.2	174	0	0	0	112.2	V38 I39 V42 N43 N47 S52	V38-L45 HydrophobicContact CG1-CD1 4.46Å; I39-L45 HydrophobicContact CG1-CD1 4.05Å; V42-L45 HydrophobicContact CB-CD1 3.97Å; V42-L45 HydrophobicContact CB-CG 4.22Å; V42-L45 HydrophobicContact CG1-CD1 4.18Å; V42-L45 HydrophobicContact CG1-CG 4.01Å; V42-L45 WeakPolarHBondContact O-CB 3.34Å; V42-L45 PolarHBondContact O-N 3.16Å; N43-L45 VanDerWaalsContact C-N 3.26Å; N43-L45 PolarHBondContact O-N 3.34Å; L45-N47 VanDerWaalsContact C-N 3.26Å; L45-N47 PolarHBondContact O-N 2.95Å; L45-S52 WeakPolarHBondContact O-CB 3.34Å; L45-S52 PolarHBondContact O-OG 3.02Å
46	H	75.2	Confident	73.9	Confident	13 Å²	13	72.1 Å²	72.1	6%	0.06	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-75.8	-17	175.1	-54.6	174.2	0	0	0	112.6	I39 M40 N43 K44 Y167 P168 F171	I39-H46 PolarHBondContact O-CD2 2.76Å; I39-H46 PolarHBondContact O-NE2 3.25Å; M40-H46 PolarHBondContact O-CE1 2.84Å; M40-H46 VanDerWaalsContact O-CE1 3.26Å; M40-H46 PolarHBondContact O-NE2 2.98Å; M40-H46 VanDerWaalsContact O-NE2 3.14Å; N43-H46 WeakPolarHBondContact O-CB 3.32Å; N43-H46 PolarHBondContact O-N 2.98Å; N43-H46 VanDerWaalsContact O-N 3.16Å; N43-H46 PolarHBondContact OD1-CE1 2.88Å; N43-H46 PolarHBondContact OD1-ND1 3.35Å; K44-H46 VanDerWaalsContact C-N 3.27Å; H46-Y167 HydrophobicContact CB-CD1 3.85Å; H46-Y167 HydrophobicContact CB-CE1 3.63Å; H46-Y167 AromaticContact CG-CE1 3.85Å; H46-Y167 AromaticContact ND1-CE1 3.46Å; H46-Y167 WeakPolarHBondContact ND1-CE1 3.5Å; H46-P168 VanDerWaalsContact O-CD 3.29Å; H46-P168 WeakPolarHBondContact O-CD 3.49Å; H46-P168 VanDerWaalsContact O-CG 3.23Å; H46-P168 WeakPolarHBondContact O-CG 3.3Å; H46-F171 HydrophobicContact CB-CD1 4.36Å; H46-F171 HydrophobicContact CB-CE1 4.17Å; H46-F171 HydrophobicContact CB-CE2 4.48Å; H46-F171 HydrophobicContact CB-CZ 4.29Å; H46-F171 AromaticContact CD2-CE1 3.72Å; H46-F171 AromaticContact CD2-CE2 3.36Å; H46-F171 WeakPolarHBondContact CD2-CE2 3.48Å; H46-F171 AromaticContact CD2-CZ 3.06Å; H46-F171 WeakPolarHBondContact CD2-CZ 3.31Å; H46-F171 AromaticContact CE1-CZ 3.88Å; H46-F171 AromaticContact CG-CE1 3.74Å; H46-F171 AromaticContact CG-CZ 3.58Å; H46-F171 AromaticContact NE2-CE2 3.94Å; H46-F171 AromaticContact NE2-CZ 3.29Å; H46-F171 VanDerWaalsContact NE2-CZ 3.29Å; H46-F171 WeakPolarHBondContact NE2-CZ 3.47Å
47	N	69.7	Low	73.8	Confident	93 Å²	93	74 Å²	74	50%	0.497	40%	0.398	S	S	.	.	S	Bend	trans	-71.1	147.9	177.9	-69.5	-30.3	0	0	0	111.2	K44 L45 S49 S52	K44-N47 PolarHBondContact O-N 2.97Å; L45-N47 VanDerWaalsContact C-N 3.26Å; L45-N47 PolarHBondContact O-N 2.95Å; N47-S49 PolarHBondContact O-N 3.33Å; N47-S52 WeakPolarHBondContact O-CB 3.18Å; N47-S52 PolarHBondContact O-OG 3.28Å; N47-S52 VanDerWaalsContact O-OG 3.05Å
48	Q	69.2	Low	74.1	Confident	138 Å²	138	76.5 Å²	76.5	65%	0.645	41%	0.406	S	S	*	.			trans	-76.5	50	-177.9	-142.2	173	17.5	0	0	112.5	P168	Q48-P168 HydrophobicContact CB-CB 3.85Å; Q48-P168 HydrophobicContact CB-CG 3.98Å; Q48-P168 HydrophobicContact CG-CB 3.47Å; Q48-P168 VanDerWaalsContact CG-CB 3.47Å; Q48-P168 HydrophobicContact CG-CG 4.03Å
49	S	76.3	Confident	74.2	Confident	48 Å²	48	73.5 Å²	73.5	34%	0.336	39%	0.388	S	S	.	.			trans	-85.8	152.7	173.4	87	0	0	0	0	110.5	N47 I51 S52 T53	N47-S49 PolarHBondContact O-N 3.33Å; S49-I51 VanDerWaalsContact C-N 3.25Å; S49-I51 PolarHBondContact O-N 3.33Å; S49-S52 PolarHBondContact O-N 2.97Å; S49-S52 WeakPolarHBondContact OG-CB 3.22Å; S49-S52 PolarHBondContact OG-N 3.44Å; S49-S52 PolarHBondContact OG-OG 3.17Å; S49-T53 PolarHBondContact O-N 3.44Å; S49-T53 PolarHBondContact O-OG1 3.2Å
50	L	75.9	Confident	74	Confident	137 Å²	137	74.6 Å²	74.6	72%	0.717	40%	0.397	S	S	*	.	H	α-helix	trans	-60.9	-39.5	177.1	-159.9	149.4	0	0	0	110.6	T53 I54	L50-T53 PolarHBondContact O-N 2.84Å; L50-I54 HydrophobicContact CD2-CD1 3.48Å; L50-I54 VanDerWaalsContact CD2-CD1 3.48Å; L50-I54 HydrophobicContact CD2-CG1 4.21Å; L50-I54 WeakPolarHBondContact O-CG1 3.32Å; L50-I54 PolarHBondContact O-N 3.02Å
51	I	79.8	Confident	74.3	Confident	124 Å²	124	78.9 Å²	78.9	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-62.5	-48.5	175.3	-62.4	170	0	0	0	110.9	S49 T53 I54 V55	S49-I51 VanDerWaalsContact C-N 3.25Å; S49-I51 PolarHBondContact O-N 3.33Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 3.3Å; I51-I54 PolarHBondContact O-N 2.81Å; I51-V55 HydrophobicContact CG2-CG2 4.32Å; I51-V55 WeakPolarHBondContact O-CG2 3.37Å; I51-V55 PolarHBondContact O-N 3.26Å
52	S	71.5	Confident	74.8	Confident	5 Å²	5	72.9 Å²	72.9	4%	0.035	38%	0.382	C	S	.	.	H	α-helix	trans	-56.1	-48.6	177.1	-58.5	0	0	0	0	110.2	L45 N47 S49 I54 V55 T56	L45-S52 WeakPolarHBondContact O-CB 3.34Å; L45-S52 PolarHBondContact O-OG 3.02Å; N47-S52 WeakPolarHBondContact O-CB 3.18Å; N47-S52 PolarHBondContact O-OG 3.28Å; N47-S52 VanDerWaalsContact O-OG 3.05Å; S49-S52 PolarHBondContact O-N 2.97Å; S49-S52 WeakPolarHBondContact OG-CB 3.22Å; S49-S52 PolarHBondContact OG-N 3.44Å; S49-S52 PolarHBondContact OG-OG 3.17Å; S52-I54 VanDerWaalsContact C-N 3.32Å; S52-I54 PolarHBondContact O-N 2.84Å; S52-V55 PolarHBondContact O-N 3.47Å; S52-V55 VanDerWaalsContact O-N 3.16Å; S52-T56 WeakPolarHBondContact O-CB 3.46Å; S52-T56 PolarHBondContact O-N 3.31Å; S52-T56 PolarHBondContact O-OG1 2.92Å
53	T	71	Confident	74.9	Confident	64 Å²	64	70.1 Å²	70.1	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-40.5	-179.1	-54.7	0	0	0	0	112.1	S49 L50 I51 G57	S49-T53 PolarHBondContact O-N 3.44Å; S49-T53 PolarHBondContact O-OG1 3.2Å; L50-T53 PolarHBondContact O-N 2.84Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 3.3Å; T53-G57 PolarHBondContact O-N 3.21Å
54	I	78.5	Confident	75	Confident	106 Å²	106	67 Å²	67	54%	0.544	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-48.7	174.6	-70.4	172.8	0	0	0	110.8	L50 I51 S52 T56 G57 F58	L50-I54 HydrophobicContact CD2-CD1 3.48Å; L50-I54 VanDerWaalsContact CD2-CD1 3.48Å; L50-I54 HydrophobicContact CD2-CG1 4.21Å; L50-I54 WeakPolarHBondContact O-CG1 3.32Å; L50-I54 PolarHBondContact O-N 3.02Å; I51-I54 PolarHBondContact O-N 2.81Å; S52-I54 VanDerWaalsContact C-N 3.32Å; S52-I54 PolarHBondContact O-N 2.84Å; I54-T56 VanDerWaalsContact C-N 3.33Å; I54-T56 PolarHBondContact O-N 3.3Å; I54-G57 PolarHBondContact O-N 3.44Å; I54-F58 WeakPolarHBondContact O-CB 3.43Å; I54-F58 PolarHBondContact O-N 2.95Å
55	V	82	Confident	75.2	Confident	51 Å²	51	61.3 Å²	61.3	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-44.3	-179.4	171	0	0	0	0	110.8	I39 I51 S52 T59	I39-V55 HydrophobicContact CD1-CG1 4.03Å; I39-V55 HydrophobicContact CG1-CG1 4.12Å; I51-V55 HydrophobicContact CG2-CG2 4.32Å; I51-V55 WeakPolarHBondContact O-CG2 3.37Å; I51-V55 PolarHBondContact O-N 3.26Å; S52-V55 PolarHBondContact O-N 3.47Å; S52-V55 VanDerWaalsContact O-N 3.16Å; V55-T59 WeakPolarHBondContact O-CB 3.36Å; V55-T59 PolarHBondContact O-N 3.34Å; V55-T59 PolarHBondContact O-OG1 2.86Å
56	T	73.7	Confident	75.3	Confident	16 Å²	16	59.6 Å²	59.6	10%	0.098	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-47.4	177.5	-51.9	0	0	0	0	111.8	S52 I54 T59 A60 F174	S52-T56 WeakPolarHBondContact O-CB 3.46Å; S52-T56 PolarHBondContact O-N 3.31Å; S52-T56 PolarHBondContact O-OG1 2.92Å; I54-T56 VanDerWaalsContact C-N 3.33Å; I54-T56 PolarHBondContact O-N 3.3Å; T56-T59 PolarHBondContact O-N 2.93Å; T56-A60 PolarHBondContact O-N 3.46Å; T56-F174 HydrophobicContact CG2-CB 3.41Å; T56-F174 VanDerWaalsContact CG2-CB 3.41Å; T56-F174 HydrophobicContact CG2-CD1 3.44Å; T56-F174 VanDerWaalsContact CG2-CD1 3.44Å; T56-F174 HydrophobicContact CG2-CD2 3.17Å; T56-F174 HydrophobicContact CG2-CE1 3.93Å; T56-F174 HydrophobicContact CG2-CE2 3.68Å; T56-F174 HydrophobicContact CG2-CG 3.01Å; T56-F174 HydrophobicContact CG2-CZ 4.03Å; T56-F174 WeakPolarHBondContact O-CE2 3.43Å
57	G	71.6	Confident	75	Confident	40 Å²	40	59.3 Å²	59.3	41%	0.412	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-42.6	177.2	0	0	0	0	0	112.7	T53 I54 T59 A60 Y61	T53-G57 PolarHBondContact O-N 3.21Å; I54-G57 PolarHBondContact O-N 3.44Å; G57-T59 PolarHBondContact O-N 3.12Å; G57-A60 PolarHBondContact O-N 2.83Å; G57-Y61 WeakPolarHBondContact O-CB 3.43Å; G57-Y61 PolarHBondContact O-N 2.82Å
58	F	83.4	Confident	74.9	Confident	114 Å²	114	60.3 Å²	60.3	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-42	176.3	-177.3	-107.1	0	0	0	111.7	I54 Y61 L62	I54-F58 WeakPolarHBondContact O-CB 3.43Å; I54-F58 PolarHBondContact O-N 2.95Å; F58-Y61 WeakPolarHBondContact O-CB 3.3Å; F58-Y61 PolarHBondContact O-N 3.49Å; F58-L62 HydrophobicContact CD1-CD1 3.79Å; F58-L62 HydrophobicContact CD1-CG 4.25Å; F58-L62 HydrophobicContact CE1-CD1 3.32Å; F58-L62 HydrophobicContact CE1-CD2 4.38Å; F58-L62 HydrophobicContact CE1-CG 3.9Å; F58-L62 HydrophobicContact CE2-CD2 4.41Å; F58-L62 HydrophobicContact CE2-CG 4.35Å; F58-L62 HydrophobicContact CZ-CD1 3.79Å; F58-L62 HydrophobicContact CZ-CD2 3.98Å; F58-L62 HydrophobicContact CZ-CG 3.94Å; F58-L62 WeakPolarHBondContact O-CG 3.49Å; F58-L62 PolarHBondContact O-N 3.4Å
59	T	81.3	Confident	74.9	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-44.9	176.6	-57.6	0	0	0	0	111.5	A32 F35 I39 V55 T56 G57 Y61 L62 L63 F174	A32-T59 HydrophobicContact CB-CG2 4.49Å; A32-T59 WeakPolarHBondContact O-CG2 3.31Å; F35-T59 HydrophobicContact CB-CG2 3.7Å; I39-T59 HydrophobicContact CD1-CG2 4.01Å; I39-T59 VanDerWaalsContact CD1-OG1 3.31Å; I39-T59 WeakPolarHBondContact CD1-OG1 3.43Å; V55-T59 WeakPolarHBondContact O-CB 3.36Å; V55-T59 PolarHBondContact O-N 3.34Å; V55-T59 PolarHBondContact O-OG1 2.86Å; T56-T59 PolarHBondContact O-N 2.93Å; G57-T59 PolarHBondContact O-N 3.12Å; T59-Y61 VanDerWaalsContact C-N 3.31Å; T59-Y61 PolarHBondContact O-N 2.73Å; T59-L62 PolarHBondContact O-N 2.57Å; T59-L63 PolarHBondContact O-N 2.95Å; T59-F174 HydrophobicContact CG2-CE2 4.44Å; T59-F174 HydrophobicContact CG2-CZ 4.29Å
60	A	70.6	Confident	74.6	Confident	25 Å²	25	54.7 Å²	54.7	21%	0.207	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-40.2	175.2	0	0	0	0	0	112	T56 G57 L63 T64 F174	T56-A60 PolarHBondContact O-N 3.46Å; G57-A60 PolarHBondContact O-N 2.83Å; A60-L63 PolarHBondContact O-N 3.43Å; A60-T64 WeakPolarHBondContact O-CB 3.4Å; A60-T64 PolarHBondContact O-N 3.38Å; A60-T64 PolarHBondContact O-OG1 3.26Å; A60-F174 HydrophobicContact CB-CD2 4.07Å; A60-F174 HydrophobicContact CB-CE2 4.08Å
61	Y	75.5	Confident	74	Confident	150 Å²	150	48.5 Å²	48.5	59%	0.588	26%	0.261	S	S	*	.	H	α-helix	trans	-63.9	-47.4	177.4	-176.7	-104.5	0	0	0	112	G57 F58 T59 L63 T64 I65	G57-Y61 WeakPolarHBondContact O-CB 3.43Å; G57-Y61 PolarHBondContact O-N 2.82Å; F58-Y61 WeakPolarHBondContact O-CB 3.3Å; F58-Y61 PolarHBondContact O-N 3.49Å; T59-Y61 VanDerWaalsContact C-N 3.31Å; T59-Y61 PolarHBondContact O-N 2.73Å; Y61-L63 VanDerWaalsContact C-N 3.33Å; Y61-L63 PolarHBondContact O-N 3.36Å; Y61-T64 PolarHBondContact O-N 3.41Å; Y61-I65 HydrophobicContact CD1-CD1 3.85Å; Y61-I65 HydrophobicContact CD2-CD1 4.47Å; Y61-I65 HydrophobicContact CE1-CD1 3.23Å; Y61-I65 HydrophobicContact CE1-CG1 4.32Å; Y61-I65 HydrophobicContact CE2-CD1 3.93Å; Y61-I65 HydrophobicContact CE2-CG1 4.42Å; Y61-I65 HydrophobicContact CG-CD1 4.44Å; Y61-I65 PolarHBondContact O-N 2.79Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.46Å
62	L	80.4	Confident	73.2	Confident	22 Å²	22	43.4 Å²	43.4	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-57.8	-46.2	175.1	-74	177.1	0	0	0	111.6	L28 A32 F35 F58 T59 T64 I65 G66	L28-L62 HydrophobicContact CD2-CD2 3.52Å; A32-L62 HydrophobicContact CB-CB 3.86Å; F35-L62 HydrophobicContact CD2-CD1 4.48Å; F58-L62 HydrophobicContact CD1-CD1 3.79Å; F58-L62 HydrophobicContact CD1-CG 4.25Å; F58-L62 HydrophobicContact CE1-CD1 3.32Å; F58-L62 HydrophobicContact CE1-CD2 4.38Å; F58-L62 HydrophobicContact CE1-CG 3.9Å; F58-L62 HydrophobicContact CE2-CD2 4.41Å; F58-L62 HydrophobicContact CE2-CG 4.35Å; F58-L62 HydrophobicContact CZ-CD1 3.79Å; F58-L62 HydrophobicContact CZ-CD2 3.98Å; F58-L62 HydrophobicContact CZ-CG 3.94Å; F58-L62 WeakPolarHBondContact O-CG 3.49Å; F58-L62 PolarHBondContact O-N 3.4Å; T59-L62 PolarHBondContact O-N 2.57Å; L62-T64 VanDerWaalsContact C-N 3.34Å; L62-T64 PolarHBondContact O-N 3.11Å; L62-I65 PolarHBondContact O-N 3.33Å; L62-G66 PolarHBondContact O-N 2.76Å
63	L	77.2	Confident	72.8	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-45.9	178.3	-171.2	61.8	0	0	0	110.8	A32 T59 A60 Y61 I65 G66 V67 Y178 M181	A32-L63 HydrophobicContact CB-CB 3.68Å; A32-L63 HydrophobicContact CB-CD1 4.06Å; A32-L63 HydrophobicContact CB-CG 4.46Å; T59-L63 PolarHBondContact O-N 2.95Å; A60-L63 PolarHBondContact O-N 3.43Å; Y61-L63 VanDerWaalsContact C-N 3.33Å; Y61-L63 PolarHBondContact O-N 3.36Å; L63-I65 PolarHBondContact O-N 2.86Å; L63-G66 PolarHBondContact O-N 3.42Å; L63-V67 HydrophobicContact CD1-CG2 4.24Å; L63-V67 HydrophobicContact CG-CG2 4.24Å; L63-V67 WeakPolarHBondContact O-CB 3.46Å; L63-V67 WeakPolarHBondContact O-CG2 3.27Å; L63-V67 PolarHBondContact O-N 3.32Å; L63-Y178 HydrophobicContact CD2-CD2 3.56Å; L63-Y178 HydrophobicContact CD2-CE2 3.82Å; L63-Y178 HydrophobicContact CD2-CG 4.47Å; L63-M181 HydrophobicContact CD2-CB 3.58Å; L63-M181 HydrophobicContact CD2-CG 4.43Å; L63-M181 HydrophobicContact CG-CB 4.16Å
