ATP6_STAAM Loading...

ATP synthase subunit a

Key component of the proton channel; it plays a direct role in the translocation of protons across the membrane.

AlphaFold DB (Q2G2F4), UniProt , Accession Q99SE9, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene atpB, Length 242 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31.2	Very low	37.1	Very low	222 Å²	222	140.4 Å²	140.4	100%	1.094	72%	0.721	S	S	*	*				0	115.6	0	-68.3	173.4	174.8	0	0	107.5
2	D	33.6	Very low	37.3	Very low	153 Å²	153	142.1 Å²	142.1	82%	0.818	73%	0.731	S	S	*	*			trans	37.4	99.9	158.1	-59.6	-66.4	0	0	0	120
3	H	32.2	Very low	37.9	Very low	187 Å²	187	147 Å²	147	87%	0.866	75%	0.745	S	S	*	*			trans	-123.2	74.1	154.4	-71.3	75.4	0	0	0	109.8	S5	H3-S5 PolarHBondContact O-N 3.42Å
4	K	30.3	Very low	38.9	Very low	192 Å²	192	141.8 Å²	141.8	84%	0.835	75%	0.746	S	S	*	*			trans	31.4	79.2	140	-150.8	179.1	-171.6	-165.7	0	116.4	P6	K4-P6 WeakPolarHBondContact O-CD 3.4Å
5	S	40	Very low	38.8	Very low	81 Å²	81	143.9 Å²	143.9	57%	0.566	75%	0.747	S	S	*	*			trans	-51.6	122.8	143.3	-55.1	0	0	0	0	107.8	H3 L7	H3-S5 PolarHBondContact O-N 3.42Å; S5-L7 VanDerWaalsContact CB-CG 3.5Å; S5-L7 PolarHBondContact O-N 3.36Å
6	P	39.1	Very low	39.1	Very low	96 Å²	96	141.4 Å²	141.4	62%	0.623	74%	0.735	S	S	*	*			trans	-70.9	73.8	165.8	28.9	-30.6	0	0	0	108.1	K4 V8	K4-P6 WeakPolarHBondContact O-CD 3.4Å; P6-V8 PolarHBondContact O-N 3.14Å
7	L	38.9	Very low	39.3	Very low	136 Å²	136	139.1 Å²	139.1	71%	0.712	72%	0.723	S	S	*	*			trans	-79.9	97.2	170.7	-65	162.7	0	0	0	106.8	S5 S9	S5-L7 VanDerWaalsContact CB-CG 3.5Å; S5-L7 PolarHBondContact O-N 3.36Å; L7-S9 PolarHBondContact O-N 3.22Å
8	V	42.4	Very low	39.7	Very low	91 Å²	91	136.3 Å²	136.3	55%	0.552	71%	0.712	S	S	*	*			trans	-95.8	82.7	163.6	-177.7	0	0	0	0	106.8	P6	P6-V8 PolarHBondContact O-N 3.14Å
9	S	41.4	Very low	39.6	Very low	72 Å²	72	135.7 Å²	135.7	50%	0.503	70%	0.704	S	S	.	*	B	Isolated β-bridge	trans	-86.2	109.2	170.1	53.9	0	0	0	0	108.6	L7	L7-S9 PolarHBondContact O-N 3.22Å
10	W	37.6	Very low	40.1	Very low	202 Å²	202	132.5 Å²	132.5	77%	0.765	69%	0.688	S	S	*	*			trans	-113.4	102.1	165	-88.8	61.3	0	0	0	108.9	L12	W10-L12 PolarHBondContact O-N 2.93Å
11	N	41.1	Very low	40.4	Very low	112 Å²	112	132.5 Å²	132.5	60%	0.599	69%	0.688	S	S	*	*			trans	-66	109.2	170.2	-102.2	-83.2	0	0	0	109.3
12	L	40.2	Very low	41.2	Very low	161 Å²	161	123.5 Å²	123.5	84%	0.843	65%	0.647	S	S	*	*	S	Bend	trans	-135.4	93.2	162.4	-150.4	76.5	0	0	0	109.5	W10	W10-L12 PolarHBondContact O-N 2.93Å
13	F	45	Very low	41.9	Very low	206 Å²	206	119.1 Å²	119.1	90%	0.904	63%	0.628	S	S	*	*	S	Bend	trans	81.8	57.5	176.7	-144.4	-98.2	0	0	0	117.1	F15	F13-F15 PolarHBondContact O-N 2.68Å
14	G	52.2	Low	42.7	Very low	74 Å²	74	114.8 Å²	114.8	76%	0.763	61%	0.61	S	S	*	*	S	Bend	trans	73	-10.2	154.7	0	0	0	0	0	117.8
15	F	37.2	Very low	43.7	Very low	174 Å²	174	110 Å²	110	76%	0.763	59%	0.594	S	S	*	*			trans	-100.9	116	164.6	-103.4	-92	0	0	0	109	F13 I17	F13-F15 PolarHBondContact O-N 2.68Å; F15-I17 PolarHBondContact O-N 3.32Å
16	D	43.3	Very low	44.3	Very low	104 Å²	104	107 Å²	107	56%	0.556	57%	0.57	S	S	*	*			trans	-66.8	79	171.6	-171.8	26.1	0	0	0	109.3	V18	D16-V18 PolarHBondContact O-N 2.97Å
17	I	41.8	Very low	45	Very low	102 Å²	102	106.7 Å²	106.7	52%	0.523	56%	0.563	S	S	.	*			trans	-76.8	91.5	165.2	-58	171.1	0	0	0	104.9	F15 F19	F15-I17 PolarHBondContact O-N 3.32Å; I17-F19 HydrophobicContact CB-CD2 4.34Å; I17-F19 HydrophobicContact CG2-CD2 3.79Å; I17-F19 HydrophobicContact CG2-CE2 3.98Å; I17-F19 PolarHBondContact O-N 3.33Å
18	V	46.6	Very low	45.7	Very low	89 Å²	89	106 Å²	106	54%	0.539	56%	0.559	S	S	.	*	B	Isolated β-bridge	trans	-54	94.3	160.7	-75.6	0	0	0	0	107.8	D16 N20	D16-V18 PolarHBondContact O-N 2.97Å; V18-N20 PolarHBondContact O-N 3.26Å
19	F	38.6	Very low	46.3	Very low	125 Å²	125	104 Å²	104	55%	0.548	55%	0.547	S	S	.	.			trans	-69.4	67.1	173.7	-105.7	-89.1	0	0	0	108.5	I17 L21	I17-F19 HydrophobicContact CB-CD2 4.34Å; I17-F19 HydrophobicContact CG2-CD2 3.79Å; I17-F19 HydrophobicContact CG2-CE2 3.98Å; I17-F19 PolarHBondContact O-N 3.33Å; F19-L21 VanDerWaalsContact C-N 3.27Å; F19-L21 PolarHBondContact O-N 3.01Å
20	N	49.1	Very low	46.7	Very low	71 Å²	71	101 Å²	101	38%	0.38	53%	0.525	S	S	.	.			trans	-75.4	90.2	168.6	-111	-72.1	0	0	0	106.5	V18 S22 S23 I24	V18-N20 PolarHBondContact O-N 3.26Å; N20-S22 PolarHBondContact O-N 2.77Å; N20-S22 VanDerWaalsContact O-N 3.12Å; N20-S23 VanDerWaalsContact CB-OG 3.25Å; N20-S23 WeakPolarHBondContact CB-OG 3.5Å; N20-S23 WeakPolarHBondContact O-CA 3.2Å; N20-S23 PolarHBondContact O-N 3.46Å; N20-I24 PolarHBondContact O-N 3.41Å
21	L	47.4	Very low	47.3	Very low	133 Å²	133	93.5 Å²	93.5	70%	0.696	51%	0.507	S	S	*	.	H	α-helix	trans	-48.9	-32.1	162.6	-175.1	71.1	0	0	0	109.9	F19 L25	F19-L21 VanDerWaalsContact C-N 3.27Å; F19-L21 PolarHBondContact O-N 3.01Å; L21-L25 WeakPolarHBondContact O-CB 3.04Å; L21-L25 PolarHBondContact O-N 3.26Å
22	S	46.8	Very low	48	Very low	32 Å²	32	94.8 Å²	94.8	22%	0.224	51%	0.508	C	S	.	.	H	α-helix	trans	-60.6	-52.2	170	-160	0	0	0	0	112.1	N20 I24 L25 M26 W110	N20-S22 PolarHBondContact O-N 2.77Å; N20-S22 VanDerWaalsContact O-N 3.12Å; S22-I24 PolarHBondContact O-N 3.3Å; S22-L25 PolarHBondContact O-N 2.98Å; S22-M26 WeakPolarHBondContact O-CB 3.05Å; S22-M26 WeakPolarHBondContact O-CG 3.4Å; S22-M26 PolarHBondContact O-N 3.14Å; S22-W110 WeakPolarHBondContact OG-CZ3 3.29Å
23	S	48.2	Very low	48.7	Very low	61 Å²	61	91.2 Å²	91.2	43%	0.427	49%	0.489	S	S	.	.	H	α-helix	trans	-60.6	-40.4	176.8	-61.8	0	0	0	0	113	N20 M26 I27	N20-S23 VanDerWaalsContact CB-OG 3.25Å; N20-S23 WeakPolarHBondContact CB-OG 3.5Å; N20-S23 WeakPolarHBondContact O-CA 3.2Å; N20-S23 PolarHBondContact O-N 3.46Å; S23-M26 PolarHBondContact O-N 3.5Å; S23-I27 WeakPolarHBondContact O-CB 3.16Å; S23-I27 WeakPolarHBondContact O-CD1 3.17Å; S23-I27 WeakPolarHBondContact O-CG1 3.15Å; S23-I27 PolarHBondContact O-N 3.35Å
24	I	49.5	Very low	48.9	Very low	96 Å²	96	83 Å²	83	49%	0.492	46%	0.456	S	S	.	.	H	α-helix	trans	-69.6	-44.5	178.1	-63.6	170.3	0	0	0	110.9	N20 S22 M26 I27 L28	N20-I24 PolarHBondContact O-N 3.41Å; S22-I24 PolarHBondContact O-N 3.3Å; I24-M26 VanDerWaalsContact C-N 3.3Å; I24-M26 PolarHBondContact O-N 3.43Å; I24-I27 PolarHBondContact O-N 3.45Å; I24-L28 VanDerWaalsContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CB 3.31Å; I24-L28 PolarHBondContact O-N 2.76Å
25	L	52.2	Low	48.8	Very low	93 Å²	93	85.6 Å²	85.6	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-37.6	176.1	-169.3	154.3	0	0	0	110.7	L21 S22 L28 V29	L21-L25 WeakPolarHBondContact O-CB 3.04Å; L21-L25 PolarHBondContact O-N 3.26Å; S22-L25 PolarHBondContact O-N 2.98Å; L25-L28 PolarHBondContact O-N 3.04Å; L25-V29 HydrophobicContact CD2-CG2 3.64Å; L25-V29 HydrophobicContact CG-CG2 4.4Å; L25-V29 VanDerWaalsContact O-CB 3.3Å; L25-V29 WeakPolarHBondContact O-CB 3.09Å; L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.21Å
26	M	51.5	Low	49.5	Very low	16 Å²	16	80.6 Å²	80.6	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-65.8	-44.5	175.7	-76.4	-66.4	-70.5	0	0	111.8	S22 S23 I24 L28 T30 W110 W111 K112 P114	S22-M26 WeakPolarHBondContact O-CB 3.05Å; S22-M26 WeakPolarHBondContact O-CG 3.4Å; S22-M26 PolarHBondContact O-N 3.14Å; S23-M26 PolarHBondContact O-N 3.5Å; I24-M26 VanDerWaalsContact C-N 3.3Å; I24-M26 PolarHBondContact O-N 3.43Å; M26-L28 VanDerWaalsContact C-N 3.32Å; M26-T30 WeakPolarHBondContact O-CB 3.38Å; M26-T30 PolarHBondContact O-N 3.22Å; M26-T30 PolarHBondContact O-OG1 3.17Å; M26-W110 WeakPolarHBondContact CE-O 3.38Å; M26-W110 VanDerWaalsContact SD-O 3.38Å; M26-W111 HydrophobicContact CE-CB 4.31Å; M26-W111 HydrophobicContact CE-CD2 4.06Å; M26-W111 HydrophobicContact CE-CE3 4.41Å; M26-W111 HydrophobicContact CE-CG 4Å; M26-W111 HydrophobicContact SD-CD2 4.41Å; M26-W111 HydrophobicContact SD-CE3 4.18Å; M26-K112 WeakPolarHBondContact CE-O 3.21Å; M26-P114 VanDerWaalsContact C-CG 3.46Å; M26-P114 HydrophobicContact CB-CG 3.96Å; M26-P114 WeakPolarHBondContact O-CG 3.41Å
27	I	53.3	Low	49.9	Very low	91 Å²	91	79.5 Å²	79.5	47%	0.467	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-41.5	172.9	-69.7	162.2	0	0	0	110.1	S23 I24 A31 P114	S23-I27 WeakPolarHBondContact O-CB 3.16Å; S23-I27 WeakPolarHBondContact O-CD1 3.17Å; S23-I27 WeakPolarHBondContact O-CG1 3.15Å; S23-I27 PolarHBondContact O-N 3.35Å; I24-I27 PolarHBondContact O-N 3.45Å; I27-A31 WeakPolarHBondContact O-CB 3.35Å; I27-A31 PolarHBondContact O-N 3.14Å; I27-P114 HydrophobicContact CG1-CB 4.04Å; I27-P114 HydrophobicContact CG1-CG 4.14Å
28	L	54.7	Low	50.2	Low	120 Å²	120	76.3 Å²	76.3	63%	0.628	41%	0.409	S	S	*	.	H	α-helix	trans	-68.2	-46.2	179.6	-171.7	77.2	0	0	0	112.6	I24 L25 M26 T30 A31 F32	I24-L28 VanDerWaalsContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CB 3.31Å; I24-L28 PolarHBondContact O-N 2.76Å; L25-L28 PolarHBondContact O-N 3.04Å; M26-L28 VanDerWaalsContact C-N 3.32Å; L28-T30 VanDerWaalsContact C-N 3.31Å; L28-A31 PolarHBondContact O-N 3.2Å; L28-F32 WeakPolarHBondContact O-CB 3.15Å; L28-F32 PolarHBondContact O-N 2.98Å
29	V	54.9	Low	50.3	Low	50 Å²	50	75.1 Å²	75.1	30%	0.303	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-39.4	177.8	167.8	0	0	0	0	110.3	L25 F32 L33 W111	L25-V29 HydrophobicContact CD2-CG2 3.64Å; L25-V29 HydrophobicContact CG-CG2 4.4Å; L25-V29 VanDerWaalsContact O-CB 3.3Å; L25-V29 WeakPolarHBondContact O-CB 3.09Å; L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.21Å; V29-F32 PolarHBondContact O-N 2.99Å; V29-L33 WeakPolarHBondContact O-CB 3.24Å; V29-L33 PolarHBondContact O-N 2.68Å; V29-W111 HydrophobicContact CG1-CH2 3.58Å; V29-W111 HydrophobicContact CG1-CZ2 4.17Å; V29-W111 HydrophobicContact CG1-CZ3 4.38Å
30	T	49.8	Very low	50.8	Low	8 Å²	8	72.4 Å²	72.4	5%	0.049	39%	0.39	C	S	.	.	H	α-helix	trans	-64.4	-48.3	172.7	-70.5	0	0	0	0	111.5	M26 L28 F32 L33 V34 P114 T115	M26-T30 WeakPolarHBondContact O-CB 3.38Å; M26-T30 PolarHBondContact O-N 3.22Å; M26-T30 PolarHBondContact O-OG1 3.17Å; L28-T30 VanDerWaalsContact C-N 3.31Å; T30-F32 PolarHBondContact O-N 3.29Å; T30-L33 PolarHBondContact O-N 3.45Å; T30-L33 VanDerWaalsContact O-N 3.1Å; T30-V34 HydrophobicContact CG2-CG2 4.3Å; T30-V34 WeakPolarHBondContact O-CB 3.14Å; T30-V34 VanDerWaalsContact O-CG2 3.31Å; T30-V34 WeakPolarHBondContact O-CG2 3.32Å; T30-V34 PolarHBondContact O-N 3.02Å; T30-P114 VanDerWaalsContact CG2-C 3.47Å; T30-P114 HydrophobicContact CG2-CB 4.34Å; T30-P114 HydrophobicContact CG2-CG 4.26Å; T30-P114 WeakPolarHBondContact OG1-CD 3.48Å; T30-P114 VanDerWaalsContact OG1-CG 3.29Å; T30-P114 WeakPolarHBondContact OG1-CG 3.34Å; T30-T115 VanDerWaalsContact CG2-CA 3.49Å; T30-T115 HydrophobicContact CG2-CG2 4.47Å; T30-T115 WeakPolarHBondContact CG2-OG1 3.1Å
31	A	50.7	Low	50.7	Low	46 Å²	46	70.9 Å²	70.9	38%	0.38	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-39.5	176.9	0	0	0	0	0	110.6	I27 L28 F35	I27-A31 WeakPolarHBondContact O-CB 3.35Å; I27-A31 PolarHBondContact O-N 3.14Å; L28-A31 PolarHBondContact O-N 3.2Å; A31-F35 WeakPolarHBondContact O-CB 3.29Å; A31-F35 PolarHBondContact O-N 3.27Å
32	F	55.2	Low	50.6	Low	139 Å²	139	69.7 Å²	69.7	61%	0.61	38%	0.383	S	S	*	.	H	α-helix	trans	-65.9	-41.4	174.2	-172.8	-99.2	0	0	0	112.2	L28 V29 T30 F35 L36	L28-F32 WeakPolarHBondContact O-CB 3.15Å; L28-F32 PolarHBondContact O-N 2.98Å; V29-F32 PolarHBondContact O-N 2.99Å; T30-F32 PolarHBondContact O-N 3.29Å; F32-F35 PolarHBondContact O-N 3.24Å; F32-L36 WeakPolarHBondContact O-CB 3.26Å; F32-L36 PolarHBondContact O-N 3.41Å
33	L	54.2	Low	50.4	Low	85 Å²	85	77.4 Å²	77.4	45%	0.445	41%	0.407	S	S	.	.	H	α-helix	trans	-68.2	-40.5	177.8	-170.9	68.2	0	0	0	112	V29 T30 L36 L37	V29-L33 WeakPolarHBondContact O-CB 3.24Å; V29-L33 PolarHBondContact O-N 2.68Å; T30-L33 PolarHBondContact O-N 3.45Å; T30-L33 VanDerWaalsContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 2.73Å; L33-L37 VanDerWaalsContact O-CB 3.32Å; L33-L37 WeakPolarHBondContact O-CB 3.2Å; L33-L37 PolarHBondContact O-N 3.2Å
34	V	49.8	Very low	49.9	Very low	35 Å²	35	78.4 Å²	78.4	21%	0.212	41%	0.407	C	S	.	.	H	α-helix	trans	-66.6	-42.6	174.5	171.6	0	0	0	0	110.3	T30 L36 L37 A38 T115 T121	T30-V34 HydrophobicContact CG2-CG2 4.3Å; T30-V34 WeakPolarHBondContact O-CB 3.14Å; T30-V34 VanDerWaalsContact O-CG2 3.31Å; T30-V34 WeakPolarHBondContact O-CG2 3.32Å; T30-V34 PolarHBondContact O-N 3.02Å; V34-L36 VanDerWaalsContact C-N 3.32Å; V34-L36 PolarHBondContact O-N 3.14Å; V34-L37 PolarHBondContact O-N 3.06Å; V34-A38 WeakPolarHBondContact O-CB 3.37Å; V34-A38 PolarHBondContact O-N 2.9Å; V34-T115 HydrophobicContact CG2-CG2 3.76Å; V34-T121 HydrophobicContact CG1-CG2 4.41Å
35	F	50.1	Low	49.3	Very low	128 Å²	128	81.1 Å²	81.1	56%	0.561	42%	0.422	S	S	*	.	H	α-helix	trans	-63	-40.7	173.7	-174.8	-105.4	0	0	0	111.5	A31 F32 A38 I39	A31-F35 WeakPolarHBondContact O-CB 3.29Å; A31-F35 PolarHBondContact O-N 3.27Å; F32-F35 PolarHBondContact O-N 3.24Å; F35-A38 PolarHBondContact O-N 2.78Å; F35-I39 HydrophobicContact CD1-CD1 3.65Å; F35-I39 HydrophobicContact CE1-CD1 3.25Å; F35-I39 HydrophobicContact CE1-CG1 4.42Å; F35-I39 HydrophobicContact CE2-CD1 4.32Å; F35-I39 HydrophobicContact CG-CD1 4.34Å; F35-I39 HydrophobicContact CZ-CD1 3.64Å; F35-I39 WeakPolarHBondContact O-CB 3.25Å; F35-I39 VanDerWaalsContact O-CG1 3.3Å; F35-I39 WeakPolarHBondContact O-CG1 3.49Å; F35-I39 PolarHBondContact O-N 3.09Å
36	L	51.9	Low	48.5	Very low	68 Å²	68	82.9 Å²	82.9	36%	0.356	43%	0.426	S	S	.	.	H	α-helix	trans	-65.8	-42.5	176	-176	65.2	0	0	0	111	F32 L33 V34 I39 I40	F32-L36 WeakPolarHBondContact O-CB 3.26Å; F32-L36 PolarHBondContact O-N 3.41Å; L33-L36 PolarHBondContact O-N 2.73Å; V34-L36 VanDerWaalsContact C-N 3.32Å; V34-L36 PolarHBondContact O-N 3.14Å; L36-I39 PolarHBondContact O-N 3.29Å; L36-I40 HydrophobicContact CD1-CD1 3.67Å; L36-I40 HydrophobicContact CD2-CD1 4.29Å; L36-I40 HydrophobicContact CG-CD1 3.52Å; L36-I40 VanDerWaalsContact O-CB 3.27Å; L36-I40 WeakPolarHBondContact O-CB 3.06Å; L36-I40 VanDerWaalsContact O-CD1 3.28Å; L36-I40 WeakPolarHBondContact O-CD1 3.26Å; L36-I40 PolarHBondContact O-N 2.84Å
37	L	51.3	Low	48.1	Very low	81 Å²	81	91.7 Å²	91.7	42%	0.424	46%	0.464	S	S	.	.	H	α-helix	trans	-67.2	-41.5	175.6	-171.5	70.8	0	0	0	111.5	L33 V34 I39 I40 C41 Y89	L33-L37 VanDerWaalsContact O-CB 3.32Å; L33-L37 WeakPolarHBondContact O-CB 3.2Å; L33-L37 PolarHBondContact O-N 3.2Å; V34-L37 PolarHBondContact O-N 3.06Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 2.78Å; L37-I40 PolarHBondContact O-N 3.35Å; L37-C41 PolarHBondContact O-N 3.34Å; L37-C41 PolarHBondContact O-SG 3.17Å; L37-C41 VanDerWaalsContact O-SG 3.35Å; L37-Y89 PolarHBondContact O-OH 2.64Å; L37-Y89 VanDerWaalsContact O-OH 3.14Å
38	A	47.8	Very low	47.5	Very low	35 Å²	35	96.4 Å²	96.4	29%	0.289	48%	0.476	S	S	.	.	H	α-helix	trans	-56.1	-48.4	173.2	0	0	0	0	0	110.1	V34 F35 T42 Y89	V34-A38 WeakPolarHBondContact O-CB 3.37Å; V34-A38 PolarHBondContact O-N 2.9Å; F35-A38 PolarHBondContact O-N 2.78Å; A38-T42 VanDerWaalsContact O-CB 3.26Å; A38-T42 WeakPolarHBondContact O-CB 3.41Å; A38-T42 PolarHBondContact O-N 2.98Å; A38-Y89 WeakPolarHBondContact CA-OH 3.39Å
39	I	48.8	Very low	46.6	Very low	64 Å²	64	94.9 Å²	94.9	33%	0.328	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-44.7	174.7	-71.4	170.8	0	0	0	111.5	F35 L36 L37 C41 T42 R43	F35-I39 HydrophobicContact CD1-CD1 3.65Å; F35-I39 HydrophobicContact CE1-CD1 3.25Å; F35-I39 HydrophobicContact CE1-CG1 4.42Å; F35-I39 HydrophobicContact CE2-CD1 4.32Å; F35-I39 HydrophobicContact CG-CD1 4.34Å; F35-I39 HydrophobicContact CZ-CD1 3.64Å; F35-I39 WeakPolarHBondContact O-CB 3.25Å; F35-I39 VanDerWaalsContact O-CG1 3.3Å; F35-I39 WeakPolarHBondContact O-CG1 3.49Å; F35-I39 PolarHBondContact O-N 3.09Å; L36-I39 PolarHBondContact O-N 3.29Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 2.78Å; I39-C41 VanDerWaalsContact C-N 3.31Å; I39-C41 PolarHBondContact O-N 3.45Å; I39-T42 PolarHBondContact O-N 3.33Å; I39-R43 WeakPolarHBondContact O-CB 3.42Å; I39-R43 PolarHBondContact O-N 3.06Å
40	I	49	Very low	46	Very low	68 Å²	68	97.3 Å²	97.3	35%	0.349	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-39.9	-177.1	-100.2	124.9	0	0	0	110.8	L36 L37 R43 N44	L36-I40 HydrophobicContact CD1-CD1 3.67Å; L36-I40 HydrophobicContact CD2-CD1 4.29Å; L36-I40 HydrophobicContact CG-CD1 3.52Å; L36-I40 VanDerWaalsContact O-CB 3.27Å; L36-I40 WeakPolarHBondContact O-CB 3.06Å; L36-I40 VanDerWaalsContact O-CD1 3.28Å; L36-I40 WeakPolarHBondContact O-CD1 3.26Å; L36-I40 PolarHBondContact O-N 2.84Å; L37-I40 PolarHBondContact O-N 3.35Å; I40-R43 CarbonylContact O-C 3.46Å; I40-R43 PolarHBondContact O-N 3.45Å; I40-N44 WeakPolarHBondContact O-CA 3.15Å; I40-N44 WeakPolarHBondContact O-CB 3.28Å; I40-N44 PolarHBondContact O-N 3.37Å; I40-N44 PolarHBondContact O-ND2 3.49Å
41	C	47.2	Very low	45.8	Very low	39 Å²	39	100.3 Å²	100.3	26%	0.264	52%	0.521	S	S	.	.	H	α-helix	trans	-85.7	-30.1	178.7	-57.3	0	0	0	0	113	L37 I39 R43 N44 Y89	L37-C41 PolarHBondContact O-N 3.34Å; L37-C41 PolarHBondContact O-SG 3.17Å; L37-C41 VanDerWaalsContact O-SG 3.35Å; I39-C41 VanDerWaalsContact C-N 3.31Å; I39-C41 PolarHBondContact O-N 3.45Å; C41-R43 PolarHBondContact O-N 2.87Å; C41-N44 CarbonylContact O-C 3.57Å; C41-N44 PolarHBondContact O-N 3.29Å; C41-Y89 HydrophobicContact CB-CD2 4.13Å; C41-Y89 HydrophobicContact CB-CE2 3.05Å; C41-Y89 WeakPolarHBondContact CB-OH 3.09Å; C41-Y89 PolarHBondContact SG-OH 2.85Å
