A0A077ZDF1_TRITR Loading...

G protein linked acetylcholine receptor GAR 2a

AlphaFold DB , UniProt , Accession A0A077ZDF1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 779 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	42.7	Very low	235 Å²	235	136.4 Å²	136.4	100%	1.158	81%	0.805	S	S	*	*				0	113.9	0	-78.2	179.4	172.8	0	0	105.4
2	N	38.3	Very low	42.4	Very low	157 Å²	157	138.6 Å²	138.6	84%	0.84	81%	0.811	S	S	*	*			trans	-123.3	135.5	-151.6	-52.9	11.7	0	0	0	110
3	S	52.4	Low	42	Very low	128 Å²	128	133.4 Å²	133.4	90%	0.895	80%	0.804	S	S	*	*			trans	-175.2	112.4	142.3	-108.4	0	0	0	0	109.6
4	S	43.1	Very low	42.4	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	80%	0.803	S	S	*	*			trans	-153.7	115.1	171.9	56.1	0	0	0	0	109.9
5	L	44.9	Very low	43.6	Very low	157 Å²	157	134.5 Å²	134.5	82%	0.822	79%	0.792	S	S	*	*			trans	49.2	95.2	155.6	-66.1	161.5	0	0	0	117.2	V7	L5-V7 HydrophobicContact CB-CG2 4.39Å; L5-V7 HydrophobicContact CD2-CG2 4.08Å
6	A	42.2	Very low	45.4	Very low	88 Å²	88	134 Å²	134	73%	0.727	79%	0.791	S	S	*	*			trans	-79.3	134.3	135.5	0	0	0	0	0	107.8
7	V	48.4	Very low	47	Very low	112 Å²	112	129.7 Å²	129.7	68%	0.679	76%	0.763	S	S	*	*			trans	-124.5	97.9	169	176.4	0	0	0	0	106	L5 L9	L5-V7 HydrophobicContact CB-CG2 4.39Å; L5-V7 HydrophobicContact CD2-CG2 4.08Å; V7-L9 PolarHBondContact O-N 3.22Å
8	D	43	Very low	49	Very low	149 Å²	149	128.3 Å²	128.3	80%	0.797	75%	0.752	S	S	*	*			trans	-73.8	120.4	179.5	-70.3	-54.2	0	0	0	110
9	L	38.5	Very low	50.8	Low	159 Å²	159	128.3 Å²	128.3	83%	0.832	74%	0.737	S	S	*	*			trans	-107.6	61.8	-173.7	-141.8	167	0	0	0	110.4	V7	V7-L9 PolarHBondContact O-N 3.22Å
10	S	40.8	Very low	52.4	Low	91 Å²	91	124.9 Å²	124.9	64%	0.636	72%	0.722	S	S	*	*			trans	-89.1	101.4	169.8	54.6	0	0	0	0	109.5
11	T	39.3	Very low	54	Low	114 Å²	114	120.6 Å²	120.6	70%	0.699	70%	0.699	S	S	*	*	S	Bend		53.7	118.4	91	65	0	0	0	0	113.6
12	N	38.2	Very low	56.2	Low	163 Å²	163	114 Å²	114	87%	0.872	67%	0.673	S	S	*	*			trans	64	61.8	-174.5	-59	-9.9	0	0	0	113.5	D14	N12-D14 VanDerWaalsContact C-N 3.25Å; N12-D14 PolarHBondContact O-N 3.14Å
13	G	37.4	Very low	58.6	Low	71 Å²	71	109.2 Å²	109.2	73%	0.732	64%	0.644	S	S	*	*			trans	-72.3	72.2	174.2	0	0	0	0	0	113.4	E15	G13-E15 PolarHBondContact O-N 3.21Å; G13-E15 VanDerWaalsContact O-N 3.08Å
14	D	47.4	Very low	60.6	Low	146 Å²	146	106.9 Å²	106.9	78%	0.781	63%	0.625	S	S	*	*			trans	-71.2	85.5	148.5	-164.4	19.8	0	0	0	106	N12 T16	N12-D14 VanDerWaalsContact C-N 3.25Å; N12-D14 PolarHBondContact O-N 3.14Å; D14-T16 VanDerWaalsContact C-N 3.33Å; D14-T16 PolarHBondContact O-N 2.87Å
15	E	60.3	Low	62.9	Low	137 Å²	137	107.7 Å²	107.7	64%	0.64	62%	0.62	S	S	*	*			trans	-60.4	96.3	178.1	-73.2	-167.8	134.4	0	0	107.9	G13 I17 K179	G13-E15 PolarHBondContact O-N 3.21Å; G13-E15 VanDerWaalsContact O-N 3.08Å; E15-I17 PolarHBondContact O-N 2.6Å; E15-K179 IonicContact OE2-NZ 3.3Å; E15-K179 PolarHBondContact OE2-NZ 3.22Å
16	T	72.7	Confident	65.3	Low	127 Å²	127	106.8 Å²	106.8	78%	0.779	62%	0.615	S	S	*	*			trans	-68.5	84.8	176.8	45.8	0	0	0	0	109.2	D14 D18	D14-T16 VanDerWaalsContact C-N 3.33Å; D14-T16 PolarHBondContact O-N 2.87Å; T16-D18 PolarHBondContact O-N 3.47Å
17	I	72.6	Confident	67.7	Low	61 Å²	61	107.3 Å²	107.3	31%	0.313	60%	0.603	S	S	.	*			trans	-49.2	110.8	-178.7	-63	158.9	0	0	0	107.9	E15 W19 K94 H181	E15-I17 PolarHBondContact O-N 2.6Å; I17-W19 HydrophobicContact CG2-CD2 4.3Å; I17-W19 HydrophobicContact CG2-CZ2 4.2Å; I17-W19 PolarHBondContact O-N 3.04Å; I17-K94 HydrophobicContact CG2-CD 4.43Å; I17-H181 VanDerWaalsContact CD1-ND1 3.26Å; I17-H181 WeakPolarHBondContact CD1-ND1 3.46Å
18	D	83.4	Confident	69.9	Low	104 Å²	104	104 Å²	104	56%	0.556	58%	0.58	S	S	*	*			trans	-65	109.5	173.9	173.6	23.3	0	0	0	107.9	T16 S20 K94	T16-D18 PolarHBondContact O-N 3.47Å; D18-S20 VanDerWaalsContact CG-OG 3.28Å; D18-S20 PolarHBondContact O-N 3.09Å; D18-S20 WeakPolarHBondContact OD1-CB 3.32Å; D18-S20 PolarHBondContact OD1-N 3.35Å; D18-S20 PolarHBondContact OD1-OG 3.24Å; D18-S20 WeakPolarHBondContact OD2-CB 3.26Å; D18-S20 PolarHBondContact OD2-OG 3.17Å; D18-K94 PolarHBondContact O-NZ 3.34Å