64	T	70.1	Confident	72.4	Confident	47 Å²	47	42.1 Å²	42.1	29%	0.288	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-47.4	-178.6	-56.5	0	0	0	0	111.2	A60 Y61 L62 V67 I68	A60-T64 WeakPolarHBondContact O-CB 3.4Å; A60-T64 PolarHBondContact O-N 3.38Å; A60-T64 PolarHBondContact O-OG1 3.26Å; Y61-T64 PolarHBondContact O-N 3.41Å; L62-T64 VanDerWaalsContact C-N 3.34Å; L62-T64 PolarHBondContact O-N 3.11Å; T64-V67 PolarHBondContact O-N 2.74Å; T64-I68 HydrophobicContact CG2-CD1 3.82Å; T64-I68 WeakPolarHBondContact O-CB 3.43Å; T64-I68 VanDerWaalsContact O-CG1 3.23Å; T64-I68 WeakPolarHBondContact O-CG1 3.2Å; T64-I68 PolarHBondContact O-N 3.41Å
65	I	76.1	Confident	71.5	Confident	52 Å²	52	40.6 Å²	40.6	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-46.8	176.6	-69.2	-178.5	0	0	0	110.7	L28 Y61 L62 L63 V67 I68 L69	L28-I65 HydrophobicContact CD1-CG2 3.83Å; Y61-I65 HydrophobicContact CD1-CD1 3.85Å; Y61-I65 HydrophobicContact CD2-CD1 4.47Å; Y61-I65 HydrophobicContact CE1-CD1 3.23Å; Y61-I65 HydrophobicContact CE1-CG1 4.32Å; Y61-I65 HydrophobicContact CE2-CD1 3.93Å; Y61-I65 HydrophobicContact CE2-CG1 4.42Å; Y61-I65 HydrophobicContact CG-CD1 4.44Å; Y61-I65 PolarHBondContact O-N 2.79Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.46Å; L62-I65 PolarHBondContact O-N 3.33Å; L63-I65 PolarHBondContact O-N 2.86Å; I65-V67 VanDerWaalsContact C-N 3.32Å; I65-V67 PolarHBondContact O-N 3.17Å; I65-I68 PolarHBondContact O-N 3Å; I65-L69 HydrophobicContact CG2-CD1 3.73Å; I65-L69 HydrophobicContact CG2-CG 4.17Å; I65-L69 WeakPolarHBondContact O-CB 3.38Å; I65-L69 WeakPolarHBondContact O-CG 3.28Å; I65-L69 PolarHBondContact O-N 3.48Å
66	G	72.7	Confident	70	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.4	-48	179.2	0	0	0	0	0	111.7	L62 L63 L69 F70	L62-G66 PolarHBondContact O-N 2.76Å; L63-G66 PolarHBondContact O-N 3.42Å; G66-L69 PolarHBondContact O-N 3.29Å; G66-F70 VanDerWaalsContact O-CB 3.3Å; G66-F70 WeakPolarHBondContact O-CB 3.36Å; G66-F70 PolarHBondContact O-N 2.78Å
67	V	67.7	Low	69.1	Low	7 Å²	7	49.1 Å²	49.1	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-44.8	177.1	172.5	0	0	0	0	111.9	L63 T64 I65 F70 G71 M181 Y184 L185	L63-V67 HydrophobicContact CD1-CG2 4.24Å; L63-V67 HydrophobicContact CG-CG2 4.24Å; L63-V67 WeakPolarHBondContact O-CB 3.46Å; L63-V67 WeakPolarHBondContact O-CG2 3.27Å; L63-V67 PolarHBondContact O-N 3.32Å; T64-V67 PolarHBondContact O-N 2.74Å; I65-V67 VanDerWaalsContact C-N 3.32Å; I65-V67 PolarHBondContact O-N 3.17Å; V67-F70 PolarHBondContact O-N 2.93Å; V67-G71 PolarHBondContact O-N 3.4Å; V67-M181 HydrophobicContact CG1-SD 4.45Å; V67-Y184 HydrophobicContact CG1-CD1 3.46Å; V67-Y184 VanDerWaalsContact CG1-CD1 3.46Å; V67-Y184 HydrophobicContact CG1-CE1 3.41Å; V67-Y184 VanDerWaalsContact CG1-CE1 3.41Å; V67-L185 HydrophobicContact CB-CD1 4.44Å; V67-L185 HydrophobicContact CG2-CD1 3.64Å
68	I	69.1	Low	68.5	Low	113 Å²	113	48 Å²	48	58%	0.579	25%	0.245	S	C	*	.	H	α-helix	trans	-61.7	-46.7	178.9	-71.7	167.6	0	0	0	110.7	T64 I65 F70 G71 G72	T64-I68 HydrophobicContact CG2-CD1 3.82Å; T64-I68 WeakPolarHBondContact O-CB 3.43Å; T64-I68 VanDerWaalsContact O-CG1 3.23Å; T64-I68 WeakPolarHBondContact O-CG1 3.2Å; T64-I68 PolarHBondContact O-N 3.41Å; I65-I68 PolarHBondContact O-N 3Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 2.9Å; I68-G71 PolarHBondContact O-N 3Å; I68-G72 PolarHBondContact O-N 3.37Å
69	L	69.1	Low	67.2	Low	59 Å²	59	43.3 Å²	43.3	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-41.4	178.2	-69.5	174.7	0	0	0	111	I21 L28 I65 G66 G72 F73	I21-L69 HydrophobicContact CG2-CD2 4.26Å; L28-L69 HydrophobicContact CD1-CD1 4.04Å; I65-L69 HydrophobicContact CG2-CD1 3.73Å; I65-L69 HydrophobicContact CG2-CG 4.17Å; I65-L69 WeakPolarHBondContact O-CB 3.38Å; I65-L69 WeakPolarHBondContact O-CG 3.28Å; I65-L69 PolarHBondContact O-N 3.48Å; G66-L69 PolarHBondContact O-N 3.29Å; L69-G72 PolarHBondContact O-N 3.5Å; L69-F73 VanDerWaalsContact O-CD2 3.3Å; L69-F73 WeakPolarHBondContact O-CD2 3.12Å; L69-F73 WeakPolarHBondContact O-CE2 3.4Å
70	F	70.6	Confident	65.9	Low	9 Å²	9	47.4 Å²	47.4	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-38.2	178.5	-161.4	-85.2	0	0	0	112.2	F22 S25 M29 G66 V67 I68 G72 F73 I188 L189	F22-F70 HydrophobicContact CD2-CD2 4.37Å; F22-F70 HydrophobicContact CD2-CE2 4.06Å; F22-F70 AromaticContact CE2-CD2 3.98Å; F22-F70 HydrophobicContact CE2-CD2 3.98Å; F22-F70 AromaticContact CE2-CE2 3.25Å; F22-F70 HydrophobicContact CE2-CE2 3.25Å; F22-F70 AromaticContact CE2-CZ 3.75Å; F22-F70 HydrophobicContact CE2-CZ 3.75Å; F22-F70 AromaticContact CZ-CE2 3.7Å; F22-F70 HydrophobicContact CZ-CE2 3.7Å; F22-F70 HydrophobicContact CZ-CZ 4.22Å; S25-F70 WeakPolarHBondContact OG-CD2 3.41Å; M29-F70 HydrophobicContact CE-CD2 3.82Å; M29-F70 HydrophobicContact CE-CE2 4.16Å; M29-F70 HydrophobicContact CE-CG 4.16Å; M29-F70 HydrophobicContact SD-CB 3.55Å; M29-F70 VanDerWaalsContact SD-CB 3.55Å; M29-F70 HydrophobicContact SD-CD2 3.74Å; M29-F70 HydrophobicContact SD-CG 3.75Å; G66-F70 VanDerWaalsContact O-CB 3.3Å; G66-F70 WeakPolarHBondContact O-CB 3.36Å; G66-F70 PolarHBondContact O-N 2.78Å; V67-F70 PolarHBondContact O-N 2.93Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 2.9Å; F70-G72 PolarHBondContact O-N 3.35Å; F70-F73 PolarHBondContact O-N 2.75Å; F70-F73 VanDerWaalsContact O-N 3.15Å; F70-I188 HydrophobicContact CD1-CG2 3.66Å; F70-I188 HydrophobicContact CE1-CG2 3.42Å; F70-I188 VanDerWaalsContact CE1-CG2 3.42Å; F70-L189 HydrophobicContact CE1-CD2 4.42Å; F70-L189 HydrophobicContact CZ-CD2 4.01Å
71	G	62.1	Low	65.5	Low	8 Å²	8	50 Å²	50	8%	0.082	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-23.4	173.9	0	0	0	0	0	113.4	V67 I68 F73 I74	V67-G71 PolarHBondContact O-N 3.4Å; I68-G71 PolarHBondContact O-N 3Å; G71-F73 PolarHBondContact O-N 3.36Å; G71-F73 VanDerWaalsContact O-N 3.15Å; G71-I74 PolarHBondContact O-N 3Å
72	G	62.4	Low	64.8	Low	16 Å²	16	42.9 Å²	42.9	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.5	172.4	0	0	0	0	0	115.1	W3 I68 L69 F70	W3-G72 VanDerWaalsContact CZ3-CA 3.45Å; I68-G72 PolarHBondContact O-N 3.37Å; L69-G72 PolarHBondContact O-N 3.5Å; F70-G72 PolarHBondContact O-N 3.35Å
73	F	63.3	Low	63.7	Low	34 Å²	34	47 Å²	47	15%	0.149	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	5.4	-175.4	-63.7	-82.5	0	0	0	113.9	I21 F22 L69 F70 G71	I21-F73 HydrophobicContact CB-CE2 4.44Å; I21-F73 HydrophobicContact CB-CZ 3.93Å; I21-F73 HydrophobicContact CG2-CE2 3.86Å; I21-F73 HydrophobicContact CG2-CZ 3.79Å; F22-F73 HydrophobicContact CB-CE1 4.38Å; F22-F73 HydrophobicContact CB-CE2 4.1Å; F22-F73 HydrophobicContact CB-CZ 3.92Å; F22-F73 HydrophobicContact CD2-CD2 4.22Å; F22-F73 HydrophobicContact CD2-CE2 4.42Å; F22-F73 HydrophobicContact CD2-CG 4.42Å; L69-F73 VanDerWaalsContact O-CD2 3.3Å; L69-F73 WeakPolarHBondContact O-CD2 3.12Å; L69-F73 WeakPolarHBondContact O-CE2 3.4Å; F70-F73 PolarHBondContact O-N 2.75Å; F70-F73 VanDerWaalsContact O-N 3.15Å; G71-F73 PolarHBondContact O-N 3.36Å; G71-F73 VanDerWaalsContact O-N 3.15Å
74	I	63.9	Low	62.6	Low	8 Å²	8	51.1 Å²	51.1	4%	0.041	27%	0.269	C	S	.	.	S	Bend	trans	-111	145	-175.3	-55.7	174.1	0	0	0	108.8	G71 L76 D78 A79 I188	G71-I74 PolarHBondContact O-N 3Å; I74-L76 PolarHBondContact O-N 3.44Å; I74-D78 HydrophobicContact CG2-CB 3.71Å; I74-A79 HydrophobicContact CG2-CB 4.38Å; I74-I188 HydrophobicContact CD1-CB 3.86Å; I74-I188 HydrophobicContact CD1-CD1 3.58Å; I74-I188 HydrophobicContact CD1-CG1 3.46Å; I74-I188 VanDerWaalsContact CD1-CG1 3.46Å; I74-I188 HydrophobicContact CD1-CG2 3.25Å; I74-I188 HydrophobicContact CG1-CG2 4.49Å
75	E	58.3	Low	62.2	Low	75 Å²	75	51.7 Å²	51.7	35%	0.35	27%	0.272	S	S	.	.			trans	-57.3	132.2	172.2	-75.2	-172.9	161.1	0	0	110.4	T5 L77 D78 A79 K195	T5-E75 HydrophobicContact CG2-CG 4.25Å; E75-L77 PolarHBondContact O-N 2.97Å; E75-D78 WeakPolarHBondContact O-CB 3.13Å; E75-D78 PolarHBondContact O-N 3.5Å; E75-A79 PolarHBondContact O-N 2.81Å; E75-K195 IonicContact OE2-NZ 2.63Å; E75-K195 PolarHBondContact OE2-NZ 3.32Å
76	L	51.9	Low	61.4	Low	125 Å²	125	49.3 Å²	49.3	65%	0.654	26%	0.26	S	S	*	.	H	α-helix	trans	-50.4	-38.4	-175	-173.5	71.6	0	0	0	112.5	I74 A79 I80	I74-L76 PolarHBondContact O-N 3.44Å; L76-A79 PolarHBondContact O-N 2.83Å; L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 WeakPolarHBondContact O-CD1 3.36Å; L76-I80 VanDerWaalsContact O-CG1 3.23Å; L76-I80 WeakPolarHBondContact O-CG1 2.98Å; L76-I80 PolarHBondContact O-N 3.03Å
77	L	54.3	Low	60.6	Low	120 Å²	120	55.6 Å²	55.6	63%	0.628	29%	0.288	S	S	*	.	H	α-helix	trans	-64.9	-44	179.3	-162.9	111.1	0	0	0	112.3	E75 I80 I81	E75-L77 PolarHBondContact O-N 2.97Å; L77-I80 PolarHBondContact O-N 2.77Å; L77-I81 HydrophobicContact CD2-CD1 4.04Å; L77-I81 HydrophobicContact CG-CD1 4.45Å; L77-I81 VanDerWaalsContact O-CG1 3.32Å; L77-I81 WeakPolarHBondContact O-CG1 3.19Å; L77-I81 PolarHBondContact O-N 3.37Å; L77-I81 VanDerWaalsContact O-N 3.09Å
78	D	58.3	Low	60.3	Low	18 Å²	18	59.9 Å²	59.9	10%	0.096	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-43.2	176.4	-70.5	-7.8	0	0	0	110.6	I74 E75 I80 I81 I82 I191 K195	I74-D78 HydrophobicContact CG2-CB 3.71Å; E75-D78 WeakPolarHBondContact O-CB 3.13Å; E75-D78 PolarHBondContact O-N 3.5Å; D78-I80 VanDerWaalsContact C-N 3.29Å; D78-I80 PolarHBondContact O-N 3.36Å; D78-I81 PolarHBondContact O-N 2.85Å; D78-I82 HydrophobicContact CB-CD1 4.4Å; D78-I82 WeakPolarHBondContact O-CB 3.42Å; D78-I82 VanDerWaalsContact O-CD1 3.32Å; D78-I82 WeakPolarHBondContact O-CD1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.21Å; D78-I82 PolarHBondContact O-N 3.19Å; D78-I191 HydrophobicContact CB-CG2 4.34Å; D78-K195 IonicContact OD1-NZ 3.04Å; D78-K195 PolarHBondContact OD1-NZ 2.93Å; D78-K195 WeakPolarHBondContact OD2-CD 3.09Å; D78-K195 WeakPolarHBondContact OD2-CE 3.43Å; D78-K195 IonicContact OD2-NZ 2.59Å; D78-K195 PolarHBondContact OD2-NZ 3.03Å
79	A	55.8	Low	59.8	Low	14 Å²	14	57.2 Å²	57.2	12%	0.116	30%	0.297	C	S	.	.	H	α-helix	trans	-57.9	-43.5	178.6	0	0	0	0	0	111.2	I74 E75 L76 I82 Q83	I74-A79 HydrophobicContact CG2-CB 4.38Å; E75-A79 PolarHBondContact O-N 2.81Å; L76-A79 PolarHBondContact O-N 2.83Å; A79-I82 PolarHBondContact O-N 3.29Å; A79-Q83 WeakPolarHBondContact O-CB 3.21Å; A79-Q83 PolarHBondContact O-N 3.33Å
80	I	54.9	Low	59.2	Low	88 Å²	88	54.5 Å²	54.5	45%	0.451	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-47.9	175.5	-69.1	164.9	0	0	0	111.1	L76 L77 D78 I82 Q83 I84	L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 WeakPolarHBondContact O-CD1 3.36Å; L76-I80 VanDerWaalsContact O-CG1 3.23Å; L76-I80 WeakPolarHBondContact O-CG1 2.98Å; L76-I80 PolarHBondContact O-N 3.03Å; L77-I80 PolarHBondContact O-N 2.77Å; D78-I80 VanDerWaalsContact C-N 3.29Å; D78-I80 PolarHBondContact O-N 3.36Å; I80-I82 VanDerWaalsContact C-N 3.33Å; I80-I82 PolarHBondContact O-N 2.84Å; I80-Q83 WeakPolarHBondContact O-CB 3.3Å; I80-Q83 PolarHBondContact O-N 2.67Å; I80-I84 HydrophobicContact CG2-CD1 3.8Å; I80-I84 WeakPolarHBondContact O-CG1 3.43Å; I80-I84 PolarHBondContact O-N 3.03Å
81	I	60.9	Low	58.6	Low	80 Å²	80	57.2 Å²	57.2	41%	0.41	30%	0.297	S	S	.	.	H	α-helix	trans	-59.4	-46.8	179.1	-68.9	166.2	0	0	0	110.1	L77 D78 Q83 I84 V85	L77-I81 HydrophobicContact CD2-CD1 4.04Å; L77-I81 HydrophobicContact CG-CD1 4.45Å; L77-I81 VanDerWaalsContact O-CG1 3.32Å; L77-I81 WeakPolarHBondContact O-CG1 3.19Å; L77-I81 PolarHBondContact O-N 3.37Å; L77-I81 VanDerWaalsContact O-N 3.09Å; D78-I81 PolarHBondContact O-N 2.85Å; I81-Q83 VanDerWaalsContact C-N 3.3Å; I81-Q83 PolarHBondContact O-N 3.07Å; I81-I84 PolarHBondContact O-N 2.9Å; I81-V85 HydrophobicContact CG2-CG2 4.26Å; I81-V85 WeakPolarHBondContact O-CB 3.26Å; I81-V85 VanDerWaalsContact O-CG2 3.27Å; I81-V85 WeakPolarHBondContact O-CG2 3.39Å; I81-V85 PolarHBondContact O-N 3.28Å
82	I	62.5	Low	58.6	Low	1 Å²	1	61 Å²	61	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-39.3	179.8	-64	157.1	0	0	0	110.7	D78 A79 I80 I84 V85 S86 Y184 L187 I188 I191	D78-I82 HydrophobicContact CB-CD1 4.4Å; D78-I82 WeakPolarHBondContact O-CB 3.42Å; D78-I82 VanDerWaalsContact O-CD1 3.32Å; D78-I82 WeakPolarHBondContact O-CD1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.21Å; D78-I82 PolarHBondContact O-N 3.19Å; A79-I82 PolarHBondContact O-N 3.29Å; I80-I82 VanDerWaalsContact C-N 3.33Å; I80-I82 PolarHBondContact O-N 2.84Å; I82-I84 PolarHBondContact O-N 3.15Å; I82-V85 PolarHBondContact O-N 3.09Å; I82-S86 VanDerWaalsContact O-CB 3.26Å; I82-S86 WeakPolarHBondContact O-CB 3.43Å; I82-S86 PolarHBondContact O-N 3.39Å; I82-S86 PolarHBondContact O-OG 3.45Å; I82-Y184 HydrophobicContact CB-CE2 4.19Å; I82-Y184 HydrophobicContact CG2-CD2 3.63Å; I82-Y184 HydrophobicContact CG2-CE2 3.72Å; I82-Y184 HydrophobicContact CG2-CG 4.33Å; I82-L187 HydrophobicContact CG2-CB 3.54Å; I82-I188 HydrophobicContact CD1-CB 4.37Å; I82-I188 HydrophobicContact CD1-CG1 3.73Å; I82-I188 HydrophobicContact CG2-CG1 3.92Å; I82-I191 HydrophobicContact CD1-CB 4.21Å; I82-I191 HydrophobicContact CD1-CD1 3.78Å; I82-I191 HydrophobicContact CD1-CG1 4.3Å; I82-I191 HydrophobicContact CG1-CD1 3.41Å; I82-I191 VanDerWaalsContact CG1-CD1 3.41Å; I82-I191 HydrophobicContact CG1-CG1 4.28Å