42	T	46.5	Very low	45.8	Very low	109 Å²	109	107 Å²	107	67%	0.669	54%	0.541	S	S	*	.	H	α-helix	trans	-56.3	-32.8	164.1	-120.3	0	0	0	0	110.1	A38 I39	A38-T42 VanDerWaalsContact O-CB 3.26Å; A38-T42 WeakPolarHBondContact O-CB 3.41Å; A38-T42 PolarHBondContact O-N 2.98Å; I39-T42 PolarHBondContact O-N 3.33Å
43	R	41.1	Very low	45.4	Very low	194 Å²	194	103.5 Å²	103.5	73%	0.732	53%	0.527	S	S	*	.	H	α-helix	trans	-92.9	-20.4	179.3	-152.1	166.1	79.8	-176	6	114.1	I39 I40 C41	I39-R43 WeakPolarHBondContact O-CB 3.42Å; I39-R43 PolarHBondContact O-N 3.06Å; I40-R43 CarbonylContact O-C 3.46Å; I40-R43 PolarHBondContact O-N 3.45Å; C41-R43 PolarHBondContact O-N 2.87Å
44	N	38.1	Very low	45.4	Very low	81 Å²	81	104.9 Å²	104.9	43%	0.433	54%	0.535	S	S	.	.			trans	-107.4	52.2	-179.9	-83.5	-89.3	0	0	0	112.6	I40 C41 K46	I40-N44 WeakPolarHBondContact O-CA 3.15Å; I40-N44 WeakPolarHBondContact O-CB 3.28Å; I40-N44 PolarHBondContact O-N 3.37Å; I40-N44 PolarHBondContact O-ND2 3.49Å; C41-N44 CarbonylContact O-C 3.57Å; C41-N44 PolarHBondContact O-N 3.29Å; N44-K46 HydrophobicContact CB-CB 4.4Å; N44-K46 PolarHBondContact O-N 2.82Å; N44-K46 WeakPolarHBondContact OD1-CB 3.44Å
45	L	36.9	Very low	45.8	Very low	153 Å²	153	109.3 Å²	109.3	80%	0.801	55%	0.551	S	S	*	*			trans	-71.4	63.5	136.3	-63.8	179.4	0	0	0	108.3	K47	L45-K47 PolarHBondContact O-N 2.86Å
46	K	34.9	Very low	45.8	Very low	130 Å²	130	105 Å²	105	57%	0.565	54%	0.536	S	S	*	.			trans	-87	106.5	-179.4	-170.2	163.7	-179.1	-80.8	0	108.4	N44 R48	N44-K46 HydrophobicContact CB-CB 4.4Å; N44-K46 PolarHBondContact O-N 2.82Å; N44-K46 WeakPolarHBondContact OD1-CB 3.44Å; K46-R48 PolarHBondContact O-N 2.84Å
47	K	44.8	Very low	46.2	Very low	201 Å²	201	106.5 Å²	106.5	87%	0.874	54%	0.541	S	S	*	.	S	Bend	trans	-54.5	17.2	177.4	-165.7	176.9	174.7	178.8	0	116.4	L45	L45-K47 PolarHBondContact O-N 2.86Å
48	R	40.4	Very low	46.8	Very low	191 Å²	191	110 Å²	110	72%	0.721	55%	0.548	S	S	*	.			trans	-135.3	110.6	-172.5	-73.8	-80.8	174.2	157.8	-4.2	111	K46 Q53	K46-R48 PolarHBondContact O-N 2.84Å; R48-Q53 PolarHBondContact O-OE1 3.25Å; R48-Q53 VanDerWaalsContact O-OE1 3.06Å
49	P	35	Very low	47.2	Very low	88 Å²	88	110 Å²	110	57%	0.571	54%	0.543	S	S	*	.			trans	-86.2	148.6	-166.9	17.3	-4.9	0	0	0	115.2	Q53	P49-Q53 HydrophobicContact CB-CB 4.45Å
50	T	42.3	Very low	47.4	Very low	100 Å²	100	110 Å²	110	61%	0.613	54%	0.541	S	S	*	.			trans	-139.2	111.8	167.5	64.7	0	0	0	0	109.4	K52 Q53	T50-K52 VanDerWaalsContact C-N 3.32Å; T50-K52 CarbonylContact O-C 3.58Å; T50-K52 PolarHBondContact O-N 2.84Å; T50-Q53 WeakPolarHBondContact O-CB 3.17Å; T50-Q53 PolarHBondContact O-N 2.7Å; T50-Q53 PolarHBondContact OG1-OE1 3.36Å
51	G	46.5	Very low	48	Very low	72 Å²	72	111.1 Å²	111.1	74%	0.742	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	34.1	-69.4	165.3	0	0	0	0	0	119.1	Q53 N54	G51-Q53 PolarHBondContact O-N 3.24Å; G51-N54 PolarHBondContact O-N 3.39Å
52	K	50.3	Low	48.7	Very low	186 Å²	186	114.4 Å²	114.4	81%	0.809	56%	0.558	S	S	*	*	H	α-helix	trans	-65.3	-22.4	172.3	-62.9	-177.1	178	-176.7	0	113.4	T50 N54 V56	T50-K52 VanDerWaalsContact C-N 3.32Å; T50-K52 CarbonylContact O-C 3.58Å; T50-K52 PolarHBondContact O-N 2.84Å; K52-N54 VanDerWaalsContact C-N 3.31Å; K52-V56 WeakPolarHBondContact O-CG2 3.28Å
53	Q	46.5	Very low	49	Very low	66 Å²	66	109.6 Å²	109.6	31%	0.308	53%	0.528	S	S	.	.	H	α-helix	trans	-72.4	-20.4	173.9	-71.4	-176.4	-60.4	0	0	112.7	R48 P49 T50 G51 V56 E57	R48-Q53 PolarHBondContact O-OE1 3.25Å; R48-Q53 VanDerWaalsContact O-OE1 3.06Å; P49-Q53 HydrophobicContact CB-CB 4.45Å; T50-Q53 WeakPolarHBondContact O-CB 3.17Å; T50-Q53 PolarHBondContact O-N 2.7Å; T50-Q53 PolarHBondContact OG1-OE1 3.36Å; G51-Q53 PolarHBondContact O-N 3.24Å; Q53-V56 CarbonylContact O-C 3.57Å; Q53-V56 WeakPolarHBondContact O-CB 3.26Å; Q53-V56 PolarHBondContact O-N 2.78Å; Q53-E57 WeakPolarHBondContact O-CB 3.37Å; Q53-E57 PolarHBondContact O-N 2.66Å
54	N	54.4	Low	49.5	Very low	113 Å²	113	106 Å²	106	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-70.8	-36.7	179.6	-146.6	56.2	0	0	0	111.9	G51 K52 V56 W58	G51-N54 PolarHBondContact O-N 3.39Å; K52-N54 VanDerWaalsContact C-N 3.31Å; N54-V56 VanDerWaalsContact C-N 3.32Å; N54-W58 VanDerWaalsContact O-CB 3.29Å; N54-W58 WeakPolarHBondContact O-CB 3.45Å; N54-W58 PolarHBondContact O-N 2.78Å
55	F	58.1	Low	50.3	Low	128 Å²	128	104 Å²	104	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-68.1	-36.7	171.6	-175.8	-103.5	0	0	0	111.3	W58 I59	F55-W58 HydrophobicContact CD2-CE3 4.2Å; F55-W58 HydrophobicContact CE2-CE3 4.07Å; F55-W58 HydrophobicContact CE2-CZ3 4.04Å; F55-I59 PolarHBondContact O-N 3.01Å
56	V	50.5	Low	51	Low	39 Å²	39	99.8 Å²	99.8	24%	0.236	49%	0.49	C	S	.	.	H	α-helix	trans	-64.8	-50.1	173.7	178.2	0	0	0	0	110	K52 Q53 N54 W58 I59 F60 L96	K52-V56 WeakPolarHBondContact O-CG2 3.28Å; Q53-V56 CarbonylContact O-C 3.57Å; Q53-V56 WeakPolarHBondContact O-CB 3.26Å; Q53-V56 PolarHBondContact O-N 2.78Å; N54-V56 VanDerWaalsContact C-N 3.32Å; V56-W58 VanDerWaalsContact C-N 3.32Å; V56-W58 PolarHBondContact O-N 3.43Å; V56-I59 WeakPolarHBondContact O-CG2 3.29Å; V56-I59 PolarHBondContact O-N 3.07Å; V56-F60 HydrophobicContact CG1-CD2 3.45Å; V56-F60 VanDerWaalsContact CG1-CD2 3.45Å; V56-F60 HydrophobicContact CG1-CE2 3.45Å; V56-F60 VanDerWaalsContact CG1-CE2 3.45Å; V56-F60 WeakPolarHBondContact O-CB 3.12Å; V56-F60 WeakPolarHBondContact O-CD2 3.34Å; V56-F60 PolarHBondContact O-N 3.42Å; V56-L96 HydrophobicContact CG1-CD1 4.24Å; V56-L96 HydrophobicContact CG2-CD1 4.17Å; V56-L96 HydrophobicContact CG2-CD2 4.06Å
57	E	60.2	Low	51.6	Low	98 Å²	98	94.9 Å²	94.9	46%	0.458	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-41.4	177.9	-167.2	162.3	-169.2	0	0	111.3	Q53 F60 D61	Q53-E57 WeakPolarHBondContact O-CB 3.37Å; Q53-E57 PolarHBondContact O-N 2.66Å; E57-F60 CarbonylContact O-C 3.57Å; E57-F60 WeakPolarHBondContact O-CB 3.19Å; E57-F60 PolarHBondContact O-N 3.2Å; E57-D61 WeakPolarHBondContact O-CB 3.47Å; E57-D61 PolarHBondContact O-N 3.48Å
58	W	62.8	Low	52	Low	154 Å²	154	90.7 Å²	90.7	58%	0.583	45%	0.454	S	S	*	.	H	α-helix	trans	-63.3	-41.9	173.9	-178.8	71.3	0	0	0	113.5	N54 F55 V56 F60 D61 F62	N54-W58 VanDerWaalsContact O-CB 3.29Å; N54-W58 WeakPolarHBondContact O-CB 3.45Å; N54-W58 PolarHBondContact O-N 2.78Å; F55-W58 HydrophobicContact CD2-CE3 4.2Å; F55-W58 HydrophobicContact CE2-CE3 4.07Å; F55-W58 HydrophobicContact CE2-CZ3 4.04Å; V56-W58 VanDerWaalsContact C-N 3.32Å; V56-W58 PolarHBondContact O-N 3.43Å; W58-F60 VanDerWaalsContact C-N 3.33Å; W58-D61 PolarHBondContact O-N 2.66Å; W58-F62 WeakPolarHBondContact O-CB 3.36Å; W58-F62 PolarHBondContact O-N 3.48Å
59	I	56.2	Low	52.5	Low	35 Å²	35	84.7 Å²	84.7	18%	0.179	45%	0.452	C	S	.	.	H	α-helix	trans	-68.1	-37.2	174.4	-162.6	73.3	0	0	0	110.7	F55 V56 F62 V63 I92	F55-I59 PolarHBondContact O-N 3.01Å; V56-I59 WeakPolarHBondContact O-CG2 3.29Å; V56-I59 PolarHBondContact O-N 3.07Å; I59-F62 HydrophobicContact CD1-CD1 4.36Å; I59-F62 PolarHBondContact O-N 2.86Å; I59-V63 HydrophobicContact CG1-CG2 4.37Å; I59-V63 WeakPolarHBondContact O-CG2 3.05Å; I59-V63 PolarHBondContact O-N 3.17Å; I59-I92 HydrophobicContact CG2-CG2 4.38Å
60	F	53.8	Low	53	Low	65 Å²	65	84.7 Å²	84.7	29%	0.285	45%	0.447	S	S	.	.	H	α-helix	trans	-63.3	-43.9	175.2	-93.6	-89.8	0	0	0	111.2	V56 E57 W58 R64 I92	V56-F60 HydrophobicContact CG1-CD2 3.45Å; V56-F60 VanDerWaalsContact CG1-CD2 3.45Å; V56-F60 HydrophobicContact CG1-CE2 3.45Å; V56-F60 VanDerWaalsContact CG1-CE2 3.45Å; V56-F60 WeakPolarHBondContact O-CB 3.12Å; V56-F60 WeakPolarHBondContact O-CD2 3.34Å; V56-F60 PolarHBondContact O-N 3.42Å; E57-F60 CarbonylContact O-C 3.57Å; E57-F60 WeakPolarHBondContact O-CB 3.19Å; E57-F60 PolarHBondContact O-N 3.2Å; W58-F60 VanDerWaalsContact C-N 3.33Å; F60-R64 WeakPolarHBondContact O-CB 3.26Å; F60-R64 PolarHBondContact O-N 3.15Å; F60-I92 HydrophobicContact CD1-CD1 3.74Å; F60-I92 HydrophobicContact CD2-CD1 3.95Å; F60-I92 HydrophobicContact CD2-CG2 4.22Å; F60-I92 HydrophobicContact CE1-CD1 3.8Å; F60-I92 HydrophobicContact CE2-CD1 4.04Å; F60-I92 HydrophobicContact CE2-CG2 3.65Å; F60-I92 HydrophobicContact CG-CD1 3.83Å; F60-I92 HydrophobicContact CZ-CD1 3.96Å; F60-I92 HydrophobicContact CZ-CG2 4.03Å
61	D	62.2	Low	53.1	Low	92 Å²	92	82.9 Å²	82.9	49%	0.492	43%	0.432	S	S	.	.	H	α-helix	trans	-69.9	-38.7	176.4	-79.4	-14.2	0	0	0	112.2	E57 W58 R64 G65	E57-D61 WeakPolarHBondContact O-CB 3.47Å; E57-D61 PolarHBondContact O-N 3.48Å; W58-D61 PolarHBondContact O-N 2.66Å; D61-R64 PolarHBondContact O-N 2.72Å; D61-G65 WeakPolarHBondContact O-CA 3.38Å; D61-G65 PolarHBondContact O-N 3.5Å
62	F	60.4	Low	52.9	Low	108 Å²	108	82.8 Å²	82.8	47%	0.474	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-48.2	175.3	175.9	-106.6	0	0	0	110.6	W58 I59 G65 I66	W58-F62 WeakPolarHBondContact O-CB 3.36Å; W58-F62 PolarHBondContact O-N 3.48Å; I59-F62 HydrophobicContact CD1-CD1 4.36Å; I59-F62 PolarHBondContact O-N 2.86Å; F62-G65 PolarHBondContact O-N 3.15Å; F62-I66 HydrophobicContact CD1-CD1 3.94Å; F62-I66 HydrophobicContact CE1-CD1 3.45Å; F62-I66 VanDerWaalsContact CE1-CD1 3.45Å; F62-I66 HydrophobicContact CE2-CD1 4.39Å; F62-I66 HydrophobicContact CZ-CD1 3.71Å; F62-I66 HydrophobicContact CZ-CG1 4.49Å; F62-I66 WeakPolarHBondContact O-CG1 3.44Å; F62-I66 PolarHBondContact O-N 2.94Å
63	V	53.2	Low	52.2	Low	8 Å²	8	84.3 Å²	84.3	5%	0.048	43%	0.425	C	S	.	.	H	α-helix	trans	-76.9	-35.8	-178.7	-167.3	0	0	0	0	111.3	I59 G65 I66 I67 L88	I59-V63 HydrophobicContact CG1-CG2 4.37Å; I59-V63 WeakPolarHBondContact O-CG2 3.05Å; I59-V63 PolarHBondContact O-N 3.17Å; V63-G65 PolarHBondContact O-N 3.36Å; V63-I66 PolarHBondContact O-N 3.15Å; V63-I67 HydrophobicContact CG1-CD1 3.86Å; V63-I67 HydrophobicContact CG1-CG1 4.46Å; V63-I67 WeakPolarHBondContact O-CB 3.48Å; V63-I67 VanDerWaalsContact O-CD1 3.26Å; V63-I67 WeakPolarHBondContact O-CD1 3.07Å; V63-I67 WeakPolarHBondContact O-CG1 3.34Å; V63-I67 PolarHBondContact O-N 3.22Å; V63-L88 HydrophobicContact CB-CD1 3.41Å; V63-L88 VanDerWaalsContact CB-CD1 3.41Å; V63-L88 HydrophobicContact CG1-CD1 3.02Å; V63-L88 HydrophobicContact CG1-CG 4.33Å; V63-L88 HydrophobicContact CG2-CD1 4.1Å
64	R	52.3	Low	52.2	Low	119 Å²	119	89 Å²	89	45%	0.449	44%	0.444	S	S	.	.	H	α-helix	trans	-56.5	-39.9	167	175.8	-176.9	-89.4	-105.5	7.4	110.8	F60 D61 I67 E68	F60-R64 WeakPolarHBondContact O-CB 3.26Å; F60-R64 PolarHBondContact O-N 3.15Å; D61-R64 PolarHBondContact O-N 2.72Å; R64-I67 CarbonylContact O-C 3.43Å; R64-I67 PolarHBondContact O-N 2.75Å; R64-E68 VanDerWaalsContact CD-OE1 3.26Å; R64-E68 WeakPolarHBondContact CD-OE1 3.19Å; R64-E68 HydrophobicContact CG-CG 3.95Å; R64-E68 WeakPolarHBondContact CG-OE1 3.48Å; R64-E68 IonicContact CZ-OE1 3.67Å; R64-E68 IonicContact NE-OE1 3.83Å; R64-E68 IonicContact NH1-OE1 2.78Å; R64-E68 PolarHBondContact NH1-OE1 2.8Å; R64-E68 VanDerWaalsContact O-CB 3.29Å; R64-E68 WeakPolarHBondContact O-CB 2.96Å; R64-E68 WeakPolarHBondContact O-CG 3.45Å; R64-E68 PolarHBondContact O-N 3.45Å
65	G	54.3	Low	51.8	Low	39 Å²	39	92.7 Å²	92.7	40%	0.402	46%	0.455	S	S	.	.	H	α-helix	trans	-68.2	-37.6	177.2	0	0	0	0	0	113.1	D61 F62 V63 I67 G69	D61-G65 WeakPolarHBondContact O-CA 3.38Å; D61-G65 PolarHBondContact O-N 3.5Å; F62-G65 PolarHBondContact O-N 3.15Å; V63-G65 PolarHBondContact O-N 3.36Å; G65-I67 VanDerWaalsContact C-N 3.28Å; G65-I67 PolarHBondContact O-N 2.71Å; G65-G69 WeakPolarHBondContact O-CA 3.42Å; G65-G69 PolarHBondContact O-N 3.19Å
66	I	51.3	Low	51.1	Low	63 Å²	63	87.8 Å²	87.8	32%	0.323	44%	0.441	S	S	.	.	H	α-helix	trans	-61.2	-41.1	169.3	-68.2	168.8	0	0	0	110.4	F62 V63 N70	F62-I66 HydrophobicContact CD1-CD1 3.94Å; F62-I66 HydrophobicContact CE1-CD1 3.45Å; F62-I66 VanDerWaalsContact CE1-CD1 3.45Å; F62-I66 HydrophobicContact CE2-CD1 4.39Å; F62-I66 HydrophobicContact CZ-CD1 3.71Å; F62-I66 HydrophobicContact CZ-CG1 4.49Å; F62-I66 WeakPolarHBondContact O-CG1 3.44Å; F62-I66 PolarHBondContact O-N 2.94Å; V63-I66 PolarHBondContact O-N 3.15Å; I66-N70 WeakPolarHBondContact O-CB 3.39Å; I66-N70 PolarHBondContact O-N 3.4Å; I66-N70 VanDerWaalsContact O-N 3.17Å; I66-N70 PolarHBondContact O-ND2 2.93Å
67	I	48.7	Very low	51	Low	27 Å²	27	87.1 Å²	87.1	14%	0.138	44%	0.442	C	S	.	.	H	α-helix	trans	-75.1	-50	-175.9	-70.4	159.8	0	0	0	112	V63 R64 G65 G69 N70 M71 V84 L88	V63-I67 HydrophobicContact CG1-CD1 3.86Å; V63-I67 HydrophobicContact CG1-CG1 4.46Å; V63-I67 WeakPolarHBondContact O-CB 3.48Å; V63-I67 VanDerWaalsContact O-CD1 3.26Å; V63-I67 WeakPolarHBondContact O-CD1 3.07Å; V63-I67 WeakPolarHBondContact O-CG1 3.34Å; V63-I67 PolarHBondContact O-N 3.22Å; R64-I67 CarbonylContact O-C 3.43Å; R64-I67 PolarHBondContact O-N 2.75Å; G65-I67 VanDerWaalsContact C-N 3.28Å; G65-I67 PolarHBondContact O-N 2.71Å; I67-G69 VanDerWaalsContact C-N 3.3Å; I67-N70 PolarHBondContact O-N 3.09Å; I67-N70 VanDerWaalsContact O-N 3.15Å; I67-M71 PolarHBondContact O-N 3.38Å; I67-M71 VanDerWaalsContact O-N 3.15Å; I67-V84 HydrophobicContact CB-CG1 4.31Å; I67-V84 HydrophobicContact CD1-CG1 3.7Å; I67-V84 HydrophobicContact CG1-CG1 3.82Å; I67-V84 HydrophobicContact CG2-CG1 3.5Å; I67-V84 VanDerWaalsContact CG2-CG1 3.5Å; I67-L88 HydrophobicContact CD1-CB 4.09Å; I67-L88 HydrophobicContact CD1-CD1 4.07Å; I67-L88 HydrophobicContact CD1-CD2 3.67Å; I67-L88 HydrophobicContact CD1-CG 4.17Å
68	E	52.5	Low	50.5	Low	113 Å²	113	90.7 Å²	90.7	53%	0.528	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.2	-73.6	-179.7	-175.5	0	0	110.2	R64 N70 M71	R64-E68 VanDerWaalsContact CD-OE1 3.26Å; R64-E68 WeakPolarHBondContact CD-OE1 3.19Å; R64-E68 HydrophobicContact CG-CG 3.95Å; R64-E68 WeakPolarHBondContact CG-OE1 3.48Å; R64-E68 IonicContact CZ-OE1 3.67Å; R64-E68 IonicContact NE-OE1 3.83Å; R64-E68 IonicContact NH1-OE1 2.78Å; R64-E68 PolarHBondContact NH1-OE1 2.8Å; R64-E68 VanDerWaalsContact O-CB 3.29Å; R64-E68 WeakPolarHBondContact O-CB 2.96Å; R64-E68 WeakPolarHBondContact O-CG 3.45Å; R64-E68 PolarHBondContact O-N 3.45Å; E68-N70 PolarHBondContact O-N 2.79Å; E68-M71 PolarHBondContact O-N 3.49Å
69	G	50.5	Low	49.8	Very low	66 Å²	66	88.2 Å²	88.2	68%	0.68	45%	0.452	S	S	*	.	H	α-helix	trans	-65.1	-20.9	175.1	0	0	0	0	0	114.2	G65 I67	G65-G69 WeakPolarHBondContact O-CA 3.42Å; G65-G69 PolarHBondContact O-N 3.19Å; I67-G69 VanDerWaalsContact C-N 3.3Å
70	N	45.4	Very low	49.6	Very low	87 Å²	87	86.8 Å²	86.8	47%	0.465	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-1.6	176.2	-85	-85.5	0	0	0	114.2	I66 I67 E68 Y224	I66-N70 WeakPolarHBondContact O-CB 3.39Å; I66-N70 PolarHBondContact O-N 3.4Å; I66-N70 VanDerWaalsContact O-N 3.17Å; I66-N70 PolarHBondContact O-ND2 2.93Å; I67-N70 PolarHBondContact O-N 3.09Å; I67-N70 VanDerWaalsContact O-N 3.15Å; E68-N70 PolarHBondContact O-N 2.79Å; N70-Y224 HydrophobicContact CB-CE1 4.25Å
71	M	44.2	Very low	49.4	Very low	63 Å²	63	88.9 Å²	88.9	31%	0.31	45%	0.454	S	S	.	.			trans	-106.2	98.4	-174.6	-150.4	177.1	-170.7	0	0	115	I67 E68 H80 M231	I67-M71 PolarHBondContact O-N 3.38Å; I67-M71 VanDerWaalsContact O-N 3.15Å; E68-M71 PolarHBondContact O-N 3.49Å; M71-H80 HydrophobicContact CE-CB 4.06Å; M71-H80 WeakPolarHBondContact CE-CD2 3.18Å; M71-H80 PolarHBondContact SD-CD2 3.23Å; M71-M231 HydrophobicContact CE-SD 4.11Å
72	A	42.9	Very low	48.7	Very low	70 Å²	70	89.8 Å²	89.8	58%	0.579	46%	0.458	S	S	*	.			trans	-70.4	121.9	158.5	0	0	0	0	0	112
73	W	35.5	Very low	48.3	Very low	217 Å²	217	84.8 Å²	84.8	82%	0.822	44%	0.437	S	S	*	.			trans	48.6	92.6	139.9	-58.4	86.8	0	0	0	120.3
74	K	46.1	Very low	48.1	Very low	164 Å²	164	84.9 Å²	84.9	71%	0.713	44%	0.437	S	S	*	.	S	Bend		57.4	73.5	110.3	-166.9	-177.1	164.7	-173.7	0	117.5
75	K	47.1	Very low	48	Very low	191 Å²	191	82.1 Å²	82.1	83%	0.83	43%	0.434	S	S	*	.	S	Bend		176.7	-13.2	124.2	-99.6	174	-176.3	175.1	0	114.4	G77	K75-G77 PolarHBondContact O-N 3.25Å
76	G	43.2	Very low	47.9	Very low	26 Å²	26	82.7 Å²	82.7	27%	0.268	43%	0.427	S	S	.	.	S	Bend	trans	-81.9	2.6	162	0	0	0	0	0	114.1	Q78 F79 H80 M231	G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 2.84Å; G76-Q78 VanDerWaalsContact O-N 3.14Å; G76-F79 PolarHBondContact O-N 3.43Å; G76-H80 PolarHBondContact O-N 2.96Å; G76-M231 WeakPolarHBondContact O-CE 3.05Å
77	G	49.2	Very low	47.9	Very low	25 Å²	25	80.3 Å²	80.3	26%	0.258	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-24.4	-163.6	0	0	0	0	0	116.6	K75 F81	K75-G77 PolarHBondContact O-N 3.25Å; G77-F81 WeakPolarHBondContact O-CB 3.47Å; G77-F81 PolarHBondContact O-N 3.03Å
78	Q	48.4	Very low	48.1	Very low	172 Å²	172	79.9 Å²	79.9	80%	0.804	41%	0.413	S	S	*	.	H	α-helix	trans	-68.8	-41.9	-179.4	-64.8	-88.6	103	0	0	112.2	G76	G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 2.84Å; G76-Q78 VanDerWaalsContact O-N 3.14Å
79	F	49	Very low	48.1	Very low	103 Å²	103	76.3 Å²	76.3	45%	0.452	40%	0.395	S	S	.	.	H	α-helix	trans	-84.5	-35.9	-177.4	-69.1	-71.6	0	0	0	112.4	G76 L82 A83 M139	G76-F79 PolarHBondContact O-N 3.43Å; F79-L82 PolarHBondContact O-N 2.83Å; F79-A83 WeakPolarHBondContact O-CB 3.16Å; F79-A83 PolarHBondContact O-N 2.86Å; F79-M139 HydrophobicContact CE1-CB 4.23Å; F79-M139 HydrophobicContact CE1-CE 4.21Å; F79-M139 HydrophobicContact CE1-CG 4.05Å; F79-M139 HydrophobicContact CE2-CB 3.97Å; F79-M139 HydrophobicContact CZ-CB 3.72Å; F79-M139 HydrophobicContact CZ-CE 3.58Å; F79-M139 HydrophobicContact CZ-CG 3.88Å