19	W	82.9	Confident	72.3	Confident	128 Å²	128	101.1 Å²	101.1	49%	0.485	56%	0.564	S	S	.	*			trans	-81.3	9.7	177.5	-72.2	95.7	0	0	0	113	I17 K94 T96 H181	I17-W19 HydrophobicContact CG2-CD2 4.3Å; I17-W19 HydrophobicContact CG2-CZ2 4.2Å; I17-W19 PolarHBondContact O-N 3.04Å; W19-K94 HydrophobicContact CE3-CB 4.15Å; W19-K94 HydrophobicContact CE3-CD 4.21Å; W19-K94 HydrophobicContact CH2-CB 4.22Å; W19-K94 HydrophobicContact CZ3-CB 3.56Å; W19-K94 HydrophobicContact CZ3-CD 4.41Å; W19-K94 HydrophobicContact CZ3-CG 4.49Å; W19-T96 HydrophobicContact CE3-CG2 4.44Å; W19-T96 HydrophobicContact CH2-CG2 4.16Å; W19-T96 HydrophobicContact CZ3-CG2 3.64Å; W19-H181 HydrophobicContact CH2-CB 4.18Å
20	S	84	Confident	75	Confident	61 Å²	61	100.2 Å²	100.2	43%	0.427	55%	0.554	S	S	.	*			trans	-57	141.8	166.4	84.9	0	0	0	0	111.1	D18 K94	D18-S20 VanDerWaalsContact CG-OG 3.28Å; D18-S20 PolarHBondContact O-N 3.09Å; D18-S20 WeakPolarHBondContact OD1-CB 3.32Å; D18-S20 PolarHBondContact OD1-N 3.35Å; D18-S20 PolarHBondContact OD1-OG 3.24Å; D18-S20 WeakPolarHBondContact OD2-CB 3.26Å; D18-S20 PolarHBondContact OD2-OG 3.17Å; S20-K94 PolarHBondContact O-NZ 3.1Å
21	S	84.5	Confident	77.6	Confident	34 Å²	34	97.3 Å²	97.3	24%	0.238	54%	0.535	C	S	.	.			trans	-92	136.6	169.9	-175.4	0	0	0	0	108.6	Y23 L90	S21-Y23 PolarHBondContact O-N 3.3Å; S21-Y23 VanDerWaalsContact O-N 3.14Å; S21-Y23 PolarHBondContact OG-N 2.91Å; S21-L90 WeakPolarHBondContact CB-O 3.47Å; S21-L90 PolarHBondContact OG-O 3.35Å
22	P	86.1	Confident	80.2	Confident	96 Å²	96	94 Å²	94	62%	0.623	52%	0.52	S	S	*	.	S	Bend	trans	-68.7	-6.5	174	31.2	-36.2	0	0	0	112.6
23	Y	89.3	Confident	83	Confident	57 Å²	57	91.7 Å²	91.7	22%	0.224	51%	0.506	C	S	.	.	S	Bend	trans	-96.9	137	179.5	-57.1	-67.7	0	0	0	111.6	S21 V89	S21-Y23 PolarHBondContact O-N 3.3Å; S21-Y23 VanDerWaalsContact O-N 3.14Å; S21-Y23 PolarHBondContact OG-N 2.91Å; Y23-V89 WeakPolarHBondContact CE2-O 3.46Å
24	T	93.6	Very high	85.7	Confident	80 Å²	80	92 Å²	92	49%	0.491	49%	0.49	S	S	.	.			trans	-63.4	150.8	170.9	63	0	0	0	0	110.9	L26 Q27 I28	T24-L26 PolarHBondContact O-N 3.04Å; T24-L26 VanDerWaalsContact O-N 3.09Å; T24-Q27 WeakPolarHBondContact O-CB 3.37Å; T24-Q27 PolarHBondContact O-N 3.12Å; T24-Q27 VanDerWaalsContact OG1-CD 3.28Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.32Å; T24-Q27 PolarHBondContact OG1-N 2.84Å; T24-Q27 PolarHBondContact OG1-OE1 3.33Å; T24-I28 PolarHBondContact O-N 3.44Å
25	L	92.6	Very high	88	Confident	126 Å²	126	85.8 Å²	85.8	66%	0.66	46%	0.457	S	S	*	.	H	α-helix	trans	-52.9	-34.7	177.1	-178.1	61.6	0	0	0	112.7	I28 I29	L25-I28 PolarHBondContact O-N 3.29Å; L25-I29 HydrophobicContact CD1-CD1 4.06Å; L25-I29 HydrophobicContact CD1-CG1 4.3Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 WeakPolarHBondContact O-CB 3.37Å; L25-I29 VanDerWaalsContact O-CG1 3.26Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.35Å
26	L	94.5	Very high	89.7	Confident	139 Å²	139	80.9 Å²	80.9	73%	0.728	44%	0.444	S	S	*	.	H	α-helix	trans	-64.1	-45.5	175.3	-171.1	76.9	0	0	0	112.2	T24 I28 F30	T24-L26 PolarHBondContact O-N 3.04Å; T24-L26 VanDerWaalsContact O-N 3.09Å; L26-I28 VanDerWaalsContact C-N 3.35Å; L26-F30 VanDerWaalsContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CB 3.48Å; L26-F30 PolarHBondContact O-N 3.03Å
27	Q	92.8	Very high	90.8	Very high	99 Å²	99	79.3 Å²	79.3	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-41.7	176.2	-73.2	161.5	-47.5	0	0	111.2	T24 F30 A31	T24-Q27 WeakPolarHBondContact O-CB 3.37Å; T24-Q27 PolarHBondContact O-N 3.12Å; T24-Q27 VanDerWaalsContact OG1-CD 3.28Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.32Å; T24-Q27 PolarHBondContact OG1-N 2.84Å; T24-Q27 PolarHBondContact OG1-OE1 3.33Å; Q27-F30 PolarHBondContact O-N 3.04Å; Q27-A31 VanDerWaalsContact O-CB 3.24Å; Q27-A31 WeakPolarHBondContact O-CB 3.26Å; Q27-A31 PolarHBondContact O-N 3.19Å
28	I	93.4	Very high	91.9	Very high	42 Å²	42	78.6 Å²	78.6	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-61.2	-50.2	177.7	-64.4	171	0	0	0	110.6	T24 L25 L26 F30 A32 L90	T24-I28 PolarHBondContact O-N 3.44Å; L25-I28 PolarHBondContact O-N 3.29Å; L26-I28 VanDerWaalsContact C-N 3.35Å; I28-F30 PolarHBondContact O-N 2.92Å; I28-A32 WeakPolarHBondContact O-CB 3.5Å; I28-A32 PolarHBondContact O-N 2.89Å; I28-L90 HydrophobicContact CB-CD2 4.5Å; I28-L90 HydrophobicContact CG1-CD2 4.41Å; I28-L90 HydrophobicContact CG2-CB 4.46Å; I28-L90 HydrophobicContact CG2-CD1 4.39Å; I28-L90 HydrophobicContact CG2-CD2 4.35Å