83	Q	55.7	Low	58.3	Low	107 Å²	107	60.6 Å²	60.6	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-47.8	177.3	-155	106.6	17	0	0	110.9	A79 I80 I81 S86 F87 Y184	A79-Q83 WeakPolarHBondContact O-CB 3.21Å; A79-Q83 PolarHBondContact O-N 3.33Å; I80-Q83 WeakPolarHBondContact O-CB 3.3Å; I80-Q83 PolarHBondContact O-N 2.67Å; I81-Q83 VanDerWaalsContact C-N 3.3Å; I81-Q83 PolarHBondContact O-N 3.07Å; Q83-S86 PolarHBondContact O-N 3.42Å; Q83-F87 WeakPolarHBondContact O-CB 3.2Å; Q83-F87 PolarHBondContact O-N 2.87Å; Q83-Y184 VanDerWaalsContact CA-CE2 3.48Å; Q83-Y184 HydrophobicContact CB-CE2 3.85Å; Q83-Y184 HydrophobicContact CG-CE2 4.12Å; Q83-Y184 PolarHBondContact OE1-OH 3.2Å
84	I	55.3	Low	58	Low	93 Å²	93	61.6 Å²	61.6	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-47.8	179.5	-67.3	168.2	0	0	0	110.3	I80 I81 I82 S86 F87 L88	I80-I84 HydrophobicContact CG2-CD1 3.8Å; I80-I84 WeakPolarHBondContact O-CG1 3.43Å; I80-I84 PolarHBondContact O-N 3.03Å; I81-I84 PolarHBondContact O-N 2.9Å; I82-I84 PolarHBondContact O-N 3.15Å; I84-S86 PolarHBondContact O-N 3.38Å; I84-F87 PolarHBondContact O-N 3.15Å; I84-L88 HydrophobicContact CG2-CD1 3.92Å; I84-L88 HydrophobicContact CG2-CG 4.46Å; I84-L88 WeakPolarHBondContact O-CB 3.46Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.44Å
85	V	60.7	Low	57.7	Low	58 Å²	58	66.5 Å²	66.5	35%	0.352	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-44.8	-179.8	172.6	0	0	0	0	110.9	I81 I82 F87 L88 L89 L187	I81-V85 HydrophobicContact CG2-CG2 4.26Å; I81-V85 WeakPolarHBondContact O-CB 3.26Å; I81-V85 VanDerWaalsContact O-CG2 3.27Å; I81-V85 WeakPolarHBondContact O-CG2 3.39Å; I81-V85 PolarHBondContact O-N 3.28Å; I82-V85 PolarHBondContact O-N 3.09Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.28Å; V85-L88 PolarHBondContact O-N 3.48Å; V85-L89 HydrophobicContact CG1-CD1 3.8Å; V85-L89 HydrophobicContact CG1-CG 4.42Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 2.8Å; V85-L187 HydrophobicContact CG1-CD1 3.89Å; V85-L187 HydrophobicContact CG1-CD2 4.42Å
86	S	60.4	Low	57.5	Low	3 Å²	3	67 Å²	67	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-38.6	179.2	-52	0	0	0	0	111.8	I82 Q83 I84 G90 Y184 L187	I82-S86 VanDerWaalsContact O-CB 3.26Å; I82-S86 WeakPolarHBondContact O-CB 3.43Å; I82-S86 PolarHBondContact O-N 3.39Å; I82-S86 PolarHBondContact O-OG 3.45Å; Q83-S86 PolarHBondContact O-N 3.42Å; I84-S86 PolarHBondContact O-N 3.38Å; S86-G90 PolarHBondContact O-N 2.95Å; S86-Y184 VanDerWaalsContact OG-CA 3.24Å; S86-Y184 WeakPolarHBondContact OG-CA 3.03Å; S86-Y184 WeakPolarHBondContact OG-CD2 3.4Å; S86-L187 WeakPolarHBondContact OG-CD1 3.45Å
87	F	56.4	Low	57.5	Low	132 Å²	132	61.8 Å²	61.8	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-65.2	-46.3	175.7	-179	-104.2	0	0	0	111.8	Q83 I84 V85 G90 I91	Q83-F87 WeakPolarHBondContact O-CB 3.2Å; Q83-F87 PolarHBondContact O-N 2.87Å; I84-F87 PolarHBondContact O-N 3.15Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.28Å; F87-G90 PolarHBondContact O-N 2.71Å; F87-I91 HydrophobicContact CD1-CD1 3.77Å; F87-I91 HydrophobicContact CE1-CD1 3.27Å; F87-I91 HydrophobicContact CE1-CG1 4.32Å; F87-I91 HydrophobicContact CE2-CD1 4.29Å; F87-I91 HydrophobicContact CG-CD1 4.47Å; F87-I91 HydrophobicContact CZ-CD1 3.57Å; F87-I91 HydrophobicContact CZ-CG1 4.31Å; F87-I91 WeakPolarHBondContact O-CG1 3.44Å; F87-I91 PolarHBondContact O-N 3.29Å
88	L	60.4	Low	57.3	Low	96 Å²	96	62.2 Å²	62.2	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-62	-46.3	176.8	-74	171.3	0	0	0	111.7	I84 V85 G90 I91 I92	I84-L88 HydrophobicContact CG2-CD1 3.92Å; I84-L88 HydrophobicContact CG2-CG 4.46Å; I84-L88 WeakPolarHBondContact O-CB 3.46Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.44Å; V85-L88 PolarHBondContact O-N 3.48Å; L88-G90 VanDerWaalsContact C-N 3.32Å; L88-G90 PolarHBondContact O-N 3.2Å; L88-I91 PolarHBondContact O-N 2.85Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.3Å
89	L	58.5	Low	56.9	Low	57 Å²	57	67.7 Å²	67.7	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-39.6	175.9	-73.2	171	0	0	0	111.5	V85 I92 A93 L183 L187	V85-L89 HydrophobicContact CG1-CD1 3.8Å; V85-L89 HydrophobicContact CG1-CG 4.42Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 2.8Å; L89-I92 PolarHBondContact O-N 3.2Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 2.98Å; L89-L183 HydrophobicContact CB-CD2 3.53Å; L89-L183 HydrophobicContact CD1-CD2 3.96Å; L89-L183 HydrophobicContact CG-CD2 4.41Å; L89-L187 HydrophobicContact CD1-CD1 4.25Å
90	G	56.4	Low	56.6	Low	2 Å²	2	67.8 Å²	67.8	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-45.7	174	0	0	0	0	0	112.5	S86 F87 L88 A93 I94	S86-G90 PolarHBondContact O-N 2.95Å; F87-G90 PolarHBondContact O-N 2.71Å; L88-G90 VanDerWaalsContact C-N 3.32Å; L88-G90 PolarHBondContact O-N 3.2Å; G90-A93 PolarHBondContact O-N 3.33Å; G90-I94 WeakPolarHBondContact O-CB 3.28Å; G90-I94 VanDerWaalsContact O-CG1 3.23Å; G90-I94 WeakPolarHBondContact O-CG1 3.27Å; G90-I94 PolarHBondContact O-N 3.22Å
91	I	59.2	Low	56.1	Low	66 Å²	66	68.8 Å²	68.8	34%	0.338	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-49.2	174.5	-71.5	169.5	0	0	0	110.8	F87 L88 A93 I94 L95	F87-I91 HydrophobicContact CD1-CD1 3.77Å; F87-I91 HydrophobicContact CE1-CD1 3.27Å; F87-I91 HydrophobicContact CE1-CG1 4.32Å; F87-I91 HydrophobicContact CE2-CD1 4.29Å; F87-I91 HydrophobicContact CG-CD1 4.47Å; F87-I91 HydrophobicContact CZ-CD1 3.57Å; F87-I91 HydrophobicContact CZ-CG1 4.31Å; F87-I91 WeakPolarHBondContact O-CG1 3.44Å; F87-I91 PolarHBondContact O-N 3.29Å; L88-I91 PolarHBondContact O-N 2.85Å; I91-A93 PolarHBondContact O-N 2.88Å; I91-I94 PolarHBondContact O-N 3.44Å; I91-L95 HydrophobicContact CG2-CD1 3.71Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.45Å
92	I	60.8	Low	55.4	Low	89 Å²	89	72.4 Å²	72.4	46%	0.456	38%	0.376	S	S	.	.	H	α-helix	trans	-57.3	-44.1	179.5	-72.4	166.9	0	0	0	110	L88 L89 L95 L96	L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.3Å; L89-I92 PolarHBondContact O-N 3.2Å; I92-L95 PolarHBondContact O-N 2.94Å; I92-L96 HydrophobicContact CG2-CD1 3.61Å; I92-L96 WeakPolarHBondContact O-CB 3.39Å; I92-L96 PolarHBondContact O-N 3.44Å
93	A	57	Low	54.7	Low	6 Å²	6	75.2 Å²	75.2	5%	0.05	39%	0.391	C	S	.	.	H	α-helix	trans	-70.4	-38.8	-178	0	0	0	0	0	112	L89 G90 I91 S97 I151	L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 2.98Å; G90-A93 PolarHBondContact O-N 3.33Å; I91-A93 PolarHBondContact O-N 2.88Å; A93-S97 WeakPolarHBondContact O-CB 3.42Å; A93-S97 PolarHBondContact O-N 3.35Å; A93-I151 HydrophobicContact CB-CB 3.89Å; A93-I151 HydrophobicContact CB-CD1 4.33Å; A93-I151 HydrophobicContact CB-CG2 3.21Å
94	I	55.8	Low	54.4	Low	56 Å²	56	73.6 Å²	73.6	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-44.2	171.1	-69.4	165.9	0	0	0	111.4	G90 I91 S97 N98	G90-I94 WeakPolarHBondContact O-CB 3.28Å; G90-I94 VanDerWaalsContact O-CG1 3.23Å; G90-I94 WeakPolarHBondContact O-CG1 3.27Å; G90-I94 PolarHBondContact O-N 3.22Å; I91-I94 PolarHBondContact O-N 3.44Å; I94-S97 WeakPolarHBondContact O-CB 3.42Å; I94-S97 PolarHBondContact O-N 2.91Å; I94-N98 PolarHBondContact O-N 3.39Å
95	L	58.6	Low	54	Low	110 Å²	110	77.6 Å²	77.6	58%	0.576	41%	0.408	S	S	*	.	H	α-helix	trans	-63.8	-47.5	178.5	-77.1	171.6	0	0	0	111.3	I91 I92 S97 N98 N99	I91-L95 HydrophobicContact CG2-CD1 3.71Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.45Å; I92-L95 PolarHBondContact O-N 2.94Å; L95-S97 VanDerWaalsContact C-N 3.27Å; L95-S97 PolarHBondContact O-N 2.86Å; L95-N98 PolarHBondContact O-N 3.47Å; L95-N99 PolarHBondContact O-N 2.87Å
96	L	53.7	Low	53.5	Low	86 Å²	86	79.1 Å²	79.1	45%	0.45	41%	0.414	S	S	.	.	H	α-helix	trans	-58.9	-44	173.5	-86.3	154.1	0	0	0	110.2	I92 N98 N99 V100 L152	I92-L96 HydrophobicContact CG2-CD1 3.61Å; I92-L96 WeakPolarHBondContact O-CB 3.39Å; I92-L96 PolarHBondContact O-N 3.44Å; L96-N98 PolarHBondContact O-N 3.46Å; L96-N99 PolarHBondContact O-N 3.37Å; L96-N99 VanDerWaalsContact O-N 3.12Å; L96-V100 WeakPolarHBondContact O-CG2 3.18Å; L96-V100 PolarHBondContact O-N 3.37Å; L96-L152 HydrophobicContact CB-CD2 3.57Å; L96-L152 HydrophobicContact CD1-CD2 3.74Å; L96-L152 HydrophobicContact CG-CD2 4.14Å
97	S	51.7	Low	53.4	Low	16 Å²	16	85.3 Å²	85.3	11%	0.112	44%	0.44	C	S	.	.	H	α-helix	trans	-57.1	-45.5	179.1	142.2	0	0	0	0	113.4	A93 I94 L95 N99 P155	A93-S97 WeakPolarHBondContact O-CB 3.42Å; A93-S97 PolarHBondContact O-N 3.35Å; I94-S97 WeakPolarHBondContact O-CB 3.42Å; I94-S97 PolarHBondContact O-N 2.91Å; L95-S97 VanDerWaalsContact C-N 3.27Å; L95-S97 PolarHBondContact O-N 2.86Å; S97-N99 VanDerWaalsContact C-N 3.29Å; S97-N99 PolarHBondContact O-N 3.26Å; S97-P155 VanDerWaalsContact CB-CG 3.5Å; S97-P155 VanDerWaalsContact O-CB 3.3Å; S97-P155 WeakPolarHBondContact O-CB 3.33Å; S97-P155 WeakPolarHBondContact OG-CB 3.47Å
98	N	50.2	Low	53.4	Low	128 Å²	128	81.2 Å²	81.2	68%	0.684	42%	0.423	S	S	*	.	H	α-helix	trans	-71.5	-24.3	179.7	-77.6	-17.7	0	0	0	113.1	I94 L95 L96	I94-N98 PolarHBondContact O-N 3.39Å; L95-N98 PolarHBondContact O-N 3.47Å; L96-N98 PolarHBondContact O-N 3.46Å
99	N	49.6	Very low	53.2	Low	134 Å²	134	82.8 Å²	82.8	72%	0.717	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	5.4	-176.9	-104.4	-7.6	0	0	0	114.4	L95 L96 S97 N101	L95-N99 PolarHBondContact O-N 2.87Å; L96-N99 PolarHBondContact O-N 3.37Å; L96-N99 VanDerWaalsContact O-N 3.12Å; S97-N99 VanDerWaalsContact C-N 3.29Å; S97-N99 PolarHBondContact O-N 3.26Å; N99-N101 PolarHBondContact O-N 2.87Å
100	V	50.2	Low	53.3	Low	16 Å²	16	83.9 Å²	83.9	10%	0.097	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	65.2	179.6	-161.8	0	0	0	0	112.3	L96 I102 I103 P155 I156 R159	L96-V100 WeakPolarHBondContact O-CG2 3.18Å; L96-V100 PolarHBondContact O-N 3.37Å; V100-I102 VanDerWaalsContact C-N 3.32Å; V100-I103 HydrophobicContact CG1-CB 3.34Å; V100-I103 HydrophobicContact CG1-CD1 3.79Å; V100-I103 HydrophobicContact CG1-CG1 3.61Å; V100-I103 HydrophobicContact CG2-CD1 4.29Å; V100-P155 HydrophobicContact CG2-CG 4.41Å; V100-I156 HydrophobicContact CB-CG1 4.4Å; V100-I156 HydrophobicContact CG1-CD1 3.91Å; V100-I156 HydrophobicContact CG1-CG1 3.81Å; V100-R159 PolarHBondContact O-NH1 2.94Å
101	N	45	Very low	53.4	Low	109 Å²	109	84.6 Å²	84.6	58%	0.583	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.4	152.8	-84.3	-22	0	0	0	111.7	N99 S104 R159	N99-N101 PolarHBondContact O-N 2.87Å; N101-S104 PolarHBondContact O-OG 2.92Å; N101-R159 VanDerWaalsContact OD1-CZ 3.29Å; N101-R159 PolarHBondContact OD1-NH1 3.34Å; N101-R159 PolarHBondContact OD1-NH2 2.65Å
102	I	44.9	Very low	53.5	Low	155 Å²	155	84.4 Å²	84.4	80%	0.795	44%	0.436	S	S	*	.	S	Bend	trans	-95.4	-25.2	-165.3	-58.1	171.5	0	0	0	113.2	V100 S104	V100-I102 VanDerWaalsContact C-N 3.32Å; I102-S104 VanDerWaalsContact C-N 3.32Å
103	I	47.4	Very low	53.6	Low	60 Å²	60	87.2 Å²	87.2	31%	0.308	44%	0.441	S	S	.	.	S	Bend	trans	-90.3	3.3	179.8	-46.5	169.1	0	0	0	111.7	V100 Q105 L106 I156	V100-I103 HydrophobicContact CG1-CB 3.34Å; V100-I103 HydrophobicContact CG1-CD1 3.79Å; V100-I103 HydrophobicContact CG1-CG1 3.61Å; V100-I103 HydrophobicContact CG2-CD1 4.29Å; I103-Q105 PolarHBondContact O-N 3.29Å; I103-L106 HydrophobicContact CG2-CB 3.52Å; I103-L106 HydrophobicContact CG2-CD1 4.13Å; I103-L106 HydrophobicContact CG2-CG 4.41Å; I103-L106 PolarHBondContact O-N 3.26Å; I103-I156 HydrophobicContact CB-CD1 3.89Å; I103-I156 HydrophobicContact CG2-CD1 3.69Å
104	S	49.4	Very low	53.9	Low	74 Å²	74	90.2 Å²	90.2	52%	0.517	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-9.7	-178.8	64.1	0	0	0	0	115.1	N101 I102	N101-S104 PolarHBondContact O-OG 2.92Å; I102-S104 VanDerWaalsContact C-N 3.32Å
105	Q	48.7	Very low	54.3	Low	176 Å²	176	89.4 Å²	89.4	82%	0.822	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-8.7	175.8	-70.6	-173.9	-22.8	0	0	114.9	I103 K107	I103-Q105 PolarHBondContact O-N 3.29Å; Q105-K107 VanDerWaalsContact C-N 3.35Å; Q105-K107 PolarHBondContact O-N 2.87Å
106	L	50.3	Low	54.5	Low	90 Å²	90	88.3 Å²	88.3	47%	0.471	45%	0.445	S	S	.	.	S	Bend	trans	-71.2	101.7	169.2	-127.9	142.9	0	0	0	105	I103 Q108 I110	I103-L106 HydrophobicContact CG2-CB 3.52Å; I103-L106 HydrophobicContact CG2-CD1 4.13Å; I103-L106 HydrophobicContact CG2-CG 4.41Å; I103-L106 PolarHBondContact O-N 3.26Å; L106-Q108 PolarHBondContact O-N 3.41Å; L106-I110 HydrophobicContact CD2-CB 4.36Å; L106-I110 HydrophobicContact CD2-CD1 4.43Å; L106-I110 HydrophobicContact CD2-CG2 4.11Å
107	K	57	Low	55	Low	134 Å²	134	91.9 Å²	91.9	58%	0.583	45%	0.453	S	S	*	.			trans	-42.3	120.1	-171.8	-70.9	-176.1	172.8	-169.9	0	108.5	Q105 E109 I110	Q105-K107 VanDerWaalsContact C-N 3.35Å; Q105-K107 PolarHBondContact O-N 2.87Å; K107-E109 HydrophobicContact CB-CB 4.27Å; K107-E109 CarbonylContact O-C 3.53Å; K107-E109 PolarHBondContact O-N 3.28Å; K107-I110 HydrophobicContact CB-CD1 4.2Å; K107-I110 HydrophobicContact CB-CG1 4.19Å; K107-I110 WeakPolarHBondContact O-CB 3.27Å; K107-I110 PolarHBondContact O-N 3.46Å