80	H	50.9	Low	48.4	Very low	5 Å²	5	74.1 Å²	74.1	2%	0.023	37%	0.368	C	S	.	.	H	α-helix	trans	-72.1	-40.7	178.3	-177	92.9	0	0	0	111.8	M71 G76 L82 A83 V84 Y224 I227 M231	M71-H80 HydrophobicContact CE-CB 4.06Å; M71-H80 WeakPolarHBondContact CE-CD2 3.18Å; M71-H80 PolarHBondContact SD-CD2 3.23Å; G76-H80 PolarHBondContact O-N 2.96Å; H80-L82 VanDerWaalsContact C-N 3.25Å; H80-L82 PolarHBondContact O-N 2.72Å; H80-A83 PolarHBondContact O-N 3.38Å; H80-V84 WeakPolarHBondContact NE2-CG2 3.42Å; H80-V84 WeakPolarHBondContact O-CB 3.11Å; H80-V84 WeakPolarHBondContact O-CG2 3.08Å; H80-V84 PolarHBondContact O-N 2.85Å; H80-Y224 AromaticContact CE1-CD2 3.8Å; H80-Y224 AromaticContact CE1-CE2 3.43Å; H80-Y224 VanDerWaalsContact CE1-CE2 3.43Å; H80-Y224 WeakPolarHBondContact CE1-CE2 3.18Å; H80-Y224 AromaticContact NE2-CD2 3.98Å; H80-Y224 AromaticContact NE2-CE2 3.18Å; H80-Y224 WeakPolarHBondContact NE2-CE2 3.45Å; H80-Y224 AromaticContact NE2-CZ 3.85Å; H80-I227 WeakPolarHBondContact ND1-CG2 3.43Å; H80-M231 HydrophobicContact CB-CE 3.42Å; H80-M231 VanDerWaalsContact CB-CE 3.42Å; H80-M231 HydrophobicContact CB-SD 4.4Å
81	F	49.5	Very low	48.9	Very low	108 Å²	108	71.2 Å²	71.2	47%	0.474	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-38.3	175.6	-171.3	-96	0	0	0	111.7	G77 T85	G77-F81 WeakPolarHBondContact O-CB 3.47Å; G77-F81 PolarHBondContact O-N 3.03Å; F81-T85 WeakPolarHBondContact O-CB 3.17Å; F81-T85 PolarHBondContact O-N 3.32Å; F81-T85 PolarHBondContact O-OG1 2.68Å
82	L	48.6	Very low	49.3	Very low	112 Å²	112	68.4 Å²	68.4	59%	0.586	34%	0.337	S	S	*	.	H	α-helix	trans	-69.6	-47	178	-169	149.7	0	0	0	112.2	F79 H80 V84 T85 L86	F79-L82 PolarHBondContact O-N 2.83Å; H80-L82 VanDerWaalsContact C-N 3.25Å; H80-L82 PolarHBondContact O-N 2.72Å; L82-V84 VanDerWaalsContact C-N 3.31Å; L82-V84 PolarHBondContact O-N 2.99Å; L82-T85 PolarHBondContact O-N 3.38Å; L82-L86 VanDerWaalsContact O-CB 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 PolarHBondContact O-N 2.91Å
83	A	50.8	Low	49.7	Very low	3 Å²	3	65.9 Å²	65.9	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-45.4	176.9	0	0	0	0	0	111.7	F79 H80 L86 I87 T132	F79-A83 WeakPolarHBondContact O-CB 3.16Å; F79-A83 PolarHBondContact O-N 2.86Å; H80-A83 PolarHBondContact O-N 3.38Å; A83-L86 PolarHBondContact O-N 3.39Å; A83-I87 WeakPolarHBondContact O-CB 3.48Å; A83-I87 WeakPolarHBondContact O-CD1 3.09Å; A83-I87 WeakPolarHBondContact O-CG1 3.39Å; A83-I87 PolarHBondContact O-N 2.81Å; A83-T132 HydrophobicContact CB-CG2 3.5Å; A83-T132 VanDerWaalsContact CB-CG2 3.5Å
84	V	48.9	Very low	50.9	Low	9 Å²	9	57.1 Å²	57.1	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-42.6	179.9	174.1	0	0	0	0	111	I67 H80 L82 L86 I87 L88 Y224	I67-V84 HydrophobicContact CB-CG1 4.31Å; I67-V84 HydrophobicContact CD1-CG1 3.7Å; I67-V84 HydrophobicContact CG1-CG1 3.82Å; I67-V84 HydrophobicContact CG2-CG1 3.5Å; I67-V84 VanDerWaalsContact CG2-CG1 3.5Å; H80-V84 WeakPolarHBondContact NE2-CG2 3.42Å; H80-V84 WeakPolarHBondContact O-CB 3.11Å; H80-V84 WeakPolarHBondContact O-CG2 3.08Å; H80-V84 PolarHBondContact O-N 2.85Å; L82-V84 VanDerWaalsContact C-N 3.31Å; L82-V84 PolarHBondContact O-N 2.99Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 2.8Å; V84-I87 PolarHBondContact O-N 3.21Å; V84-L88 WeakPolarHBondContact O-CA 3.33Å; V84-L88 WeakPolarHBondContact O-CB 3.05Å; V84-L88 PolarHBondContact O-N 2.64Å; V84-Y224 HydrophobicContact CG1-CE2 4.27Å; V84-Y224 HydrophobicContact CG2-CD2 3.65Å; V84-Y224 HydrophobicContact CG2-CE2 3.58Å
85	T	50.2	Low	51.2	Low	61 Å²	61	52.4 Å²	52.4	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-36	174.9	-59.9	0	0	0	0	111.2	F81 L82 L88 Y89	F81-T85 WeakPolarHBondContact O-CB 3.17Å; F81-T85 PolarHBondContact O-N 3.32Å; F81-T85 PolarHBondContact O-OG1 2.68Å; L82-T85 PolarHBondContact O-N 3.38Å; T85-L88 WeakPolarHBondContact O-CB 3.04Å; T85-Y89 WeakPolarHBondContact O-CB 3.27Å; T85-Y89 PolarHBondContact O-N 3.3Å
86	L	53.1	Low	51.4	Low	51 Å²	51	46 Å²	46	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-76.8	-39.8	-179.5	-168	76.8	0	0	0	112.4	L82 A83 V84 Y89 I90 I128	L82-L86 VanDerWaalsContact O-CB 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 PolarHBondContact O-N 2.91Å; A83-L86 PolarHBondContact O-N 3.39Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 2.8Å; L86-Y89 HydrophobicContact CD1-CD1 4.19Å; L86-Y89 CarbonylContact O-C 3.5Å; L86-Y89 WeakPolarHBondContact O-CB 3.16Å; L86-Y89 PolarHBondContact O-N 3.43Å; L86-I90 HydrophobicContact CG-CD1 4.26Å; L86-I90 WeakPolarHBondContact O-CD1 3.37Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.34Å; L86-I90 PolarHBondContact O-N 3.47Å; L86-I128 HydrophobicContact CD2-CD1 4.19Å; L86-I128 HydrophobicContact CD2-CG2 3.54Å
87	I	51.8	Low	51.7	Low	13 Å²	13	46.1 Å²	46.1	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-42.1	174.1	-69.9	164.8	0	0	0	110	A83 V84 Y89 I90 F91 I129 T220	A83-I87 WeakPolarHBondContact O-CB 3.48Å; A83-I87 WeakPolarHBondContact O-CD1 3.09Å; A83-I87 WeakPolarHBondContact O-CG1 3.39Å; A83-I87 PolarHBondContact O-N 2.81Å; V84-I87 PolarHBondContact O-N 3.21Å; I87-Y89 PolarHBondContact O-N 2.76Å; I87-I90 PolarHBondContact O-N 3.4Å; I87-F91 VanDerWaalsContact O-CB 3.27Å; I87-F91 WeakPolarHBondContact O-CB 3.32Å; I87-F91 PolarHBondContact O-N 2.88Å; I87-I129 HydrophobicContact CD1-CD1 4.14Å; I87-I129 HydrophobicContact CD1-CG1 3.75Å; I87-I129 HydrophobicContact CG1-CD1 4.31Å; I87-I129 HydrophobicContact CG1-CG1 4.08Å; I87-T220 HydrophobicContact CG2-CG2 3.1Å
88	L	51.6	Low	51.9	Low	19 Å²	19	46.4 Å²	46.4	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-53.9	-46.9	168.5	170.8	58.7	0	0	0	110.9	V63 I67 V84 T85 F91 I92	V63-L88 HydrophobicContact CB-CD1 3.41Å; V63-L88 VanDerWaalsContact CB-CD1 3.41Å; V63-L88 HydrophobicContact CG1-CD1 3.02Å; V63-L88 HydrophobicContact CG1-CG 4.33Å; V63-L88 HydrophobicContact CG2-CD1 4.1Å; I67-L88 HydrophobicContact CD1-CB 4.09Å; I67-L88 HydrophobicContact CD1-CD1 4.07Å; I67-L88 HydrophobicContact CD1-CD2 3.67Å; I67-L88 HydrophobicContact CD1-CG 4.17Å; V84-L88 WeakPolarHBondContact O-CA 3.33Å; V84-L88 WeakPolarHBondContact O-CB 3.05Å; V84-L88 PolarHBondContact O-N 2.64Å; T85-L88 WeakPolarHBondContact O-CB 3.04Å; L88-F91 PolarHBondContact O-N 2.92Å; L88-I92 HydrophobicContact CD1-CD1 3.41Å; L88-I92 VanDerWaalsContact CD1-CD1 3.41Å; L88-I92 HydrophobicContact CD1-CG1 3.86Å; L88-I92 HydrophobicContact CD2-CD1 4.4Å; L88-I92 HydrophobicContact CG-CD1 3.73Å; L88-I92 HydrophobicContact CG-CG1 4.46Å; L88-I92 WeakPolarHBondContact O-CB 3.5Å; L88-I92 VanDerWaalsContact O-CG1 3.28Å; L88-I92 WeakPolarHBondContact O-CG1 3.27Å; L88-I92 PolarHBondContact O-N 3.45Å
89	Y	52.6	Low	52	Low	37 Å²	37	41.7 Å²	41.7	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-43.3	178.2	168.9	-104.7	0	0	0	111.6	L37 A38 C41 T85 L86 I87 F91 A93	L37-Y89 PolarHBondContact O-OH 2.64Å; L37-Y89 VanDerWaalsContact O-OH 3.14Å; A38-Y89 WeakPolarHBondContact CA-OH 3.39Å; C41-Y89 HydrophobicContact CB-CD2 4.13Å; C41-Y89 HydrophobicContact CB-CE2 3.05Å; C41-Y89 WeakPolarHBondContact CB-OH 3.09Å; C41-Y89 PolarHBondContact SG-OH 2.85Å; T85-Y89 WeakPolarHBondContact O-CB 3.27Å; T85-Y89 PolarHBondContact O-N 3.3Å; L86-Y89 HydrophobicContact CD1-CD1 4.19Å; L86-Y89 CarbonylContact O-C 3.5Å; L86-Y89 WeakPolarHBondContact O-CB 3.16Å; L86-Y89 PolarHBondContact O-N 3.43Å; I87-Y89 PolarHBondContact O-N 2.76Å; Y89-F91 VanDerWaalsContact C-N 3.35Å; Y89-A93 HydrophobicContact CE2-CB 4.3Å; Y89-A93 WeakPolarHBondContact O-CA 3.12Å; Y89-A93 WeakPolarHBondContact O-CB 3.08Å; Y89-A93 PolarHBondContact O-N 2.85Å
90	I	58.2	Low	52	Low	21 Å²	21	46 Å²	46	11%	0.108	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-41.2	175.3	-74	157.9	0	0	0	110.7	L86 I87 A93 N94	L86-I90 HydrophobicContact CG-CD1 4.26Å; L86-I90 WeakPolarHBondContact O-CD1 3.37Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.34Å; L86-I90 PolarHBondContact O-N 3.47Å; I87-I90 PolarHBondContact O-N 3.4Å; I90-A93 PolarHBondContact O-N 3.17Å; I90-N94 VanDerWaalsContact O-CB 3.29Å; I90-N94 WeakPolarHBondContact O-CB 3.42Å; I90-N94 PolarHBondContact O-N 2.93Å; I90-N94 PolarHBondContact O-OD1 3.46Å
91	F	56.1	Low	51.9	Low	25 Å²	25	47.4 Å²	47.4	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-47.6	178.6	177.8	-111.4	0	0	0	111.9	I87 L88 Y89 N94 M95 F217	I87-F91 VanDerWaalsContact O-CB 3.27Å; I87-F91 WeakPolarHBondContact O-CB 3.32Å; I87-F91 PolarHBondContact O-N 2.88Å; L88-F91 PolarHBondContact O-N 2.92Å; Y89-F91 VanDerWaalsContact C-N 3.35Å; F91-N94 PolarHBondContact O-N 3.36Å; F91-M95 PolarHBondContact O-N 2.72Å; F91-F217 AromaticContact CD1-CD2 3.48Å; F91-F217 HydrophobicContact CD1-CD2 3.48Å; F91-F217 VanDerWaalsContact CD1-CD2 3.48Å; F91-F217 AromaticContact CD1-CE2 3.6Å; F91-F217 HydrophobicContact CD1-CE2 3.6Å; F91-F217 HydrophobicContact CD2-CB 3.88Å; F91-F217 AromaticContact CD2-CD2 3.47Å; F91-F217 HydrophobicContact CD2-CD2 3.47Å; F91-F217 VanDerWaalsContact CD2-CD2 3.47Å; F91-F217 HydrophobicContact CD2-CE2 4.42Å; F91-F217 HydrophobicContact CD2-CG 4.08Å; F91-F217 AromaticContact CE1-CD2 3.17Å; F91-F217 HydrophobicContact CE1-CD2 3.17Å; F91-F217 AromaticContact CE1-CE2 3.26Å; F91-F217 HydrophobicContact CE1-CE2 3.26Å; F91-F217 AromaticContact CE1-CG 3.98Å; F91-F217 HydrophobicContact CE1-CG 3.98Å; F91-F217 HydrophobicContact CE1-CZ 4.16Å; F91-F217 HydrophobicContact CE2-CB 3.25Å; F91-F217 AromaticContact CE2-CD2 3.22Å; F91-F217 HydrophobicContact CE2-CD2 3.22Å; F91-F217 HydrophobicContact CE2-CE2 4.2Å; F91-F217 AromaticContact CE2-CG 3.47Å; F91-F217 HydrophobicContact CE2-CG 3.47Å; F91-F217 VanDerWaalsContact CE2-CG 3.47Å; F91-F217 AromaticContact CG-CD2 3.62Å; F91-F217 HydrophobicContact CG-CD2 3.62Å; F91-F217 HydrophobicContact CG-CE2 4.17Å; F91-F217 HydrophobicContact CZ-CB 3.68Å; F91-F217 HydrophobicContact CZ-CD1 4.23Å; F91-F217 AromaticContact CZ-CD2 3.03Å; F91-F217 HydrophobicContact CZ-CD2 3.03Å; F91-F217 AromaticContact CZ-CE2 3.61Å; F91-F217 HydrophobicContact CZ-CE2 3.61Å; F91-F217 AromaticContact CZ-CG 3.38Å; F91-F217 HydrophobicContact CZ-CG 3.38Å; F91-F217 HydrophobicContact CZ-CZ 4.4Å
92	I	51.2	Low	51.8	Low	5 Å²	5	46.4 Å²	46.4	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-67	-40.2	175.3	-66.8	170.3	0	0	0	110.3	I59 F60 L88 N94 M95 L96	I59-I92 HydrophobicContact CG2-CG2 4.38Å; F60-I92 HydrophobicContact CD1-CD1 3.74Å; F60-I92 HydrophobicContact CD2-CD1 3.95Å; F60-I92 HydrophobicContact CD2-CG2 4.22Å; F60-I92 HydrophobicContact CE1-CD1 3.8Å; F60-I92 HydrophobicContact CE2-CD1 4.04Å; F60-I92 HydrophobicContact CE2-CG2 3.65Å; F60-I92 HydrophobicContact CG-CD1 3.83Å; F60-I92 HydrophobicContact CZ-CD1 3.96Å; F60-I92 HydrophobicContact CZ-CG2 4.03Å; L88-I92 HydrophobicContact CD1-CD1 3.41Å; L88-I92 VanDerWaalsContact CD1-CD1 3.41Å; L88-I92 HydrophobicContact CD1-CG1 3.86Å; L88-I92 HydrophobicContact CD2-CD1 4.4Å; L88-I92 HydrophobicContact CG-CD1 3.73Å; L88-I92 HydrophobicContact CG-CG1 4.46Å; L88-I92 WeakPolarHBondContact O-CB 3.5Å; L88-I92 VanDerWaalsContact O-CG1 3.28Å; L88-I92 WeakPolarHBondContact O-CG1 3.27Å; L88-I92 PolarHBondContact O-N 3.45Å; I92-N94 VanDerWaalsContact C-N 3.3Å; I92-N94 PolarHBondContact O-N 3.28Å; I92-M95 PolarHBondContact O-N 3.39Å; I92-L96 HydrophobicContact CG2-CD1 3.56Å; I92-L96 HydrophobicContact CG2-CG 3.95Å; I92-L96 VanDerWaalsContact O-CB 3.28Å; I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 VanDerWaalsContact O-CG 3.27Å; I92-L96 WeakPolarHBondContact O-CG 3.26Å; I92-L96 PolarHBondContact O-N 2.9Å
93	A	52.7	Low	51.8	Low	17 Å²	17	44.7 Å²	44.7	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-38.4	176.8	0	0	0	0	0	111.3	Y89 I90 G97	Y89-A93 HydrophobicContact CE2-CB 4.3Å; Y89-A93 WeakPolarHBondContact O-CA 3.12Å; Y89-A93 WeakPolarHBondContact O-CB 3.08Å; Y89-A93 PolarHBondContact O-N 2.85Å; I90-A93 PolarHBondContact O-N 3.17Å; A93-G97 WeakPolarHBondContact O-CA 3.28Å; A93-G97 PolarHBondContact O-N 2.73Å
94	N	59.1	Low	51	Low	32 Å²	32	49.9 Å²	49.9	17%	0.171	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-48.1	173.6	-76	0.7	0	0	0	110.5	I90 F91 I92 L96 G97 L98 I216	I90-N94 VanDerWaalsContact O-CB 3.29Å; I90-N94 WeakPolarHBondContact O-CB 3.42Å; I90-N94 PolarHBondContact O-N 2.93Å; I90-N94 PolarHBondContact O-OD1 3.46Å; F91-N94 PolarHBondContact O-N 3.36Å; I92-N94 VanDerWaalsContact C-N 3.3Å; I92-N94 PolarHBondContact O-N 3.28Å; N94-L96 VanDerWaalsContact C-N 3.32Å; N94-L96 PolarHBondContact O-N 3.43Å; N94-G97 PolarHBondContact O-N 2.95Å; N94-L98 WeakPolarHBondContact O-CB 3.3Å; N94-L98 WeakPolarHBondContact O-CD1 3.1Å; N94-L98 WeakPolarHBondContact O-CG 3.44Å; N94-L98 PolarHBondContact O-N 3.22Å; N94-I216 WeakPolarHBondContact ND2-CD1 3.33Å
95	M	52.4	Low	50.9	Low	65 Å²	65	55.5 Å²	55.5	32%	0.32	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-30	179.2	-174.3	36.4	60.1	0	0	113.6	F91 I92 L98 P99 A213	F91-M95 PolarHBondContact O-N 2.72Å; I92-M95 PolarHBondContact O-N 3.39Å; M95-L98 HydrophobicContact CE-CD1 3.78Å; M95-P99 WeakPolarHBondContact O-CD 3.07Å; M95-A213 HydrophobicContact CE-CB 3.05Å
96	L	53	Low	50.3	Low	56 Å²	56	58.7 Å²	58.7	29%	0.293	32%	0.315	S	S	.	.	H	α-helix	trans	-82	-30.3	173	-68.9	177.4	0	0	0	113	V56 I92 N94 P99 F100	V56-L96 HydrophobicContact CG1-CD1 4.24Å; V56-L96 HydrophobicContact CG2-CD1 4.17Å; V56-L96 HydrophobicContact CG2-CD2 4.06Å; I92-L96 HydrophobicContact CG2-CD1 3.56Å; I92-L96 HydrophobicContact CG2-CG 3.95Å; I92-L96 VanDerWaalsContact O-CB 3.28Å; I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 VanDerWaalsContact O-CG 3.27Å; I92-L96 WeakPolarHBondContact O-CG 3.26Å; I92-L96 PolarHBondContact O-N 2.9Å; N94-L96 VanDerWaalsContact C-N 3.32Å; N94-L96 PolarHBondContact O-N 3.43Å; L96-P99 VanDerWaalsContact O-CD 3.28Å; L96-P99 WeakPolarHBondContact O-CD 3.44Å; L96-P99 VanDerWaalsContact O-CG 3.29Å; L96-P99 WeakPolarHBondContact O-CG 3.22Å; L96-F100 WeakPolarHBondContact O-CD2 3.46Å
97	G	48.2	Very low	49.8	Very low	29 Å²	29	65.3 Å²	65.3	30%	0.299	34%	0.344	S	S	.	.	H	α-helix	trans	-73.3	-32.4	177.3	0	0	0	0	0	112.6	A93 N94 F100 S101	A93-G97 WeakPolarHBondContact O-CA 3.28Å; A93-G97 PolarHBondContact O-N 2.73Å; N94-G97 PolarHBondContact O-N 2.95Å; G97-F100 CarbonylContact O-C 3.51Å; G97-F100 PolarHBondContact O-N 3.4Å; G97-S101 WeakPolarHBondContact O-CB 3.12Å; G97-S101 PolarHBondContact O-N 3.24Å
98	L	52.9	Low	49.1	Very low	31 Å²	31	70 Å²	70	16%	0.162	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-56.1	-48.2	178	-82.1	168.2	0	0	0	114.9	N94 M95 F100 S101 I102 I209 A213	N94-L98 WeakPolarHBondContact O-CB 3.3Å; N94-L98 WeakPolarHBondContact O-CD1 3.1Å; N94-L98 WeakPolarHBondContact O-CG 3.44Å; N94-L98 PolarHBondContact O-N 3.22Å; M95-L98 HydrophobicContact CE-CD1 3.78Å; L98-F100 VanDerWaalsContact C-N 3.27Å; L98-F100 PolarHBondContact O-N 3.24Å; L98-S101 CarbonylContact O-C 3.56Å; L98-S101 PolarHBondContact O-N 3.28Å; L98-S101 VanDerWaalsContact O-N 3.11Å; L98-I102 PolarHBondContact O-N 2.84Å; L98-I209 HydrophobicContact CB-CG2 3.55Å; L98-I209 HydrophobicContact CD1-CG2 3.84Å; L98-I209 HydrophobicContact CD2-CB 4.16Å; L98-I209 HydrophobicContact CD2-CG1 4.05Å; L98-I209 HydrophobicContact CD2-CG2 3.53Å; L98-I209 HydrophobicContact CG-CG2 3.79Å; L98-A213 HydrophobicContact CD1-CB 3.53Å
99	P	50.7	Low	48.8	Very low	74 Å²	74	76.1 Å²	76.1	48%	0.481	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-72.2	-14.7	173.9	28.7	-36.6	0	0	0	113.9	M95 L96 I102	M95-P99 WeakPolarHBondContact O-CD 3.07Å; L96-P99 VanDerWaalsContact O-CD 3.28Å; L96-P99 WeakPolarHBondContact O-CD 3.44Å; L96-P99 VanDerWaalsContact O-CG 3.29Å; L96-P99 WeakPolarHBondContact O-CG 3.22Å; P99-I102 WeakPolarHBondContact O-CG1 3.37Å
100	F	50.1	Low	48.2	Very low	194 Å²	194	82.7 Å²	82.7	85%	0.851	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-87.1	-16.6	168.2	-78.4	-71.3	0	0	0	112.5	L96 G97 L98	L96-F100 WeakPolarHBondContact O-CD2 3.46Å; G97-F100 CarbonylContact O-C 3.51Å; G97-F100 PolarHBondContact O-N 3.4Å; L98-F100 VanDerWaalsContact C-N 3.27Å; L98-F100 PolarHBondContact O-N 3.24Å
101	S	48.8	Very low	47.3	Very low	33 Å²	33	89 Å²	89	23%	0.231	45%	0.452	C	S	.	.	S	Bend	trans	-96.4	10.6	177.6	-167.8	0	0	0	0	113.6	G97 L98 V103	G97-S101 WeakPolarHBondContact O-CB 3.12Å; G97-S101 PolarHBondContact O-N 3.24Å; L98-S101 CarbonylContact O-C 3.56Å; L98-S101 PolarHBondContact O-N 3.28Å; L98-S101 VanDerWaalsContact O-N 3.11Å; S101-V103 PolarHBondContact O-N 2.71Å
102	I	48	Very low	46.7	Very low	87 Å²	87	94.8 Å²	94.8	45%	0.446	48%	0.478	S	S	.	.			trans	-73.8	97.9	171.8	45.9	158.5	0	0	0	110.7	L98 P99 T104 I205 I209	L98-I102 PolarHBondContact O-N 2.84Å; P99-I102 WeakPolarHBondContact O-CG1 3.37Å; I102-T104 PolarHBondContact O-N 2.9Å; I102-I205 HydrophobicContact CG2-CG2 4.4Å; I102-I209 HydrophobicContact CG2-CD1 3.42Å; I102-I209 VanDerWaalsContact CG2-CD1 3.42Å