29	I	95.3	Very high	92.6	Very high	89 Å²	89	74.2 Å²	74.2	46%	0.456	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-46.2	178.2	-69.5	166.6	0	0	0	111	L25 A32 L33	L25-I29 HydrophobicContact CD1-CD1 4.06Å; L25-I29 HydrophobicContact CD1-CG1 4.3Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 WeakPolarHBondContact O-CB 3.37Å; L25-I29 VanDerWaalsContact O-CG1 3.26Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.35Å; I29-A32 PolarHBondContact O-N 3.37Å; I29-L33 HydrophobicContact CG2-CD1 3.87Å; I29-L33 HydrophobicContact CG2-CG 4.47Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.47Å; I29-L33 PolarHBondContact O-N 3.13Å
30	F	95.1	Very high	93.3	Very high	140 Å²	140	72.1 Å²	72.1	61%	0.614	41%	0.409	S	S	*	.	H	α-helix	trans	-65.7	-44.2	-177.9	-174.1	-110.2	0	0	0	112.5	L26 Q27 I28 I34	L26-F30 VanDerWaalsContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CB 3.48Å; L26-F30 PolarHBondContact O-N 3.03Å; Q27-F30 PolarHBondContact O-N 3.04Å; I28-F30 PolarHBondContact O-N 2.92Å; F30-I34 HydrophobicContact CD1-CD1 3.88Å; F30-I34 HydrophobicContact CD2-CD1 4.46Å; F30-I34 HydrophobicContact CE1-CD1 3.45Å; F30-I34 VanDerWaalsContact CE1-CD1 3.45Å; F30-I34 HydrophobicContact CE2-CD1 4.08Å; F30-I34 HydrophobicContact CG-CD1 4.38Å; F30-I34 HydrophobicContact CZ-CD1 3.56Å; F30-I34 WeakPolarHBondContact O-CG1 3.31Å; F30-I34 PolarHBondContact O-N 3.42Å; F30-I34 VanDerWaalsContact O-N 3.08Å
31	A	93.4	Very high	93.8	Very high	30 Å²	30	72.2 Å²	72.2	25%	0.248	41%	0.407	C	S	.	.	H	α-helix	trans	-64.2	-48.4	175.4	0	0	0	0	0	111.5	Q27 L33 I34 I35 L90	Q27-A31 VanDerWaalsContact O-CB 3.24Å; Q27-A31 WeakPolarHBondContact O-CB 3.26Å; Q27-A31 PolarHBondContact O-N 3.19Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 2.92Å; A31-I34 PolarHBondContact O-N 3.18Å; A31-I35 HydrophobicContact CB-CD1 4.32Å; A31-I35 WeakPolarHBondContact O-CB 3.47Å; A31-I35 WeakPolarHBondContact O-CD1 3.46Å; A31-I35 VanDerWaalsContact O-CG1 3.26Å; A31-I35 WeakPolarHBondContact O-CG1 3.3Å; A31-I35 PolarHBondContact O-N 3.12Å; A31-L90 HydrophobicContact CB-CD2 3.97Å
32	A	95.1	Very high	94.4	Very high	45 Å²	45	70.6 Å²	70.6	37%	0.372	40%	0.396	S	S	.	.	H	α-helix	trans	-59.4	-39.6	178.5	0	0	0	0	0	112.6	I28 I29 G36 L90	I28-A32 WeakPolarHBondContact O-CB 3.5Å; I28-A32 PolarHBondContact O-N 2.89Å; I29-A32 PolarHBondContact O-N 3.37Å; A32-G36 PolarHBondContact O-N 2.98Å; A32-L90 HydrophobicContact CB-CD1 4.03Å
33	L	96	Very high	94.9	Very high	113 Å²	113	67.8 Å²	67.8	59%	0.592	38%	0.375	S	S	*	.	H	α-helix	trans	-65.1	-46.5	174.7	-75.2	170.6	0	0	0	112.2	I29 A31 V37	I29-L33 HydrophobicContact CG2-CD1 3.87Å; I29-L33 HydrophobicContact CG2-CG 4.47Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.47Å; I29-L33 PolarHBondContact O-N 3.13Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 2.92Å; L33-V37 WeakPolarHBondContact O-CG2 3.42Å; L33-V37 PolarHBondContact O-N 2.86Å
34	I	95.4	Very high	95.2	Very high	77 Å²	77	68.7 Å²	68.7	40%	0.395	39%	0.386	S	S	.	.	H	α-helix	trans	-61.8	-47.8	178.2	-73.7	174.3	0	0	0	110.7	F30 A31 V37 L38	F30-I34 HydrophobicContact CD1-CD1 3.88Å; F30-I34 HydrophobicContact CD2-CD1 4.46Å; F30-I34 HydrophobicContact CE1-CD1 3.45Å; F30-I34 VanDerWaalsContact CE1-CD1 3.45Å; F30-I34 HydrophobicContact CE2-CD1 4.08Å; F30-I34 HydrophobicContact CG-CD1 4.38Å; F30-I34 HydrophobicContact CZ-CD1 3.56Å; F30-I34 WeakPolarHBondContact O-CG1 3.31Å; F30-I34 PolarHBondContact O-N 3.42Å; F30-I34 VanDerWaalsContact O-N 3.08Å; A31-I34 PolarHBondContact O-N 3.18Å; I34-V37 PolarHBondContact O-N 3.03Å; I34-L38 HydrophobicContact CG2-CD1 3.61Å; I34-L38 WeakPolarHBondContact O-CD1 3.43Å; I34-L38 VanDerWaalsContact O-CG 3.3Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 2.87Å
35	I	95.3	Very high	95.2	Very high	16 Å²	16	65.6 Å²	65.6	8%	0.082	37%	0.371	C	S	.	.	H	α-helix	trans	-71.7	-36.5	-176.1	-60.1	156.4	0	0	0	111.1	A31 V37 L38 S39 Y82 S86 Y744	A31-I35 HydrophobicContact CB-CD1 4.32Å; A31-I35 WeakPolarHBondContact O-CB 3.47Å; A31-I35 WeakPolarHBondContact O-CD1 3.46Å; A31-I35 VanDerWaalsContact O-CG1 3.26Å; A31-I35 WeakPolarHBondContact O-CG1 3.3Å; A31-I35 PolarHBondContact O-N 3.12Å; I35-V37 PolarHBondContact O-N 3.42Å; I35-L38 PolarHBondContact O-N 3.31Å; I35-S39 WeakPolarHBondContact O-CB 3.39Å; I35-S39 PolarHBondContact O-N 3.34Å; I35-Y82 HydrophobicContact CG2-CD1 3.78Å; I35-Y82 HydrophobicContact CG2-CG 4.33Å; I35-S86 WeakPolarHBondContact CG2-OG 3.42Å; I35-Y744 HydrophobicContact CD1-CE1 3.8Å; I35-Y744 HydrophobicContact CD1-CE2 4.19Å; I35-Y744 WeakPolarHBondContact CD1-OH 3.42Å; I35-Y744 HydrophobicContact CG1-CE1 4.02Å; I35-Y744 HydrophobicContact CG2-CE1 4.04Å