108	Q	56.3	Low	55.5	Low	46 Å²	46	94.5 Å²	94.5	22%	0.215	46%	0.462	C	S	.	.	H	α-helix	trans	-45.4	-33.4	175.2	-84	174.7	-34.3	0	0	111.4	L106 I110 V111 I112 I156	L106-Q108 PolarHBondContact O-N 3.41Å; Q108-I110 VanDerWaalsContact C-N 3.28Å; Q108-I110 PolarHBondContact O-N 2.88Å; Q108-V111 PolarHBondContact O-N 3.31Å; Q108-I112 HydrophobicContact CB-CD1 4.37Å; Q108-I112 WeakPolarHBondContact O-CB 3.33Å; Q108-I112 VanDerWaalsContact O-CG1 3.22Å; Q108-I112 WeakPolarHBondContact O-CG1 3.39Å; Q108-I112 PolarHBondContact O-N 2.81Å; Q108-I156 HydrophobicContact CG-CG2 3.99Å; Q108-I156 PolarHBondContact NE2-O 2.96Å
109	E	57.1	Low	55.9	Low	128 Å²	128	89.3 Å²	89.3	60%	0.598	44%	0.437	S	S	*	.	H	α-helix	trans	-50.1	-41.9	171.3	-64.2	-177.7	149.1	0	0	114.2	K107 W113	K107-E109 HydrophobicContact CB-CB 4.27Å; K107-E109 CarbonylContact O-C 3.53Å; K107-E109 PolarHBondContact O-N 3.28Å; E109-W113 VanDerWaalsContact O-CB 3.23Å; E109-W113 WeakPolarHBondContact O-CB 3.46Å; E109-W113 PolarHBondContact O-N 3.12Å
110	I	61.1	Low	56.7	Low	80 Å²	80	86.4 Å²	86.4	41%	0.41	42%	0.424	S	S	.	.	H	α-helix	trans	-69.8	-45	179.7	-63.5	171.1	0	0	0	110.3	L106 K107 Q108 W113 I114	L106-I110 HydrophobicContact CD2-CB 4.36Å; L106-I110 HydrophobicContact CD2-CD1 4.43Å; L106-I110 HydrophobicContact CD2-CG2 4.11Å; K107-I110 HydrophobicContact CB-CD1 4.2Å; K107-I110 HydrophobicContact CB-CG1 4.19Å; K107-I110 WeakPolarHBondContact O-CB 3.27Å; K107-I110 PolarHBondContact O-N 3.46Å; Q108-I110 VanDerWaalsContact C-N 3.28Å; Q108-I110 PolarHBondContact O-N 2.88Å; I110-W113 WeakPolarHBondContact O-CB 3.08Å; I110-W113 PolarHBondContact O-N 3.4Å; I110-I114 HydrophobicContact CG2-CD1 3.98Å; I110-I114 VanDerWaalsContact O-CG1 3.27Å; I110-I114 WeakPolarHBondContact O-CG1 3.49Å; I110-I114 PolarHBondContact O-N 3.23Å
111	V	58.2	Low	57.2	Low	18 Å²	18	88.9 Å²	88.9	11%	0.109	44%	0.439	C	S	.	.	H	α-helix	trans	-66.7	-45.1	-179.6	-171.1	0	0	0	0	110.2	Q108 W113 I114 I115 I149 D153	Q108-V111 PolarHBondContact O-N 3.31Å; V111-W113 VanDerWaalsContact C-N 3.29Å; V111-W113 PolarHBondContact O-N 2.85Å; V111-I114 PolarHBondContact O-N 3.39Å; V111-I114 VanDerWaalsContact O-N 3.1Å; V111-I115 HydrophobicContact CG1-CD1 4.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.4Å; V111-I115 PolarHBondContact O-N 3.48Å; V111-I149 HydrophobicContact CG1-CG2 3.74Å; V111-D153 HydrophobicContact CG1-CB 3.86Å; V111-D153 WeakPolarHBondContact CG1-OD2 3.36Å
112	I	61.5	Low	57.7	Low	62 Å²	62	83.7 Å²	83.7	32%	0.318	41%	0.411	S	S	.	.	H	α-helix	trans	-56.9	-43.8	171.7	-67.9	167.7	0	0	0	110.5	Q108 I114 I115 I116 M157	Q108-I112 HydrophobicContact CB-CD1 4.37Å; Q108-I112 WeakPolarHBondContact O-CB 3.33Å; Q108-I112 VanDerWaalsContact O-CG1 3.22Å; Q108-I112 WeakPolarHBondContact O-CG1 3.39Å; Q108-I112 PolarHBondContact O-N 2.81Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.29Å; I112-I115 PolarHBondContact O-N 2.93Å; I112-I116 HydrophobicContact CG2-CD1 3.69Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 WeakPolarHBondContact O-CB 3.47Å; I112-I116 VanDerWaalsContact O-CG1 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.47Å; I112-I116 PolarHBondContact O-N 3.27Å; I112-M157 HydrophobicContact CD1-CE 4.38Å
113	W	62.7	Low	58.3	Low	148 Å²	148	80.3 Å²	80.3	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-60.4	-40.5	176.2	-111.3	99.9	0	0	0	112.9	E109 I110 V111 R117	E109-W113 VanDerWaalsContact O-CB 3.23Å; E109-W113 WeakPolarHBondContact O-CB 3.46Å; E109-W113 PolarHBondContact O-N 3.12Å; I110-W113 WeakPolarHBondContact O-CB 3.08Å; I110-W113 PolarHBondContact O-N 3.4Å; V111-W113 VanDerWaalsContact C-N 3.29Å; V111-W113 PolarHBondContact O-N 2.85Å; W113-R117 HydrophobicContact CE3-CG 3.9Å; W113-R117 HydrophobicContact CZ3-CG 4.02Å; W113-R117 WeakPolarHBondContact O-CG 3.21Å; W113-R117 PolarHBondContact O-N 3Å
114	I	62.9	Low	59.1	Low	68 Å²	68	81.7 Å²	81.7	35%	0.349	40%	0.401	S	S	.	.	H	α-helix	trans	-66.6	-46.5	177.3	-67	165.9	0	0	0	109.7	I110 V111 I112 I116 R117 F118 I149	I110-I114 HydrophobicContact CG2-CD1 3.98Å; I110-I114 VanDerWaalsContact O-CG1 3.27Å; I110-I114 WeakPolarHBondContact O-CG1 3.49Å; I110-I114 PolarHBondContact O-N 3.23Å; V111-I114 PolarHBondContact O-N 3.39Å; V111-I114 VanDerWaalsContact O-N 3.1Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.29Å; I114-I116 VanDerWaalsContact C-N 3.34Å; I114-I116 PolarHBondContact O-N 3.47Å; I114-R117 PolarHBondContact O-N 3.43Å; I114-F118 HydrophobicContact CG2-CD2 3.69Å; I114-F118 HydrophobicContact CG2-CE2 3.81Å; I114-F118 WeakPolarHBondContact O-CD2 3.4Å; I114-F118 PolarHBondContact O-N 3.48Å; I114-I149 HydrophobicContact CG2-CD1 3.73Å
115	I	63.8	Low	59.3	Low	39 Å²	39	78.4 Å²	78.4	20%	0.2	38%	0.378	C	S	.	.	H	α-helix	trans	-56	-49.2	175.7	-68.3	170.5	0	0	0	110.4	V111 I112 R117 F118 A119 V146 I149	V111-I115 HydrophobicContact CG1-CD1 4.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.4Å; V111-I115 PolarHBondContact O-N 3.48Å; I112-I115 PolarHBondContact O-N 2.93Å; I115-R117 VanDerWaalsContact C-N 3.35Å; I115-R117 PolarHBondContact O-N 2.92Å; I115-F118 PolarHBondContact O-N 2.96Å; I115-A119 VanDerWaalsContact O-CB 3.29Å; I115-A119 WeakPolarHBondContact O-CB 3.39Å; I115-A119 PolarHBondContact O-N 3.38Å; I115-V146 HydrophobicContact CG2-CG1 4.29Å; I115-I149 HydrophobicContact CD1-CG2 3.92Å; I115-I149 HydrophobicContact CG1-CB 4.22Å; I115-I149 HydrophobicContact CG1-CG2 3.48Å; I115-I149 VanDerWaalsContact CG1-CG2 3.48Å
116	I	63.8	Low	59.5	Low	87 Å²	87	74.7 Å²	74.7	45%	0.446	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-44.4	180	-70	169.1	0	0	0	110.7	I112 I114 A119 V120	I112-I116 HydrophobicContact CG2-CD1 3.69Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 WeakPolarHBondContact O-CB 3.47Å; I112-I116 VanDerWaalsContact O-CG1 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.47Å; I112-I116 PolarHBondContact O-N 3.27Å; I114-I116 VanDerWaalsContact C-N 3.34Å; I114-I116 PolarHBondContact O-N 3.47Å; I116-A119 PolarHBondContact O-N 3.44Å; I116-V120 HydrophobicContact CG2-CG2 4.22Å; I116-V120 WeakPolarHBondContact O-CB 3.36Å; I116-V120 VanDerWaalsContact O-CG2 3.25Å; I116-V120 WeakPolarHBondContact O-CG2 3.46Å; I116-V120 PolarHBondContact O-N 2.92Å
117	R	63.3	Low	59.9	Low	161 Å²	161	74.8 Å²	74.8	61%	0.608	36%	0.363	S	S	*	.	H	α-helix	trans	-61.8	-46.8	177.8	-76.6	-177	-173.3	-155	2.9	111.7	W113 I114 I115 A119 V120 V121	W113-R117 HydrophobicContact CE3-CG 3.9Å; W113-R117 HydrophobicContact CZ3-CG 4.02Å; W113-R117 WeakPolarHBondContact O-CG 3.21Å; W113-R117 PolarHBondContact O-N 3Å; I114-R117 PolarHBondContact O-N 3.43Å; I115-R117 VanDerWaalsContact C-N 3.35Å; I115-R117 PolarHBondContact O-N 2.92Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-A119 PolarHBondContact O-N 3.48Å; R117-V120 PolarHBondContact O-N 3.42Å; R117-V121 WeakPolarHBondContact O-CB 3.5Å; R117-V121 VanDerWaalsContact O-CG2 3.23Å; R117-V121 WeakPolarHBondContact O-CG2 3.41Å; R117-V121 PolarHBondContact O-N 3.45Å
118	F	62	Low	59.8	Low	71 Å²	71	71 Å²	71	31%	0.311	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-37.2	177.9	-86.9	-79.7	0	0	0	112.3	I114 I115 G122 C142 C145 V146 I149	I114-F118 HydrophobicContact CG2-CD2 3.69Å; I114-F118 HydrophobicContact CG2-CE2 3.81Å; I114-F118 WeakPolarHBondContact O-CD2 3.4Å; I114-F118 PolarHBondContact O-N 3.48Å; I115-F118 PolarHBondContact O-N 2.96Å; F118-G122 PolarHBondContact O-N 3.27Å; F118-C142 HydrophobicContact CD1-CB 4.32Å; F118-C145 HydrophobicContact CD1-CB 3.85Å; F118-C145 HydrophobicContact CE1-CB 3.85Å; F118-C145 HydrophobicContact CG-CB 4.36Å; F118-C145 HydrophobicContact CZ-CB 4.35Å; F118-V146 HydrophobicContact CB-CG2 3.52Å; F118-I149 HydrophobicContact CD2-CD1 4.17Å; F118-I149 HydrophobicContact CE2-CD1 4.34Å
119	A	57.9	Low	59.6	Low	20 Å²	20	70.4 Å²	70.4	17%	0.165	35%	0.349	C	S	.	.	H	α-helix	trans	-65.7	-45	175.2	0	0	0	0	0	111.8	I115 I116 R117 G122 I123 V146	I115-A119 VanDerWaalsContact O-CB 3.29Å; I115-A119 WeakPolarHBondContact O-CB 3.39Å; I115-A119 PolarHBondContact O-N 3.38Å; I116-A119 PolarHBondContact O-N 3.44Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-A119 PolarHBondContact O-N 3.48Å; A119-G122 PolarHBondContact O-N 2.9Å; A119-I123 VanDerWaalsContact O-CG1 3.31Å; A119-I123 WeakPolarHBondContact O-CG1 3.11Å; A119-I123 PolarHBondContact O-N 2.91Å; A119-V146 HydrophobicContact CB-CG2 4.33Å
120	V	66.4	Low	59.5	Low	73 Å²	73	70.8 Å²	70.8	44%	0.442	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-47.7	176.6	169.7	0	0	0	0	110.8	I116 R117 G122 I123 I124	I116-V120 HydrophobicContact CG2-CG2 4.22Å; I116-V120 WeakPolarHBondContact O-CB 3.36Å; I116-V120 VanDerWaalsContact O-CG2 3.25Å; I116-V120 WeakPolarHBondContact O-CG2 3.46Å; I116-V120 PolarHBondContact O-N 2.92Å; R117-V120 PolarHBondContact O-N 3.42Å; V120-G122 VanDerWaalsContact C-N 3.27Å; V120-G122 PolarHBondContact O-N 2.89Å; V120-I123 PolarHBondContact O-N 2.95Å; V120-I124 HydrophobicContact CG1-CD1 3.71Å; V120-I124 HydrophobicContact CG1-CG1 4.42Å; V120-I124 WeakPolarHBondContact O-CB 3.37Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.36Å; V120-I124 PolarHBondContact O-N 3.25Å
121	V	60.8	Low	59.6	Low	67 Å²	67	73.9 Å²	73.9	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-38.2	176.2	176	0	0	0	0	110.8	R117 S125 C142	R117-V121 WeakPolarHBondContact O-CB 3.5Å; R117-V121 VanDerWaalsContact O-CG2 3.23Å; R117-V121 WeakPolarHBondContact O-CG2 3.41Å; R117-V121 PolarHBondContact O-N 3.45Å; V121-S125 WeakPolarHBondContact O-CB 3.2Å; V121-S125 PolarHBondContact O-N 3.3Å; V121-S125 PolarHBondContact O-OG 3.3Å; V121-C142 VanDerWaalsContact CG1-SG 3.6Å
122	G	55.8	Low	59.4	Low	0 Å²	0	80.2 Å²	80.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-44.1	175.1	0	0	0	0	0	113	F118 A119 V120 S125 L126	F118-G122 PolarHBondContact O-N 3.27Å; A119-G122 PolarHBondContact O-N 2.9Å; V120-G122 VanDerWaalsContact C-N 3.27Å; V120-G122 PolarHBondContact O-N 2.89Å; G122-S125 PolarHBondContact O-N 2.97Å; G122-L126 WeakPolarHBondContact O-CB 3.34Å; G122-L126 PolarHBondContact O-N 3.5Å
123	I	58	Low	59	Low	84 Å²	84	83.2 Å²	83.2	43%	0.431	40%	0.395	S	S	.	.	H	α-helix	trans	-66.8	-45.6	176.4	-69.7	169.9	0	0	0	111.1	A119 V120 S125 L126 I127 W143	A119-I123 VanDerWaalsContact O-CG1 3.31Å; A119-I123 WeakPolarHBondContact O-CG1 3.11Å; A119-I123 PolarHBondContact O-N 2.91Å; V120-I123 PolarHBondContact O-N 2.95Å; I123-S125 VanDerWaalsContact C-N 3.3Å; I123-S125 PolarHBondContact O-N 2.7Å; I123-L126 WeakPolarHBondContact O-CB 3.26Å; I123-L126 PolarHBondContact O-N 3.41Å; I123-I127 HydrophobicContact CG2-CD1 4.22Å; I123-I127 WeakPolarHBondContact O-CG1 3.3Å; I123-I127 PolarHBondContact O-N 2.95Å; I123-W143 HydrophobicContact CG1-CZ2 4.04Å
124	I	63.6	Low	58.7	Low	89 Å²	89	81 Å²	81	46%	0.456	40%	0.397	S	S	.	.	H	α-helix	trans	-60.6	-45.1	176.9	-67.7	167.9	0	0	0	109.7	V120 L126 I127 L128	V120-I124 HydrophobicContact CG1-CD1 3.71Å; V120-I124 HydrophobicContact CG1-CG1 4.42Å; V120-I124 WeakPolarHBondContact O-CB 3.37Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.36Å; V120-I124 PolarHBondContact O-N 3.25Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 2.95Å; I124-I127 PolarHBondContact O-N 3.29Å; I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.37Å; I124-L128 WeakPolarHBondContact O-CB 3.25Å; I124-L128 VanDerWaalsContact O-CG 3.3Å; I124-L128 WeakPolarHBondContact O-CG 3.4Å; I124-L128 PolarHBondContact O-N 3.4Å
125	S	53.8	Low	58.3	Low	6 Å²	6	80.8 Å²	80.8	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-63.9	-35.7	177.3	-59.3	0	0	0	0	111.8	V121 G122 I123 L128 T129 F135 I138 T139	V121-S125 WeakPolarHBondContact O-CB 3.2Å; V121-S125 PolarHBondContact O-N 3.3Å; V121-S125 PolarHBondContact O-OG 3.3Å; G122-S125 PolarHBondContact O-N 2.97Å; I123-S125 VanDerWaalsContact C-N 3.3Å; I123-S125 PolarHBondContact O-N 2.7Å; S125-L128 CarbonylContact O-C 3.58Å; S125-L128 PolarHBondContact O-N 2.93Å; S125-T129 PolarHBondContact O-N 3.41Å; S125-T129 PolarHBondContact O-OG1 3.13Å; S125-F135 WeakPolarHBondContact O-CB 3.39Å; S125-I138 WeakPolarHBondContact OG-CG2 3.2Å; S125-T139 WeakPolarHBondContact CB-OG1 3.01Å; S125-T139 PolarHBondContact O-OG1 3.32Å
126	L	54.2	Low	57.5	Low	98 Å²	98	79.1 Å²	79.1	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-61.5	-47.9	175	-174.2	91.7	0	0	0	110.7	G122 I123 I124 L128 T129 T139	G122-L126 WeakPolarHBondContact O-CB 3.34Å; G122-L126 PolarHBondContact O-N 3.5Å; I123-L126 WeakPolarHBondContact O-CB 3.26Å; I123-L126 PolarHBondContact O-N 3.41Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 2.95Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.49Å; L126-T129 VanDerWaalsContact O-CB 3.27Å; L126-T129 WeakPolarHBondContact O-CB 3.22Å; L126-T129 PolarHBondContact O-N 3.1Å; L126-T129 VanDerWaalsContact O-N 3.15Å; L126-T139 HydrophobicContact CB-CG2 3.9Å; L126-T139 HydrophobicContact CD1-CG2 3.83Å; L126-T139 PolarHBondContact N-OG1 3.42Å; L126-T139 VanDerWaalsContact N-OG1 3.07Å
127	I	58.5	Low	56.8	Low	91 Å²	91	76.8 Å²	76.8	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-61.3	-45.2	176.7	-64	166.7	0	0	0	110	I123 I124 T129 I130	I123-I127 HydrophobicContact CG2-CD1 4.22Å; I123-I127 WeakPolarHBondContact O-CG1 3.3Å; I123-I127 PolarHBondContact O-N 2.95Å; I124-I127 PolarHBondContact O-N 3.29Å; I127-T129 PolarHBondContact O-N 3.13Å; I127-I130 VanDerWaalsContact O-CB 3.3Å; I127-I130 WeakPolarHBondContact O-CB 3.5Å; I127-I130 WeakPolarHBondContact O-CG1 3.34Å; I127-I130 PolarHBondContact O-N 2.99Å