103	V	47	Very low	46.5	Very low	76 Å²	76	96.2 Å²	96.2	46%	0.461	49%	0.488	S	S	.	.			trans	-21.3	99.1	152.8	-173.8	0	0	0	0	111.8	S101 W201	S101-V103 PolarHBondContact O-N 2.71Å; V103-W201 HydrophobicContact CB-CZ2 4.32Å; V103-W201 HydrophobicContact CG1-CH2 4.15Å; V103-W201 HydrophobicContact CG1-CZ2 3.6Å
104	T	35.5	Very low	46	Very low	113 Å²	113	96.2 Å²	96.2	69%	0.693	49%	0.487	S	S	*	.			trans	-93.2	109.1	165.5	-66.7	0	0	0	0	108.6	I102 D106	I102-T104 PolarHBondContact O-N 2.9Å; T104-D106 PolarHBondContact O-N 3.2Å
105	K	46.7	Very low	45.4	Very low	126 Å²	126	97.1 Å²	97.1	55%	0.548	49%	0.493	S	S	.	.	S	Bend	trans	22.3	-15.6	154.3	-101.3	-172.7	167.6	79.9	0	124.6	H107 W201	K105-H107 PolarHBondContact O-N 2.93Å; K105-W201 HydrophobicContact CB-CH2 4.38Å; K105-W201 HydrophobicContact CG-CH2 3.86Å; K105-W201 HydrophobicContact CG-CZ2 4.29Å; K105-W201 HydrophobicContact CG-CZ3 4.03Å
106	D	36.9	Very low	45.1	Very low	129 Å²	129	96.1 Å²	96.1	69%	0.69	50%	0.495	S	S	*	.			trans	-99.1	79.6	-167.1	-66.9	-34.7	0	0	0	113.3	T104 T108	T104-D106 PolarHBondContact O-N 3.2Å; D106-T108 PolarHBondContact O-N 3.37Å; D106-T108 PolarHBondContact O-OG1 2.82Å
107	H	41.9	Very low	45.1	Very low	190 Å²	190	96 Å²	96	88%	0.88	49%	0.494	S	S	*	.	S	Bend	trans	34.5	24.8	139.8	-100.8	-64.9	0	0	0	121.7	K105	K105-H107 PolarHBondContact O-N 2.93Å
108	T	38.2	Very low	45.2	Very low	112 Å²	112	95 Å²	95	69%	0.687	48%	0.484	S	S	*	.			trans	-139.4	101	170.7	52.8	0	0	0	0	111.1	D106 W110	D106-T108 PolarHBondContact O-N 3.37Å; D106-T108 PolarHBondContact O-OG1 2.82Å; T108-W110 PolarHBondContact O-N 2.97Å
109	L	43.9	Very low	45.2	Very low	146 Å²	146	94.7 Å²	94.7	76%	0.764	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	37.3	179.1	-65.9	157.7	0	0	0	113.3
110	W	41.3	Very low	45.3	Very low	176 Å²	176	95 Å²	95	67%	0.667	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-23.5	175.1	-85.7	85.6	0	0	0	112.8	S22 M26 T108	S22-W110 WeakPolarHBondContact OG-CZ3 3.29Å; M26-W110 WeakPolarHBondContact CE-O 3.38Å; M26-W110 VanDerWaalsContact SD-O 3.38Å; T108-W110 PolarHBondContact O-N 2.97Å
111	W	38.6	Very low	45.7	Very low	152 Å²	152	86.8 Å²	86.8	58%	0.576	45%	0.449	S	S	*	.			trans	-111.1	54.2	171	-153.5	-79.9	0	0	0	111.2	M26 V29 S113	M26-W111 HydrophobicContact CE-CB 4.31Å; M26-W111 HydrophobicContact CE-CD2 4.06Å; M26-W111 HydrophobicContact CE-CE3 4.41Å; M26-W111 HydrophobicContact CE-CG 4Å; M26-W111 HydrophobicContact SD-CD2 4.41Å; M26-W111 HydrophobicContact SD-CE3 4.18Å; V29-W111 HydrophobicContact CG1-CH2 3.58Å; V29-W111 HydrophobicContact CG1-CZ2 4.17Å; V29-W111 HydrophobicContact CG1-CZ3 4.38Å; W111-S113 VanDerWaalsContact C-N 3.32Å; W111-S113 PolarHBondContact O-N 3.45Å
112	K	43.5	Very low	45.8	Very low	148 Å²	148	85.3 Å²	85.3	64%	0.643	44%	0.439	S	S	*	.			trans	-63.5	102.7	160.1	176.4	165.6	178.6	151.7	0	104.8	M26 P114	M26-K112 WeakPolarHBondContact CE-O 3.21Å; K112-P114 WeakPolarHBondContact O-CD 3.48Å
113	S	47.7	Very low	46.4	Very low	34 Å²	34	84.4 Å²	84.4	24%	0.238	44%	0.437	C	S	.	.			trans	-63.8	109.9	-177.1	-61.2	0	0	0	0	111	W111 T115 A116	W111-S113 VanDerWaalsContact C-N 3.32Å; W111-S113 PolarHBondContact O-N 3.45Å; S113-T115 PolarHBondContact O-N 2.8Å; S113-A116 VanDerWaalsContact O-CB 3.28Å; S113-A116 WeakPolarHBondContact O-CB 3.19Å; S113-A116 PolarHBondContact O-N 2.69Å
114	P	41.2	Very low	46.8	Very low	18 Å²	18	85.3 Å²	85.3	12%	0.117	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-69.3	2.4	160.3	19.5	-24.1	0	0	0	112.9	M26 I27 T30 K112 A116 D117	M26-P114 VanDerWaalsContact C-CG 3.46Å; M26-P114 HydrophobicContact CB-CG 3.96Å; M26-P114 WeakPolarHBondContact O-CG 3.41Å; I27-P114 HydrophobicContact CG1-CB 4.04Å; I27-P114 HydrophobicContact CG1-CG 4.14Å; T30-P114 VanDerWaalsContact CG2-C 3.47Å; T30-P114 HydrophobicContact CG2-CB 4.34Å; T30-P114 HydrophobicContact CG2-CG 4.26Å; T30-P114 WeakPolarHBondContact OG1-CD 3.48Å; T30-P114 VanDerWaalsContact OG1-CG 3.29Å; T30-P114 WeakPolarHBondContact OG1-CG 3.34Å; K112-P114 WeakPolarHBondContact O-CD 3.48Å; P114-A116 PolarHBondContact O-N 2.76Å; P114-D117 WeakPolarHBondContact O-CB 3.42Å; P114-D117 PolarHBondContact O-N 3.27Å
115	T	47	Very low	47.6	Very low	51 Å²	51	80 Å²	80	31%	0.313	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22.2	166.3	-36.9	0	0	0	0	111.2	T30 V34 S113 D117	T30-T115 VanDerWaalsContact CG2-CA 3.49Å; T30-T115 HydrophobicContact CG2-CG2 4.47Å; T30-T115 WeakPolarHBondContact CG2-OG1 3.1Å; V34-T115 HydrophobicContact CG2-CG2 3.76Å; S113-T115 PolarHBondContact O-N 2.8Å; T115-D117 PolarHBondContact O-N 3.23Å
116	A	45.1	Very low	48	Very low	43 Å²	43	75.2 Å²	75.2	36%	0.355	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24.3	176.3	0	0	0	0	0	112	S113 P114 A118	S113-A116 VanDerWaalsContact O-CB 3.28Å; S113-A116 WeakPolarHBondContact O-CB 3.19Å; S113-A116 PolarHBondContact O-N 2.69Å; P114-A116 PolarHBondContact O-N 2.76Å; A116-A118 PolarHBondContact O-N 2.97Å
117	D	53.5	Low	48.9	Very low	53 Å²	53	72.6 Å²	72.6	28%	0.283	38%	0.377	S	S	.	.			trans	-65.1	84.2	175.4	-76.5	-50.1	0	0	0	109	P114 T115 T119 V120 T121	P114-D117 WeakPolarHBondContact O-CB 3.42Å; P114-D117 PolarHBondContact O-N 3.27Å; T115-D117 PolarHBondContact O-N 3.23Å; D117-T119 WeakPolarHBondContact CA-OG1 3.21Å; D117-T119 VanDerWaalsContact CB-OG1 3.25Å; D117-T119 WeakPolarHBondContact CB-OG1 3.37Å; D117-T119 PolarHBondContact O-N 3.44Å; D117-T119 PolarHBondContact OD1-OG1 3.38Å; D117-V120 HydrophobicContact CB-CG2 4.07Å; D117-V120 PolarHBondContact O-N 3.42Å; D117-T121 PolarHBondContact O-N 3.43Å
118	A	50.2	Low	49.5	Very low	9 Å²	9	65.7 Å²	65.7	7%	0.074	35%	0.346	C	S	.	.	H	α-helix	trans	-53.6	-22.7	165.3	0	0	0	0	0	108.9	A116 V120 T121 L122 I179 E183	A116-A118 PolarHBondContact O-N 2.97Å; A118-V120 PolarHBondContact O-N 2.97Å; A118-T121 WeakPolarHBondContact CA-OG1 3.37Å; A118-T121 PolarHBondContact O-OG1 3.3Å; A118-L122 VanDerWaalsContact O-CA 3.24Å; A118-L122 WeakPolarHBondContact O-CA 3.46Å; A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 PolarHBondContact O-N 2.77Å; A118-I179 HydrophobicContact CB-CG2 4.37Å; A118-E183 HydrophobicContact CB-CG 4.4Å; A118-E183 WeakPolarHBondContact CB-OE2 3.37Å; A118-E183 PolarHBondContact N-OE2 3.43Å
119	T	53.1	Low	50.1	Low	24 Å²	24	61 Å²	61	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-52.1	-42.5	165.2	19.8	0	0	0	0	114.8	D117 T123 F180 E183	D117-T119 WeakPolarHBondContact CA-OG1 3.21Å; D117-T119 VanDerWaalsContact CB-OG1 3.25Å; D117-T119 WeakPolarHBondContact CB-OG1 3.37Å; D117-T119 PolarHBondContact O-N 3.44Å; D117-T119 PolarHBondContact OD1-OG1 3.38Å; T119-T123 WeakPolarHBondContact O-CA 3.43Å; T119-T123 WeakPolarHBondContact O-CB 3.01Å; T119-T123 PolarHBondContact O-N 2.78Å; T119-T123 PolarHBondContact O-OG1 3.41Å; T119-F180 HydrophobicContact CG2-CD2 3.35Å; T119-F180 HydrophobicContact CG2-CE2 3.76Å; T119-F180 HydrophobicContact CG2-CG 4.45Å; T119-E183 HydrophobicContact CG2-CG 4.45Å
120	V	53	Low	50.7	Low	81 Å²	81	57 Å²	57	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-78.8	-45.9	-179.3	177.8	0	0	0	0	110.5	D117 A118 L122 T123 L124	D117-V120 HydrophobicContact CB-CG2 4.07Å; D117-V120 PolarHBondContact O-N 3.42Å; A118-V120 PolarHBondContact O-N 2.97Å; V120-L122 VanDerWaalsContact C-N 3.29Å; V120-L122 PolarHBondContact O-N 3.21Å; V120-T123 PolarHBondContact O-N 3.4Å; V120-L124 WeakPolarHBondContact O-CB 3.44Å; V120-L124 PolarHBondContact O-N 2.73Å
121	T	58.9	Low	51.3	Low	21 Å²	21	53 Å²	53	13%	0.129	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-35.6	176.8	58.2	0	0	0	0	111.2	V34 D117 A118 S125	V34-T121 HydrophobicContact CG1-CG2 4.41Å; D117-T121 PolarHBondContact O-N 3.43Å; A118-T121 WeakPolarHBondContact CA-OG1 3.37Å; A118-T121 PolarHBondContact O-OG1 3.3Å; T121-S125 WeakPolarHBondContact O-CB 3.27Å; T121-S125 PolarHBondContact O-N 2.81Å
122	L	51.4	Low	51.9	Low	2 Å²	2	47.5 Å²	47.5	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-72.2	-43.9	171.4	-178.6	70.7	0	0	0	111.4	A118 V120 L124 S125 T126 Y176 I179 I216	A118-L122 VanDerWaalsContact O-CA 3.24Å; A118-L122 WeakPolarHBondContact O-CA 3.46Å; A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 PolarHBondContact O-N 2.77Å; V120-L122 VanDerWaalsContact C-N 3.29Å; V120-L122 PolarHBondContact O-N 3.21Å; L122-L124 PolarHBondContact O-N 3.22Å; L122-S125 CarbonylContact O-C 3.57Å; L122-S125 PolarHBondContact O-N 3.35Å; L122-T126 WeakPolarHBondContact CD1-OG1 3.44Å; L122-T126 WeakPolarHBondContact CG-OG1 3.38Å; L122-T126 WeakPolarHBondContact O-CA 3.31Å; L122-T126 WeakPolarHBondContact O-CB 3.38Å; L122-T126 PolarHBondContact O-N 3.45Å; L122-T126 PolarHBondContact O-OG1 3.14Å; L122-Y176 HydrophobicContact CD2-CD2 4.26Å; L122-I179 HydrophobicContact CB-CG2 4.07Å; L122-I179 HydrophobicContact CD1-CB 4.25Å; L122-I179 HydrophobicContact CD1-CD1 3.3Å; L122-I179 HydrophobicContact CD1-CG1 4.35Å; L122-I179 HydrophobicContact CD1-CG2 4.06Å; L122-I179 HydrophobicContact CD2-CB 3.39Å; L122-I179 HydrophobicContact CD2-CD1 4.1Å; L122-I179 HydrophobicContact CD2-CG1 4.31Å; L122-I179 HydrophobicContact CD2-CG2 3.4Å; L122-I179 VanDerWaalsContact CD2-CG2 3.4Å; L122-I179 HydrophobicContact CG-CB 4.28Å; L122-I179 HydrophobicContact CG-CD1 4.23Å; L122-I179 HydrophobicContact CG-CG2 3.99Å; L122-I216 HydrophobicContact CD1-CD1 4.34Å
123	T	59.7	Low	52.3	Low	68 Å²	68	41.6 Å²	41.6	42%	0.417	24%	0.244	S	C	.	.	H	α-helix	trans	-61.1	-39.8	179	-65.8	0	0	0	0	108.7	T119 V120 T127	T119-T123 WeakPolarHBondContact O-CA 3.43Å; T119-T123 WeakPolarHBondContact O-CB 3.01Å; T119-T123 PolarHBondContact O-N 2.78Å; T119-T123 PolarHBondContact O-OG1 3.41Å; V120-T123 PolarHBondContact O-N 3.4Å; T123-T127 WeakPolarHBondContact O-CA 3.34Å; T123-T127 WeakPolarHBondContact O-CB 3.49Å; T123-T127 PolarHBondContact O-N 2.63Å; T123-T127 PolarHBondContact O-OG1 2.7Å
124	L	55.1	Low	52.3	Low	96 Å²	96	44.2 Å²	44.2	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-49.5	170.2	-172.3	65.4	0	0	0	111.4	V120 L122 T127 I128	V120-L124 WeakPolarHBondContact O-CB 3.44Å; V120-L124 PolarHBondContact O-N 2.73Å; L122-L124 PolarHBondContact O-N 3.22Å; L124-T127 PolarHBondContact O-N 3.18Å; L124-I128 HydrophobicContact CD1-CD1 4.07Å; L124-I128 HydrophobicContact CG-CD1 3.77Å; L124-I128 WeakPolarHBondContact O-CB 3.5Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 WeakPolarHBondContact O-CG1 3.18Å; L124-I128 PolarHBondContact O-N 2.74Å
125	S	52.8	Low	52.8	Low	1 Å²	1	48.9 Å²	48.9	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-49.5	179.7	-171.9	0	0	0	0	112.8	T121 L122 I128 I129	T121-S125 WeakPolarHBondContact O-CB 3.27Å; T121-S125 PolarHBondContact O-N 2.81Å; L122-S125 CarbonylContact O-C 3.57Å; L122-S125 PolarHBondContact O-N 3.35Å; S125-I128 CarbonylContact O-C 3.59Å; S125-I128 WeakPolarHBondContact O-CB 3.47Å; S125-I128 PolarHBondContact O-N 3.46Å; S125-I129 WeakPolarHBondContact O-CB 3.31Å; S125-I129 WeakPolarHBondContact O-CD1 3.2Å; S125-I129 WeakPolarHBondContact O-CG1 3.06Å; S125-I129 PolarHBondContact O-N 3.21Å
126	T	56	Low	52.7	Low	25 Å²	25	47.8 Å²	47.8	15%	0.153	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-42.4	173.7	-67.4	0	0	0	0	111.3	L122 I128 I129 L130	L122-T126 WeakPolarHBondContact CD1-OG1 3.44Å; L122-T126 WeakPolarHBondContact CG-OG1 3.38Å; L122-T126 WeakPolarHBondContact O-CA 3.31Å; L122-T126 WeakPolarHBondContact O-CB 3.38Å; L122-T126 PolarHBondContact O-N 3.45Å; L122-T126 PolarHBondContact O-OG1 3.14Å; T126-I128 PolarHBondContact O-N 3.25Å; T126-I129 PolarHBondContact O-N 3.43Å; T126-L130 WeakPolarHBondContact O-CB 3.44Å; T126-L130 PolarHBondContact O-N 3.42Å
127	T	54.3	Low	52.9	Low	75 Å²	75	48.9 Å²	48.9	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-37.6	173.1	-62.1	0	0	0	0	110.2	T123 L124 L131	T123-T127 WeakPolarHBondContact O-CA 3.34Å; T123-T127 WeakPolarHBondContact O-CB 3.49Å; T123-T127 PolarHBondContact O-N 2.63Å; T123-T127 PolarHBondContact O-OG1 2.7Å; L124-T127 PolarHBondContact O-N 3.18Å; T127-L131 WeakPolarHBondContact O-CA 3.41Å; T127-L131 WeakPolarHBondContact O-CB 3.42Å; T127-L131 PolarHBondContact O-N 2.69Å
128	I	54.1	Low	52.5	Low	45 Å²	45	53.4 Å²	53.4	23%	0.231	28%	0.283	C	S	.	.	H	α-helix	trans	-73.2	-37.3	175.7	-65.6	160	0	0	0	111.5	L86 L124 S125 T126 L131 T132	L86-I128 HydrophobicContact CD2-CD1 4.19Å; L86-I128 HydrophobicContact CD2-CG2 3.54Å; L124-I128 HydrophobicContact CD1-CD1 4.07Å; L124-I128 HydrophobicContact CG-CD1 3.77Å; L124-I128 WeakPolarHBondContact O-CB 3.5Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 WeakPolarHBondContact O-CG1 3.18Å; L124-I128 PolarHBondContact O-N 2.74Å; S125-I128 CarbonylContact O-C 3.59Å; S125-I128 WeakPolarHBondContact O-CB 3.47Å; S125-I128 PolarHBondContact O-N 3.46Å; T126-I128 PolarHBondContact O-N 3.25Å; I128-L131 CarbonylContact O-C 3.59Å; I128-L131 PolarHBondContact O-N 2.89Å; I128-T132 WeakPolarHBondContact O-CA 3.49Å; I128-T132 WeakPolarHBondContact O-CB 3.37Å; I128-T132 PolarHBondContact O-N 3.34Å; I128-T132 PolarHBondContact O-OG1 2.89Å
129	I	51.8	Low	52	Low	13 Å²	13	57.9 Å²	57.9	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-44.8	174.6	-71.1	160.1	0	0	0	109.3	I87 S125 T126 T132 H133 L175 A223	I87-I129 HydrophobicContact CD1-CD1 4.14Å; I87-I129 HydrophobicContact CD1-CG1 3.75Å; I87-I129 HydrophobicContact CG1-CD1 4.31Å; I87-I129 HydrophobicContact CG1-CG1 4.08Å; S125-I129 WeakPolarHBondContact O-CB 3.31Å; S125-I129 WeakPolarHBondContact O-CD1 3.2Å; S125-I129 WeakPolarHBondContact O-CG1 3.06Å; S125-I129 PolarHBondContact O-N 3.21Å; T126-I129 PolarHBondContact O-N 3.43Å; I129-T132 CarbonylContact O-C 3.54Å; I129-T132 PolarHBondContact O-N 2.91Å; I129-H133 PolarHBondContact O-N 3.24Å; I129-H133 PolarHBondContact O-ND1 2.95Å; I129-L175 HydrophobicContact CD1-CD2 4.02Å; I129-A223 HydrophobicContact CG2-CB 4.31Å
130	L	56.9	Low	51.8	Low	62 Å²	62	61.1 Å²	61.1	33%	0.325	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-48.4	175.6	-175.9	63.4	0	0	0	109.7	T126 T132 H133 F134	T126-L130 WeakPolarHBondContact O-CB 3.44Å; T126-L130 PolarHBondContact O-N 3.42Å; L130-T132 VanDerWaalsContact C-N 3.28Å; L130-T132 PolarHBondContact O-N 3.49Å; L130-H133 PolarHBondContact O-N 2.88Å; L130-F134 HydrophobicContact CD1-CD2 3.81Å; L130-F134 HydrophobicContact CD1-CE2 3.44Å; L130-F134 VanDerWaalsContact CD1-CE2 3.44Å; L130-F134 HydrophobicContact CD1-CZ 4.42Å; L130-F134 HydrophobicContact CD2-CE2 4Å; L130-F134 HydrophobicContact CG-CD2 3.63Å; L130-F134 HydrophobicContact CG-CE2 3.47Å; L130-F134 VanDerWaalsContact CG-CE2 3.47Å; L130-F134 WeakPolarHBondContact O-CB 3.36Å; L130-F134 WeakPolarHBondContact O-CD2 3.32Å; L130-F134 PolarHBondContact O-N 2.75Å
131	L	52.8	Low	51.1	Low	92 Å²	92	58.3 Å²	58.3	48%	0.482	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-34.7	176.2	-174.3	63.4	0	0	0	111.3	T127 I128 F134 Y135	T127-L131 WeakPolarHBondContact O-CA 3.41Å; T127-L131 WeakPolarHBondContact O-CB 3.42Å; T127-L131 PolarHBondContact O-N 2.69Å; I128-L131 CarbonylContact O-C 3.59Å; I128-L131 PolarHBondContact O-N 2.89Å; L131-F134 CarbonylContact O-C 3.53Å; L131-F134 PolarHBondContact O-N 2.77Å; L131-Y135 HydrophobicContact CD1-CD2 3.92Å; L131-Y135 HydrophobicContact CD1-CE2 4.35Å; L131-Y135 HydrophobicContact CG-CD2 4.26Å; L131-Y135 WeakPolarHBondContact O-CA 3.05Å; L131-Y135 WeakPolarHBondContact O-CB 3.08Å; L131-Y135 PolarHBondContact O-N 2.78Å
132	T	50.9	Low	50.5	Low	36 Å²	36	63.1 Å²	63.1	22%	0.221	33%	0.33	C	S	.	.	H	α-helix	trans	-71.5	-36.4	176	-64.8	0	0	0	0	111	A83 I128 I129 L130 G136	A83-T132 HydrophobicContact CB-CG2 3.5Å; A83-T132 VanDerWaalsContact CB-CG2 3.5Å; I128-T132 WeakPolarHBondContact O-CA 3.49Å; I128-T132 WeakPolarHBondContact O-CB 3.37Å; I128-T132 PolarHBondContact O-N 3.34Å; I128-T132 PolarHBondContact O-OG1 2.89Å; I129-T132 CarbonylContact O-C 3.54Å; I129-T132 PolarHBondContact O-N 2.91Å; L130-T132 VanDerWaalsContact C-N 3.28Å; L130-T132 PolarHBondContact O-N 3.49Å; T132-G136 VanDerWaalsContact O-CA 3.29Å; T132-G136 WeakPolarHBondContact O-CA 3.32Å; T132-G136 PolarHBondContact O-N 3.44Å
133	H	52.1	Low	49.9	Very low	24 Å²	24	72 Å²	72	11%	0.111	37%	0.369	C	S	.	.	H	α-helix	trans	-70.4	-43	171.4	-79.3	84.5	0	0	0	110.6	I129 L130 G136 I137 T168 F226 I227	I129-H133 PolarHBondContact O-N 3.24Å; I129-H133 PolarHBondContact O-ND1 2.95Å; L130-H133 PolarHBondContact O-N 2.88Å; H133-G136 CarbonylContact O-C 3.57Å; H133-G136 PolarHBondContact O-N 3.34Å; H133-I137 WeakPolarHBondContact O-CB 3.44Å; H133-I137 WeakPolarHBondContact O-CD1 3.12Å; H133-I137 WeakPolarHBondContact O-CG1 3.33Å; H133-I137 PolarHBondContact O-N 3.35Å; H133-T168 HydrophobicContact CB-CG2 4.14Å; H133-T168 WeakPolarHBondContact CD2-CG2 3.19Å; H133-F226 AromaticContact NE2-CD1 3.78Å; H133-I227 WeakPolarHBondContact CE1-CD1 3.29Å; H133-I227 WeakPolarHBondContact CE1-CG1 3.44Å; H133-I227 WeakPolarHBondContact NE2-CG1 3.03Å