36	G	96.4	Very high	95.4	Very high	35 Å²	35	59.6 Å²	59.6	36%	0.361	34%	0.339	S	S	.	.	H	α-helix	trans	-60	-42.7	171.1	0	0	0	0	0	112.6	A32 V40	A32-G36 PolarHBondContact O-N 2.98Å; G36-V40 WeakPolarHBondContact O-CB 3.45Å; G36-V40 VanDerWaalsContact O-CG2 3.31Å; G36-V40 WeakPolarHBondContact O-CG2 3.29Å; G36-V40 PolarHBondContact O-N 3.5Å
37	V	96.2	Very high	95.4	Very high	94 Å²	94	56.3 Å²	56.3	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-64	-42.4	173.7	169.1	0	0	0	0	111.5	L33 I34 I35 V40 V41	L33-V37 WeakPolarHBondContact O-CG2 3.42Å; L33-V37 PolarHBondContact O-N 2.86Å; I34-V37 PolarHBondContact O-N 3.03Å; I35-V37 PolarHBondContact O-N 3.42Å; V37-V40 PolarHBondContact O-N 3.15Å; V37-V41 HydrophobicContact CG1-CG2 4.35Å; V37-V41 WeakPolarHBondContact O-CB 3.44Å; V37-V41 VanDerWaalsContact O-CG2 3.27Å; V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 2.97Å
38	L	95.6	Very high	95.4	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.236	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-41.4	178.7	-71.1	160.7	0	0	0	112.5	I34 I35 T42 Y82 M748	I34-L38 HydrophobicContact CG2-CD1 3.61Å; I34-L38 WeakPolarHBondContact O-CD1 3.43Å; I34-L38 VanDerWaalsContact O-CG 3.3Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 2.87Å; I35-L38 PolarHBondContact O-N 3.31Å; L38-T42 WeakPolarHBondContact O-CB 3.4Å; L38-T42 PolarHBondContact O-N 3.5Å; L38-T42 PolarHBondContact O-OG1 2.88Å; L38-Y82 HydrophobicContact CB-CE1 4.04Å; L38-M748 HydrophobicContact CB-CE 4.45Å; L38-M748 HydrophobicContact CD1-CE 3.77Å; L38-M748 HydrophobicContact CD1-SD 4.23Å; L38-M748 HydrophobicContact CD2-CE 4.08Å; L38-M748 HydrophobicContact CD2-SD 3.85Å; L38-M748 HydrophobicContact CG-CE 4.32Å
39	S	97.2	Very high	95.4	Very high	12 Å²	12	51.5 Å²	51.5	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-57.2	-54.6	170.3	167.9	0	0	0	0	110.8	I35 V41 T42 I43 G78	I35-S39 WeakPolarHBondContact O-CB 3.39Å; I35-S39 PolarHBondContact O-N 3.34Å; S39-V41 PolarHBondContact O-N 2.85Å; S39-T42 WeakPolarHBondContact O-CB 3.35Å; S39-T42 PolarHBondContact O-N 3.34Å; S39-T42 VanDerWaalsContact O-N 3.08Å; S39-I43 VanDerWaalsContact O-CG1 3.27Å; S39-I43 WeakPolarHBondContact O-CG1 3.38Å; S39-I43 PolarHBondContact O-N 2.93Å; S39-I43 WeakPolarHBondContact OG-CD1 3.44Å; S39-G78 PolarHBondContact OG-O 2.9Å
40	V	96.7	Very high	95.4	Very high	84 Å²	84	48.6 Å²	48.6	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-42.8	-179.3	170.1	0	0	0	0	112.2	G36 V37 T42 I43 V44	G36-V40 WeakPolarHBondContact O-CB 3.45Å; G36-V40 VanDerWaalsContact O-CG2 3.31Å; G36-V40 WeakPolarHBondContact O-CG2 3.29Å; G36-V40 PolarHBondContact O-N 3.5Å; V37-V40 PolarHBondContact O-N 3.15Å; V40-T42 VanDerWaalsContact C-N 3.32Å; V40-T42 PolarHBondContact O-N 3.19Å; V40-I43 PolarHBondContact O-N 3.1Å; V40-V44 HydrophobicContact CG1-CG2 4.24Å; V40-V44 WeakPolarHBondContact O-CB 3.43Å; V40-V44 VanDerWaalsContact O-CG2 3.29Å; V40-V44 WeakPolarHBondContact O-CG2 3.48Å; V40-V44 PolarHBondContact O-N 3.13Å
41	V	95.4	Very high	95.3	Very high	64 Å²	64	44.8 Å²	44.8	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-40.3	175.5	168.4	0	0	0	0	111.3	V37 S39 G45 P751	V37-V41 HydrophobicContact CG1-CG2 4.35Å; V37-V41 WeakPolarHBondContact O-CB 3.44Å; V37-V41 VanDerWaalsContact O-CG2 3.27Å; V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 2.97Å; S39-V41 PolarHBondContact O-N 2.85Å; V41-G45 WeakPolarHBondContact O-CA 3.2Å; V41-G45 PolarHBondContact O-N 3.03Å; V41-P751 HydrophobicContact CG1-CB 4.11Å