128	L	53.4	Low	56.4	Low	54 Å²	54	72.4 Å²	72.4	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-24.7	178.3	-69	174.6	0	0	0	112.8	I124 S125 L126 I130 F131 Y132 F135	I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.37Å; I124-L128 WeakPolarHBondContact O-CB 3.25Å; I124-L128 VanDerWaalsContact O-CG 3.3Å; I124-L128 WeakPolarHBondContact O-CG 3.4Å; I124-L128 PolarHBondContact O-N 3.4Å; S125-L128 CarbonylContact O-C 3.58Å; S125-L128 PolarHBondContact O-N 2.93Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.49Å; L128-I130 PolarHBondContact O-N 3.31Å; L128-F131 PolarHBondContact O-N 3.43Å; L128-Y132 PolarHBondContact O-N 2.65Å; L128-F135 HydrophobicContact CB-CB 3.92Å; L128-F135 HydrophobicContact CB-CD1 3.99Å; L128-F135 HydrophobicContact CB-CD2 3.87Å; L128-F135 HydrophobicContact CB-CE1 4.49Å; L128-F135 HydrophobicContact CB-CE2 4.35Å; L128-F135 HydrophobicContact CB-CG 3.65Å; L128-F135 HydrophobicContact CD1-CD1 3.76Å; L128-F135 HydrophobicContact CD1-CE1 3.61Å; L128-F135 HydrophobicContact CD1-CE2 4.43Å; L128-F135 HydrophobicContact CD1-CG 4.26Å; L128-F135 HydrophobicContact CD1-CZ 3.95Å
129	T	53.8	Low	56.1	Low	35 Å²	35	69.5 Å²	69.5	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-63	-27.9	176.6	-57.5	0	0	0	0	111.9	S125 L126 I127 F131 Y132 F135 G136 T139 F193	S125-T129 PolarHBondContact O-N 3.41Å; S125-T129 PolarHBondContact O-OG1 3.13Å; L126-T129 VanDerWaalsContact O-CB 3.27Å; L126-T129 WeakPolarHBondContact O-CB 3.22Å; L126-T129 PolarHBondContact O-N 3.1Å; L126-T129 VanDerWaalsContact O-N 3.15Å; I127-T129 PolarHBondContact O-N 3.13Å; T129-F131 PolarHBondContact O-N 3.38Å; T129-Y132 WeakPolarHBondContact CA-O 3.5Å; T129-F135 PolarHBondContact OG1-O 2.96Å; T129-G136 VanDerWaalsContact OG1-CA 3.31Å; T129-G136 WeakPolarHBondContact OG1-CA 3.44Å; T129-G136 PolarHBondContact OG1-N 3.45Å; T129-G136 VanDerWaalsContact OG1-N 3.09Å; T129-T139 PolarHBondContact OG1-OG1 3.49Å; T129-F193 HydrophobicContact CG2-CE2 4.3Å; T129-F193 HydrophobicContact CG2-CZ 4.44Å
130	I	54.9	Low	56.1	Low	135 Å²	135	69.2 Å²	69.2	69%	0.692	35%	0.351	S	S	*	.	H	α-helix	trans	-59.5	-38.5	173.7	-59.2	174	0	0	0	110.4	I127 L128	I127-I130 VanDerWaalsContact O-CB 3.3Å; I127-I130 WeakPolarHBondContact O-CB 3.5Å; I127-I130 WeakPolarHBondContact O-CG1 3.34Å; I127-I130 PolarHBondContact O-N 2.99Å; L128-I130 PolarHBondContact O-N 3.31Å
131	F	61.8	Low	55.8	Low	146 Å²	146	70 Å²	70	64%	0.64	36%	0.355	S	S	*	.	H	α-helix	trans	-95.4	-34.5	-176.3	-58	-77	0	0	0	112.8	L128 T129	L128-F131 PolarHBondContact O-N 3.43Å; T129-F131 PolarHBondContact O-N 3.38Å
132	Y	55.6	Low	55.8	Low	150 Å²	150	67.2 Å²	67.2	59%	0.588	34%	0.339	S	S	*	.			trans	-140.8	109	-166.9	-63.2	-70.2	0	0	0	110.6	L128 T129 V134 F135	L128-Y132 PolarHBondContact O-N 2.65Å; T129-Y132 WeakPolarHBondContact CA-O 3.5Å; Y132-V134 VanDerWaalsContact C-N 3.26Å; Y132-V134 PolarHBondContact O-N 2.94Å; Y132-V134 VanDerWaalsContact O-N 3.13Å; Y132-F135 VanDerWaalsContact CB-CD2 3.46Å; Y132-F135 HydrophobicContact CD2-CE2 4.23Å; Y132-F135 HydrophobicContact CG-CD2 4.38Å; Y132-F135 HydrophobicContact CG-CE2 4.19Å; Y132-F135 PolarHBondContact O-N 2.95Å; Y132-F135 VanDerWaalsContact O-N 3.13Å
133	R	51.9	Low	55.9	Low	126 Å²	126	70 Å²	70	48%	0.475	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32	-175.2	-70.2	-178.2	-177.6	176.4	1.9	114.3	F135 G136 F193 N200	R133-F135 PolarHBondContact O-N 3.35Å; R133-F135 VanDerWaalsContact O-N 3.1Å; R133-G136 PolarHBondContact O-N 2.94Å; R133-F193 HydrophobicContact CB-CZ 4.06Å; R133-F193 WeakPolarHBondContact O-CE1 3.36Å; R133-F193 WeakPolarHBondContact O-CZ 3.43Å; R133-N200 PolarHBondContact NH1-ND2 3.35Å; R133-N200 VanDerWaalsContact NH1-ND2 3.11Å
134	V	57	Low	56.1	Low	101 Å²	101	66.7 Å²	66.7	61%	0.612	33%	0.334	S	S	*	.	H	α-helix	trans	-57	-30.2	-179.8	168.7	0	0	0	0	112.5	Y132 G136 S137	Y132-V134 VanDerWaalsContact C-N 3.26Å; Y132-V134 PolarHBondContact O-N 2.94Å; Y132-V134 VanDerWaalsContact O-N 3.13Å; V134-G136 PolarHBondContact O-N 2.97Å; V134-S137 PolarHBondContact O-N 3.49Å
135	F	53.5	Low	56	Low	63 Å²	63	64.3 Å²	64.3	28%	0.276	32%	0.324	S	S	.	.	H	α-helix	trans	-72.6	-14.1	179.1	-66.7	-87.6	0	0	0	113.6	S125 L128 T129 Y132 R133 I138 T139	S125-F135 WeakPolarHBondContact O-CB 3.39Å; L128-F135 HydrophobicContact CB-CB 3.92Å; L128-F135 HydrophobicContact CB-CD1 3.99Å; L128-F135 HydrophobicContact CB-CD2 3.87Å; L128-F135 HydrophobicContact CB-CE1 4.49Å; L128-F135 HydrophobicContact CB-CE2 4.35Å; L128-F135 HydrophobicContact CB-CG 3.65Å; L128-F135 HydrophobicContact CD1-CD1 3.76Å; L128-F135 HydrophobicContact CD1-CE1 3.61Å; L128-F135 HydrophobicContact CD1-CE2 4.43Å; L128-F135 HydrophobicContact CD1-CG 4.26Å; L128-F135 HydrophobicContact CD1-CZ 3.95Å; T129-F135 PolarHBondContact OG1-O 2.96Å; Y132-F135 VanDerWaalsContact CB-CD2 3.46Å; Y132-F135 HydrophobicContact CD2-CE2 4.23Å; Y132-F135 HydrophobicContact CG-CD2 4.38Å; Y132-F135 HydrophobicContact CG-CE2 4.19Å; Y132-F135 PolarHBondContact O-N 2.95Å; Y132-F135 VanDerWaalsContact O-N 3.13Å; R133-F135 PolarHBondContact O-N 3.35Å; R133-F135 VanDerWaalsContact O-N 3.1Å; F135-I138 HydrophobicContact CD1-CD1 3.95Å; F135-I138 HydrophobicContact CE1-CD1 4.33Å; F135-I138 PolarHBondContact O-N 2.88Å; F135-T139 WeakPolarHBondContact O-CB 3.23Å; F135-T139 PolarHBondContact O-N 3.04Å; F135-T139 PolarHBondContact O-OG1 2.86Å
136	G	47.1	Very low	56.4	Low	5 Å²	5	64.7 Å²	64.7	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-42.7	174.5	0	0	0	0	0	111.8	T129 R133 V134 I138 T139 C140	T129-G136 VanDerWaalsContact OG1-CA 3.31Å; T129-G136 WeakPolarHBondContact OG1-CA 3.44Å; T129-G136 PolarHBondContact OG1-N 3.45Å; T129-G136 VanDerWaalsContact OG1-N 3.09Å; R133-G136 PolarHBondContact O-N 2.94Å; V134-G136 PolarHBondContact O-N 2.97Å; G136-I138 PolarHBondContact O-N 2.81Å; G136-T139 WeakPolarHBondContact O-CB 3.38Å; G136-T139 PolarHBondContact O-N 2.85Å; G136-C140 PolarHBondContact O-N 3.28Å
137	S	50.1	Low	56.8	Low	38 Å²	38	60.5 Å²	60.5	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-41.3	175.2	-47.3	0	0	0	0	111.9	V134 T139 C140 V141	V134-S137 PolarHBondContact O-N 3.49Å; S137-T139 VanDerWaalsContact C-N 3.34Å; S137-C140 PolarHBondContact O-N 2.9Å; S137-V141 WeakPolarHBondContact O-CG2 3.45Å; S137-V141 PolarHBondContact O-N 3.38Å
138	I	54.1	Low	57	Low	69 Å²	69	58.9 Å²	58.9	35%	0.354	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-42.1	178.1	-59.5	175.1	0	0	0	110.1	S125 F135 G136 V141 C142	S125-I138 WeakPolarHBondContact OG-CG2 3.2Å; F135-I138 HydrophobicContact CD1-CD1 3.95Å; F135-I138 HydrophobicContact CE1-CD1 4.33Å; F135-I138 PolarHBondContact O-N 2.88Å; G136-I138 PolarHBondContact O-N 2.81Å; I138-V141 PolarHBondContact O-N 3.33Å; I138-C142 WeakPolarHBondContact O-CB 3.39Å; I138-C142 PolarHBondContact O-N 2.98Å; I138-C142 PolarHBondContact O-SG 2.66Å; I138-C142 VanDerWaalsContact O-SG 3.38Å
139	T	56.3	Low	57.5	Low	10 Å²	10	57.8 Å²	57.8	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-52.3	174.8	-56	0	0	0	0	110.7	S125 L126 T129 F135 G136 S137 V141 C142 W143	S125-T139 WeakPolarHBondContact CB-OG1 3.01Å; S125-T139 PolarHBondContact O-OG1 3.32Å; L126-T139 HydrophobicContact CB-CG2 3.9Å; L126-T139 HydrophobicContact CD1-CG2 3.83Å; L126-T139 PolarHBondContact N-OG1 3.42Å; L126-T139 VanDerWaalsContact N-OG1 3.07Å; T129-T139 PolarHBondContact OG1-OG1 3.49Å; F135-T139 WeakPolarHBondContact O-CB 3.23Å; F135-T139 PolarHBondContact O-N 3.04Å; F135-T139 PolarHBondContact O-OG1 2.86Å; G136-T139 WeakPolarHBondContact O-CB 3.38Å; G136-T139 PolarHBondContact O-N 2.85Å; S137-T139 VanDerWaalsContact C-N 3.34Å; T139-V141 PolarHBondContact O-N 3.28Å; T139-C142 PolarHBondContact O-N 2.87Å; T139-W143 PolarHBondContact O-N 3.35Å
140	C	57	Low	57.9	Low	14 Å²	14	57.3 Å²	57.3	10%	0.095	29%	0.291	C	S	.	.	H	α-helix	trans	-58	-47	178	-91.5	0	0	0	0	112.8	G136 S137 W143 C144 S190	G136-C140 PolarHBondContact O-N 3.28Å; S137-C140 PolarHBondContact O-N 2.9Å; C140-W143 PolarHBondContact O-N 3.42Å; C140-C144 WeakPolarHBondContact O-CB 3.28Å; C140-C144 PolarHBondContact O-N 3.42Å; C140-C144 PolarHBondContact O-SG 2.68Å; C140-C144 VanDerWaalsContact O-SG 3.35Å; C140-S190 VanDerWaalsContact CB-OG 3.28Å; C140-S190 WeakPolarHBondContact CB-OG 2.95Å; C140-S190 PolarHBondContact SG-N 3.33Å; C140-S190 VanDerWaalsContact SG-N 3.43Å
141	V	61.3	Low	58.4	Low	89 Å²	89	51 Å²	51	54%	0.539	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-45.8	177.7	172.7	0	0	0	0	111.1	S137 I138 T139 W143 C144 C145	S137-V141 WeakPolarHBondContact O-CG2 3.45Å; S137-V141 PolarHBondContact O-N 3.38Å; I138-V141 PolarHBondContact O-N 3.33Å; T139-V141 PolarHBondContact O-N 3.28Å; V141-W143 PolarHBondContact O-N 3.36Å; V141-C144 PolarHBondContact O-N 2.93Å; V141-C145 PolarHBondContact O-N 3.17Å; V141-C145 PolarHBondContact O-SG 3.29Å
142	C	60.2	Low	58.3	Low	9 Å²	9	46.6 Å²	46.6	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-45.9	177.9	-77	0	0	0	0	111.7	F118 V121 I138 T139 C145 V146	F118-C142 HydrophobicContact CD1-CB 4.32Å; V121-C142 VanDerWaalsContact CG1-SG 3.6Å; I138-C142 WeakPolarHBondContact O-CB 3.39Å; I138-C142 PolarHBondContact O-N 2.98Å; I138-C142 PolarHBondContact O-SG 2.66Å; I138-C142 VanDerWaalsContact O-SG 3.38Å; T139-C142 PolarHBondContact O-N 2.87Å; C142-C145 WeakPolarHBondContact O-CB 3.46Å; C142-C145 PolarHBondContact O-N 2.87Å; C142-V146 WeakPolarHBondContact O-CG2 3.33Å; C142-V146 PolarHBondContact O-N 2.92Å
143	W	57.2	Low	58.6	Low	57 Å²	57	39.6 Å²	39.6	22%	0.216	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-37.7	179	-77.6	110	0	0	0	112.9	F33 I123 T139 C140 V141 C145 V146 V147 L186	F33-W143 HydrophobicContact CZ-CZ3 4.31Å; I123-W143 HydrophobicContact CG1-CZ2 4.04Å; T139-W143 PolarHBondContact O-N 3.35Å; C140-W143 PolarHBondContact O-N 3.42Å; V141-W143 PolarHBondContact O-N 3.36Å; W143-C145 VanDerWaalsContact C-N 3.29Å; W143-C145 PolarHBondContact O-N 2.93Å; W143-V146 HydrophobicContact CE3-CB 4.34Å; W143-V146 HydrophobicContact CE3-CG1 4.34Å; W143-V146 HydrophobicContact CZ3-CG1 4.42Å; W143-V146 PolarHBondContact O-N 2.91Å; W143-V147 WeakPolarHBondContact O-CG2 3.43Å; W143-V147 PolarHBondContact O-N 3.37Å; W143-L186 HydrophobicContact CB-CD1 3.89Å; W143-L186 HydrophobicContact CB-CD2 3.41Å; W143-L186 VanDerWaalsContact CB-CD2 3.41Å; W143-L186 HydrophobicContact CB-CG 4.29Å; W143-L186 HydrophobicContact CG-CD2 4.23Å; W143-L186 WeakPolarHBondContact O-CD1 3.48Å
144	C	62.8	Low	58.9	Low	16 Å²	16	34.3 Å²	34.3	11%	0.108	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-44.8	170.2	-78.3	0	0	0	0	110.8	C140 V141 V147 I148	C140-C144 WeakPolarHBondContact O-CB 3.28Å; C140-C144 PolarHBondContact O-N 3.42Å; C140-C144 PolarHBondContact O-SG 2.68Å; C140-C144 VanDerWaalsContact O-SG 3.35Å; V141-C144 PolarHBondContact O-N 2.93Å; C144-V147 PolarHBondContact O-N 3.49Å; C144-I148 WeakPolarHBondContact O-CB 3.32Å; C144-I148 WeakPolarHBondContact O-CG1 3.23Å; C144-I148 PolarHBondContact O-N 2.86Å
145	C	62.3	Low	58.7	Low	38 Å²	38	30.6 Å²	30.6	26%	0.257	17%	0.173	S	C	.	.	H	α-helix	trans	-63.1	-42.9	175.1	-68.7	0	0	0	0	112.1	F118 V141 C142 W143 V147 I148 I149	F118-C145 HydrophobicContact CD1-CB 3.85Å; F118-C145 HydrophobicContact CE1-CB 3.85Å; F118-C145 HydrophobicContact CG-CB 4.36Å; F118-C145 HydrophobicContact CZ-CB 4.35Å; V141-C145 PolarHBondContact O-N 3.17Å; V141-C145 PolarHBondContact O-SG 3.29Å; C142-C145 WeakPolarHBondContact O-CB 3.46Å; C142-C145 PolarHBondContact O-N 2.87Å; W143-C145 VanDerWaalsContact C-N 3.29Å; W143-C145 PolarHBondContact O-N 2.93Å; C145-V147 VanDerWaalsContact C-N 3.35Å; C145-V147 PolarHBondContact O-N 2.94Å; C145-I148 PolarHBondContact O-N 2.91Å; C145-I149 WeakPolarHBondContact O-CB 3.33Å; C145-I149 WeakPolarHBondContact O-CD1 3.47Å; C145-I149 WeakPolarHBondContact O-CG1 3.39Å; C145-I149 PolarHBondContact O-N 3.11Å
146	V	61.3	Low	58.7	Low	15 Å²	15	28.5 Å²	28.5	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-47.6	175.2	170.4	0	0	0	0	110.8	I115 F118 A119 C142 W143 I149 A150	I115-V146 HydrophobicContact CG2-CG1 4.29Å; F118-V146 HydrophobicContact CB-CG2 3.52Å; A119-V146 HydrophobicContact CB-CG2 4.33Å; C142-V146 WeakPolarHBondContact O-CG2 3.33Å; C142-V146 PolarHBondContact O-N 2.92Å; W143-V146 HydrophobicContact CE3-CB 4.34Å; W143-V146 HydrophobicContact CE3-CG1 4.34Å; W143-V146 HydrophobicContact CZ3-CG1 4.42Å; W143-V146 PolarHBondContact O-N 2.91Å; V146-I149 PolarHBondContact O-N 3.25Å; V146-A150 VanDerWaalsContact O-CB 3.28Å; V146-A150 WeakPolarHBondContact O-CB 3.25Å; V146-A150 PolarHBondContact O-N 3.41Å