134	F	49.2	Very low	49.2	Very low	89 Å²	89	73.1 Å²	73.1	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-42.4	173.8	-83.7	-67.1	0	0	0	112.1	L130 L131 I137 K138 F165	L130-F134 HydrophobicContact CD1-CD2 3.81Å; L130-F134 HydrophobicContact CD1-CE2 3.44Å; L130-F134 VanDerWaalsContact CD1-CE2 3.44Å; L130-F134 HydrophobicContact CD1-CZ 4.42Å; L130-F134 HydrophobicContact CD2-CE2 4Å; L130-F134 HydrophobicContact CG-CD2 3.63Å; L130-F134 HydrophobicContact CG-CE2 3.47Å; L130-F134 VanDerWaalsContact CG-CE2 3.47Å; L130-F134 WeakPolarHBondContact O-CB 3.36Å; L130-F134 WeakPolarHBondContact O-CD2 3.32Å; L130-F134 PolarHBondContact O-N 2.75Å; L131-F134 CarbonylContact O-C 3.53Å; L131-F134 PolarHBondContact O-N 2.77Å; F134-I137 CarbonylContact O-C 3.59Å; F134-I137 PolarHBondContact O-N 2.77Å; F134-K138 WeakPolarHBondContact O-CB 3.11Å; F134-K138 PolarHBondContact O-N 3.5Å; F134-F165 AromaticContact CD1-CE2 3.87Å; F134-F165 HydrophobicContact CD1-CE2 3.87Å; F134-F165 HydrophobicContact CE1-CD2 4.02Å; F134-F165 AromaticContact CE1-CE2 3.1Å; F134-F165 HydrophobicContact CE1-CE2 3.1Å; F134-F165 AromaticContact CE1-CZ 3.47Å; F134-F165 HydrophobicContact CE1-CZ 3.47Å; F134-F165 VanDerWaalsContact CE1-CZ 3.47Å; F134-F165 AromaticContact CE2-CE2 3.93Å; F134-F165 HydrophobicContact CE2-CE2 3.93Å; F134-F165 HydrophobicContact CE2-CZ 4.19Å; F134-F165 HydrophobicContact CZ-CD2 4.41Å; F134-F165 HydrophobicContact CZ-CE1 4.5Å; F134-F165 AromaticContact CZ-CE2 3.17Å; F134-F165 HydrophobicContact CZ-CE2 3.17Å; F134-F165 AromaticContact CZ-CZ 3.23Å; F134-F165 HydrophobicContact CZ-CZ 3.23Å
135	Y	50.6	Low	48.8	Very low	116 Å²	116	72.9 Å²	72.9	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-73	-28.5	173.2	-109.5	-104.2	0	0	0	111.3	L131 I137 K138 M139	L131-Y135 HydrophobicContact CD1-CD2 3.92Å; L131-Y135 HydrophobicContact CD1-CE2 4.35Å; L131-Y135 HydrophobicContact CG-CD2 4.26Å; L131-Y135 WeakPolarHBondContact O-CA 3.05Å; L131-Y135 WeakPolarHBondContact O-CB 3.08Å; L131-Y135 PolarHBondContact O-N 2.78Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; Y135-K138 PolarHBondContact O-N 2.84Å; Y135-M139 HydrophobicContact CD1-CG 3.38Å; Y135-M139 HydrophobicContact CD1-SD 4.1Å; Y135-M139 HydrophobicContact CE1-CG 3.92Å; Y135-M139 HydrophobicContact CE1-SD 4Å; Y135-M139 HydrophobicContact CG-CG 4.33Å; Y135-M139 WeakPolarHBondContact O-CA 3.41Å; Y135-M139 WeakPolarHBondContact O-CB 3.39Å; Y135-M139 VanDerWaalsContact O-CG 3.31Å; Y135-M139 WeakPolarHBondContact O-CG 3.47Å; Y135-M139 PolarHBondContact O-N 3.44Å
136	G	45.8	Very low	48.4	Very low	29 Å²	29	78.2 Å²	78.2	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-38.4	172	0	0	0	0	0	111	T132 H133 R140	T132-G136 VanDerWaalsContact O-CA 3.29Å; T132-G136 WeakPolarHBondContact O-CA 3.32Å; T132-G136 PolarHBondContact O-N 3.44Å; H133-G136 CarbonylContact O-C 3.57Å; H133-G136 PolarHBondContact O-N 3.34Å; G136-R140 WeakPolarHBondContact O-CB 3.27Å; G136-R140 WeakPolarHBondContact O-CG 3.37Å; G136-R140 PolarHBondContact O-N 2.8Å
137	I	48.3	Very low	47.9	Very low	65 Å²	65	84.1 Å²	84.1	33%	0.333	41%	0.414	S	S	.	.	H	α-helix	trans	-75.1	-31.5	173	-65.5	161.5	0	0	0	111.1	H133 F134 Y135 R140 V161 F165	H133-I137 WeakPolarHBondContact O-CB 3.44Å; H133-I137 WeakPolarHBondContact O-CD1 3.12Å; H133-I137 WeakPolarHBondContact O-CG1 3.33Å; H133-I137 PolarHBondContact O-N 3.35Å; F134-I137 CarbonylContact O-C 3.59Å; F134-I137 PolarHBondContact O-N 2.77Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; I137-R140 WeakPolarHBondContact O-CB 3.4Å; I137-V161 HydrophobicContact CG2-CG1 4.43Å; I137-F165 HydrophobicContact CD1-CD2 4.22Å
138	K	44.9	Very low	47.7	Very low	148 Å²	148	81.8 Å²	81.8	64%	0.643	40%	0.404	S	S	*	.	H	α-helix	trans	-89.5	-39.3	-176.7	-170.3	178.1	-179.7	178.6	0	114.1	F134 Y135 G141	F134-K138 WeakPolarHBondContact O-CB 3.11Å; F134-K138 PolarHBondContact O-N 3.5Å; Y135-K138 PolarHBondContact O-N 2.84Å; K138-G141 PolarHBondContact O-N 3.32Å
139	M	40.4	Very low	47.4	Very low	103 Å²	103	81.7 Å²	81.7	51%	0.507	40%	0.401	S	S	.	.	H	α-helix	trans	-78.6	-9.7	172.1	-65.6	-67.3	-74.1	0	0	112.7	F79 Y135 G141	F79-M139 HydrophobicContact CE1-CB 4.23Å; F79-M139 HydrophobicContact CE1-CE 4.21Å; F79-M139 HydrophobicContact CE1-CG 4.05Å; F79-M139 HydrophobicContact CE2-CB 3.97Å; F79-M139 HydrophobicContact CZ-CB 3.72Å; F79-M139 HydrophobicContact CZ-CE 3.58Å; F79-M139 HydrophobicContact CZ-CG 3.88Å; Y135-M139 HydrophobicContact CD1-CG 3.38Å; Y135-M139 HydrophobicContact CD1-SD 4.1Å; Y135-M139 HydrophobicContact CE1-CG 3.92Å; Y135-M139 HydrophobicContact CE1-SD 4Å; Y135-M139 HydrophobicContact CG-CG 4.33Å; Y135-M139 WeakPolarHBondContact O-CA 3.41Å; Y135-M139 WeakPolarHBondContact O-CB 3.39Å; Y135-M139 VanDerWaalsContact O-CG 3.31Å; Y135-M139 WeakPolarHBondContact O-CG 3.47Å; Y135-M139 PolarHBondContact O-N 3.44Å; M139-G141 PolarHBondContact O-N 2.77Å
140	R	49.1	Very low	47.2	Very low	93 Å²	93	86 Å²	86	35%	0.351	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-0.1	151	-95.5	-170	135.4	116.4	19.1	114.7	G136 I137 M234	G136-R140 WeakPolarHBondContact O-CB 3.27Å; G136-R140 WeakPolarHBondContact O-CG 3.37Å; G136-R140 PolarHBondContact O-N 2.8Å; I137-R140 WeakPolarHBondContact O-CB 3.4Å; R140-M234 PolarHBondContact NE-SD 3.4Å; R140-M234 VanDerWaalsContact NH2-C 3.33Å; R140-M234 VanDerWaalsContact NH2-CG 3.31Å; R140-M234 PolarHBondContact NH2-O 3.49Å; R140-M234 PolarHBondContact NH2-SD 2.62Å
141	G	38.2	Very low	46.8	Very low	21 Å²	21	90.3 Å²	90.3	22%	0.216	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	95.8	145	0	0	0	0	0	109.2	K138 M139 K143 Q144 Y145	K138-G141 PolarHBondContact O-N 3.32Å; M139-G141 PolarHBondContact O-N 2.77Å; G141-K143 PolarHBondContact O-N 3.07Å; G141-Q144 PolarHBondContact O-N 3.01Å; G141-Y145 PolarHBondContact O-N 3.23Å
142	T	46.8	Very low	46.7	Very low	123 Å²	123	90.9 Å²	90.9	76%	0.755	46%	0.456	S	S	*	.	H	α-helix	trans	-27.3	-23.1	153.4	21.1	0	0	0	0	115.4	L146	T142-L146 WeakPolarHBondContact O-CB 3.48Å; T142-L146 PolarHBondContact O-N 3.15Å
143	K	38.5	Very low	46.6	Very low	188 Å²	188	96.3 Å²	96.3	82%	0.817	48%	0.476	S	S	*	.	H	α-helix	trans	-74.4	-43.6	173.5	-125.7	179.1	-176.5	-177.1	0	116.3	G141	G141-K143 PolarHBondContact O-N 3.07Å
144	Q	44.1	Very low	46.7	Very low	92 Å²	92	101.8 Å²	101.8	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-83.3	-32.7	175.2	-166.8	69.8	21.1	0	0	110.3	G141 K147 G148 E241	G141-Q144 PolarHBondContact O-N 3.01Å; Q144-K147 PolarHBondContact O-N 3.03Å; Q144-G148 PolarHBondContact O-N 3.5Å; Q144-E241 PolarHBondContact NE2-OE2 3.37Å
145	Y	47	Very low	47.2	Very low	90 Å²	90	101 Å²	101	35%	0.353	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-43	172.7	-165.6	-103.4	0	0	0	111.3	G141 K147 G148 Y149 I158	G141-Y145 PolarHBondContact O-N 3.23Å; Y145-K147 VanDerWaalsContact C-N 3.27Å; Y145-K147 PolarHBondContact O-N 3.1Å; Y145-G148 CarbonylContact O-C 3.59Å; Y145-G148 PolarHBondContact O-N 3.27Å; Y145-Y149 HydrophobicContact CD1-CD1 4.47Å; Y145-Y149 HydrophobicContact CD1-CD2 4.29Å; Y145-Y149 HydrophobicContact CD1-CG 4.33Å; Y145-Y149 HydrophobicContact CE1-CD1 4.2Å; Y145-Y149 AromaticContact CE1-CD2 3.61Å; Y145-Y149 HydrophobicContact CE1-CD2 3.61Å; Y145-Y149 HydrophobicContact CE1-CE1 4.03Å; Y145-Y149 AromaticContact CE1-CE2 3.5Å; Y145-Y149 HydrophobicContact CE1-CE2 3.5Å; Y145-Y149 VanDerWaalsContact CE1-CE2 3.5Å; Y145-Y149 HydrophobicContact CE1-CG 4.03Å; Y145-Y149 AromaticContact CE1-CZ 3.74Å; Y145-Y149 AromaticContact CZ-CD2 3.84Å; Y145-Y149 AromaticContact CZ-CE2 3.68Å; Y145-Y149 WeakPolarHBondContact O-CA 3.36Å; Y145-Y149 WeakPolarHBondContact O-CB 3.42Å; Y145-Y149 PolarHBondContact O-N 3.37Å; Y145-Y149 WeakPolarHBondContact OH-CE2 3.27Å; Y145-I158 WeakPolarHBondContact OH-CG1 3.28Å
146	L	45.3	Very low	48	Very low	113 Å²	113	100.2 Å²	100.2	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-26.7	177.3	-168.1	66.9	0	0	0	113.1	T142 Y149	T142-L146 WeakPolarHBondContact O-CB 3.48Å; T142-L146 PolarHBondContact O-N 3.15Å; L146-Y149 HydrophobicContact CD1-CD1 4.43Å
147	K	45.6	Very low	49.1	Very low	150 Å²	150	100.7 Å²	100.7	65%	0.652	51%	0.505	S	S	*	.	H	α-helix	trans	-77.5	-39.1	175.3	-162.4	178	177.5	-168.9	0	112	Q144 Y145 Y149	Q144-K147 PolarHBondContact O-N 3.03Å; Y145-K147 VanDerWaalsContact C-N 3.27Å; Y145-K147 PolarHBondContact O-N 3.1Å; K147-Y149 VanDerWaalsContact C-N 3.33Å
148	G	49.1	Very low	49.9	Very low	25 Å²	25	99.9 Å²	99.9	26%	0.258	50%	0.5	S	S	.	.	H	α-helix	trans	-75.6	-18.4	171.7	0	0	0	0	0	114.1	Q144 Y145 V150	Q144-G148 PolarHBondContact O-N 3.5Å; Y145-G148 CarbonylContact O-C 3.59Å; Y145-G148 PolarHBondContact O-N 3.27Å; G148-V150 PolarHBondContact O-N 2.76Å
149	Y	47.3	Very low	51.4	Low	44 Å²	44	97.6 Å²	97.6	17%	0.173	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.1	-179.4	-134.7	-162	0	0	0	113.6	Y145 L146 K147 W154 I158	Y145-Y149 HydrophobicContact CD1-CD1 4.47Å; Y145-Y149 HydrophobicContact CD1-CD2 4.29Å; Y145-Y149 HydrophobicContact CD1-CG 4.33Å; Y145-Y149 HydrophobicContact CE1-CD1 4.2Å; Y145-Y149 AromaticContact CE1-CD2 3.61Å; Y145-Y149 HydrophobicContact CE1-CD2 3.61Å; Y145-Y149 HydrophobicContact CE1-CE1 4.03Å; Y145-Y149 AromaticContact CE1-CE2 3.5Å; Y145-Y149 HydrophobicContact CE1-CE2 3.5Å; Y145-Y149 VanDerWaalsContact CE1-CE2 3.5Å; Y145-Y149 HydrophobicContact CE1-CG 4.03Å; Y145-Y149 AromaticContact CE1-CZ 3.74Å; Y145-Y149 AromaticContact CZ-CD2 3.84Å; Y145-Y149 AromaticContact CZ-CE2 3.68Å; Y145-Y149 WeakPolarHBondContact O-CA 3.36Å; Y145-Y149 WeakPolarHBondContact O-CB 3.42Å; Y145-Y149 PolarHBondContact O-N 3.37Å; Y145-Y149 WeakPolarHBondContact OH-CE2 3.27Å; L146-Y149 HydrophobicContact CD1-CD1 4.43Å; K147-Y149 VanDerWaalsContact C-N 3.33Å; Y149-W154 AromaticContact CD1-CD2 3.91Å; Y149-W154 HydrophobicContact CD1-CD2 3.91Å; Y149-W154 AromaticContact CD1-CE3 3.19Å; Y149-W154 HydrophobicContact CD1-CE3 3.19Å; Y149-W154 AromaticContact CD1-CH2 3.32Å; Y149-W154 HydrophobicContact CD1-CH2 3.32Å; Y149-W154 AromaticContact CD1-CZ2 3.98Å; Y149-W154 HydrophobicContact CD1-CZ2 3.98Å; Y149-W154 AromaticContact CD1-CZ3 2.88Å; Y149-W154 HydrophobicContact CD1-CZ3 2.88Å; Y149-W154 AromaticContact CD2-CD2 3.82Å; Y149-W154 HydrophobicContact CD2-CD2 3.82Å; Y149-W154 AromaticContact CD2-CE3 3.56Å; Y149-W154 HydrophobicContact CD2-CE3 3.56Å; Y149-W154 HydrophobicContact CD2-CG 4.22Å; Y149-W154 HydrophobicContact CD2-CZ3 4.18Å; Y149-W154 AromaticContact CE1-CD2 3.47Å; Y149-W154 HydrophobicContact CE1-CD2 3.47Å; Y149-W154 VanDerWaalsContact CE1-CD2 3.47Å; Y149-W154 AromaticContact CE1-CE2 3.38Å; Y149-W154 AromaticContact CE1-CE3 3.23Å; Y149-W154 HydrophobicContact CE1-CE3 3.23Å; Y149-W154 AromaticContact CE1-CH2 2.87Å; Y149-W154 HydrophobicContact CE1-CH2 2.87Å; Y149-W154 AromaticContact CE1-CZ2 3.08Å; Y149-W154 HydrophobicContact CE1-CZ2 3.08Å; Y149-W154 AromaticContact CE1-CZ3 2.96Å; Y149-W154 HydrophobicContact CE1-CZ3 2.96Å; Y149-W154 HydrophobicContact CE2-CB 4.23Å; Y149-W154 AromaticContact CE2-CD2 3.31Å; Y149-W154 HydrophobicContact CE2-CD2 3.31Å; Y149-W154 AromaticContact CE2-CE2 3.76Å; Y149-W154 AromaticContact CE2-CE3 3.55Å; Y149-W154 HydrophobicContact CE2-CE3 3.55Å; Y149-W154 AromaticContact CE2-CG 3.6Å; Y149-W154 HydrophobicContact CE2-CG 3.6Å; Y149-W154 HydrophobicContact CE2-CZ2 4.34Å; Y149-W154 HydrophobicContact CE2-CZ3 4.19Å; Y149-W154 HydrophobicContact CG-CD2 4.05Å; Y149-W154 AromaticContact CG-CE3 3.34Å; Y149-W154 HydrophobicContact CG-CE3 3.34Å; Y149-W154 HydrophobicContact CG-CH2 4.32Å; Y149-W154 AromaticContact CG-CZ3 3.53Å; Y149-W154 HydrophobicContact CG-CZ3 3.53Å; Y149-W154 AromaticContact CZ-CD2 3.09Å; Y149-W154 AromaticContact CZ-CE2 3.03Å; Y149-W154 AromaticContact CZ-CE3 3.36Å; Y149-W154 AromaticContact CZ-CG 3.77Å; Y149-W154 AromaticContact CZ-CH2 3.57Å; Y149-W154 AromaticContact CZ-CZ2 3.27Å; Y149-W154 AromaticContact CZ-CZ3 3.61Å; Y149-W154 AromaticContact CZ-NE1 3.6Å; Y149-W154 WeakPolarHBondContact OH-CZ2 3.34Å; Y149-W154 PolarHBondContact OH-NE1 2.76Å; Y149-I158 HydrophobicContact CE2-CD1 4.23Å; Y149-I158 HydrophobicContact CE2-CG1 4.3Å; Y149-I158 VanDerWaalsContact OH-CD1 3.32Å; Y149-I158 WeakPolarHBondContact OH-CD1 3.29Å
150	V	47.7	Very low	53.1	Low	104 Å²	104	96.3 Å²	96.3	63%	0.63	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-7.5	-175.3	-178.2	0	0	0	0	112.3	G148	G148-V150 PolarHBondContact O-N 2.76Å
151	Q	50.1	Low	54.2	Low	151 Å²	151	94.1 Å²	94.1	71%	0.706	49%	0.486	S	S	*	.	S	Bend	trans	-136.8	12.6	-162.9	-76.6	-68.1	-37.1	0	0	119
152	P	49.7	Very low	56.1	Low	104 Å²	104	99.3 Å²	99.3	68%	0.675	50%	0.503	S	S	*	.	S	Bend		-147.8	-42.9	125	20.1	2.1	0	0	0	120.4
153	F	49	Very low	57.7	Low	150 Å²	150	99.4 Å²	99.4	66%	0.658	50%	0.495	S	S	*	.			trans	-154.4	97.2	-177.2	-83.9	-79.5	0	0	0	114.1	L156	F153-L156 HydrophobicContact CB-CD1 4.23Å; F153-L156 HydrophobicContact CB-CG 4.5Å; F153-L156 PolarHBondContact O-N 3.38Å
154	W	53	Low	59.5	Low	139 Å²	139	93 Å²	93	53%	0.527	47%	0.467	S	S	.	.	H	α-helix	trans	-48.9	-45.8	179	-176.7	-72.4	0	0	0	116	Y149 I158	Y149-W154 AromaticContact CD1-CD2 3.91Å; Y149-W154 HydrophobicContact CD1-CD2 3.91Å; Y149-W154 AromaticContact CD1-CE3 3.19Å; Y149-W154 HydrophobicContact CD1-CE3 3.19Å; Y149-W154 AromaticContact CD1-CH2 3.32Å; Y149-W154 HydrophobicContact CD1-CH2 3.32Å; Y149-W154 AromaticContact CD1-CZ2 3.98Å; Y149-W154 HydrophobicContact CD1-CZ2 3.98Å; Y149-W154 AromaticContact CD1-CZ3 2.88Å; Y149-W154 HydrophobicContact CD1-CZ3 2.88Å; Y149-W154 AromaticContact CD2-CD2 3.82Å; Y149-W154 HydrophobicContact CD2-CD2 3.82Å; Y149-W154 AromaticContact CD2-CE3 3.56Å; Y149-W154 HydrophobicContact CD2-CE3 3.56Å; Y149-W154 HydrophobicContact CD2-CG 4.22Å; Y149-W154 HydrophobicContact CD2-CZ3 4.18Å; Y149-W154 AromaticContact CE1-CD2 3.47Å; Y149-W154 HydrophobicContact CE1-CD2 3.47Å; Y149-W154 VanDerWaalsContact CE1-CD2 3.47Å; Y149-W154 AromaticContact CE1-CE2 3.38Å; Y149-W154 AromaticContact CE1-CE3 3.23Å; Y149-W154 HydrophobicContact CE1-CE3 3.23Å; Y149-W154 AromaticContact CE1-CH2 2.87Å; Y149-W154 HydrophobicContact CE1-CH2 2.87Å; Y149-W154 AromaticContact CE1-CZ2 3.08Å; Y149-W154 HydrophobicContact CE1-CZ2 3.08Å; Y149-W154 AromaticContact CE1-CZ3 2.96Å; Y149-W154 HydrophobicContact CE1-CZ3 2.96Å; Y149-W154 HydrophobicContact CE2-CB 4.23Å; Y149-W154 AromaticContact CE2-CD2 3.31Å; Y149-W154 HydrophobicContact CE2-CD2 3.31Å; Y149-W154 AromaticContact CE2-CE2 3.76Å; Y149-W154 AromaticContact CE2-CE3 3.55Å; Y149-W154 HydrophobicContact CE2-CE3 3.55Å; Y149-W154 AromaticContact CE2-CG 3.6Å; Y149-W154 HydrophobicContact CE2-CG 3.6Å; Y149-W154 HydrophobicContact CE2-CZ2 4.34Å; Y149-W154 HydrophobicContact CE2-CZ3 4.19Å; Y149-W154 HydrophobicContact CG-CD2 4.05Å; Y149-W154 AromaticContact CG-CE3 3.34Å; Y149-W154 HydrophobicContact CG-CE3 3.34Å; Y149-W154 HydrophobicContact CG-CH2 4.32Å; Y149-W154 AromaticContact CG-CZ3 3.53Å; Y149-W154 HydrophobicContact CG-CZ3 3.53Å; Y149-W154 AromaticContact CZ-CD2 3.09Å; Y149-W154 AromaticContact CZ-CE2 3.03Å; Y149-W154 AromaticContact CZ-CE3 3.36Å; Y149-W154 AromaticContact CZ-CG 3.77Å; Y149-W154 AromaticContact CZ-CH2 3.57Å; Y149-W154 AromaticContact CZ-CZ2 3.27Å; Y149-W154 AromaticContact CZ-CZ3 3.61Å; Y149-W154 AromaticContact CZ-NE1 3.6Å; Y149-W154 WeakPolarHBondContact OH-CZ2 3.34Å; Y149-W154 PolarHBondContact OH-NE1 2.76Å; W154-I158 HydrophobicContact CG-CD1 4.38Å; W154-I158 WeakPolarHBondContact O-CD1 3.29Å; W154-I158 VanDerWaalsContact O-CG1 3.24Å; W154-I158 WeakPolarHBondContact O-CG1 3.28Å
155	P	61.7	Low	60.9	Low	72 Å²	72	91.1 Å²	91.1	47%	0.468	46%	0.458	S	S	.	.	H	α-helix	trans	-77.5	-31	-175.8	27.6	-33.3	0	0	0	114.2	I158 I159	P155-I158 PolarHBondContact O-N 2.81Å; P155-I159 WeakPolarHBondContact O-CG1 3.22Å; P155-I159 PolarHBondContact O-N 3.28Å; P155-I159 VanDerWaalsContact O-N 3.15Å
156	L	67.4	Low	62.6	Low	101 Å²	101	90.5 Å²	90.5	53%	0.529	46%	0.464	S	S	.	.	H	α-helix	trans	-73.6	-35.1	-177.9	-65.8	178.3	0	0	0	112.1	F153 I158 N160	F153-L156 HydrophobicContact CB-CD1 4.23Å; F153-L156 HydrophobicContact CB-CG 4.5Å; F153-L156 PolarHBondContact O-N 3.38Å; L156-I158 VanDerWaalsContact C-N 3.34Å; L156-N160 WeakPolarHBondContact O-CB 3.46Å; L156-N160 PolarHBondContact O-N 2.93Å; L156-N160 PolarHBondContact O-ND2 3.39Å
157	A	67.7	Low	64.3	Low	39 Å²	39	88 Å²	88	32%	0.322	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-41.8	175.3	0	0	0	0	0	111.2	N160 V161	A157-N160 PolarHBondContact O-N 3.44Å; A157-V161 VanDerWaalsContact O-CG2 3.28Å; A157-V161 WeakPolarHBondContact O-CG2 3.21Å; A157-V161 PolarHBondContact O-N 3.36Å
158	I	64.8	Low	65.8	Low	47 Å²	47	81.5 Å²	81.5	24%	0.241	43%	0.429	C	S	.	.	H	α-helix	trans	-63.1	-46.7	178.4	-62.4	162.5	0	0	0	110.6	Y145 Y149 W154 P155 L156 V161 F162	Y145-I158 WeakPolarHBondContact OH-CG1 3.28Å; Y149-I158 HydrophobicContact CE2-CD1 4.23Å; Y149-I158 HydrophobicContact CE2-CG1 4.3Å; Y149-I158 VanDerWaalsContact OH-CD1 3.32Å; Y149-I158 WeakPolarHBondContact OH-CD1 3.29Å; W154-I158 HydrophobicContact CG-CD1 4.38Å; W154-I158 WeakPolarHBondContact O-CD1 3.29Å; W154-I158 VanDerWaalsContact O-CG1 3.24Å; W154-I158 WeakPolarHBondContact O-CG1 3.28Å; P155-I158 PolarHBondContact O-N 2.81Å; L156-I158 VanDerWaalsContact C-N 3.34Å; I158-V161 PolarHBondContact O-N 3.11Å; I158-F162 HydrophobicContact CG2-CD2 3.59Å; I158-F162 HydrophobicContact CG2-CE2 3.56Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.44Å; I158-F162 PolarHBondContact O-N 3.14Å