42	T	96.4	Very high	95.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-48.2	178.2	-57.7	0	0	0	0	111.8	L38 S39 V40 N46 D74 Y82 P751	L38-T42 WeakPolarHBondContact O-CB 3.4Å; L38-T42 PolarHBondContact O-N 3.5Å; L38-T42 PolarHBondContact O-OG1 2.88Å; S39-T42 WeakPolarHBondContact O-CB 3.35Å; S39-T42 PolarHBondContact O-N 3.34Å; S39-T42 VanDerWaalsContact O-N 3.08Å; V40-T42 VanDerWaalsContact C-N 3.32Å; V40-T42 PolarHBondContact O-N 3.19Å; T42-N46 WeakPolarHBondContact O-CB 3.4Å; T42-N46 PolarHBondContact O-N 3Å; T42-N46 VanDerWaalsContact O-N 3.11Å; T42-N46 PolarHBondContact O-ND2 3.31Å; T42-D74 WeakPolarHBondContact CG2-O 3.36Å; T42-Y82 HydrophobicContact CG2-CE2 4.21Å; T42-Y82 WeakPolarHBondContact OG1-CE2 3.28Å; T42-P751 WeakPolarHBondContact OG1-CB 3.35Å; T42-P751 WeakPolarHBondContact OG1-CD 3.37Å
43	I	97.6	Very high	95.1	Very high	37 Å²	37	41.9 Å²	41.9	19%	0.19	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-57.5	177.5	-66.4	163.2	0	0	0	109.8	S39 V40 G45 L47 F75 G78 L79	S39-I43 VanDerWaalsContact O-CG1 3.27Å; S39-I43 WeakPolarHBondContact O-CG1 3.38Å; S39-I43 PolarHBondContact O-N 2.93Å; S39-I43 WeakPolarHBondContact OG-CD1 3.44Å; V40-I43 PolarHBondContact O-N 3.1Å; I43-G45 PolarHBondContact O-N 2.89Å; I43-L47 WeakPolarHBondContact O-CB 3.35Å; I43-L47 PolarHBondContact O-N 3.49Å; I43-F75 HydrophobicContact CG2-CD2 4.14Å; I43-F75 HydrophobicContact CG2-CE2 3.77Å; I43-G78 WeakPolarHBondContact CD1-O 3.48Å; I43-L79 HydrophobicContact CD1-CD2 3.85Å; I43-L79 HydrophobicContact CD1-CG 4.49Å; I43-L79 HydrophobicContact CG1-CD2 4.12Å; I43-L79 HydrophobicContact CG1-CG 4.33Å
44	V	95.5	Very high	94.9	Very high	75 Å²	75	43.1 Å²	43.1	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-45.4	-175.5	174.2	0	0	0	0	110.9	V40 N46 L47 M48	V40-V44 HydrophobicContact CG1-CG2 4.24Å; V40-V44 WeakPolarHBondContact O-CB 3.43Å; V40-V44 VanDerWaalsContact O-CG2 3.29Å; V40-V44 WeakPolarHBondContact O-CG2 3.48Å; V40-V44 PolarHBondContact O-N 3.13Å; V44-N46 PolarHBondContact O-N 3.38Å; V44-L47 PolarHBondContact O-N 3.45Å; V44-M48 HydrophobicContact CG1-SD 4.49Å; V44-M48 WeakPolarHBondContact O-CG 3.22Å; V44-M48 PolarHBondContact O-N 3.4Å
45	G	94.1	Very high	94.7	Very high	16 Å²	16	39.9 Å²	39.9	17%	0.165	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-48.3	-178.4	0	0	0	0	0	112.8	V41 I43 M48 V49 P754	V41-G45 WeakPolarHBondContact O-CA 3.2Å; V41-G45 PolarHBondContact O-N 3.03Å; I43-G45 PolarHBondContact O-N 2.89Å; G45-M48 PolarHBondContact O-N 2.78Å; G45-V49 PolarHBondContact O-N 2.77Å; G45-P754 WeakPolarHBondContact O-CG 3.29Å
46	N	95.3	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-77.1	-31.7	-178.7	-70.5	-62.2	0	0	0	112.6	T42 V44 M48 V49 M50 A71 D74 F75 S750 P754	T42-N46 WeakPolarHBondContact O-CB 3.4Å; T42-N46 PolarHBondContact O-N 3Å; T42-N46 VanDerWaalsContact O-N 3.11Å; T42-N46 PolarHBondContact O-ND2 3.31Å; V44-N46 PolarHBondContact O-N 3.38Å; N46-M48 VanDerWaalsContact C-N 3.32Å; N46-M48 PolarHBondContact O-N 3.45Å; N46-V49 WeakPolarHBondContact O-CB 2.99Å; N46-V49 PolarHBondContact O-N 3.46Å; N46-V49 VanDerWaalsContact O-N 3.1Å; N46-M50 PolarHBondContact O-N 3.49Å; N46-A71 HydrophobicContact CB-CB 4.28Å; N46-D74 HydrophobicContact CB-CB 4.42Å; N46-D74 WeakPolarHBondContact ND2-CB 3.46Å; N46-F75 HydrophobicContact CB-CB 4.19Å; N46-S750 PolarHBondContact ND2-O 3.36Å; N46-P754 WeakPolarHBondContact OD1-CD 3.18Å; N46-P754 WeakPolarHBondContact OD1-CG 3.48Å
47	L	95.3	Very high	94.1	Very high	69 Å²	69	43.5 Å²	43.5	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-40.7	167.9	-177.9	59.9	0	0	0	111.8	I43 V44 V49 M50 I51 F75	I43-L47 WeakPolarHBondContact O-CB 3.35Å; I43-L47 PolarHBondContact O-N 3.49Å; V44-L47 PolarHBondContact O-N 3.45Å; L47-V49 VanDerWaalsContact C-N 3.31Å; L47-V49 PolarHBondContact O-N 3.09Å; L47-M50 HydrophobicContact CD1-CE 4.2Å; L47-M50 PolarHBondContact O-N 2.79Å; L47-I51 HydrophobicContact CD1-CD1 3.98Å; L47-I51 HydrophobicContact CD1-CG1 4.21Å; L47-I51 HydrophobicContact CD2-CD1 4.49Å; L47-I51 HydrophobicContact CG-CD1 3.8Å; L47-I51 HydrophobicContact CG-CG1 4.43Å; L47-I51 WeakPolarHBondContact O-CB 3.4Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 3.39Å; L47-F75 HydrophobicContact CB-CD2 4.14Å; L47-F75 HydrophobicContact CB-CE2 4.07Å; L47-F75 HydrophobicContact CD1-CE2 4.33Å; L47-F75 HydrophobicContact CD2-CE2 4.49Å