147	V	63.1	Low	58.9	Low	9 Å²	9	33.3 Å²	33.3	6%	0.055	19%	0.187	C	C	.	.	H	α-helix	trans	-69.4	-40.7	-178.5	173.5	0	0	0	0	111.4	W143 C144 C145 I149 A150 I151 L182 L183 L186	W143-V147 WeakPolarHBondContact O-CG2 3.43Å; W143-V147 PolarHBondContact O-N 3.37Å; C144-V147 PolarHBondContact O-N 3.49Å; C145-V147 VanDerWaalsContact C-N 3.35Å; C145-V147 PolarHBondContact O-N 2.94Å; V147-I149 VanDerWaalsContact C-N 3.34Å; V147-I149 PolarHBondContact O-N 2.83Å; V147-A150 PolarHBondContact O-N 3.31Å; V147-I151 HydrophobicContact CG1-CD1 4Å; V147-I151 HydrophobicContact CG1-CG1 4.41Å; V147-I151 WeakPolarHBondContact O-CD1 3.42Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.44Å; V147-L182 HydrophobicContact CG1-CB 4.1Å; V147-L182 HydrophobicContact CG2-CB 4.25Å; V147-L182 HydrophobicContact CG2-CD2 4.09Å; V147-L183 HydrophobicContact CG1-CB 3.99Å; V147-L183 HydrophobicContact CG1-CD1 4.22Å; V147-L186 HydrophobicContact CB-CD1 4.08Å; V147-L186 HydrophobicContact CG2-CD1 3.42Å; V147-L186 VanDerWaalsContact CG2-CD1 3.42Å
148	I	63.4	Low	58.9	Low	58 Å²	58	32.8 Å²	32.8	30%	0.297	18%	0.181	S	C	.	.	H	α-helix	trans	-60.9	-45.5	174.6	-70	167.1	0	0	0	110.6	C144 C145 A150 I151 L152 L183	C144-I148 WeakPolarHBondContact O-CB 3.32Å; C144-I148 WeakPolarHBondContact O-CG1 3.23Å; C144-I148 PolarHBondContact O-N 2.86Å; C145-I148 PolarHBondContact O-N 2.91Å; I148-A150 VanDerWaalsContact C-N 3.34Å; I148-I151 PolarHBondContact O-N 3.02Å; I148-L152 HydrophobicContact CG2-CD1 4.03Å; I148-L152 VanDerWaalsContact O-CG 3.26Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.12Å; I148-L183 HydrophobicContact CD1-CD1 4.2Å; I148-L183 HydrophobicContact CG1-CD1 3.67Å
149	I	63.8	Low	58.5	Low	31 Å²	31	35.1 Å²	35.1	16%	0.159	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-39.5	178.1	-63.9	165.3	0	0	0	110.1	V111 I114 I115 F118 C145 V146 V147 I151 L152 D153	V111-I149 HydrophobicContact CG1-CG2 3.74Å; I114-I149 HydrophobicContact CG2-CD1 3.73Å; I115-I149 HydrophobicContact CD1-CG2 3.92Å; I115-I149 HydrophobicContact CG1-CB 4.22Å; I115-I149 HydrophobicContact CG1-CG2 3.48Å; I115-I149 VanDerWaalsContact CG1-CG2 3.48Å; F118-I149 HydrophobicContact CD2-CD1 4.17Å; F118-I149 HydrophobicContact CE2-CD1 4.34Å; C145-I149 WeakPolarHBondContact O-CB 3.33Å; C145-I149 WeakPolarHBondContact O-CD1 3.47Å; C145-I149 WeakPolarHBondContact O-CG1 3.39Å; C145-I149 PolarHBondContact O-N 3.11Å; V146-I149 PolarHBondContact O-N 3.25Å; V147-I149 VanDerWaalsContact C-N 3.34Å; V147-I149 PolarHBondContact O-N 2.83Å; I149-I151 PolarHBondContact O-N 3Å; I149-L152 CarbonylContact O-C 3.6Å; I149-L152 PolarHBondContact O-N 3.19Å; I149-D153 VanDerWaalsContact O-CB 3.24Å; I149-D153 WeakPolarHBondContact O-CB 3.22Å; I149-D153 PolarHBondContact O-N 3.48Å
150	A	61.9	Low	57.9	Low	25 Å²	25	37.8 Å²	37.8	21%	0.207	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-45.5	173.8	0	0	0	0	0	111.2	V146 V147 I148 L152 D153 T154 E179	V146-A150 VanDerWaalsContact O-CB 3.28Å; V146-A150 WeakPolarHBondContact O-CB 3.25Å; V146-A150 PolarHBondContact O-N 3.41Å; V147-A150 PolarHBondContact O-N 3.31Å; I148-A150 VanDerWaalsContact C-N 3.34Å; A150-L152 VanDerWaalsContact C-N 3.28Å; A150-L152 PolarHBondContact O-N 3.31Å; A150-D153 PolarHBondContact O-N 3.4Å; A150-D153 VanDerWaalsContact O-N 3.11Å; A150-T154 VanDerWaalsContact O-CB 3.27Å; A150-T154 WeakPolarHBondContact O-CB 3.31Å; A150-T154 PolarHBondContact O-N 3.49Å; A150-T154 PolarHBondContact O-OG1 3.14Å; A150-E179 VanDerWaalsContact C-OE1 3.27Å
151	I	64.3	Low	57.3	Low	2 Å²	2	44 Å²	44	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-38.6	176.2	-56.6	155.5	0	0	0	111.6	A93 V147 I148 I149 D153 P155 E179 L183	A93-I151 HydrophobicContact CB-CB 3.89Å; A93-I151 HydrophobicContact CB-CD1 4.33Å; A93-I151 HydrophobicContact CB-CG2 3.21Å; V147-I151 HydrophobicContact CG1-CD1 4Å; V147-I151 HydrophobicContact CG1-CG1 4.41Å; V147-I151 WeakPolarHBondContact O-CD1 3.42Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.44Å; I148-I151 PolarHBondContact O-N 3.02Å; I149-I151 PolarHBondContact O-N 3Å; I151-D153 VanDerWaalsContact C-N 3.33Å; I151-P155 WeakPolarHBondContact O-CD 3.36Å; I151-E179 WeakPolarHBondContact CA-OE1 3.39Å; I151-E179 WeakPolarHBondContact CA-OE2 3.46Å; I151-E179 HydrophobicContact CD1-CB 4.03Å; I151-E179 HydrophobicContact CG1-CB 3.36Å; I151-E179 HydrophobicContact CG1-CG 3.94Å; I151-E179 WeakPolarHBondContact CG1-OE2 3.29Å; I151-E179 PolarHBondContact N-OE1 3.22Å; I151-L183 HydrophobicContact CD1-CD2 4.46Å
152	L	59.9	Low	56.3	Low	53 Å²	53	46.2 Å²	46.2	28%	0.277	25%	0.245	S	C	.	.	H	α-helix	trans	-70.4	-28.7	177.6	-67.5	170.7	0	0	0	112.8	L96 I148 I149 A150 P155	L96-L152 HydrophobicContact CB-CD2 3.57Å; L96-L152 HydrophobicContact CD1-CD2 3.74Å; L96-L152 HydrophobicContact CG-CD2 4.14Å; I148-L152 HydrophobicContact CG2-CD1 4.03Å; I148-L152 VanDerWaalsContact O-CG 3.26Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.12Å; I149-L152 CarbonylContact O-C 3.6Å; I149-L152 PolarHBondContact O-N 3.19Å; A150-L152 VanDerWaalsContact C-N 3.28Å; A150-L152 PolarHBondContact O-N 3.31Å; L152-P155 WeakPolarHBondContact O-CG 3.3Å
153	D	61.5	Low	55.3	Low	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-98.5	-25.6	-173.5	-153.2	32.7	0	0	0	113.4	V111 I149 A150 I151 P155 I156 M157	V111-D153 HydrophobicContact CG1-CB 3.86Å; V111-D153 WeakPolarHBondContact CG1-OD2 3.36Å; I149-D153 VanDerWaalsContact O-CB 3.24Å; I149-D153 WeakPolarHBondContact O-CB 3.22Å; I149-D153 PolarHBondContact O-N 3.48Å; A150-D153 PolarHBondContact O-N 3.4Å; A150-D153 VanDerWaalsContact O-N 3.11Å; I151-D153 VanDerWaalsContact C-N 3.33Å; D153-P155 VanDerWaalsContact C-CD 3.48Å; D153-I156 CarbonylContact O-C 3.59Å; D153-I156 WeakPolarHBondContact O-CA 3.15Å; D153-I156 VanDerWaalsContact O-CB 3.31Å; D153-I156 WeakPolarHBondContact O-CB 3.39Å; D153-I156 PolarHBondContact O-N 3.28Å; D153-I156 WeakPolarHBondContact OD1-CD1 3.48Å; D153-M157 PolarHBondContact O-N 3.15Å
154	T	59.8	Low	54.7	Low	15 Å²	15	57.9 Å²	57.9	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-43.2	-50.9	169.7	-80.9	0	0	0	0	113.9	A150 I156 M157 L158 V175 E179	A150-T154 VanDerWaalsContact O-CB 3.27Å; A150-T154 WeakPolarHBondContact O-CB 3.31Å; A150-T154 PolarHBondContact O-N 3.49Å; A150-T154 PolarHBondContact O-OG1 3.14Å; T154-I156 VanDerWaalsContact C-N 3.3Å; T154-I156 PolarHBondContact O-N 3.4Å; T154-M157 PolarHBondContact O-N 3.03Å; T154-L158 HydrophobicContact CG2-CD1 3.51Å; T154-L158 HydrophobicContact CG2-CG 4.4Å; T154-L158 WeakPolarHBondContact O-CB 3.47Å; T154-L158 WeakPolarHBondContact O-CD1 3.38Å; T154-L158 WeakPolarHBondContact O-CG 3.43Å; T154-L158 PolarHBondContact O-N 3.19Å; T154-V175 HydrophobicContact CG2-CB 4.29Å; T154-V175 HydrophobicContact CG2-CG1 3.42Å; T154-V175 VanDerWaalsContact CG2-CG1 3.42Å; T154-E179 WeakPolarHBondContact CB-OE1 3.33Å; T154-E179 PolarHBondContact OG1-OE1 3.26Å
155	P	51.6	Low	54.1	Low	23 Å²	23	64.1 Å²	64.1	15%	0.149	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-32.1	172.8	26.2	-41.2	0	0	0	114.3	S97 V100 I151 L152 D153 R159	S97-P155 VanDerWaalsContact CB-CG 3.5Å; S97-P155 VanDerWaalsContact O-CB 3.3Å; S97-P155 WeakPolarHBondContact O-CB 3.33Å; S97-P155 WeakPolarHBondContact OG-CB 3.47Å; V100-P155 HydrophobicContact CG2-CG 4.41Å; I151-P155 WeakPolarHBondContact O-CD 3.36Å; L152-P155 WeakPolarHBondContact O-CG 3.3Å; D153-P155 VanDerWaalsContact C-CD 3.48Å; P155-R159 PolarHBondContact O-N 3.27Å
156	I	53.4	Low	53.9	Low	19 Å²	19	70.4 Å²	70.4	10%	0.097	36%	0.356	C	S	.	.	H	α-helix	trans	-75.1	-42.8	179.8	-57	174.8	0	0	0	109.8	V100 I103 Q108 D153 T154 R159	V100-I156 HydrophobicContact CB-CG1 4.4Å; V100-I156 HydrophobicContact CG1-CD1 3.91Å; V100-I156 HydrophobicContact CG1-CG1 3.81Å; I103-I156 HydrophobicContact CB-CD1 3.89Å; I103-I156 HydrophobicContact CG2-CD1 3.69Å; Q108-I156 HydrophobicContact CG-CG2 3.99Å; Q108-I156 PolarHBondContact NE2-O 2.96Å; D153-I156 CarbonylContact O-C 3.59Å; D153-I156 WeakPolarHBondContact O-CA 3.15Å; D153-I156 VanDerWaalsContact O-CB 3.31Å; D153-I156 WeakPolarHBondContact O-CB 3.39Å; D153-I156 PolarHBondContact O-N 3.28Å; D153-I156 WeakPolarHBondContact OD1-CD1 3.48Å; T154-I156 VanDerWaalsContact C-N 3.3Å; T154-I156 PolarHBondContact O-N 3.4Å; I156-R159 WeakPolarHBondContact O-CB 3.23Å; I156-R159 PolarHBondContact O-N 3Å
157	M	51.3	Low	53.8	Low	105 Å²	105	72.4 Å²	72.4	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-70.9	-32.4	174.5	-68.1	-153	94	0	0	112.9	I112 D153 T154 R159	I112-M157 HydrophobicContact CD1-CE 4.38Å; D153-M157 PolarHBondContact O-N 3.15Å; T154-M157 PolarHBondContact O-N 3.03Å; M157-R159 PolarHBondContact O-N 3.03Å
158	L	50	Low	54	Low	28 Å²	28	73 Å²	73	15%	0.147	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.8	175	-72	167.2	0	0	0	113	T154 P160 Y167 F171	T154-L158 HydrophobicContact CG2-CD1 3.51Å; T154-L158 HydrophobicContact CG2-CG 4.4Å; T154-L158 WeakPolarHBondContact O-CB 3.47Å; T154-L158 WeakPolarHBondContact O-CD1 3.38Å; T154-L158 WeakPolarHBondContact O-CG 3.43Å; T154-L158 PolarHBondContact O-N 3.19Å; L158-P160 WeakPolarHBondContact O-CD 3.34Å; L158-Y167 HydrophobicContact CB-CD2 3.93Å; L158-Y167 HydrophobicContact CB-CE2 4.08Å; L158-Y167 HydrophobicContact CD2-CD1 3.89Å; L158-Y167 HydrophobicContact CD2-CD2 3.32Å; L158-Y167 HydrophobicContact CD2-CE1 4.07Å; L158-Y167 HydrophobicContact CD2-CE2 3.53Å; L158-Y167 HydrophobicContact CD2-CG 3.49Å; L158-Y167 VanDerWaalsContact CD2-CG 3.49Å; L158-Y167 HydrophobicContact CG-CD2 4.24Å; L158-Y167 HydrophobicContact CG-CE2 4.37Å; L158-Y167 VanDerWaalsContact O-CD2 3.25Å; L158-Y167 WeakPolarHBondContact O-CD2 3.42Å; L158-Y167 VanDerWaalsContact O-CE2 3.28Å; L158-Y167 WeakPolarHBondContact O-CE2 3.29Å; L158-F171 HydrophobicContact CD2-CD1 3.89Å; L158-F171 HydrophobicContact CD2-CE1 3.62Å
159	R	46.1	Very low	54.2	Low	117 Å²	117	76.3 Å²	76.3	44%	0.442	38%	0.383	S	S	.	.	S	Bend	trans	-81.4	115	175	-146.4	172.9	-169.5	173	2.6	108.4	V100 N101 P155 I156 M157 Q161	V100-R159 PolarHBondContact O-NH1 2.94Å; N101-R159 VanDerWaalsContact OD1-CZ 3.29Å; N101-R159 PolarHBondContact OD1-NH1 3.34Å; N101-R159 PolarHBondContact OD1-NH2 2.65Å; P155-R159 PolarHBondContact O-N 3.27Å; I156-R159 WeakPolarHBondContact O-CB 3.23Å; I156-R159 PolarHBondContact O-N 3Å; M157-R159 PolarHBondContact O-N 3.03Å; R159-Q161 PolarHBondContact O-N 2.91Å
160	P	43.6	Very low	54.3	Low	66 Å²	66	78.1 Å²	78.1	43%	0.429	40%	0.395	S	S	.	.			trans	-66.7	115.4	-175.9	24	-29.2	0	0	0	109	L158 T162 E163	L158-P160 WeakPolarHBondContact O-CD 3.34Å; P160-T162 PolarHBondContact O-N 3.39Å; P160-E163 WeakPolarHBondContact CB-O 3.49Å
161	Q	44.9	Very low	54.5	Low	144 Å²	144	77.5 Å²	77.5	67%	0.673	39%	0.388	S	S	*	.	S	Bend	trans	-71.9	-12.1	177	-84.7	-165.5	-8.6	0	0	113.5	R159	R159-Q161 PolarHBondContact O-N 2.91Å
162	T	39.6	Very low	54.7	Low	137 Å²	137	81.8 Å²	81.8	84%	0.84	41%	0.407	S	S	*	.	S	Bend	trans	-157.2	-6.6	-178	26.4	0	0	0	0	118.6	P160	P160-T162 PolarHBondContact O-N 3.39Å
163	E	40.5	Very low	55.1	Low	143 Å²	143	83.7 Å²	83.7	67%	0.668	42%	0.416	S	S	*	.	S	Bend	trans	-145.7	138.7	173.5	-73.1	-172.2	166.9	0	0	111.7	P160 K165	P160-E163 WeakPolarHBondContact CB-O 3.49Å; E163-K165 PolarHBondContact O-N 2.91Å
164	I	44.6	Very low	55.6	Low	167 Å²	167	84 Å²	84	86%	0.856	42%	0.417	S	S	*	.			trans	-66.8	70.7	-177.7	-51.6	167	0	0	0	110.4
165	K	49.6	Very low	56.1	Low	148 Å²	148	83.4 Å²	83.4	64%	0.643	41%	0.414	S	S	*	.			trans	-115.2	88.2	162.8	-75.5	-177.7	179.6	168.6	0	107.2	E163 Y167	E163-K165 PolarHBondContact O-N 2.91Å; K165-Y167 PolarHBondContact O-N 3.49Å
166	Q	58	Low	57	Low	170 Å²	170	84.2 Å²	84.2	79%	0.794	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.7	119.8	165.8	-82.6	179.7	-21.7	0	0	108
167	Y	59.7	Low	57.8	Low	57 Å²	57	87 Å²	87	22%	0.224	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-55.5	136.9	171.4	-73	-79.8	0	0	0	110	H46 L158 K165 F171	H46-Y167 HydrophobicContact CB-CD1 3.85Å; H46-Y167 HydrophobicContact CB-CE1 3.63Å; H46-Y167 AromaticContact CG-CE1 3.85Å; H46-Y167 AromaticContact ND1-CE1 3.46Å; H46-Y167 WeakPolarHBondContact ND1-CE1 3.5Å; L158-Y167 HydrophobicContact CB-CD2 3.93Å; L158-Y167 HydrophobicContact CB-CE2 4.08Å; L158-Y167 HydrophobicContact CD2-CD1 3.89Å; L158-Y167 HydrophobicContact CD2-CD2 3.32Å; L158-Y167 HydrophobicContact CD2-CE1 4.07Å; L158-Y167 HydrophobicContact CD2-CE2 3.53Å; L158-Y167 HydrophobicContact CD2-CG 3.49Å; L158-Y167 VanDerWaalsContact CD2-CG 3.49Å; L158-Y167 HydrophobicContact CG-CD2 4.24Å; L158-Y167 HydrophobicContact CG-CE2 4.37Å; L158-Y167 VanDerWaalsContact O-CD2 3.25Å; L158-Y167 WeakPolarHBondContact O-CD2 3.42Å; L158-Y167 VanDerWaalsContact O-CE2 3.28Å; L158-Y167 WeakPolarHBondContact O-CE2 3.29Å; K165-Y167 PolarHBondContact O-N 3.49Å; Y167-F171 AromaticContact CD1-CD1 3.8Å; Y167-F171 HydrophobicContact CD1-CD1 3.8Å; Y167-F171 HydrophobicContact CD1-CE1 4.08Å; Y167-F171 HydrophobicContact CE1-CD1 4.5Å; Y167-F171 HydrophobicContact CE1-CE1 4.34Å; Y167-F171 HydrophobicContact CG-CD1 4.25Å
168	P	66	Low	58.7	Low	20 Å²	20	82.3 Å²	82.3	13%	0.13	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-59.6	142.5	179.9	23.9	-31.8	0	0	0	110.4	H46 Q48 T170 F171 K172	H46-P168 VanDerWaalsContact O-CD 3.29Å; H46-P168 WeakPolarHBondContact O-CD 3.49Å; H46-P168 VanDerWaalsContact O-CG 3.23Å; H46-P168 WeakPolarHBondContact O-CG 3.3Å; Q48-P168 HydrophobicContact CB-CB 3.85Å; Q48-P168 HydrophobicContact CB-CG 3.98Å; Q48-P168 HydrophobicContact CG-CB 3.47Å; Q48-P168 VanDerWaalsContact CG-CB 3.47Å; Q48-P168 HydrophobicContact CG-CG 4.03Å; P168-T170 PolarHBondContact O-N 3.35Å; P168-T170 VanDerWaalsContact O-N 3.12Å; P168-F171 HydrophobicContact CG-CB 3.97Å; P168-F171 WeakPolarHBondContact O-CB 3.26Å; P168-F171 PolarHBondContact O-N 2.87Å; P168-K172 PolarHBondContact O-N 3.49Å