159	I	76.7	Confident	67.3	Low	101 Å²	101	84.4 Å²	84.4	52%	0.518	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-47	178.1	-68.1	168.1	0	0	0	111.1	P155 V161 F162 E163	P155-I159 WeakPolarHBondContact O-CG1 3.22Å; P155-I159 PolarHBondContact O-N 3.28Å; P155-I159 VanDerWaalsContact O-N 3.15Å; I159-V161 VanDerWaalsContact C-N 3.29Å; I159-V161 PolarHBondContact O-N 2.98Å; I159-F162 PolarHBondContact O-N 3.1Å; I159-F162 VanDerWaalsContact O-N 3.17Å; I159-E163 WeakPolarHBondContact O-CB 3.36Å; I159-E163 PolarHBondContact O-N 3.42Å
160	N	75.8	Confident	69.1	Low	76 Å²	76	86.2 Å²	86.2	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-37.7	178.4	-77	-57.6	0	0	0	112.3	L156 A157 E163 E164	L156-N160 WeakPolarHBondContact O-CB 3.46Å; L156-N160 PolarHBondContact O-N 2.93Å; L156-N160 PolarHBondContact O-ND2 3.39Å; A157-N160 PolarHBondContact O-N 3.44Å; N160-E163 PolarHBondContact O-N 2.9Å; N160-E164 WeakPolarHBondContact O-CB 3.44Å; N160-E164 PolarHBondContact O-N 3.09Å
161	V	72.4	Confident	70.7	Confident	46 Å²	46	82.4 Å²	82.4	28%	0.279	43%	0.43	S	S	.	.	H	α-helix	trans	-69.2	-39.4	176.1	170.8	0	0	0	0	111.2	I137 A157 I158 I159 E163 F165	I137-V161 HydrophobicContact CG2-CG1 4.43Å; A157-V161 VanDerWaalsContact O-CG2 3.28Å; A157-V161 WeakPolarHBondContact O-CG2 3.21Å; A157-V161 PolarHBondContact O-N 3.36Å; I158-V161 PolarHBondContact O-N 3.11Å; I159-V161 VanDerWaalsContact C-N 3.29Å; I159-V161 PolarHBondContact O-N 2.98Å; V161-E163 VanDerWaalsContact C-N 3.35Å; V161-F165 VanDerWaalsContact O-CB 3.22Å; V161-F165 WeakPolarHBondContact O-CB 3.39Å; V161-F165 PolarHBondContact O-N 3.47Å
162	F	77.4	Confident	72	Confident	131 Å²	131	76.4 Å²	76.4	58%	0.575	41%	0.408	S	S	*	.	H	α-helix	trans	-65.9	-37	173.9	-88.7	-71.1	0	0	0	112.5	I158 I159 F165 T166	I158-F162 HydrophobicContact CG2-CD2 3.59Å; I158-F162 HydrophobicContact CG2-CE2 3.56Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.44Å; I158-F162 PolarHBondContact O-N 3.14Å; I159-F162 PolarHBondContact O-N 3.1Å; I159-F162 VanDerWaalsContact O-N 3.17Å; F162-F165 PolarHBondContact O-N 3.3Å; F162-T166 WeakPolarHBondContact O-CB 2.77Å; F162-T166 PolarHBondContact O-N 3.43Å; F162-T166 PolarHBondContact O-OG1 3.46Å
163	E	80.8	Confident	73.6	Confident	124 Å²	124	76.9 Å²	76.9	58%	0.579	41%	0.405	S	S	*	.	H	α-helix	trans	-66	-47.3	175.1	-173.8	178.2	166.8	0	0	111.2	I159 N160 V161 F165 T166 S167	I159-E163 WeakPolarHBondContact O-CB 3.36Å; I159-E163 PolarHBondContact O-N 3.42Å; N160-E163 PolarHBondContact O-N 2.9Å; V161-E163 VanDerWaalsContact C-N 3.35Å; E163-F165 VanDerWaalsContact C-N 3.3Å; E163-F165 PolarHBondContact O-N 3.22Å; E163-T166 PolarHBondContact O-N 2.67Å; E163-S167 WeakPolarHBondContact O-CB 3.24Å; E163-S167 PolarHBondContact O-N 3.26Å
164	E	76.8	Confident	75.2	Confident	53 Å²	53	76.7 Å²	76.7	25%	0.248	40%	0.4	C	S	.	.	H	α-helix	trans	-59.7	-42.2	174.4	-174.1	174.6	-178.5	0	0	111.2	N160 S167 T168 S230	N160-E164 WeakPolarHBondContact O-CB 3.44Å; N160-E164 PolarHBondContact O-N 3.09Å; E164-S167 PolarHBondContact O-N 2.79Å; E164-T168 WeakPolarHBondContact O-CB 3.32Å; E164-T168 PolarHBondContact O-N 2.89Å; E164-T168 PolarHBondContact O-OG1 3.01Å; E164-S230 WeakPolarHBondContact OE1-CB 3.31Å; E164-S230 PolarHBondContact OE1-OG 3.35Å
165	F	73.9	Confident	76.6	Confident	53 Å²	53	70.4 Å²	70.4	23%	0.232	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-45.7	175.9	177.6	-104.1	0	0	0	112.4	F134 I137 V161 F162 E163 S167 T168 L169	F134-F165 AromaticContact CD1-CE2 3.87Å; F134-F165 HydrophobicContact CD1-CE2 3.87Å; F134-F165 HydrophobicContact CE1-CD2 4.02Å; F134-F165 AromaticContact CE1-CE2 3.1Å; F134-F165 HydrophobicContact CE1-CE2 3.1Å; F134-F165 AromaticContact CE1-CZ 3.47Å; F134-F165 HydrophobicContact CE1-CZ 3.47Å; F134-F165 VanDerWaalsContact CE1-CZ 3.47Å; F134-F165 AromaticContact CE2-CE2 3.93Å; F134-F165 HydrophobicContact CE2-CE2 3.93Å; F134-F165 HydrophobicContact CE2-CZ 4.19Å; F134-F165 HydrophobicContact CZ-CD2 4.41Å; F134-F165 HydrophobicContact CZ-CE1 4.5Å; F134-F165 AromaticContact CZ-CE2 3.17Å; F134-F165 HydrophobicContact CZ-CE2 3.17Å; F134-F165 AromaticContact CZ-CZ 3.23Å; F134-F165 HydrophobicContact CZ-CZ 3.23Å; I137-F165 HydrophobicContact CD1-CD2 4.22Å; V161-F165 VanDerWaalsContact O-CB 3.22Å; V161-F165 WeakPolarHBondContact O-CB 3.39Å; V161-F165 PolarHBondContact O-N 3.47Å; F162-F165 PolarHBondContact O-N 3.3Å; E163-F165 VanDerWaalsContact C-N 3.3Å; E163-F165 PolarHBondContact O-N 3.22Å; F165-S167 PolarHBondContact O-N 3.2Å; F165-T168 WeakPolarHBondContact O-CB 3.37Å; F165-T168 PolarHBondContact O-N 3.27Å; F165-L169 WeakPolarHBondContact O-CB 3.5Å; F165-L169 PolarHBondContact O-N 2.8Å
166	T	82.7	Confident	77.2	Confident	78 Å²	78	70.8 Å²	70.8	48%	0.479	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-39.6	179	-57.5	0	0	0	0	111.6	F162 E163 L169 T170	F162-T166 WeakPolarHBondContact O-CB 2.77Å; F162-T166 PolarHBondContact O-N 3.43Å; F162-T166 PolarHBondContact O-OG1 3.46Å; E163-T166 PolarHBondContact O-N 2.67Å; T166-L169 PolarHBondContact O-N 3.47Å; T166-T170 PolarHBondContact O-N 2.9Å; T166-T170 PolarHBondContact O-OG1 3.31Å
167	S	80.4	Confident	77.9	Confident	61 Å²	61	67.5 Å²	67.5	43%	0.427	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-44.8	175	-173	0	0	0	0	111.7	E163 E164 F165 L169 T170 L171	E163-S167 WeakPolarHBondContact O-CB 3.24Å; E163-S167 PolarHBondContact O-N 3.26Å; E164-S167 PolarHBondContact O-N 2.79Å; F165-S167 PolarHBondContact O-N 3.2Å; S167-L169 PolarHBondContact O-N 3.42Å; S167-T170 WeakPolarHBondContact O-CB 3.16Å; S167-T170 PolarHBondContact O-N 2.87Å; S167-L171 PolarHBondContact O-N 2.6Å; S167-L171 VanDerWaalsContact O-N 3.09Å
168	T	76.5	Confident	78.6	Confident	12 Å²	12	70 Å²	70	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-56.7	-48.4	174.2	-54.4	0	0	0	0	111.4	H133 E164 F165 T170 L171 G172 F226	H133-T168 HydrophobicContact CB-CG2 4.14Å; H133-T168 WeakPolarHBondContact CD2-CG2 3.19Å; E164-T168 WeakPolarHBondContact O-CB 3.32Å; E164-T168 PolarHBondContact O-N 2.89Å; E164-T168 PolarHBondContact O-OG1 3.01Å; F165-T168 WeakPolarHBondContact O-CB 3.37Å; F165-T168 PolarHBondContact O-N 3.27Å; T168-T170 VanDerWaalsContact C-N 3.31Å; T168-T170 PolarHBondContact O-N 3.13Å; T168-L171 PolarHBondContact O-N 2.72Å; T168-G172 PolarHBondContact O-N 2.85Å; T168-F226 HydrophobicContact CG2-CD1 4.42Å; T168-F226 HydrophobicContact CG2-CE1 3.85Å; T168-F226 WeakPolarHBondContact OG1-CE1 3.12Å; T168-F226 VanDerWaalsContact OG1-CZ 3.31Å; T168-F226 WeakPolarHBondContact OG1-CZ 3.41Å
169	L	81.7	Confident	79.1	Confident	87 Å²	87	67.8 Å²	67.8	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-40.6	179.5	179.5	62.9	0	0	0	111.6	F165 T166 S167 L171 G172 L173	F165-L169 WeakPolarHBondContact O-CB 3.5Å; F165-L169 PolarHBondContact O-N 2.8Å; T166-L169 PolarHBondContact O-N 3.47Å; S167-L169 PolarHBondContact O-N 3.42Å; L169-L171 PolarHBondContact O-N 3.1Å; L169-G172 PolarHBondContact O-N 2.82Å; L169-L173 PolarHBondContact O-N 2.79Å
170	T	85.4	Confident	79.1	Confident	81 Å²	81	66.5 Å²	66.5	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-42.9	178	-59.3	0	0	0	0	111.5	T166 S167 T168 L173 R174	T166-T170 PolarHBondContact O-N 2.9Å; T166-T170 PolarHBondContact O-OG1 3.31Å; S167-T170 WeakPolarHBondContact O-CB 3.16Å; S167-T170 PolarHBondContact O-N 2.87Å; T168-T170 VanDerWaalsContact C-N 3.31Å; T168-T170 PolarHBondContact O-N 3.13Å; T170-L173 PolarHBondContact O-N 3.32Å; T170-R174 PolarHBondContact O-N 3.3Å; T170-R174 VanDerWaalsContact O-N 3.13Å
171	L	80.3	Confident	79.5	Confident	25 Å²	25	65.6 Å²	65.6	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-70.5	-38.2	176.2	-171.8	68.1	0	0	0	111.9	S167 T168 L169 L173 R174 L175 F226	S167-L171 PolarHBondContact O-N 2.6Å; S167-L171 VanDerWaalsContact O-N 3.09Å; T168-L171 PolarHBondContact O-N 2.72Å; L169-L171 PolarHBondContact O-N 3.1Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.83Å; L171-R174 WeakPolarHBondContact O-CB 3.31Å; L171-R174 PolarHBondContact O-N 3.33Å; L171-R174 VanDerWaalsContact O-N 3.1Å; L171-L175 PolarHBondContact O-N 3.4Å; L171-F226 HydrophobicContact CD2-CB 3.3Å; L171-F226 HydrophobicContact CD2-CD1 4.36Å; L171-F226 HydrophobicContact CD2-CD2 4.02Å; L171-F226 HydrophobicContact CD2-CG 3.62Å
172	G	77.7	Confident	79.9	Confident	25 Å²	25	63.9 Å²	63.9	26%	0.258	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-39.4	172.8	0	0	0	0	0	112.4	T168 L169 L175 Y176	T168-G172 PolarHBondContact O-N 2.85Å; L169-G172 PolarHBondContact O-N 2.82Å; G172-L175 WeakPolarHBondContact O-CB 3.07Å; G172-L175 PolarHBondContact O-N 2.86Å; G172-Y176 WeakPolarHBondContact O-CB 3.45Å; G172-Y176 PolarHBondContact O-N 2.91Å
173	L	83.2	Confident	79.7	Confident	114 Å²	114	57.8 Å²	57.8	60%	0.597	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-36.7	173.4	-175.3	63	0	0	0	112.2	L169 T170 L171 Y176 G177	L169-L173 PolarHBondContact O-N 2.79Å; T170-L173 PolarHBondContact O-N 3.32Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.83Å; L173-Y176 HydrophobicContact CD1-CD1 4.14Å; L173-Y176 PolarHBondContact O-N 3Å; L173-G177 PolarHBondContact O-N 3.44Å
174	R	83.8	Confident	79.5	Confident	146 Å²	146	55.6 Å²	55.6	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-64.8	-45.1	174.2	-178.1	-178.7	-62.3	162.2	1	111.8	T170 L171 Y176 G177 N178	T170-R174 PolarHBondContact O-N 3.3Å; T170-R174 VanDerWaalsContact O-N 3.13Å; L171-R174 WeakPolarHBondContact O-CB 3.31Å; L171-R174 PolarHBondContact O-N 3.33Å; L171-R174 VanDerWaalsContact O-N 3.1Å; R174-Y176 VanDerWaalsContact C-N 3.33Å; R174-G177 PolarHBondContact O-N 2.77Å; R174-N178 PolarHBondContact O-N 3.27Å; R174-N178 VanDerWaalsContact O-N 3.13Å
175	L	81	Confident	79.7	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-56.5	-49.9	172.6	171	57.7	0	0	0	111	I129 L171 G172 N178 I179 G219 A223	I129-L175 HydrophobicContact CD1-CD2 4.02Å; L171-L175 PolarHBondContact O-N 3.4Å; G172-L175 WeakPolarHBondContact O-CB 3.07Å; G172-L175 PolarHBondContact O-N 2.86Å; L175-N178 PolarHBondContact O-N 3.34Å; L175-I179 HydrophobicContact CD1-CD1 3.37Å; L175-I179 HydrophobicContact CD1-CG1 4.27Å; L175-I179 HydrophobicContact CG-CD1 4.16Å; L175-I179 WeakPolarHBondContact O-CG1 3.18Å; L175-I179 PolarHBondContact O-N 3.46Å; L175-G219 WeakPolarHBondContact CD1-O 3.25Å; L175-A223 HydrophobicContact CD2-CB 3.91Å
176	Y	75.3	Confident	79.8	Confident	80 Å²	80	56.3 Å²	56.3	31%	0.314	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-50.1	178.2	172.3	-97.8	0	0	0	111.7	L122 G172 L173 R174 N178 I179 F180	L122-Y176 HydrophobicContact CD2-CD2 4.26Å; G172-Y176 WeakPolarHBondContact O-CB 3.45Å; G172-Y176 PolarHBondContact O-N 2.91Å; L173-Y176 HydrophobicContact CD1-CD1 4.14Å; L173-Y176 PolarHBondContact O-N 3Å; R174-Y176 VanDerWaalsContact C-N 3.33Å; Y176-N178 PolarHBondContact O-N 3.03Å; Y176-I179 PolarHBondContact O-N 3.02Å; Y176-F180 HydrophobicContact CE1-CB 4.37Å; Y176-F180 HydrophobicContact CE1-CG 4.38Å; Y176-F180 HydrophobicContact CE2-CD2 4.44Å; Y176-F180 AromaticContact CZ-CD2 3.99Å; Y176-F180 WeakPolarHBondContact O-CB 3.41Å; Y176-F180 PolarHBondContact O-N 2.98Å
177	G	80.9	Confident	79.1	Confident	31 Å²	31	55.6 Å²	55.6	32%	0.32	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-44.2	-178.9	0	0	0	0	0	113.2	L173 R174 I179 A181	L173-G177 PolarHBondContact O-N 3.44Å; R174-G177 PolarHBondContact O-N 2.77Å; G177-I179 VanDerWaalsContact C-N 3.35Å; G177-I179 PolarHBondContact O-N 3.22Å; G177-A181 WeakPolarHBondContact O-CB 3.21Å; G177-A181 PolarHBondContact O-N 3.39Å
178	N	82.3	Confident	78.9	Confident	92 Å²	92	58.2 Å²	58.2	49%	0.492	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-37	-179.7	-82.4	12.1	0	0	0	113.2	R174 L175 Y176 G182 S215	R174-N178 PolarHBondContact O-N 3.27Å; R174-N178 VanDerWaalsContact O-N 3.13Å; L175-N178 PolarHBondContact O-N 3.34Å; Y176-N178 PolarHBondContact O-N 3.03Å; N178-G182 PolarHBondContact O-N 3.26Å; N178-S215 PolarHBondContact O-OG 3.12Å
179	I	77.2	Confident	78.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-84.5	-37.2	-177.1	-59.5	171.4	0	0	0	110.6	A118 L122 L175 Y176 G177 G182 E183 I216	A118-I179 HydrophobicContact CB-CG2 4.37Å; L122-I179 HydrophobicContact CB-CG2 4.07Å; L122-I179 HydrophobicContact CD1-CB 4.25Å; L122-I179 HydrophobicContact CD1-CD1 3.3Å; L122-I179 HydrophobicContact CD1-CG1 4.35Å; L122-I179 HydrophobicContact CD1-CG2 4.06Å; L122-I179 HydrophobicContact CD2-CB 3.39Å; L122-I179 HydrophobicContact CD2-CD1 4.1Å; L122-I179 HydrophobicContact CD2-CG1 4.31Å; L122-I179 HydrophobicContact CD2-CG2 3.4Å; L122-I179 VanDerWaalsContact CD2-CG2 3.4Å; L122-I179 HydrophobicContact CG-CB 4.28Å; L122-I179 HydrophobicContact CG-CD1 4.23Å; L122-I179 HydrophobicContact CG-CG2 3.99Å; L175-I179 HydrophobicContact CD1-CD1 3.37Å; L175-I179 HydrophobicContact CD1-CG1 4.27Å; L175-I179 HydrophobicContact CG-CD1 4.16Å; L175-I179 WeakPolarHBondContact O-CG1 3.18Å; L175-I179 PolarHBondContact O-N 3.46Å; Y176-I179 PolarHBondContact O-N 3.02Å; G177-I179 VanDerWaalsContact C-N 3.35Å; G177-I179 PolarHBondContact O-N 3.22Å; I179-G182 PolarHBondContact O-N 3.37Å; I179-E183 WeakPolarHBondContact O-CB 3.3Å; I179-E183 PolarHBondContact O-N 2.98Å; I179-I216 HydrophobicContact CD1-CB 4.04Å; I179-I216 HydrophobicContact CD1-CD1 4.37Å; I179-I216 HydrophobicContact CD1-CG1 3.89Å; I179-I216 HydrophobicContact CG1-CB 4.28Å; I179-I216 HydrophobicContact CG2-CB 4.34Å; I179-I216 HydrophobicContact CG2-CD1 4.24Å
180	F	76.4	Confident	78.2	Confident	74 Å²	74	56.9 Å²	56.9	33%	0.325	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-46	172.4	-176	-102.7	0	0	0	111.9	T119 Y176 E183 I184	T119-F180 HydrophobicContact CG2-CD2 3.35Å; T119-F180 HydrophobicContact CG2-CE2 3.76Å; T119-F180 HydrophobicContact CG2-CG 4.45Å; Y176-F180 HydrophobicContact CE1-CB 4.37Å; Y176-F180 HydrophobicContact CE1-CG 4.38Å; Y176-F180 HydrophobicContact CE2-CD2 4.44Å; Y176-F180 AromaticContact CZ-CD2 3.99Å; Y176-F180 WeakPolarHBondContact O-CB 3.41Å; Y176-F180 PolarHBondContact O-N 2.98Å; F180-E183 PolarHBondContact O-N 3Å; F180-I184 HydrophobicContact CD1-CD1 3.77Å; F180-I184 HydrophobicContact CE1-CD1 3.18Å; F180-I184 HydrophobicContact CE1-CG1 4.26Å; F180-I184 HydrophobicContact CE2-CD1 4.19Å; F180-I184 HydrophobicContact CZ-CD1 3.42Å; F180-I184 VanDerWaalsContact CZ-CD1 3.42Å; F180-I184 HydrophobicContact CZ-CG1 4.32Å; F180-I184 PolarHBondContact O-N 3.06Å
181	A	84	Confident	77.4	Confident	57 Å²	57	54.8 Å²	54.8	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-40.4	177.2	0	0	0	0	0	112.1	G177 E183 I184 L185	G177-A181 WeakPolarHBondContact O-CB 3.21Å; G177-A181 PolarHBondContact O-N 3.39Å; A181-E183 VanDerWaalsContact C-N 3.28Å; A181-E183 PolarHBondContact O-N 3.17Å; A181-I184 PolarHBondContact O-N 2.9Å; A181-L185 VanDerWaalsContact O-CB 3.32Å; A181-L185 WeakPolarHBondContact O-CB 3.06Å; A181-L185 PolarHBondContact O-N 3.47Å
182	G	79.3	Confident	76.8	Confident	10 Å²	10	59 Å²	59	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-57.8	-43.1	173.7	0	0	0	0	0	112.1	N178 I179 L185 L186 Q212	N178-G182 PolarHBondContact O-N 3.26Å; I179-G182 PolarHBondContact O-N 3.37Å; G182-L185 PolarHBondContact O-N 3.11Å; G182-L186 WeakPolarHBondContact O-CB 3.14Å; G182-L186 PolarHBondContact O-N 3.3Å; G182-Q212 VanDerWaalsContact CA-OE1 3.28Å; G182-Q212 PolarHBondContact O-OE1 3.4Å
183	E	73.7	Confident	76.2	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.019	33%	0.331	C	S	.	.	H	α-helix	trans	-68.9	-44.3	-179.3	-172.7	54.6	-135.9	0	0	113	A118 T119 I179 F180 A181 L185 L186 T187	A118-E183 HydrophobicContact CB-CG 4.4Å; A118-E183 WeakPolarHBondContact CB-OE2 3.37Å; A118-E183 PolarHBondContact N-OE2 3.43Å; T119-E183 HydrophobicContact CG2-CG 4.45Å; I179-E183 WeakPolarHBondContact O-CB 3.3Å; I179-E183 PolarHBondContact O-N 2.98Å; F180-E183 PolarHBondContact O-N 3Å; A181-E183 VanDerWaalsContact C-N 3.28Å; A181-E183 PolarHBondContact O-N 3.17Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.41Å; E183-L186 WeakPolarHBondContact O-CB 2.98Å; E183-L186 PolarHBondContact O-N 2.84Å; E183-T187 PolarHBondContact O-N 3.47Å; E183-T187 PolarHBondContact O-OG1 3.13Å
184	I	77.5	Confident	75	Confident	77 Å²	77	60.5 Å²	60.5	40%	0.395	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-43.4	175.2	-71.2	-179.7	0	0	0	110.4	F180 A181 L186 T187 L188	F180-I184 HydrophobicContact CD1-CD1 3.77Å; F180-I184 HydrophobicContact CE1-CD1 3.18Å; F180-I184 HydrophobicContact CE1-CG1 4.26Å; F180-I184 HydrophobicContact CE2-CD1 4.19Å; F180-I184 HydrophobicContact CZ-CD1 3.42Å; F180-I184 VanDerWaalsContact CZ-CD1 3.42Å; F180-I184 HydrophobicContact CZ-CG1 4.32Å; F180-I184 PolarHBondContact O-N 3.06Å; A181-I184 PolarHBondContact O-N 2.9Å; I184-L186 VanDerWaalsContact C-N 3.31Å; I184-L186 PolarHBondContact O-N 3.41Å; I184-T187 PolarHBondContact O-N 3.36Å; I184-L188 HydrophobicContact CG2-CD1 3.85Å; I184-L188 HydrophobicContact CG2-CG 4.25Å; I184-L188 WeakPolarHBondContact O-CB 3.3Å; I184-L188 VanDerWaalsContact O-CG 3.29Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.36Å