48	M	92.9	Very high	93.7	Very high	34 Å²	34	43.5 Å²	43.5	17%	0.167	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-31.6	173.8	-71.2	-169.4	88.2	0	0	113.1	V44 G45 N46 S52 L768 M771 L772	V44-M48 HydrophobicContact CG1-SD 4.49Å; V44-M48 WeakPolarHBondContact O-CG 3.22Å; V44-M48 PolarHBondContact O-N 3.4Å; G45-M48 PolarHBondContact O-N 2.78Å; N46-M48 VanDerWaalsContact C-N 3.32Å; N46-M48 PolarHBondContact O-N 3.45Å; M48-S52 WeakPolarHBondContact O-CB 3.36Å; M48-S52 PolarHBondContact O-N 3.16Å; M48-S52 PolarHBondContact O-OG 2.91Å; M48-L768 HydrophobicContact CB-CD1 3.78Å; M48-L768 HydrophobicContact CE-CD1 3.88Å; M48-L768 HydrophobicContact SD-CD1 4.13Å; M48-M771 HydrophobicContact CB-CE 4.14Å; M48-M771 HydrophobicContact CE-CB 3.83Å; M48-M771 HydrophobicContact CE-CE 4Å; M48-M771 HydrophobicContact CG-CE 4.32Å; M48-M771 WeakPolarHBondContact O-CE 3.47Å; M48-L772 HydrophobicContact CE-CD2 3.81Å; M48-L772 HydrophobicContact CE-CG 3.94Å; M48-L772 HydrophobicContact SD-CD2 4.14Å
49	V	93.6	Very high	93.3	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-45.4	173.2	175.7	0	0	0	0	110.8	G45 N46 L47 S52 F53 I67 A71 P754 Y757 F764	G45-V49 PolarHBondContact O-N 2.77Å; N46-V49 WeakPolarHBondContact O-CB 2.99Å; N46-V49 PolarHBondContact O-N 3.46Å; N46-V49 VanDerWaalsContact O-N 3.1Å; L47-V49 VanDerWaalsContact C-N 3.31Å; L47-V49 PolarHBondContact O-N 3.09Å; V49-S52 WeakPolarHBondContact O-CB 3.34Å; V49-S52 PolarHBondContact O-N 3.1Å; V49-F53 PolarHBondContact O-N 3.2Å; V49-I67 HydrophobicContact CG1-CG2 4.08Å; V49-A71 HydrophobicContact CB-CB 3.99Å; V49-A71 HydrophobicContact CG1-CB 3.79Å; V49-P754 HydrophobicContact CG2-CB 4.01Å; V49-P754 HydrophobicContact CG2-CG 4.14Å; V49-Y757 HydrophobicContact CG1-CD2 4.38Å; V49-Y757 HydrophobicContact CG2-CD2 4.34Å; V49-F764 HydrophobicContact CG1-CE1 4.15Å
50	M	94.7	Very high	93	Very high	28 Å²	28	44.3 Å²	44.3	14%	0.138	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-45.5	175.8	-68.3	-170	-76.9	0	0	112.2	N46 L47 S52 F53 Y54 F68 A71 V72 F75	N46-M50 PolarHBondContact O-N 3.49Å; L47-M50 HydrophobicContact CD1-CE 4.2Å; L47-M50 PolarHBondContact O-N 2.79Å; M50-S52 PolarHBondContact O-N 3.43Å; M50-F53 WeakPolarHBondContact O-CB 3.5Å; M50-F53 PolarHBondContact O-N 3Å; M50-Y54 PolarHBondContact O-N 3.41Å; M50-Y54 VanDerWaalsContact O-N 3.13Å; M50-F68 HydrophobicContact CB-CD2 4.37Å; M50-F68 HydrophobicContact CB-CE2 3.82Å; M50-F68 HydrophobicContact CG-CD2 4.15Å; M50-F68 HydrophobicContact CG-CE2 3.8Å; M50-F68 HydrophobicContact CG-CZ 4.29Å; M50-F68 HydrophobicContact SD-CE2 4.48Å; M50-F68 HydrophobicContact SD-CZ 4.39Å; M50-A71 HydrophobicContact CG-CB 3.9Å; M50-V72 HydrophobicContact SD-CB 4.46Å; M50-V72 HydrophobicContact SD-CG2 3.59Å; M50-V72 VanDerWaalsContact SD-CG2 3.59Å; M50-F75 HydrophobicContact CE-CB 3.75Å; M50-F75 HydrophobicContact CE-CD1 3.99Å; M50-F75 HydrophobicContact CE-CD2 3.77Å; M50-F75 HydrophobicContact CE-CE2 4.32Å; M50-F75 HydrophobicContact CE-CG 3.58Å
51	I	93.5	Very high	92.6	Very high	60 Å²	60	44.2 Å²	44.2	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-39.1	176.6	-67.7	170.1	0	0	0	111.1	L47 F53 Y54 I55 M771	L47-I51 HydrophobicContact CD1-CD1 3.98Å; L47-I51 HydrophobicContact CD1-CG1 4.21Å; L47-I51 HydrophobicContact CD2-CD1 4.49Å; L47-I51 HydrophobicContact CG-CD1 3.8Å; L47-I51 HydrophobicContact CG-CG1 4.43Å; L47-I51 WeakPolarHBondContact O-CB 3.4Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 3.39Å; I51-F53 VanDerWaalsContact C-N 3.25Å; I51-F53 PolarHBondContact O-N 3.17Å; I51-Y54 PolarHBondContact O-N 3.29Å; I51-Y54 VanDerWaalsContact O-N 3.08Å; I51-I55 HydrophobicContact CG2-CD1 3.51Å; I51-I55 HydrophobicContact CG2-CG1 4.05Å; I51-I55 WeakPolarHBondContact O-CB 3.46Å; I51-I55 WeakPolarHBondContact O-CG1 3.46Å; I51-I55 PolarHBondContact O-N 2.84Å; I51-M771 HydrophobicContact CB-CE 3.81Å; I51-M771 HydrophobicContact CG2-CE 3.49Å; I51-M771 VanDerWaalsContact CG2-CE 3.49Å; I51-M771 HydrophobicContact CG2-SD 4.23Å
52	S	91.8	Very high	92.4	Very high	1 Å²	1	43 Å²	43	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-40.5	174.6	-63.9	0	0	0	0	111.9	M48 V49 M50 I55 D56 M771	M48-S52 WeakPolarHBondContact O-CB 3.36Å; M48-S52 PolarHBondContact O-N 3.16Å; M48-S52 PolarHBondContact O-OG 2.91Å; V49-S52 WeakPolarHBondContact O-CB 3.34Å; V49-S52 PolarHBondContact O-N 3.1Å; M50-S52 PolarHBondContact O-N 3.43Å; S52-I55 PolarHBondContact O-N 3.12Å; S52-D56 PolarHBondContact O-N 3.33Å; S52-M771 PolarHBondContact OG-SD 2.81Å; S52-M771 VanDerWaalsContact OG-SD 3.37Å