169	I	67.7	Low	59.6	Low	129 Å²	129	81.1 Å²	81.1	66%	0.662	40%	0.401	S	S	*	.	H	α-helix	trans	-52.7	-38.6	-178	-66	166.5	0	0	0	110.9	F171 K172 I173	I169-F171 VanDerWaalsContact C-N 3.3Å; I169-F171 PolarHBondContact O-N 3.04Å; I169-K172 PolarHBondContact O-N 3.14Å; I169-I173 HydrophobicContact CG2-CD1 3.72Å; I169-I173 HydrophobicContact CG2-CG1 4.24Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 3.32Å
170	T	65.6	Low	60.7	Low	69 Å²	69	77.3 Å²	77.3	42%	0.423	39%	0.391	S	S	.	.	H	α-helix	trans	-57.1	-40.7	177.3	-6.6	0	0	0	0	112.8	P168 F174	P168-T170 PolarHBondContact O-N 3.35Å; P168-T170 VanDerWaalsContact O-N 3.12Å; T170-F174 WeakPolarHBondContact O-CB 3.47Å; T170-F174 PolarHBondContact O-N 3.49Å
171	F	67.6	Low	61.9	Low	11 Å²	11	76.5 Å²	76.5	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-69.5	-42.7	178.1	-175.9	-113.1	0	0	0	111.3	I39 H46 L158 Y167 P168 I169 I173 F174 V175	I39-F171 HydrophobicContact CG2-CE2 3.79Å; H46-F171 HydrophobicContact CB-CD1 4.36Å; H46-F171 HydrophobicContact CB-CE1 4.17Å; H46-F171 HydrophobicContact CB-CE2 4.48Å; H46-F171 HydrophobicContact CB-CZ 4.29Å; H46-F171 AromaticContact CD2-CE1 3.72Å; H46-F171 AromaticContact CD2-CE2 3.36Å; H46-F171 WeakPolarHBondContact CD2-CE2 3.48Å; H46-F171 AromaticContact CD2-CZ 3.06Å; H46-F171 WeakPolarHBondContact CD2-CZ 3.31Å; H46-F171 AromaticContact CE1-CZ 3.88Å; H46-F171 AromaticContact CG-CE1 3.74Å; H46-F171 AromaticContact CG-CZ 3.58Å; H46-F171 AromaticContact NE2-CE2 3.94Å; H46-F171 AromaticContact NE2-CZ 3.29Å; H46-F171 VanDerWaalsContact NE2-CZ 3.29Å; H46-F171 WeakPolarHBondContact NE2-CZ 3.47Å; L158-F171 HydrophobicContact CD2-CD1 3.89Å; L158-F171 HydrophobicContact CD2-CE1 3.62Å; Y167-F171 AromaticContact CD1-CD1 3.8Å; Y167-F171 HydrophobicContact CD1-CD1 3.8Å; Y167-F171 HydrophobicContact CD1-CE1 4.08Å; Y167-F171 HydrophobicContact CE1-CD1 4.5Å; Y167-F171 HydrophobicContact CE1-CE1 4.34Å; Y167-F171 HydrophobicContact CG-CD1 4.25Å; P168-F171 HydrophobicContact CG-CB 3.97Å; P168-F171 WeakPolarHBondContact O-CB 3.26Å; P168-F171 PolarHBondContact O-N 2.87Å; I169-F171 VanDerWaalsContact C-N 3.3Å; I169-F171 PolarHBondContact O-N 3.04Å; F171-I173 PolarHBondContact O-N 2.99Å; F171-F174 HydrophobicContact CE2-CD1 4.46Å; F171-F174 WeakPolarHBondContact O-CB 3.24Å; F171-F174 PolarHBondContact O-N 3.12Å; F171-V175 HydrophobicContact CD1-CG2 4.34Å; F171-V175 HydrophobicContact CD2-CG2 4.46Å; F171-V175 HydrophobicContact CE1-CG2 3.96Å; F171-V175 HydrophobicContact CE2-CG2 4.05Å; F171-V175 HydrophobicContact CZ-CG2 3.76Å; F171-V175 WeakPolarHBondContact O-CG2 3.49Å; F171-V175 PolarHBondContact O-N 3.06Å
172	K	67.3	Low	63.1	Low	93 Å²	93	70.4 Å²	70.4	40%	0.404	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-42.6	176.9	-63.8	-175.1	-179.2	-176.9	0	112.4	P168 I169 F174 V175 N176	P168-K172 PolarHBondContact O-N 3.49Å; I169-K172 PolarHBondContact O-N 3.14Å; K172-F174 VanDerWaalsContact C-N 3.34Å; K172-V175 PolarHBondContact O-N 3.3Å; K172-N176 PolarHBondContact O-N 2.06Å; K172-N176 VanDerWaalsContact O-N 3.15Å
173	I	69.7	Low	64.6	Low	93 Å²	93	63.9 Å²	63.9	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-44.7	175.6	-69	172.1	0	0	0	110.1	I169 F171 N176 I177	I169-I173 HydrophobicContact CG2-CD1 3.72Å; I169-I173 HydrophobicContact CG2-CG1 4.24Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 3.32Å; F171-I173 PolarHBondContact O-N 2.99Å; I173-N176 PolarHBondContact O-N 3.19Å; I173-I177 HydrophobicContact CG2-CD1 3.62Å; I173-I177 HydrophobicContact CG2-CG1 4.32Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.22Å
174	F	70.8	Confident	65.9	Low	10 Å²	10	58 Å²	58	4%	0.044	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-51.6	177.2	166.5	-103.1	0	0	0	112.1	I39 T56 T59 A60 T170 F171 K172 N176 I177 Y178	I39-F174 HydrophobicContact CB-CE1 4.31Å; I39-F174 HydrophobicContact CD1-CE1 4.35Å; I39-F174 HydrophobicContact CD1-CZ 3.94Å; I39-F174 HydrophobicContact CG2-CD1 4.3Å; I39-F174 HydrophobicContact CG2-CE1 3.68Å; I39-F174 HydrophobicContact CG2-CZ 4.35Å; T56-F174 HydrophobicContact CG2-CB 3.41Å; T56-F174 VanDerWaalsContact CG2-CB 3.41Å; T56-F174 HydrophobicContact CG2-CD1 3.44Å; T56-F174 VanDerWaalsContact CG2-CD1 3.44Å; T56-F174 HydrophobicContact CG2-CD2 3.17Å; T56-F174 HydrophobicContact CG2-CE1 3.93Å; T56-F174 HydrophobicContact CG2-CE2 3.68Å; T56-F174 HydrophobicContact CG2-CG 3.01Å; T56-F174 HydrophobicContact CG2-CZ 4.03Å; T56-F174 WeakPolarHBondContact O-CE2 3.43Å; T59-F174 HydrophobicContact CG2-CE2 4.44Å; T59-F174 HydrophobicContact CG2-CZ 4.29Å; A60-F174 HydrophobicContact CB-CD2 4.07Å; A60-F174 HydrophobicContact CB-CE2 4.08Å; T170-F174 WeakPolarHBondContact O-CB 3.47Å; T170-F174 PolarHBondContact O-N 3.49Å; F171-F174 HydrophobicContact CE2-CD1 4.46Å; F171-F174 WeakPolarHBondContact O-CB 3.24Å; F171-F174 PolarHBondContact O-N 3.12Å; K172-F174 VanDerWaalsContact C-N 3.34Å; F174-N176 VanDerWaalsContact C-N 3.31Å; F174-N176 PolarHBondContact O-N 3.42Å; F174-I177 PolarHBondContact O-N 3.37Å; F174-Y178 HydrophobicContact CE2-CD2 4.41Å; F174-Y178 HydrophobicContact CZ-CD2 4.11Å; F174-Y178 HydrophobicContact CZ-CG 4.18Å; F174-Y178 WeakPolarHBondContact O-CB 3.44Å; F174-Y178 PolarHBondContact O-N 3.11Å
175	V	71.3	Confident	67	Low	3 Å²	3	51 Å²	51	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-45.2	-176.7	-179.2	0	0	0	0	110.2	M40 T154 F171 K172 I177 Y178 E179	M40-V175 HydrophobicContact CE-CG1 4.45Å; T154-V175 HydrophobicContact CG2-CB 4.29Å; T154-V175 HydrophobicContact CG2-CG1 3.42Å; T154-V175 VanDerWaalsContact CG2-CG1 3.42Å; F171-V175 HydrophobicContact CD1-CG2 4.34Å; F171-V175 HydrophobicContact CD2-CG2 4.46Å; F171-V175 HydrophobicContact CE1-CG2 3.96Å; F171-V175 HydrophobicContact CE2-CG2 4.05Å; F171-V175 HydrophobicContact CZ-CG2 3.76Å; F171-V175 WeakPolarHBondContact O-CG2 3.49Å; F171-V175 PolarHBondContact O-N 3.06Å; K172-V175 PolarHBondContact O-N 3.3Å; V175-I177 PolarHBondContact O-N 3.34Å; V175-Y178 PolarHBondContact O-N 3.47Å; V175-E179 HydrophobicContact CG1-CG 4.14Å; V175-E179 WeakPolarHBondContact O-CB 3.22Å; V175-E179 VanDerWaalsContact O-CG 3.27Å; V175-E179 WeakPolarHBondContact O-CG 3.26Å; V175-E179 PolarHBondContact O-N 3.23Å
176	N	69.8	Low	68	Low	39 Å²	39	44.6 Å²	44.6	21%	0.209	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-48.3	175.6	-89	-24.5	0	0	0	112.9	K172 I173 F174 Y178 V180	K172-N176 PolarHBondContact O-N 2.06Å; K172-N176 VanDerWaalsContact O-N 3.15Å; I173-N176 PolarHBondContact O-N 3.19Å; F174-N176 VanDerWaalsContact C-N 3.31Å; F174-N176 PolarHBondContact O-N 3.42Å; N176-Y178 VanDerWaalsContact C-N 3.33Å; N176-Y178 PolarHBondContact O-N 3.15Å; N176-V180 WeakPolarHBondContact O-CB 3.2Å; N176-V180 VanDerWaalsContact O-CG2 3.25Å; N176-V180 WeakPolarHBondContact O-CG2 3.16Å; N176-V180 PolarHBondContact O-N 3.36Å
177	I	70.3	Confident	68.5	Low	79 Å²	79	38 Å²	38	41%	0.405	19%	0.193	S	C	.	.	H	α-helix	trans	-63	-44.4	179.4	-69.2	172.8	0	0	0	110.3	I173 F174 V175 V180 M181	I173-I177 HydrophobicContact CG2-CD1 3.62Å; I173-I177 HydrophobicContact CG2-CG1 4.32Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.22Å; F174-I177 PolarHBondContact O-N 3.37Å; V175-I177 PolarHBondContact O-N 3.34Å; I177-V180 PolarHBondContact O-N 3.15Å; I177-M181 HydrophobicContact CG2-CG 4.27Å; I177-M181 WeakPolarHBondContact O-CB 3.04Å; I177-M181 VanDerWaalsContact O-CG 3.23Å; I177-M181 WeakPolarHBondContact O-CG 3.38Å; I177-M181 PolarHBondContact O-N 3.48Å
178	Y	70.8	Confident	68.9	Low	5 Å²	5	35.3 Å²	35.3	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-47.2	-178.8	178.1	-101.6	0	0	0	111.2	F33 M40 L63 F174 V175 N176 M181 L182	F33-Y178 VanDerWaalsContact CA-OH 3.23Å; F33-Y178 WeakPolarHBondContact CA-OH 3.41Å; F33-Y178 WeakPolarHBondContact CD2-OH 3.28Å; F33-Y178 PolarHBondContact O-OH 3.23Å; M40-Y178 HydrophobicContact SD-CD1 4.33Å; M40-Y178 HydrophobicContact SD-CE1 4.24Å; L63-Y178 HydrophobicContact CD2-CD2 3.56Å; L63-Y178 HydrophobicContact CD2-CE2 3.82Å; L63-Y178 HydrophobicContact CD2-CG 4.47Å; F174-Y178 HydrophobicContact CE2-CD2 4.41Å; F174-Y178 HydrophobicContact CZ-CD2 4.11Å; F174-Y178 HydrophobicContact CZ-CG 4.18Å; F174-Y178 WeakPolarHBondContact O-CB 3.44Å; F174-Y178 PolarHBondContact O-N 3.11Å; V175-Y178 PolarHBondContact O-N 3.47Å; N176-Y178 VanDerWaalsContact C-N 3.33Å; N176-Y178 PolarHBondContact O-N 3.15Å; Y178-M181 PolarHBondContact O-N 3.17Å; Y178-L182 HydrophobicContact CD1-CD1 3.89Å; Y178-L182 HydrophobicContact CE1-CD1 3.25Å; Y178-L182 HydrophobicContact CE2-CD1 4.25Å; Y178-L182 VanDerWaalsContact CZ-CD1 3.44Å; Y178-L182 WeakPolarHBondContact O-CB 3.3Å; Y178-L182 PolarHBondContact O-N 2.89Å
179	E	68.5	Low	69	Low	4 Å²	4	37.2 Å²	37.2	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-39	179.5	-65.4	173.8	144.7	0	0	112.9	A150 I151 T154 V175 M181 L182 L183	A150-E179 VanDerWaalsContact C-OE1 3.27Å; I151-E179 WeakPolarHBondContact CA-OE1 3.39Å; I151-E179 WeakPolarHBondContact CA-OE2 3.46Å; I151-E179 HydrophobicContact CD1-CB 4.03Å; I151-E179 HydrophobicContact CG1-CB 3.36Å; I151-E179 HydrophobicContact CG1-CG 3.94Å; I151-E179 WeakPolarHBondContact CG1-OE2 3.29Å; I151-E179 PolarHBondContact N-OE1 3.22Å; T154-E179 WeakPolarHBondContact CB-OE1 3.33Å; T154-E179 PolarHBondContact OG1-OE1 3.26Å; V175-E179 HydrophobicContact CG1-CG 4.14Å; V175-E179 WeakPolarHBondContact O-CB 3.22Å; V175-E179 VanDerWaalsContact O-CG 3.27Å; V175-E179 WeakPolarHBondContact O-CG 3.26Å; V175-E179 PolarHBondContact O-N 3.23Å; E179-M181 VanDerWaalsContact C-N 3.35Å; E179-L182 WeakPolarHBondContact O-CB 2.77Å; E179-L182 PolarHBondContact O-N 2.8Å; E179-L183 WeakPolarHBondContact O-CB 3.14Å; E179-L183 PolarHBondContact O-N 3.02Å
180	V	68.8	Low	69	Low	36 Å²	36	32 Å²	32	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-41.7	175	171.1	0	0	0	0	111.1	N176 I177 L182 L183 Y184	N176-V180 WeakPolarHBondContact O-CB 3.2Å; N176-V180 VanDerWaalsContact O-CG2 3.25Å; N176-V180 WeakPolarHBondContact O-CG2 3.16Å; N176-V180 PolarHBondContact O-N 3.36Å; I177-V180 PolarHBondContact O-N 3.15Å; V180-L182 VanDerWaalsContact C-N 3.34Å; V180-L183 PolarHBondContact O-N 3.09Å; V180-Y184 WeakPolarHBondContact O-CB 3.46Å; V180-Y184 PolarHBondContact O-N 3.31Å
181	M	68.4	Low	69	Low	50 Å²	50	30.7 Å²	30.7	25%	0.246	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-38.6	176	-73.9	-70.4	175.4	0	0	111.8	L63 V67 I177 Y178 E179 Y184 L185	L63-M181 HydrophobicContact CD2-CB 3.58Å; L63-M181 HydrophobicContact CD2-CG 4.43Å; L63-M181 HydrophobicContact CG-CB 4.16Å; V67-M181 HydrophobicContact CG1-SD 4.45Å; I177-M181 HydrophobicContact CG2-CG 4.27Å; I177-M181 WeakPolarHBondContact O-CB 3.04Å; I177-M181 VanDerWaalsContact O-CG 3.23Å; I177-M181 WeakPolarHBondContact O-CG 3.38Å; I177-M181 PolarHBondContact O-N 3.48Å; Y178-M181 PolarHBondContact O-N 3.17Å; E179-M181 VanDerWaalsContact C-N 3.35Å; M181-Y184 PolarHBondContact O-N 2.95Å; M181-L185 WeakPolarHBondContact O-CB 3.32Å; M181-L185 PolarHBondContact O-N 2.76Å
182	L	70.5	Confident	68.9	Low	15 Å²	15	31.3 Å²	31.3	8%	0.079	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-44.5	173.7	-112.4	158.4	0	0	0	112.4	F33 V147 Y178 E179 V180 Y184 L185 L186	F33-L182 HydrophobicContact CD2-CD1 3.76Å; F33-L182 HydrophobicContact CD2-CD2 3.58Å; F33-L182 HydrophobicContact CD2-CG 3.99Å; F33-L182 HydrophobicContact CE2-CD1 3.73Å; F33-L182 HydrophobicContact CE2-CD2 3.47Å; F33-L182 VanDerWaalsContact CE2-CD2 3.47Å; F33-L182 HydrophobicContact CE2-CG 4.12Å; V147-L182 HydrophobicContact CG1-CB 4.1Å; V147-L182 HydrophobicContact CG2-CB 4.25Å; V147-L182 HydrophobicContact CG2-CD2 4.09Å; Y178-L182 HydrophobicContact CD1-CD1 3.89Å; Y178-L182 HydrophobicContact CE1-CD1 3.25Å; Y178-L182 HydrophobicContact CE2-CD1 4.25Å; Y178-L182 VanDerWaalsContact CZ-CD1 3.44Å; Y178-L182 WeakPolarHBondContact O-CB 3.3Å; Y178-L182 PolarHBondContact O-N 2.89Å; E179-L182 WeakPolarHBondContact O-CB 2.77Å; E179-L182 PolarHBondContact O-N 2.8Å; V180-L182 VanDerWaalsContact C-N 3.34Å; L182-Y184 VanDerWaalsContact C-N 3.32Å; L182-Y184 PolarHBondContact O-N 2.99Å; L182-L185 PolarHBondContact O-N 3.01Å; L182-L186 HydrophobicContact CD2-CD1 4.34Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.14Å
183	L	70.3	Confident	68.7	Low	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-44.7	176.9	-171.9	73	0	0	0	110.8	L89 V147 I148 I151 E179 V180 L185 L186 L187	L89-L183 HydrophobicContact CB-CD2 3.53Å; L89-L183 HydrophobicContact CD1-CD2 3.96Å; L89-L183 HydrophobicContact CG-CD2 4.41Å; V147-L183 HydrophobicContact CG1-CB 3.99Å; V147-L183 HydrophobicContact CG1-CD1 4.22Å; I148-L183 HydrophobicContact CD1-CD1 4.2Å; I148-L183 HydrophobicContact CG1-CD1 3.67Å; I151-L183 HydrophobicContact CD1-CD2 4.46Å; E179-L183 WeakPolarHBondContact O-CB 3.14Å; E179-L183 PolarHBondContact O-N 3.02Å; V180-L183 PolarHBondContact O-N 3.09Å; L183-L185 PolarHBondContact O-N 3.41Å; L183-L186 PolarHBondContact O-N 2.93Å; L183-L187 HydrophobicContact CG-CD1 4.24Å; L183-L187 PolarHBondContact O-N 3.25Å