185	L	80.5	Confident	74	Confident	91 Å²	91	59.7 Å²	59.7	48%	0.476	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-43.5	176.5	179.4	64.3	0	0	0	110.8	A181 G182 E183 T187 L188 L189	A181-L185 VanDerWaalsContact O-CB 3.32Å; A181-L185 WeakPolarHBondContact O-CB 3.06Å; A181-L185 PolarHBondContact O-N 3.47Å; G182-L185 PolarHBondContact O-N 3.11Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.41Å; L185-T187 PolarHBondContact O-N 3.27Å; L185-L188 PolarHBondContact O-N 3.44Å; L185-L189 WeakPolarHBondContact O-CB 3.35Å; L185-L189 PolarHBondContact O-N 3.31Å
186	L	75.3	Confident	73.1	Confident	30 Å²	30	65.9 Å²	65.9	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-58.9	-47.8	176.3	-179.2	70.4	0	0	0	111.4	G182 E183 I184 L189 A190 L208 Q212	G182-L186 WeakPolarHBondContact O-CB 3.14Å; G182-L186 PolarHBondContact O-N 3.3Å; E183-L186 WeakPolarHBondContact O-CB 2.98Å; E183-L186 PolarHBondContact O-N 2.84Å; I184-L186 VanDerWaalsContact C-N 3.31Å; I184-L186 PolarHBondContact O-N 3.41Å; L186-L189 PolarHBondContact O-N 2.86Å; L186-A190 WeakPolarHBondContact O-CB 3.38Å; L186-A190 PolarHBondContact O-N 3.39Å; L186-L208 HydrophobicContact CD1-CB 3.59Å; L186-L208 HydrophobicContact CD1-CD1 4.22Å; L186-L208 HydrophobicContact CD1-CG 4.34Å; L186-Q212 HydrophobicContact CD2-CB 4.49Å; L186-Q212 HydrophobicContact CD2-CG 4.31Å
187	T	67.9	Low	72.2	Confident	63 Å²	63	67.1 Å²	67.1	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-65.6	-40.9	-179.1	-69.7	0	0	0	0	112.1	E183 I184 L185 G191	E183-T187 PolarHBondContact O-N 3.47Å; E183-T187 PolarHBondContact O-OG1 3.13Å; I184-T187 PolarHBondContact O-N 3.36Å; L185-T187 PolarHBondContact O-N 3.27Å; T187-G191 PolarHBondContact O-N 3.48Å
188	L	78	Confident	71.3	Confident	116 Å²	116	69.2 Å²	69.2	61%	0.607	39%	0.393	S	S	*	.	H	α-helix	trans	-66.2	-44.6	175.8	-71.3	175.8	0	0	0	111.7	I184 L185 G191 L192	I184-L188 HydrophobicContact CG2-CD1 3.85Å; I184-L188 HydrophobicContact CG2-CG 4.25Å; I184-L188 WeakPolarHBondContact O-CB 3.3Å; I184-L188 VanDerWaalsContact O-CG 3.29Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.36Å; L185-L188 PolarHBondContact O-N 3.44Å; L188-G191 PolarHBondContact O-N 3.22Å; L188-L192 PolarHBondContact O-N 3.22Å
189	L	73.3	Confident	70.3	Confident	44 Å²	44	75.4 Å²	75.4	23%	0.23	41%	0.41	C	S	.	.	H	α-helix	trans	-74.1	-39.5	-175.4	-173.8	51.8	0	0	0	111.6	L185 L186 G191 L192 F193 L208	L185-L189 WeakPolarHBondContact O-CB 3.35Å; L185-L189 PolarHBondContact O-N 3.31Å; L186-L189 PolarHBondContact O-N 2.86Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 2.82Å; L189-L192 PolarHBondContact O-N 3.35Å; L189-F193 HydrophobicContact CB-CE2 4.49Å; L189-F193 HydrophobicContact CD1-CD2 3.6Å; L189-F193 HydrophobicContact CD1-CE1 4.48Å; L189-F193 HydrophobicContact CD1-CE2 3.06Å; L189-F193 HydrophobicContact CD1-CG 4.49Å; L189-F193 HydrophobicContact CD1-CZ 3.57Å; L189-F193 HydrophobicContact CD2-CE2 3.83Å; L189-F193 HydrophobicContact CG-CD2 3.61Å; L189-F193 HydrophobicContact CG-CE2 3.18Å; L189-F193 HydrophobicContact CG-CZ 4.13Å; L189-F193 WeakPolarHBondContact O-CB 3.47Å; L189-F193 WeakPolarHBondContact O-CD2 3.42Å; L189-F193 WeakPolarHBondContact O-CG 3.43Å; L189-F193 PolarHBondContact O-N 3.03Å; L189-L208 HydrophobicContact CD2-CD1 4.38Å; L189-L208 HydrophobicContact CD2-CD2 3.34Å; L189-L208 HydrophobicContact CD2-CG 4.45Å; L189-L208 HydrophobicContact CG-CD1 4.23Å; L189-L208 HydrophobicContact CG-CD2 4.09Å
190	A	69.7	Low	69.5	Low	28 Å²	28	76.7 Å²	76.7	23%	0.231	42%	0.423	C	S	.	.	H	α-helix	trans	-58.1	-46.4	167.9	0	0	0	0	0	110.6	L186 L192 F193 F194	L186-A190 WeakPolarHBondContact O-CB 3.38Å; L186-A190 PolarHBondContact O-N 3.39Å; A190-L192 VanDerWaalsContact C-N 3.33Å; A190-L192 PolarHBondContact O-N 2.82Å; A190-F193 PolarHBondContact O-N 2.74Å; A190-F194 HydrophobicContact CB-CE2 4.22Å; A190-F194 WeakPolarHBondContact O-CD2 3.38Å; A190-F194 WeakPolarHBondContact O-CE2 3.12Å; A190-F194 PolarHBondContact O-N 3.49Å; A190-F194 VanDerWaalsContact O-N 3.11Å
191	G	68	Low	68.8	Low	37 Å²	37	76 Å²	76	38%	0.381	42%	0.418	S	S	.	.	H	α-helix	trans	-55.6	-42.2	175	0	0	0	0	0	114.2	T187 L188 L189	T187-G191 PolarHBondContact O-N 3.48Å; L188-G191 PolarHBondContact O-N 3.22Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 2.82Å
192	L	68.2	Low	67.8	Low	114 Å²	114	79 Å²	79	60%	0.597	43%	0.425	S	S	*	.	H	α-helix	trans	-71.5	-44.4	177.9	-177	64.5	0	0	0	111.9	L188 L189 A190 F194 N195	L188-L192 PolarHBondContact O-N 3.22Å; L189-L192 PolarHBondContact O-N 3.35Å; A190-L192 VanDerWaalsContact C-N 3.33Å; A190-L192 PolarHBondContact O-N 2.82Å; L192-F194 PolarHBondContact O-N 3.38Å; L192-N195 PolarHBondContact O-N 3.3Å
193	F	64.3	Low	67.3	Low	61 Å²	61	85.1 Å²	85.1	27%	0.268	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-24.3	179.6	-75.7	-56	0	0	0	113.4	L189 A190 N195 E196 S204 L208	L189-F193 HydrophobicContact CB-CE2 4.49Å; L189-F193 HydrophobicContact CD1-CD2 3.6Å; L189-F193 HydrophobicContact CD1-CE1 4.48Å; L189-F193 HydrophobicContact CD1-CE2 3.06Å; L189-F193 HydrophobicContact CD1-CG 4.49Å; L189-F193 HydrophobicContact CD1-CZ 3.57Å; L189-F193 HydrophobicContact CD2-CE2 3.83Å; L189-F193 HydrophobicContact CG-CD2 3.61Å; L189-F193 HydrophobicContact CG-CE2 3.18Å; L189-F193 HydrophobicContact CG-CZ 4.13Å; L189-F193 WeakPolarHBondContact O-CB 3.47Å; L189-F193 WeakPolarHBondContact O-CD2 3.42Å; L189-F193 WeakPolarHBondContact O-CG 3.43Å; L189-F193 PolarHBondContact O-N 3.03Å; A190-F193 PolarHBondContact O-N 2.74Å; F193-N195 PolarHBondContact O-N 2.87Å; F193-E196 PolarHBondContact O-N 2.89Å; F193-S204 WeakPolarHBondContact CD2-OG 3.43Å; F193-S204 WeakPolarHBondContact CE2-OG 3.25Å; F193-S204 VanDerWaalsContact CZ-OG 3.31Å; F193-S204 WeakPolarHBondContact CZ-OG 3.5Å; F193-L208 HydrophobicContact CD2-CD1 4.1Å; F193-L208 HydrophobicContact CE2-CD1 4.1Å
194	F	58.7	Low	66.9	Low	108 Å²	108	85.9 Å²	85.9	47%	0.474	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.9	171.6	-74.5	-64.7	0	0	0	113.5	A190 L192	A190-F194 HydrophobicContact CB-CE2 4.22Å; A190-F194 WeakPolarHBondContact O-CD2 3.38Å; A190-F194 WeakPolarHBondContact O-CE2 3.12Å; A190-F194 PolarHBondContact O-N 3.49Å; A190-F194 VanDerWaalsContact O-N 3.11Å; L192-F194 PolarHBondContact O-N 3.38Å
195	N	63	Low	66.5	Low	129 Å²	129	83.6 Å²	83.6	69%	0.69	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.3	176.2	-89.4	-83.2	0	0	0	113.4	L192 F193 P197	L192-N195 PolarHBondContact O-N 3.3Å; F193-N195 PolarHBondContact O-N 2.87Å; N195-P197 VanDerWaalsContact O-CD 3.24Å; N195-P197 WeakPolarHBondContact O-CD 3.07Å
196	E	61.9	Low	66	Low	138 Å²	138	82.6 Å²	82.6	65%	0.645	45%	0.447	S	S	*	.			trans	-113.6	89.4	-177.2	-71.1	-64.7	141.3	0	0	110.5	F193 A198	F193-E196 PolarHBondContact O-N 2.89Å; E196-A198 PolarHBondContact O-N 2.84Å
197	P	56.4	Low	65.9	Low	106 Å²	106	83.1 Å²	83.1	69%	0.688	46%	0.46	S	S	*	.			trans	-76.7	-12.9	-161	25.8	-34.3	0	0	0	116.8	N195	N195-P197 VanDerWaalsContact O-CD 3.24Å; N195-P197 WeakPolarHBondContact O-CD 3.07Å
198	A	61.7	Low	66.1	Low	75 Å²	75	81.3 Å²	81.3	62%	0.62	45%	0.448	S	S	*	.	S	Bend	trans	-92.5	-47.9	-157.8	0	0	0	0	0	116	E196	E196-A198 PolarHBondContact O-N 2.84Å
199	W	60.7	Low	65.6	Low	221 Å²	221	77.1 Å²	77.1	84%	0.837	43%	0.425	S	S	*	.	S	Bend	trans	-133	-21.4	-168	-61.9	93.6	0	0	0	114.9
200	G	61.8	Low	65.6	Low	27 Å²	27	79.2 Å²	79.2	28%	0.278	44%	0.44	S	S	.	.	H	α-helix	trans	-66.7	-38.9	-178.6	0	0	0	0	0	113.1	I202 S204	G200-I202 PolarHBondContact O-N 2.94Å; G200-S204 WeakPolarHBondContact O-CA 3.4Å; G200-S204 WeakPolarHBondContact O-CB 3.15Å; G200-S204 PolarHBondContact O-N 2.86Å
201	W	60	Low	66	Low	61 Å²	61	86.1 Å²	86.1	23%	0.231	46%	0.46	C	S	.	.	H	α-helix	trans	-57.2	-51	-173.7	-171.4	-27.2	0	0	0	112.6	V103 K105 I203 S204 I205	V103-W201 HydrophobicContact CB-CZ2 4.32Å; V103-W201 HydrophobicContact CG1-CH2 4.15Å; V103-W201 HydrophobicContact CG1-CZ2 3.6Å; K105-W201 HydrophobicContact CB-CH2 4.38Å; K105-W201 HydrophobicContact CG-CH2 3.86Å; K105-W201 HydrophobicContact CG-CZ2 4.29Å; K105-W201 HydrophobicContact CG-CZ3 4.03Å; W201-I203 VanDerWaalsContact C-N 3.32Å; W201-I203 PolarHBondContact O-N 3.46Å; W201-S204 PolarHBondContact O-N 3.44Å; W201-I205 HydrophobicContact CG-CD1 4.27Å; W201-I205 HydrophobicContact CG-CG1 4.13Å; W201-I205 WeakPolarHBondContact O-CB 3.46Å; W201-I205 WeakPolarHBondContact O-CG1 3.29Å; W201-I205 PolarHBondContact O-N 3.38Å
202	I	64.3	Low	66.2	Low	118 Å²	118	84.9 Å²	84.9	61%	0.605	44%	0.444	S	S	*	.	H	α-helix	trans	-63.8	-37.7	-165.9	-121.4	71.6	0	0	0	112.5	G200 P206	G200-I202 PolarHBondContact O-N 2.94Å; I202-P206 WeakPolarHBondContact O-CD 3.09Å
203	I	67.7	Low	66.3	Low	139 Å²	139	79.6 Å²	79.6	71%	0.713	42%	0.417	S	S	*	.	H	α-helix	trans	-90.6	-38.6	179.2	-68.3	154.2	0	0	0	110.6	W201 G207	W201-I203 VanDerWaalsContact C-N 3.32Å; W201-I203 PolarHBondContact O-N 3.46Å; I203-G207 PolarHBondContact O-N 3.38Å
204	S	66.6	Low	66.8	Low	20 Å²	20	83 Å²	83	14%	0.14	43%	0.432	C	S	.	.	H	α-helix	trans	-69.9	-44.5	-174.1	-171.6	0	0	0	0	111.9	F193 G200 W201 G207 L208	F193-S204 WeakPolarHBondContact CD2-OG 3.43Å; F193-S204 WeakPolarHBondContact CE2-OG 3.25Å; F193-S204 VanDerWaalsContact CZ-OG 3.31Å; F193-S204 WeakPolarHBondContact CZ-OG 3.5Å; G200-S204 WeakPolarHBondContact O-CA 3.4Å; G200-S204 WeakPolarHBondContact O-CB 3.15Å; G200-S204 PolarHBondContact O-N 2.86Å; W201-S204 PolarHBondContact O-N 3.44Å; S204-G207 CarbonylContact O-C 3.54Å; S204-G207 WeakPolarHBondContact O-CA 3.33Å; S204-G207 PolarHBondContact O-N 3.14Å; S204-L208 WeakPolarHBondContact O-CB 3.36Å; S204-L208 WeakPolarHBondContact O-CG 3.41Å; S204-L208 PolarHBondContact O-N 3.24Å; S204-L208 VanDerWaalsContact OG-CD1 3.32Å; S204-L208 WeakPolarHBondContact OG-CD1 3.27Å; S204-L208 WeakPolarHBondContact OG-CG 3.06Å
205	I	69	Low	67.5	Low	30 Å²	30	79 Å²	79	15%	0.154	42%	0.418	C	S	.	.	H	α-helix	trans	-61.9	-46.4	-171.4	-68.2	-133.4	0	0	0	113.8	I102 W201 G207 L208 I209	I102-I205 HydrophobicContact CG2-CG2 4.4Å; W201-I205 HydrophobicContact CG-CD1 4.27Å; W201-I205 HydrophobicContact CG-CG1 4.13Å; W201-I205 WeakPolarHBondContact O-CB 3.46Å; W201-I205 WeakPolarHBondContact O-CG1 3.29Å; W201-I205 PolarHBondContact O-N 3.38Å; I205-G207 VanDerWaalsContact C-N 3.34Å; I205-L208 PolarHBondContact O-N 3.47Å; I205-I209 HydrophobicContact CG2-CD1 3.89Å; I205-I209 WeakPolarHBondContact O-CB 3.43Å; I205-I209 WeakPolarHBondContact O-CD1 3.5Å; I205-I209 VanDerWaalsContact O-CG1 3.27Å; I205-I209 WeakPolarHBondContact O-CG1 3.25Å; I205-I209 PolarHBondContact O-N 2.99Å; I205-I209 VanDerWaalsContact O-N 3.11Å
206	P	68.6	Low	68	Low	70 Å²	70	73 Å²	73	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-41.2	171.7	-21.9	33.7	0	0	0	112.3	I202 L208 I209 V210	I202-P206 WeakPolarHBondContact O-CD 3.09Å; P206-L208 PolarHBondContact O-N 3.11Å; P206-I209 PolarHBondContact O-N 2.9Å; P206-V210 WeakPolarHBondContact O-CB 3.27Å; P206-V210 VanDerWaalsContact O-CG2 3.27Å; P206-V210 WeakPolarHBondContact O-CG2 3.37Å; P206-V210 PolarHBondContact O-N 2.67Å
207	G	74.1	Confident	68.4	Low	41 Å²	41	68.6 Å²	68.6	42%	0.423	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-42.1	179.1	0	0	0	0	0	112.9	I203 S204 I205 W211	I203-G207 PolarHBondContact O-N 3.38Å; S204-G207 CarbonylContact O-C 3.54Å; S204-G207 WeakPolarHBondContact O-CA 3.33Å; S204-G207 PolarHBondContact O-N 3.14Å; I205-G207 VanDerWaalsContact C-N 3.34Å; G207-W211 WeakPolarHBondContact O-CB 3.1Å; G207-W211 PolarHBondContact O-N 3.29Å
208	L	71.8	Confident	69.3	Low	25 Å²	25	66.1 Å²	66.1	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-67.4	-43	178.2	-69.2	179.2	0	0	0	112.3	L186 L189 F193 S204 I205 P206 W211 Q212	L186-L208 HydrophobicContact CD1-CB 3.59Å; L186-L208 HydrophobicContact CD1-CD1 4.22Å; L186-L208 HydrophobicContact CD1-CG 4.34Å; L189-L208 HydrophobicContact CD2-CD1 4.38Å; L189-L208 HydrophobicContact CD2-CD2 3.34Å; L189-L208 HydrophobicContact CD2-CG 4.45Å; L189-L208 HydrophobicContact CG-CD1 4.23Å; L189-L208 HydrophobicContact CG-CD2 4.09Å; F193-L208 HydrophobicContact CD2-CD1 4.1Å; F193-L208 HydrophobicContact CE2-CD1 4.1Å; S204-L208 WeakPolarHBondContact O-CB 3.36Å; S204-L208 WeakPolarHBondContact O-CG 3.41Å; S204-L208 PolarHBondContact O-N 3.24Å; S204-L208 VanDerWaalsContact OG-CD1 3.32Å; S204-L208 WeakPolarHBondContact OG-CD1 3.27Å; S204-L208 WeakPolarHBondContact OG-CG 3.06Å; I205-L208 PolarHBondContact O-N 3.47Å; P206-L208 PolarHBondContact O-N 3.11Å; L208-W211 PolarHBondContact O-N 3.02Å; L208-Q212 WeakPolarHBondContact O-CB 3.15Å; L208-Q212 PolarHBondContact O-N 3.19Å
209	I	68.8	Low	69.9	Low	27 Å²	27	62.7 Å²	62.7	14%	0.138	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-47	177.5	-78.6	173.1	0	0	0	111	L98 I102 I205 P206 Q212 A213	L98-I209 HydrophobicContact CB-CG2 3.55Å; L98-I209 HydrophobicContact CD1-CG2 3.84Å; L98-I209 HydrophobicContact CD2-CB 4.16Å; L98-I209 HydrophobicContact CD2-CG1 4.05Å; L98-I209 HydrophobicContact CD2-CG2 3.53Å; L98-I209 HydrophobicContact CG-CG2 3.79Å; I102-I209 HydrophobicContact CG2-CD1 3.42Å; I102-I209 VanDerWaalsContact CG2-CD1 3.42Å; I205-I209 HydrophobicContact CG2-CD1 3.89Å; I205-I209 WeakPolarHBondContact O-CB 3.43Å; I205-I209 WeakPolarHBondContact O-CD1 3.5Å; I205-I209 VanDerWaalsContact O-CG1 3.27Å; I205-I209 WeakPolarHBondContact O-CG1 3.25Å; I205-I209 PolarHBondContact O-N 2.99Å; I205-I209 VanDerWaalsContact O-N 3.11Å; P206-I209 PolarHBondContact O-N 2.9Å; I209-Q212 PolarHBondContact O-N 3.01Å; I209-A213 WeakPolarHBondContact O-CB 3.38Å; I209-A213 PolarHBondContact O-N 2.93Å
210	V	72.1	Confident	70.2	Confident	88 Å²	88	53 Å²	53	53%	0.533	28%	0.284	S	S	.	.	H	α-helix	trans	-67.5	-40.6	178.2	172.8	0	0	0	0	110.6	P206 A213 F214	P206-V210 WeakPolarHBondContact O-CB 3.27Å; P206-V210 VanDerWaalsContact O-CG2 3.27Å; P206-V210 WeakPolarHBondContact O-CG2 3.37Å; P206-V210 PolarHBondContact O-N 2.67Å; V210-A213 PolarHBondContact O-N 3.18Å; V210-F214 VanDerWaalsContact O-CB 3.25Å; V210-F214 WeakPolarHBondContact O-CB 3.18Å; V210-F214 PolarHBondContact O-N 2.98Å
211	W	77.3	Confident	70.9	Confident	174 Å²	174	54.6 Å²	54.6	66%	0.659	29%	0.286	S	S	*	.	H	α-helix	trans	-60.7	-45.7	176.3	-176.7	-82.6	0	0	0	112	G207 L208 F214 S215	G207-W211 WeakPolarHBondContact O-CB 3.1Å; G207-W211 PolarHBondContact O-N 3.29Å; L208-W211 PolarHBondContact O-N 3.02Å; W211-F214 PolarHBondContact O-N 2.89Å; W211-S215 PolarHBondContact O-N 3.38Å
212	Q	73.7	Confident	71.5	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-46.5	177.5	-177.7	58	23.8	0	0	111.2	G182 L186 L208 I209 F214 S215 I216	G182-Q212 VanDerWaalsContact CA-OE1 3.28Å; G182-Q212 PolarHBondContact O-OE1 3.4Å; L186-Q212 HydrophobicContact CD2-CB 4.49Å; L186-Q212 HydrophobicContact CD2-CG 4.31Å; L208-Q212 WeakPolarHBondContact O-CB 3.15Å; L208-Q212 PolarHBondContact O-N 3.19Å; I209-Q212 PolarHBondContact O-N 3.01Å; Q212-F214 VanDerWaalsContact C-N 3.25Å; Q212-F214 PolarHBondContact O-N 3.33Å; Q212-S215 PolarHBondContact O-N 2.98Å; Q212-I216 WeakPolarHBondContact O-CG2 3.28Å; Q212-I216 PolarHBondContact O-N 3.43Å
213	A	70.4	Confident	71.9	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-38.2	175.4	0	0	0	0	0	113.1	M95 L98 I209 V210 I216 F217	M95-A213 HydrophobicContact CE-CB 3.05Å; L98-A213 HydrophobicContact CD1-CB 3.53Å; I209-A213 WeakPolarHBondContact O-CB 3.38Å; I209-A213 PolarHBondContact O-N 2.93Å; V210-A213 PolarHBondContact O-N 3.18Å; A213-I216 WeakPolarHBondContact O-CG2 3.46Å; A213-F217 WeakPolarHBondContact O-CB 2.79Å; A213-F217 PolarHBondContact O-N 3Å
214	F	74.9	Confident	72	Confident	133 Å²	133	45.3 Å²	45.3	58%	0.583	24%	0.239	S	C	*	.	H	α-helix	trans	-67.3	-41.4	178.6	-174.2	-105.2	0	0	0	111.4	V210 W211 Q212 F217 V218	V210-F214 VanDerWaalsContact O-CB 3.25Å; V210-F214 WeakPolarHBondContact O-CB 3.18Å; V210-F214 PolarHBondContact O-N 2.98Å; W211-F214 PolarHBondContact O-N 2.89Å; Q212-F214 VanDerWaalsContact C-N 3.25Å; Q212-F214 PolarHBondContact O-N 3.33Å; F214-F217 WeakPolarHBondContact O-CB 3.05Å; F214-F217 PolarHBondContact O-N 2.98Å; F214-V218 HydrophobicContact CD1-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CG2 3.93Å; F214-V218 HydrophobicContact CE2-CG2 4.23Å; F214-V218 HydrophobicContact CZ-CG2 3.89Å; F214-V218 WeakPolarHBondContact O-CG2 2.99Å; F214-V218 PolarHBondContact O-N 3.49Å
215	S	73.4	Confident	72.1	Confident	24 Å²	24	47.9 Å²	47.9	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-45.7	176.3	-172.2	0	0	0	0	112.3	N178 W211 Q212 F217 V218 G219	N178-S215 PolarHBondContact O-OG 3.12Å; W211-S215 PolarHBondContact O-N 3.38Å; Q212-S215 PolarHBondContact O-N 2.98Å; S215-F217 VanDerWaalsContact C-N 3.33Å; S215-F217 PolarHBondContact O-N 2.73Å; S215-V218 PolarHBondContact O-N 2.97Å; S215-G219 PolarHBondContact O-N 2.74Å
216	I	72.8	Confident	72.2	Confident	3 Å²	3	48 Å²	48	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-66.4	-33.9	176.2	-177.1	150.5	0	0	0	113	N94 L122 I179 Q212 A213 T220	N94-I216 WeakPolarHBondContact ND2-CD1 3.33Å; L122-I216 HydrophobicContact CD1-CD1 4.34Å; I179-I216 HydrophobicContact CD1-CB 4.04Å; I179-I216 HydrophobicContact CD1-CD1 4.37Å; I179-I216 HydrophobicContact CD1-CG1 3.89Å; I179-I216 HydrophobicContact CG1-CB 4.28Å; I179-I216 HydrophobicContact CG2-CB 4.34Å; I179-I216 HydrophobicContact CG2-CD1 4.24Å; Q212-I216 WeakPolarHBondContact O-CG2 3.28Å; Q212-I216 PolarHBondContact O-N 3.43Å; A213-I216 WeakPolarHBondContact O-CG2 3.46Å; I216-T220 WeakPolarHBondContact O-CB 3.47Å; I216-T220 PolarHBondContact O-N 3.5Å; I216-T220 PolarHBondContact O-OG1 3.4Å; I216-T220 VanDerWaalsContact O-OG1 3.11Å