53	F	91.6	Very high	92	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-69	-32.4	177.6	-158.7	-90.7	0	0	0	112.6	V49 M50 I51 I59 R60 N64 Y65 F68	V49-F53 PolarHBondContact O-N 3.2Å; M50-F53 WeakPolarHBondContact O-CB 3.5Å; M50-F53 PolarHBondContact O-N 3Å; I51-F53 VanDerWaalsContact C-N 3.25Å; I51-F53 PolarHBondContact O-N 3.17Å; F53-I59 HydrophobicContact CD2-CG2 3.85Å; F53-I59 HydrophobicContact CE2-CG2 4.38Å; F53-R60 HydrophobicContact CD1-CG 4.13Å; F53-R60 HydrophobicContact CE1-CB 4.27Å; F53-R60 HydrophobicContact CE1-CG 3.91Å; F53-R60 HydrophobicContact CZ-CB 4.13Å; F53-R60 HydrophobicContact CZ-CG 4.17Å; F53-R60 PolarHBondContact O-NE 3.14Å; F53-N64 HydrophobicContact CE2-CB 3.91Å; F53-N64 WeakPolarHBondContact CE2-O 3.3Å; F53-Y65 HydrophobicContact CE1-CD1 4.1Å; F53-Y65 AromaticContact CE1-CE1 3.69Å; F53-Y65 HydrophobicContact CE1-CE1 3.69Å; F53-Y65 HydrophobicContact CE1-CE2 4.18Å; F53-Y65 AromaticContact CE1-CZ 3.73Å; F53-Y65 AromaticContact CZ-CD1 3.93Å; F53-Y65 HydrophobicContact CZ-CD1 3.93Å; F53-Y65 AromaticContact CZ-CD2 3.77Å; F53-Y65 HydrophobicContact CZ-CD2 3.77Å; F53-Y65 AromaticContact CZ-CE1 3.86Å; F53-Y65 HydrophobicContact CZ-CE1 3.86Å; F53-Y65 AromaticContact CZ-CE2 3.67Å; F53-Y65 HydrophobicContact CZ-CE2 3.67Å; F53-Y65 AromaticContact CZ-CG 3.9Å; F53-Y65 HydrophobicContact CZ-CG 3.9Å; F53-Y65 AromaticContact CZ-CZ 3.71Å; F53-F68 HydrophobicContact CB-CD2 3.87Å; F53-F68 HydrophobicContact CB-CE2 4.44Å; F53-F68 AromaticContact CD1-CD2 3.87Å; F53-F68 HydrophobicContact CD1-CD2 3.87Å; F53-F68 HydrophobicContact CD1-CE2 4.45Å; F53-F68 HydrophobicContact CD1-CG 4.39Å; F53-F68 HydrophobicContact CD2-CB 4.39Å; F53-F68 HydrophobicContact CE2-CB 4.45Å; F53-F68 HydrophobicContact CG-CB 4.45Å; F53-F68 AromaticContact CG-CD2 3.87Å; F53-F68 HydrophobicContact CG-CD2 3.87Å
54	Y	91.3	Very high	91.7	Very high	139 Å²	139	42.1 Å²	42.1	55%	0.545	21%	0.209	S	C	.	.	H	α-helix	trans	-72.2	-44.8	172.7	-172.5	-87.1	0	0	0	112.3	M50 I51 R60 R778	M50-Y54 PolarHBondContact O-N 3.41Å; M50-Y54 VanDerWaalsContact O-N 3.13Å; I51-Y54 PolarHBondContact O-N 3.29Å; I51-Y54 VanDerWaalsContact O-N 3.08Å; Y54-R60 PolarHBondContact O-NH2 3.22Å; Y54-R778 PolarHBondContact OH-NH1 3.3Å
55	I	91.4	Very high	91.7	Very high	10 Å²	10	40 Å²	40	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-69.6	-44.2	-175	-73.3	178.9	0	0	0	112.2	I51 S52 T767 M771 F776 H777 R778 T779	I51-I55 HydrophobicContact CG2-CD1 3.51Å; I51-I55 HydrophobicContact CG2-CG1 4.05Å; I51-I55 WeakPolarHBondContact O-CB 3.46Å; I51-I55 WeakPolarHBondContact O-CG1 3.46Å; I51-I55 PolarHBondContact O-N 2.84Å; S52-I55 PolarHBondContact O-N 3.12Å; I55-T767 HydrophobicContact CG2-CG2 4.39Å; I55-M771 HydrophobicContact CD1-CG 4.14Å; I55-M771 HydrophobicContact CD1-SD 4.04Å; I55-F776 HydrophobicContact CD1-CB 3.93Å; I55-F776 HydrophobicContact CD1-CD1 3.83Å; I55-F776 HydrophobicContact CD1-CG 4.38Å; I55-H777 WeakPolarHBondContact CG2-O 3.37Å; I55-R778 WeakPolarHBondContact O-CG 3.24Å; I55-T779 PolarHBondContact O-N 2.97Å; I55-T779 PolarHBondContact O-OG1 3.05Å
56	D	89.7	Confident	91.7	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.059	19%	0.186	C	C	.	.			trans	-109.9	105	-170	-172	-14	0	0	0	112	S52 N58 I59 T767 T779	S52-D56 PolarHBondContact O-N 3.33Å; D56-N58 PolarHBondContact O-N 3.17Å; D56-N58 VanDerWaalsContact OD1-CB 3.26Å; D56-N58 WeakPolarHBondContact OD1-CB 3.43Å; D56-N58 PolarHBondContact OD1-N 3.45Å; D56-N58 PolarHBondContact OD1-ND2 3.43Å; D56-I59 HydrophobicContact CB-CB 4.46Å; D56-I59 HydrophobicContact CB-CD1 3.86Å; D56-I59 HydrophobicContact CB-CG1 4.02Å; D56-I59 WeakPolarHBondContact O-CB 3.44Å; D56-I59 PolarHBondContact O-N 3.4Å; D56-T767 HydrophobicContact CB-CG2 3.96Å; D56-T767 PolarHBondContact OD2-OG1 2.8Å; D56-T779 WeakPolarHBondContact CA-O 3.42Å
57	K	90.2	Very high	91.6	Very high	115 Å²	115	40.6 Å²	40.6	50%	0.5	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-60.1	-30.1	179.4	-63.2	173.6	-164	132.3	0	112.1	I59 R60 T779	K57-I59 PolarHBondContact O-N 3.41Å; K57-R60 WeakPolarHBondContact O-CB 3.41Å; K57-R60 PolarHBondContact O-N 2.95Å; K57-R60 VanDerWaalsContact O-N 3.12Å; K57-T779 WeakPolarHBondContact CB-O 3.42Å; K57-T779 VanDerWaalsContact CD-OXT 3.3Å; K57-T779 WeakPolarHBondContact CD-OXT 3.35Å; K57-T779 WeakPolarHBondContact CE-OXT 3.26Å; K57-T779 WeakPolarHBondContact CG-O 3.36Å; K57-T779 PolarHBondContact N-O 3.3Å; K57-T779 PolarHBondContact NZ-OXT 2.73Å