184	Y	68.2	Low	68.3	Low	18 Å²	18	28.5 Å²	28.5	7%	0.071	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-46.8	175.2	178	-96.6	0	0	0	112	V67 I82 Q83 S86 V180 M181 L182 L186 L187 I188	V67-Y184 HydrophobicContact CG1-CD1 3.46Å; V67-Y184 VanDerWaalsContact CG1-CD1 3.46Å; V67-Y184 HydrophobicContact CG1-CE1 3.41Å; V67-Y184 VanDerWaalsContact CG1-CE1 3.41Å; I82-Y184 HydrophobicContact CB-CE2 4.19Å; I82-Y184 HydrophobicContact CG2-CD2 3.63Å; I82-Y184 HydrophobicContact CG2-CE2 3.72Å; I82-Y184 HydrophobicContact CG2-CG 4.33Å; Q83-Y184 VanDerWaalsContact CA-CE2 3.48Å; Q83-Y184 HydrophobicContact CB-CE2 3.85Å; Q83-Y184 HydrophobicContact CG-CE2 4.12Å; Q83-Y184 PolarHBondContact OE1-OH 3.2Å; S86-Y184 VanDerWaalsContact OG-CA 3.24Å; S86-Y184 WeakPolarHBondContact OG-CA 3.03Å; S86-Y184 WeakPolarHBondContact OG-CD2 3.4Å; V180-Y184 WeakPolarHBondContact O-CB 3.46Å; V180-Y184 PolarHBondContact O-N 3.31Å; M181-Y184 PolarHBondContact O-N 2.95Å; L182-Y184 VanDerWaalsContact C-N 3.32Å; L182-Y184 PolarHBondContact O-N 2.99Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 3.22Å; Y184-L187 PolarHBondContact O-N 3.41Å; Y184-I188 HydrophobicContact CD1-CD1 3.73Å; Y184-I188 HydrophobicContact CE1-CD1 3.15Å; Y184-I188 HydrophobicContact CE1-CG1 4.17Å; Y184-I188 HydrophobicContact CE2-CD1 4.42Å; Y184-I188 WeakPolarHBondContact O-CB 3.45Å; Y184-I188 PolarHBondContact O-N 3.41Å
185	L	69.2	Low	67.9	Low	20 Å²	20	30.5 Å²	30.5	11%	0.105	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-41	178.2	-162.6	92.1	0	0	0	112.6	M29 V67 M181 L182 L183 I188 L189	M29-L185 HydrophobicContact CE-CD1 3.42Å; M29-L185 VanDerWaalsContact CE-CD1 3.42Å; M29-L185 HydrophobicContact CE-CD2 3.53Å; M29-L185 HydrophobicContact CE-CG 3.89Å; M29-L185 HydrophobicContact CG-CD1 4.02Å; M29-L185 HydrophobicContact SD-CD1 3.36Å; M29-L185 WeakPolarHBondContact SD-CD1 3.23Å; M29-L185 HydrophobicContact SD-CD2 4.49Å; M29-L185 HydrophobicContact SD-CG 4.45Å; V67-L185 HydrophobicContact CB-CD1 4.44Å; V67-L185 HydrophobicContact CG2-CD1 3.64Å; M181-L185 WeakPolarHBondContact O-CB 3.32Å; M181-L185 PolarHBondContact O-N 2.76Å; L182-L185 PolarHBondContact O-N 3.01Å; L183-L185 PolarHBondContact O-N 3.41Å; L185-I188 WeakPolarHBondContact O-CB 3.39Å; L185-I188 PolarHBondContact O-N 3.2Å; L185-L189 HydrophobicContact CD2-CD1 4.39Å; L185-L189 PolarHBondContact O-N 3.49Å
186	L	69.1	Low	67.1	Low	15 Å²	15	34.1 Å²	34.1	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-38.6	179.3	-76.5	165.4	0	0	0	112.3	W143 V147 L182 L183 Y184 I188 L189 S190	W143-L186 HydrophobicContact CB-CD1 3.89Å; W143-L186 HydrophobicContact CB-CD2 3.41Å; W143-L186 VanDerWaalsContact CB-CD2 3.41Å; W143-L186 HydrophobicContact CB-CG 4.29Å; W143-L186 HydrophobicContact CG-CD2 4.23Å; W143-L186 WeakPolarHBondContact O-CD1 3.48Å; V147-L186 HydrophobicContact CB-CD1 4.08Å; V147-L186 HydrophobicContact CG2-CD1 3.42Å; V147-L186 VanDerWaalsContact CG2-CD1 3.42Å; L182-L186 HydrophobicContact CD2-CD1 4.34Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.14Å; L183-L186 PolarHBondContact O-N 2.93Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 3.22Å; L186-I188 VanDerWaalsContact C-N 3.33Å; L186-L189 PolarHBondContact O-N 3.44Å; L186-S190 WeakPolarHBondContact O-CB 3.19Å; L186-S190 PolarHBondContact O-N 2.92Å; L186-S190 PolarHBondContact O-OG 2.99Å
187	L	68.8	Low	66.2	Low	32 Å²	32	35.1 Å²	35.1	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-41.9	173	-81	164	0	0	0	111.4	I82 V85 S86 L89 L183 Y184 S190 I191	I82-L187 HydrophobicContact CG2-CB 3.54Å; V85-L187 HydrophobicContact CG1-CD1 3.89Å; V85-L187 HydrophobicContact CG1-CD2 4.42Å; S86-L187 WeakPolarHBondContact OG-CD1 3.45Å; L89-L187 HydrophobicContact CD1-CD1 4.25Å; L183-L187 HydrophobicContact CG-CD1 4.24Å; L183-L187 PolarHBondContact O-N 3.25Å; Y184-L187 PolarHBondContact O-N 3.41Å; L187-S190 WeakPolarHBondContact O-CB 3.21Å; L187-S190 PolarHBondContact O-N 3.45Å; L187-I191 WeakPolarHBondContact O-CG1 3.33Å; L187-I191 PolarHBondContact O-N 3.18Å
188	I	67.9	Low	65.3	Low	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-51.9	-57.9	170	-84.6	177.6	0	0	0	110.5	F70 I74 I82 Y184 L185 L186 S190 I191 T192	F70-I188 HydrophobicContact CD1-CG2 3.66Å; F70-I188 HydrophobicContact CE1-CG2 3.42Å; F70-I188 VanDerWaalsContact CE1-CG2 3.42Å; I74-I188 HydrophobicContact CD1-CB 3.86Å; I74-I188 HydrophobicContact CD1-CD1 3.58Å; I74-I188 HydrophobicContact CD1-CG1 3.46Å; I74-I188 VanDerWaalsContact CD1-CG1 3.46Å; I74-I188 HydrophobicContact CD1-CG2 3.25Å; I74-I188 HydrophobicContact CG1-CG2 4.49Å; I82-I188 HydrophobicContact CD1-CB 4.37Å; I82-I188 HydrophobicContact CD1-CG1 3.73Å; I82-I188 HydrophobicContact CG2-CG1 3.92Å; Y184-I188 HydrophobicContact CD1-CD1 3.73Å; Y184-I188 HydrophobicContact CE1-CD1 3.15Å; Y184-I188 HydrophobicContact CE1-CG1 4.17Å; Y184-I188 HydrophobicContact CE2-CD1 4.42Å; Y184-I188 WeakPolarHBondContact O-CB 3.45Å; Y184-I188 PolarHBondContact O-N 3.41Å; L185-I188 WeakPolarHBondContact O-CB 3.39Å; L185-I188 PolarHBondContact O-N 3.2Å; L186-I188 VanDerWaalsContact C-N 3.33Å; I188-S190 PolarHBondContact O-N 2.85Å; I188-I191 PolarHBondContact O-N 3.37Å; I188-I191 VanDerWaalsContact O-N 3.15Å; I188-T192 WeakPolarHBondContact O-CB 3.46Å; I188-T192 PolarHBondContact O-N 2.85Å; I188-T192 PolarHBondContact O-OG1 3.28Å
189	L	68.5	Low	64.3	Low	59 Å²	59	42.1 Å²	42.1	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-37.8	-177.1	-76.8	164.7	0	0	0	111.5	F70 L185 L186 F193	F70-L189 HydrophobicContact CE1-CD2 4.42Å; F70-L189 HydrophobicContact CZ-CD2 4.01Å; L185-L189 HydrophobicContact CD2-CD1 4.39Å; L185-L189 PolarHBondContact O-N 3.49Å; L186-L189 PolarHBondContact O-N 3.44Å; L189-F193 VanDerWaalsContact O-CB 3.29Å; L189-F193 WeakPolarHBondContact O-CB 3.49Å; L189-F193 PolarHBondContact O-N 2.89Å
190	S	68.1	Low	63.1	Low	19 Å²	19	44.5 Å²	44.5	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-50.1	178	-52.6	0	0	0	0	112	C140 L186 L187 I188 F193 I194	C140-S190 VanDerWaalsContact CB-OG 3.28Å; C140-S190 WeakPolarHBondContact CB-OG 2.95Å; C140-S190 PolarHBondContact SG-N 3.33Å; C140-S190 VanDerWaalsContact SG-N 3.43Å; L186-S190 WeakPolarHBondContact O-CB 3.19Å; L186-S190 PolarHBondContact O-N 2.92Å; L186-S190 PolarHBondContact O-OG 2.99Å; L187-S190 WeakPolarHBondContact O-CB 3.21Å; L187-S190 PolarHBondContact O-N 3.45Å; I188-S190 PolarHBondContact O-N 2.85Å; S190-F193 PolarHBondContact O-N 3.46Å; S190-I194 VanDerWaalsContact O-CG1 3.26Å; S190-I194 WeakPolarHBondContact O-CG1 3.27Å; S190-I194 PolarHBondContact O-N 3.4Å
191	I	66.2	Low	61.9	Low	42 Å²	42	51.9 Å²	51.9	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-44.6	-177	-66	-167.8	0	0	0	111.1	D78 I82 L187 I188 F193 I194 K195	D78-I191 HydrophobicContact CB-CG2 4.34Å; I82-I191 HydrophobicContact CD1-CB 4.21Å; I82-I191 HydrophobicContact CD1-CD1 3.78Å; I82-I191 HydrophobicContact CD1-CG1 4.3Å; I82-I191 HydrophobicContact CG1-CD1 3.41Å; I82-I191 VanDerWaalsContact CG1-CD1 3.41Å; I82-I191 HydrophobicContact CG1-CG1 4.28Å; L187-I191 WeakPolarHBondContact O-CG1 3.33Å; L187-I191 PolarHBondContact O-N 3.18Å; I188-I191 PolarHBondContact O-N 3.37Å; I188-I191 VanDerWaalsContact O-N 3.15Å; I191-F193 PolarHBondContact O-N 2.9Å; I191-I194 PolarHBondContact O-N 3.31Å; I191-I194 VanDerWaalsContact O-N 3.14Å; I191-K195 PolarHBondContact O-N 2.9Å
192	T	64	Low	60.5	Low	24 Å²	24	60.3 Å²	60.3	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-55	-41.9	175.4	-53.8	0	0	0	0	110.6	Y7 Y13 I188 R196	Y7-T192 HydrophobicContact CE2-CG2 4.4Å; Y7-T192 WeakPolarHBondContact OH-CA 3.34Å; Y7-T192 WeakPolarHBondContact OH-CG2 3.49Å; Y7-T192 PolarHBondContact OH-O 3.16Å; Y13-T192 WeakPolarHBondContact OH-CG2 3.26Å; I188-T192 WeakPolarHBondContact O-CB 3.46Å; I188-T192 PolarHBondContact O-N 2.85Å; I188-T192 PolarHBondContact O-OG1 3.28Å; T192-R196 PolarHBondContact O-N 3Å
193	F	62.9	Low	60	Low	37 Å²	37	62.6 Å²	62.6	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-68.4	-43.4	177.2	-158.5	-90	0	0	0	113.1	T129 R133 L189 S190 I191 K195 R196 L197	T129-F193 HydrophobicContact CG2-CE2 4.3Å; T129-F193 HydrophobicContact CG2-CZ 4.44Å; R133-F193 HydrophobicContact CB-CZ 4.06Å; R133-F193 WeakPolarHBondContact O-CE1 3.36Å; R133-F193 WeakPolarHBondContact O-CZ 3.43Å; L189-F193 VanDerWaalsContact O-CB 3.29Å; L189-F193 WeakPolarHBondContact O-CB 3.49Å; L189-F193 PolarHBondContact O-N 2.89Å; S190-F193 PolarHBondContact O-N 3.46Å; I191-F193 PolarHBondContact O-N 2.9Å; F193-K195 PolarHBondContact O-N 3.45Å; F193-R196 WeakPolarHBondContact O-CB 3.23Å; F193-R196 PolarHBondContact O-N 3Å; F193-L197 HydrophobicContact CD1-CD1 3.91Å; F193-L197 HydrophobicContact CD1-CG 4.35Å; F193-L197 HydrophobicContact CE1-CD1 3.85Å; F193-L197 HydrophobicContact CE1-CG 4.13Å; F193-L197 PolarHBondContact O-N 3.08Å; F193-L197 VanDerWaalsContact O-N 3.12Å
194	I	61	Low	59.5	Low	90 Å²	90	65.8 Å²	65.8	46%	0.462	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.6	-70.1	164.9	0	0	0	111.1	S190 I191 R196 L197 K198	S190-I194 VanDerWaalsContact O-CG1 3.26Å; S190-I194 WeakPolarHBondContact O-CG1 3.27Å; S190-I194 PolarHBondContact O-N 3.4Å; I191-I194 PolarHBondContact O-N 3.31Å; I191-I194 VanDerWaalsContact O-N 3.14Å; I194-R196 VanDerWaalsContact C-N 3.3Å; I194-R196 PolarHBondContact O-N 2.59Å; I194-L197 WeakPolarHBondContact O-CB 3.32Å; I194-L197 PolarHBondContact O-N 2.63Å; I194-K198 PolarHBondContact O-N 3.09Å
195	K	62.4	Low	59	Low	52 Å²	52	68.4 Å²	68.4	23%	0.226	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-41.1	175.1	-84.9	-170	169.2	175.7	0	111.6	Y7 E75 D78 I191 F193 L197 K198 C199	Y7-K195 HydrophobicContact CE1-CB 4.1Å; E75-K195 IonicContact OE2-NZ 2.63Å; E75-K195 PolarHBondContact OE2-NZ 3.32Å; D78-K195 IonicContact OD1-NZ 3.04Å; D78-K195 PolarHBondContact OD1-NZ 2.93Å; D78-K195 WeakPolarHBondContact OD2-CD 3.09Å; D78-K195 WeakPolarHBondContact OD2-CE 3.43Å; D78-K195 IonicContact OD2-NZ 2.59Å; D78-K195 PolarHBondContact OD2-NZ 3.03Å; I191-K195 PolarHBondContact O-N 2.9Å; F193-K195 PolarHBondContact O-N 3.45Å; K195-L197 VanDerWaalsContact C-N 3.28Å; K195-L197 PolarHBondContact O-N 3.04Å; K195-K198 PolarHBondContact O-N 3.47Å; K195-K198 VanDerWaalsContact O-N 3.09Å; K195-C199 PolarHBondContact O-N 3.01Å; K195-C199 VanDerWaalsContact O-N 3.14Å
196	R	56	Low	58.4	Low	79 Å²	79	71.3 Å²	71.3	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-30.5	177.8	-158.2	178.4	-169.5	-166.1	4.3	113.5	T192 F193 I194 N200	T192-R196 PolarHBondContact O-N 3Å; F193-R196 WeakPolarHBondContact O-CB 3.23Å; F193-R196 PolarHBondContact O-N 3Å; I194-R196 VanDerWaalsContact C-N 3.3Å; I194-R196 PolarHBondContact O-N 2.59Å; R196-N200 PolarHBondContact O-ND2 3.43Å
197	L	50.9	Low	57.7	Low	61 Å²	61	74.8 Å²	74.8	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-71.4	-34.1	173.7	-77.8	165.8	0	0	0	112.3	F193 I194 K195	F193-L197 HydrophobicContact CD1-CD1 3.91Å; F193-L197 HydrophobicContact CD1-CG 4.35Å; F193-L197 HydrophobicContact CE1-CD1 3.85Å; F193-L197 HydrophobicContact CE1-CG 4.13Å; F193-L197 PolarHBondContact O-N 3.08Å; F193-L197 VanDerWaalsContact O-N 3.12Å; I194-L197 WeakPolarHBondContact O-CB 3.32Å; I194-L197 PolarHBondContact O-N 2.63Å; K195-L197 VanDerWaalsContact C-N 3.28Å; K195-L197 PolarHBondContact O-N 3.04Å
198	K	51.8	Low	57	Low	154 Å²	154	77.7 Å²	77.7	67%	0.67	38%	0.376	S	S	*	.	H	α-helix	trans	-70.5	-48.6	176.9	-82.7	-174	174.3	-177.2	0	112.4	I194 K195 N200 K201	I194-K198 PolarHBondContact O-N 3.09Å; K195-K198 PolarHBondContact O-N 3.47Å; K195-K198 VanDerWaalsContact O-N 3.09Å; K198-N200 PolarHBondContact O-N 3.01Å; K198-K201 PolarHBondContact O-N 3.5Å
199	C	48.7	Very low	56.2	Low	77 Å²	77	83.2 Å²	83.2	52%	0.52	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.4	-178.9	-64.7	0	0	0	0	115.2	K195	K195-C199 PolarHBondContact O-N 3.01Å; K195-C199 VanDerWaalsContact O-N 3.14Å
200	N	43.9	Very low	55.3	Low	54 Å²	54	85.1 Å²	85.1	29%	0.289	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-5.5	174	-84.2	-71.3	0	0	0	113.4	K10 R133 R196 K198	K10-N200 WeakPolarHBondContact CE-OD1 3.47Å; K10-N200 PolarHBondContact NZ-OD1 3.38Å; K10-N200 VanDerWaalsContact NZ-OD1 3.17Å; R133-N200 PolarHBondContact NH1-ND2 3.35Å; R133-N200 VanDerWaalsContact NH1-ND2 3.11Å; R196-N200 PolarHBondContact O-ND2 3.43Å; K198-N200 PolarHBondContact O-N 3.01Å
201	K	44.2	Very low	54.2	Low	190 Å²	190	90.6 Å²	90.6	83%	0.826	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-12.1	177.4	-74	-171.5	174.3	-173.9	0	113.1	K198	K198-K201 PolarHBondContact O-N 3.5Å
202	E	38.3	Very low	53.1	Low	227 Å²	227	95 Å²	95	100%	1.061	45%	0.453	S	S	*	.			trans	-90	0	165.2	-68.5	174.6	176.9	0	0	109.3

Retrieved 202 of 202 residues in 181.6 ms (Link to these results)

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