217	F	71	Confident	72.1	Confident	45 Å²	45	45.7 Å²	45.7	20%	0.197	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-51.6	174.2	-169.5	-128.3	0	0	0	112.4	F91 A213 F214 S215 G219 T220 I221	F91-F217 AromaticContact CD1-CD2 3.48Å; F91-F217 HydrophobicContact CD1-CD2 3.48Å; F91-F217 VanDerWaalsContact CD1-CD2 3.48Å; F91-F217 AromaticContact CD1-CE2 3.6Å; F91-F217 HydrophobicContact CD1-CE2 3.6Å; F91-F217 HydrophobicContact CD2-CB 3.88Å; F91-F217 AromaticContact CD2-CD2 3.47Å; F91-F217 HydrophobicContact CD2-CD2 3.47Å; F91-F217 VanDerWaalsContact CD2-CD2 3.47Å; F91-F217 HydrophobicContact CD2-CE2 4.42Å; F91-F217 HydrophobicContact CD2-CG 4.08Å; F91-F217 AromaticContact CE1-CD2 3.17Å; F91-F217 HydrophobicContact CE1-CD2 3.17Å; F91-F217 AromaticContact CE1-CE2 3.26Å; F91-F217 HydrophobicContact CE1-CE2 3.26Å; F91-F217 AromaticContact CE1-CG 3.98Å; F91-F217 HydrophobicContact CE1-CG 3.98Å; F91-F217 HydrophobicContact CE1-CZ 4.16Å; F91-F217 HydrophobicContact CE2-CB 3.25Å; F91-F217 AromaticContact CE2-CD2 3.22Å; F91-F217 HydrophobicContact CE2-CD2 3.22Å; F91-F217 HydrophobicContact CE2-CE2 4.2Å; F91-F217 AromaticContact CE2-CG 3.47Å; F91-F217 HydrophobicContact CE2-CG 3.47Å; F91-F217 VanDerWaalsContact CE2-CG 3.47Å; F91-F217 AromaticContact CG-CD2 3.62Å; F91-F217 HydrophobicContact CG-CD2 3.62Å; F91-F217 HydrophobicContact CG-CE2 4.17Å; F91-F217 HydrophobicContact CZ-CB 3.68Å; F91-F217 HydrophobicContact CZ-CD1 4.23Å; F91-F217 AromaticContact CZ-CD2 3.03Å; F91-F217 HydrophobicContact CZ-CD2 3.03Å; F91-F217 AromaticContact CZ-CE2 3.61Å; F91-F217 HydrophobicContact CZ-CE2 3.61Å; F91-F217 AromaticContact CZ-CG 3.38Å; F91-F217 HydrophobicContact CZ-CG 3.38Å; F91-F217 HydrophobicContact CZ-CZ 4.4Å; A213-F217 WeakPolarHBondContact O-CB 2.79Å; A213-F217 PolarHBondContact O-N 3Å; F214-F217 WeakPolarHBondContact O-CB 3.05Å; F214-F217 PolarHBondContact O-N 2.98Å; S215-F217 VanDerWaalsContact C-N 3.33Å; S215-F217 PolarHBondContact O-N 2.73Å; F217-G219 VanDerWaalsContact C-N 3.26Å; F217-G219 PolarHBondContact O-N 3.42Å; F217-T220 VanDerWaalsContact O-CB 3.27Å; F217-T220 WeakPolarHBondContact O-CB 3.34Å; F217-T220 PolarHBondContact O-N 3.03Å; F217-T220 VanDerWaalsContact O-N 3.15Å; F217-I221 HydrophobicContact CD1-CD1 3.82Å; F217-I221 HydrophobicContact CE1-CD1 3.53Å; F217-I221 HydrophobicContact CE2-CD1 4.3Å; F217-I221 HydrophobicContact CG-CD1 4.34Å; F217-I221 HydrophobicContact CZ-CD1 3.82Å; F217-I221 WeakPolarHBondContact O-CG1 3.12Å; F217-I221 PolarHBondContact O-N 2.79Å
218	V	74.8	Confident	71.8	Confident	54 Å²	54	45.9 Å²	45.9	33%	0.327	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-41.2	-178.3	172.2	0	0	0	0	109.9	F214 S215 T220 I221 Q222	F214-V218 HydrophobicContact CD1-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CG2 3.93Å; F214-V218 HydrophobicContact CE2-CG2 4.23Å; F214-V218 HydrophobicContact CZ-CG2 3.89Å; F214-V218 WeakPolarHBondContact O-CG2 2.99Å; F214-V218 PolarHBondContact O-N 3.49Å; S215-V218 PolarHBondContact O-N 2.97Å; V218-T220 PolarHBondContact O-N 2.76Å; V218-I221 WeakPolarHBondContact O-CB 3.35Å; V218-I221 PolarHBondContact O-N 3.23Å; V218-Q222 WeakPolarHBondContact O-CG 3.46Å; V218-Q222 PolarHBondContact O-N 3.45Å
219	G	73	Confident	71.7	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-45	174.6	0	0	0	0	0	113.5	L175 S215 F217 I221 Q222 A223	L175-G219 WeakPolarHBondContact CD1-O 3.25Å; S215-G219 PolarHBondContact O-N 2.74Å; F217-G219 VanDerWaalsContact C-N 3.26Å; F217-G219 PolarHBondContact O-N 3.42Å; G219-I221 VanDerWaalsContact C-N 3.28Å; G219-I221 PolarHBondContact O-N 2.92Å; G219-Q222 WeakPolarHBondContact O-CB 3.45Å; G219-Q222 PolarHBondContact O-N 2.85Å; G219-Q222 VanDerWaalsContact O-N 3.1Å; G219-A223 PolarHBondContact O-N 3.42Å; G219-A223 VanDerWaalsContact O-N 3.14Å
220	T	69.1	Low	71.5	Confident	17 Å²	17	48.1 Å²	48.1	10%	0.104	24%	0.237	C	C	.	.	H	α-helix	trans	-54.9	-44.7	173.5	-80.2	0	0	0	0	111.9	I87 I216 F217 V218 Q222 A223 Y224	I87-T220 HydrophobicContact CG2-CG2 3.1Å; I216-T220 WeakPolarHBondContact O-CB 3.47Å; I216-T220 PolarHBondContact O-N 3.5Å; I216-T220 PolarHBondContact O-OG1 3.4Å; I216-T220 VanDerWaalsContact O-OG1 3.11Å; F217-T220 VanDerWaalsContact O-CB 3.27Å; F217-T220 WeakPolarHBondContact O-CB 3.34Å; F217-T220 PolarHBondContact O-N 3.03Å; F217-T220 VanDerWaalsContact O-N 3.15Å; V218-T220 PolarHBondContact O-N 2.76Å; T220-Q222 VanDerWaalsContact C-N 3.32Å; T220-Q222 PolarHBondContact O-N 2.93Å; T220-A223 PolarHBondContact O-N 3.29Å; T220-Y224 WeakPolarHBondContact O-CB 3.46Å; T220-Y224 PolarHBondContact O-N 3.38Å
221	I	75.3	Confident	71.1	Confident	61 Å²	61	46 Å²	46	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-39.6	176.7	-67.8	167.5	0	0	0	111.3	F217 V218 G219 Y224 I225	F217-I221 HydrophobicContact CD1-CD1 3.82Å; F217-I221 HydrophobicContact CE1-CD1 3.53Å; F217-I221 HydrophobicContact CE2-CD1 4.3Å; F217-I221 HydrophobicContact CG-CD1 4.34Å; F217-I221 HydrophobicContact CZ-CD1 3.82Å; F217-I221 WeakPolarHBondContact O-CG1 3.12Å; F217-I221 PolarHBondContact O-N 2.79Å; V218-I221 WeakPolarHBondContact O-CB 3.35Å; V218-I221 PolarHBondContact O-N 3.23Å; G219-I221 VanDerWaalsContact C-N 3.28Å; G219-I221 PolarHBondContact O-N 2.92Å; I221-Y224 WeakPolarHBondContact O-CB 3.32Å; I221-Y224 PolarHBondContact O-N 3.45Å; I221-I225 HydrophobicContact CG2-CD1 3.68Å; I221-I225 HydrophobicContact CG2-CG1 4.24Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 2.98Å
222	Q	73.7	Confident	70.3	Confident	86 Å²	86	40.7 Å²	40.7	40%	0.402	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-47.4	177.8	-70.3	-73.5	-38.5	0	0	111.9	V218 G219 T220 Y224 F226	V218-Q222 WeakPolarHBondContact O-CG 3.46Å; V218-Q222 PolarHBondContact O-N 3.45Å; G219-Q222 WeakPolarHBondContact O-CB 3.45Å; G219-Q222 PolarHBondContact O-N 2.85Å; G219-Q222 VanDerWaalsContact O-N 3.1Å; T220-Q222 VanDerWaalsContact C-N 3.32Å; T220-Q222 PolarHBondContact O-N 2.93Å; Q222-Y224 VanDerWaalsContact C-N 3.34Å; Q222-F226 PolarHBondContact O-N 3.49Å
223	A	71.8	Confident	69.7	Low	7 Å²	7	48.1 Å²	48.1	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-38.9	175.3	0	0	0	0	0	112.1	I129 L175 G219 T220 F226 I227	I129-A223 HydrophobicContact CG2-CB 4.31Å; L175-A223 HydrophobicContact CD2-CB 3.91Å; G219-A223 PolarHBondContact O-N 3.42Å; G219-A223 VanDerWaalsContact O-N 3.14Å; T220-A223 PolarHBondContact O-N 3.29Å; A223-F226 PolarHBondContact O-N 3.38Å; A223-I227 VanDerWaalsContact O-CG1 3.32Å; A223-I227 WeakPolarHBondContact O-CG1 3.32Å; A223-I227 PolarHBondContact O-N 2.93Å
224	Y	69.1	Low	68.8	Low	29 Å²	29	50 Å²	50	11%	0.114	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-51.1	178.5	171.8	-99.7	0	0	0	112.9	N70 H80 V84 T220 I221 Q222 F226 I227 M228	N70-Y224 HydrophobicContact CB-CE1 4.25Å; H80-Y224 AromaticContact CE1-CD2 3.8Å; H80-Y224 AromaticContact CE1-CE2 3.43Å; H80-Y224 VanDerWaalsContact CE1-CE2 3.43Å; H80-Y224 WeakPolarHBondContact CE1-CE2 3.18Å; H80-Y224 AromaticContact NE2-CD2 3.98Å; H80-Y224 AromaticContact NE2-CE2 3.18Å; H80-Y224 WeakPolarHBondContact NE2-CE2 3.45Å; H80-Y224 AromaticContact NE2-CZ 3.85Å; V84-Y224 HydrophobicContact CG1-CE2 4.27Å; V84-Y224 HydrophobicContact CG2-CD2 3.65Å; V84-Y224 HydrophobicContact CG2-CE2 3.58Å; T220-Y224 WeakPolarHBondContact O-CB 3.46Å; T220-Y224 PolarHBondContact O-N 3.38Å; I221-Y224 WeakPolarHBondContact O-CB 3.32Å; I221-Y224 PolarHBondContact O-N 3.45Å; Q222-Y224 VanDerWaalsContact C-N 3.34Å; Y224-F226 PolarHBondContact O-N 3.43Å; Y224-I227 PolarHBondContact O-N 2.84Å; Y224-M228 HydrophobicContact CD1-CE 3.97Å; Y224-M228 HydrophobicContact CE1-CE 3.46Å; Y224-M228 VanDerWaalsContact CE1-CE 3.46Å; Y224-M228 HydrophobicContact CE1-SD 4.19Å; Y224-M228 WeakPolarHBondContact O-CB 3.45Å; Y224-M228 PolarHBondContact O-N 3.36Å
225	I	70.5	Confident	67.8	Low	74 Å²	74	46 Å²	46	38%	0.379	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-38.5	-178.4	-68	168.2	0	0	0	110.5	I221 M228 L229	I221-I225 HydrophobicContact CG2-CD1 3.68Å; I221-I225 HydrophobicContact CG2-CG1 4.24Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 2.98Å; I225-M228 HydrophobicContact CB-CE 4.38Å; I225-M228 HydrophobicContact CG1-CE 4.19Å; I225-M228 WeakPolarHBondContact O-CB 3.47Å; I225-M228 PolarHBondContact O-N 2.77Å; I225-L229 HydrophobicContact CG2-CD1 4.13Å; I225-L229 WeakPolarHBondContact O-CG 2.89Å; I225-L229 PolarHBondContact O-N 2.81Å
226	F	69.2	Low	66.7	Low	33 Å²	33	51 Å²	51	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-69.6	-47	178	179.4	-91.6	0	0	0	112.9	H133 T168 L171 Q222 A223 Y224 M228 L229 S230	H133-F226 AromaticContact NE2-CD1 3.78Å; T168-F226 HydrophobicContact CG2-CD1 4.42Å; T168-F226 HydrophobicContact CG2-CE1 3.85Å; T168-F226 WeakPolarHBondContact OG1-CE1 3.12Å; T168-F226 VanDerWaalsContact OG1-CZ 3.31Å; T168-F226 WeakPolarHBondContact OG1-CZ 3.41Å; L171-F226 HydrophobicContact CD2-CB 3.3Å; L171-F226 HydrophobicContact CD2-CD1 4.36Å; L171-F226 HydrophobicContact CD2-CD2 4.02Å; L171-F226 HydrophobicContact CD2-CG 3.62Å; Q222-F226 PolarHBondContact O-N 3.49Å; A223-F226 PolarHBondContact O-N 3.38Å; Y224-F226 PolarHBondContact O-N 3.43Å; F226-M228 PolarHBondContact O-N 3.06Å; F226-L229 PolarHBondContact O-N 2.91Å; F226-L229 VanDerWaalsContact O-N 3.09Å; F226-S230 PolarHBondContact O-N 2.68Å
227	I	66.6	Low	65.6	Low	21 Å²	21	57.9 Å²	57.9	11%	0.108	29%	0.285	C	S	.	.	H	α-helix	trans	-54	-42.7	174	-65.9	161.6	0	0	0	110	H80 H133 A223 Y224 M231	H80-I227 WeakPolarHBondContact ND1-CG2 3.43Å; H133-I227 WeakPolarHBondContact CE1-CD1 3.29Å; H133-I227 WeakPolarHBondContact CE1-CG1 3.44Å; H133-I227 WeakPolarHBondContact NE2-CG1 3.03Å; A223-I227 VanDerWaalsContact O-CG1 3.32Å; A223-I227 WeakPolarHBondContact O-CG1 3.32Å; A223-I227 PolarHBondContact O-N 2.93Å; Y224-I227 PolarHBondContact O-N 2.84Å; I227-M231 VanDerWaalsContact O-CB 3.26Å; I227-M231 WeakPolarHBondContact O-CB 2.83Å; I227-M231 PolarHBondContact O-N 3.37Å
228	M	67.8	Low	64.5	Low	45 Å²	45	59.4 Å²	59.4	22%	0.222	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-47.5	178.4	173.4	173	40.7	0	0	111.3	Y224 I225 F226 M231 V232	Y224-M228 HydrophobicContact CD1-CE 3.97Å; Y224-M228 HydrophobicContact CE1-CE 3.46Å; Y224-M228 VanDerWaalsContact CE1-CE 3.46Å; Y224-M228 HydrophobicContact CE1-SD 4.19Å; Y224-M228 WeakPolarHBondContact O-CB 3.45Å; Y224-M228 PolarHBondContact O-N 3.36Å; I225-M228 HydrophobicContact CB-CE 4.38Å; I225-M228 HydrophobicContact CG1-CE 4.19Å; I225-M228 WeakPolarHBondContact O-CB 3.47Å; I225-M228 PolarHBondContact O-N 2.77Å; F226-M228 PolarHBondContact O-N 3.06Å; M228-M231 PolarHBondContact O-N 2.91Å; M228-V232 WeakPolarHBondContact O-CB 3.46Å; M228-V232 VanDerWaalsContact O-CG2 3.25Å; M228-V232 WeakPolarHBondContact O-CG2 3.01Å; M228-V232 PolarHBondContact O-N 3.39Å
229	L	69.7	Low	63.1	Low	84 Å²	84	59.8 Å²	59.8	44%	0.44	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-49.4	176	-74	169.5	0	0	0	111.8	I225 F226 M231 V232 Y233	I225-L229 HydrophobicContact CG2-CD1 4.13Å; I225-L229 WeakPolarHBondContact O-CG 2.89Å; I225-L229 PolarHBondContact O-N 2.81Å; F226-L229 PolarHBondContact O-N 2.91Å; F226-L229 VanDerWaalsContact O-N 3.09Å; L229-M231 VanDerWaalsContact C-N 3.28Å; L229-M231 PolarHBondContact O-N 3.27Å; L229-V232 PolarHBondContact O-N 3.21Å; L229-V232 VanDerWaalsContact O-N 3.09Å; L229-Y233 HydrophobicContact CB-CD2 4.36Å; L229-Y233 HydrophobicContact CB-CE2 4.25Å; L229-Y233 HydrophobicContact CD2-CE2 4.4Å; L229-Y233 WeakPolarHBondContact O-CD2 3.44Å; L229-Y233 PolarHBondContact O-N 3.11Å
230	S	65.9	Low	61.2	Low	15 Å²	15	66.6 Å²	66.6	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-56.7	-41.2	174.9	-85.4	0	0	0	0	112.2	E164 F226 M234	E164-S230 WeakPolarHBondContact OE1-CB 3.31Å; E164-S230 PolarHBondContact OE1-OG 3.35Å; F226-S230 PolarHBondContact O-N 2.68Å; S230-M234 WeakPolarHBondContact O-CB 3.45Å; S230-M234 PolarHBondContact O-N 2.9Å; S230-M234 VanDerWaalsContact O-N 3.17Å
231	M	62.9	Low	59.3	Low	43 Å²	43	70.7 Å²	70.7	21%	0.212	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-45.3	174.9	179.4	174.8	-65.5	0	0	111.4	M71 G76 H80 I227 M228 L229 M234 S235	M71-M231 HydrophobicContact CE-SD 4.11Å; G76-M231 WeakPolarHBondContact O-CE 3.05Å; H80-M231 HydrophobicContact CB-CE 3.42Å; H80-M231 VanDerWaalsContact CB-CE 3.42Å; H80-M231 HydrophobicContact CB-SD 4.4Å; I227-M231 VanDerWaalsContact O-CB 3.26Å; I227-M231 WeakPolarHBondContact O-CB 2.83Å; I227-M231 PolarHBondContact O-N 3.37Å; M228-M231 PolarHBondContact O-N 2.91Å; L229-M231 VanDerWaalsContact C-N 3.28Å; L229-M231 PolarHBondContact O-N 3.27Å; M231-M234 PolarHBondContact O-N 3.29Å; M231-S235 WeakPolarHBondContact O-CB 2.83Å; M231-S235 PolarHBondContact O-N 3.3Å
232	V	61.1	Low	57.3	Low	64 Å²	64	80 Å²	80	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-52.7	179.8	170.8	0	0	0	0	110.5	M228 L229 M234 S235 H236	M228-V232 WeakPolarHBondContact O-CB 3.46Å; M228-V232 VanDerWaalsContact O-CG2 3.25Å; M228-V232 WeakPolarHBondContact O-CG2 3.01Å; M228-V232 PolarHBondContact O-N 3.39Å; L229-V232 PolarHBondContact O-N 3.21Å; L229-V232 VanDerWaalsContact O-N 3.09Å; V232-M234 PolarHBondContact O-N 3.32Å; V232-M234 VanDerWaalsContact O-N 3.14Å; V232-S235 PolarHBondContact O-N 3.38Å; V232-H236 PolarHBondContact O-N 3.3Å; V232-H236 PolarHBondContact O-ND1 3.26Å
233	Y	61.4	Low	56.5	Low	165 Å²	165	79.7 Å²	79.7	65%	0.647	40%	0.402	S	S	*	.	H	α-helix	trans	-54.5	-38.9	179.4	-81.2	-64.7	0	0	0	112.7	L229 H236 K237	L229-Y233 HydrophobicContact CB-CD2 4.36Å; L229-Y233 HydrophobicContact CB-CE2 4.25Å; L229-Y233 HydrophobicContact CD2-CE2 4.4Å; L229-Y233 WeakPolarHBondContact O-CD2 3.44Å; L229-Y233 PolarHBondContact O-N 3.11Å; Y233-H236 PolarHBondContact O-N 3.48Å; Y233-K237 PolarHBondContact O-N 3.27Å; Y233-K237 VanDerWaalsContact O-N 3.17Å
234	M	51.3	Low	55.7	Low	43 Å²	43	83.5 Å²	83.5	21%	0.212	42%	0.42	C	S	.	.	H	α-helix	trans	-93.6	-18.5	-171.5	-135.4	-61.8	-155.9	0	0	111.6	R140 S230 M231 V232 V238	R140-M234 PolarHBondContact NE-SD 3.4Å; R140-M234 VanDerWaalsContact NH2-C 3.33Å; R140-M234 VanDerWaalsContact NH2-CG 3.31Å; R140-M234 PolarHBondContact NH2-O 3.49Å; R140-M234 PolarHBondContact NH2-SD 2.62Å; S230-M234 WeakPolarHBondContact O-CB 3.45Å; S230-M234 PolarHBondContact O-N 2.9Å; S230-M234 VanDerWaalsContact O-N 3.17Å; M231-M234 PolarHBondContact O-N 3.29Å; V232-M234 PolarHBondContact O-N 3.32Å; V232-M234 VanDerWaalsContact O-N 3.14Å; M234-V238 WeakPolarHBondContact O-CB 3.35Å; M234-V238 WeakPolarHBondContact O-CG2 3.4Å; M234-V238 PolarHBondContact O-N 2.92Å; M234-V238 HydrophobicContact SD-CG2 4.24Å
235	S	53	Low	55	Low	49 Å²	49	86.6 Å²	86.6	34%	0.343	44%	0.437	S	S	.	.	H	α-helix	trans	-68.3	-36.9	161.6	-171.8	0	0	0	0	111	M231 V232 V238 A239	M231-S235 WeakPolarHBondContact O-CB 2.83Å; M231-S235 PolarHBondContact O-N 3.3Å; V232-S235 PolarHBondContact O-N 3.38Å; S235-V238 PolarHBondContact O-N 3.02Å; S235-A239 WeakPolarHBondContact O-CB 3.24Å; S235-A239 PolarHBondContact O-N 3.34Å; S235-A239 VanDerWaalsContact O-N 3.14Å
236	H	51.3	Low	54.1	Low	129 Å²	129	87.3 Å²	87.3	60%	0.597	44%	0.441	S	S	*	.	H	α-helix	trans	-67.6	-42.3	175.8	-74.4	80.9	0	0	0	111.6	V232 Y233 V238 A239	V232-H236 PolarHBondContact O-N 3.3Å; V232-H236 PolarHBondContact O-ND1 3.26Å; Y233-H236 PolarHBondContact O-N 3.48Å; H236-V238 VanDerWaalsContact C-N 3.32Å; H236-V238 PolarHBondContact O-N 2.76Å; H236-A239 PolarHBondContact O-N 3.33Å
237	K	48.8	Very low	53.1	Low	149 Å²	149	90.7 Å²	90.7	65%	0.648	46%	0.459	S	S	*	.	H	α-helix	trans	-68.1	-26.6	175.5	-73.4	-168.7	175.9	-178.1	0	114.5	Y233	Y233-K237 PolarHBondContact O-N 3.27Å; Y233-K237 VanDerWaalsContact O-N 3.17Å
238	V	47.8	Very low	52.2	Low	76 Å²	76	95.3 Å²	95.3	46%	0.461	48%	0.483	S	S	.	.	H	α-helix	trans	-83.9	-15	176.6	170.7	0	0	0	0	112	M234 S235 H236	M234-V238 WeakPolarHBondContact O-CB 3.35Å; M234-V238 WeakPolarHBondContact O-CG2 3.4Å; M234-V238 PolarHBondContact O-N 2.92Å; M234-V238 HydrophobicContact SD-CG2 4.24Å; S235-V238 PolarHBondContact O-N 3.02Å; H236-V238 VanDerWaalsContact C-N 3.32Å; H236-V238 PolarHBondContact O-N 2.76Å
239	A	45.1	Very low	51.1	Low	62 Å²	62	98.9 Å²	98.9	51%	0.512	50%	0.501	S	S	.	.	H	α-helix	trans	-82	-21.2	-177.2	0	0	0	0	0	114.4	S235 H236 E241	S235-A239 WeakPolarHBondContact O-CB 3.24Å; S235-A239 PolarHBondContact O-N 3.34Å; S235-A239 VanDerWaalsContact O-N 3.14Å; H236-A239 PolarHBondContact O-N 3.33Å; A239-E241 PolarHBondContact O-N 3.03Å
240	D	34.1	Very low	49.7	Very low	146 Å²	146	100.1 Å²	100.1	78%	0.781	51%	0.506	S	S	*	.			trans	-98.8	47	-178.6	-82.2	-14.9	0	0	0	113.5
241	E	28.7	Very low	48.3	Very low	103 Å²	103	107.2 Å²	107.2	48%	0.481	54%	0.539	S	S	.	.			trans	-117.1	26.3	162.5	-63.1	-170.7	-174.9	0	0	112.7	Q144 A239	Q144-E241 PolarHBondContact NE2-OE2 3.37Å; A239-E241 PolarHBondContact O-N 3.03Å
242	H	34.6	Very low	47	Very low	257 Å²	257	113 Å²	113	100%	1.19	57%	0.569	S	S	*	*			trans	-122.6	0	164.4	-71.9	-46	0	0	0	111.3

Retrieved 242 of 242 residues in 469.3 ms (Link to these results)

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