58	N	88.1	Confident	91.6	Very high	95 Å²	95	40.6 Å²	40.6	51%	0.508	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-69.6	-20.2	-177.4	-48.6	-82.4	0	0	0	112.4	D56 Q61	D56-N58 PolarHBondContact O-N 3.17Å; D56-N58 VanDerWaalsContact OD1-CB 3.26Å; D56-N58 WeakPolarHBondContact OD1-CB 3.43Å; D56-N58 PolarHBondContact OD1-N 3.45Å; D56-N58 PolarHBondContact OD1-ND2 3.43Å; N58-Q61 PolarHBondContact O-NE2 3.01Å
59	I	87.8	Confident	91.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-78.5	-21.3	175.6	-66.5	-177.8	0	0	0	111.8	F53 D56 K57 Q61 N64 Q763 F764 T767	F53-I59 HydrophobicContact CD2-CG2 3.85Å; F53-I59 HydrophobicContact CE2-CG2 4.38Å; D56-I59 HydrophobicContact CB-CB 4.46Å; D56-I59 HydrophobicContact CB-CD1 3.86Å; D56-I59 HydrophobicContact CB-CG1 4.02Å; D56-I59 WeakPolarHBondContact O-CB 3.44Å; D56-I59 PolarHBondContact O-N 3.4Å; K57-I59 PolarHBondContact O-N 3.41Å; I59-Q61 PolarHBondContact O-N 2.9Å; I59-N64 WeakPolarHBondContact O-CB 3.4Å; I59-N64 PolarHBondContact O-ND2 3.39Å; I59-Q763 HydrophobicContact CG1-CB 4.05Å; I59-F764 HydrophobicContact CD1-CD1 4.04Å; I59-F764 HydrophobicContact CD1-CE1 4.4Å; I59-F764 HydrophobicContact CD1-CG 4.16Å; I59-F764 HydrophobicContact CG2-CD1 4.27Å; I59-F764 HydrophobicContact CG2-CD2 4.16Å; I59-F764 HydrophobicContact CG2-CE1 3.69Å; I59-F764 HydrophobicContact CG2-CE2 3.57Å; I59-F764 HydrophobicContact CG2-CG 4.49Å; I59-F764 HydrophobicContact CG2-CZ 3.31Å; I59-T767 HydrophobicContact CD1-CG2 4.4Å
60	R	89.5	Confident	91.9	Very high	73 Å²	73	38.9 Å²	38.9	28%	0.275	18%	0.18	S	C	.	.			trans	-76.8	42.3	-171.6	-55	-177.9	-179.5	-160.5	0.4	114.9	F53 Y54 K57	F53-R60 HydrophobicContact CD1-CG 4.13Å; F53-R60 HydrophobicContact CE1-CB 4.27Å; F53-R60 HydrophobicContact CE1-CG 3.91Å; F53-R60 HydrophobicContact CZ-CB 4.13Å; F53-R60 HydrophobicContact CZ-CG 4.17Å; F53-R60 PolarHBondContact O-NE 3.14Å; Y54-R60 PolarHBondContact O-NH2 3.22Å; K57-R60 WeakPolarHBondContact O-CB 3.41Å; K57-R60 PolarHBondContact O-N 2.95Å; K57-R60 VanDerWaalsContact O-N 3.12Å
61	Q	89.3	Confident	91.9	Very high	82 Å²	82	37.5 Å²	37.5	38%	0.383	17%	0.174	S	C	.	.			trans	-76.7	148.1	175.7	-59.8	171.2	18.8	0	0	109.9	N58 I59 S63 N64	N58-Q61 PolarHBondContact O-NE2 3.01Å; I59-Q61 PolarHBondContact O-N 2.9Å; Q61-S63 VanDerWaalsContact C-N 3.33Å; Q61-S63 PolarHBondContact O-N 3.02Å; Q61-S63 VanDerWaalsContact O-N 3.14Å; Q61-N64 WeakPolarHBondContact O-CA 3.3Å; Q61-N64 WeakPolarHBondContact O-CB 3.43Å; Q61-N64 PolarHBondContact O-N 3.38Å
62	P	91.3	Very high	92.1	Very high	38 Å²	38	36.5 Å²	36.5	25%	0.247	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-49.2	-45.4	-175.5	-32.3	36.5	0	0	0	114.8	N64 Y65 R141 V146	P62-N64 PolarHBondContact O-N 3.34Å; P62-N64 VanDerWaalsContact O-N 3.15Å; P62-Y65 PolarHBondContact O-N 2.94Å; P62-R141 HydrophobicContact CB-CG 4.09Å; P62-V146 HydrophobicContact CB-CG2 4.26Å; P62-V146 WeakPolarHBondContact O-CG1 3.32Å
63	S	87.8	Confident	92.4	Very high	11 Å²	11	36.5 Å²	36.5	8%	0.077	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.8	179.1	63.1	0	0	0	0	115.1	Q61 D126 R127	Q61-S63 VanDerWaalsContact C-N 3.33Å; Q61-S63 PolarHBondContact O-N 3.02Å; Q61-S63 VanDerWaalsContact O-N 3.14Å; S63-D126 WeakPolarHBondContact CB-OD1 3.11Å; S63-R127 PolarHBondContact OG-NH2 3.36Å
64	N	91.7	Very high	92.6	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.043	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-88.9	-8.3	-178.3	-57.2	-5.5	0	0	0	111.4	F53 I59 Q61 P62 F66 I67 F68	F53-N64 HydrophobicContact CE2-CB 3.91Å; F53-N64 WeakPolarHBondContact CE2-O 3.3Å; I59-N64 WeakPolarHBondContact O-CB 3.4Å; I59-N64 PolarHBondContact O-ND2 3.39Å; Q61-N64 WeakPolarHBondContact O-CA 3.3Å; Q61-N64 WeakPolarHBondContact O-CB 3.43Å; Q61-N64 PolarHBondContact O-N 3.38Å; P62-N64 PolarHBondContact O-N 3.34Å; P62-N64 VanDerWaalsContact O-N 3.15Å; N64-F66 VanDerWaalsContact C-N 3.27Å; N64-F66 PolarHBondContact O-N 3.38Å; N64-I67 WeakPolarHBondContact O-CB 3.36Å; N64-I67 PolarHBondContact O-N 3.18Å; N64-I67 VanDerWaalsContact O-N 3.16Å; N64-F68 PolarHBondContact O-N 3.43Å; N64-F68 VanDerWaalsContact O-N 3.1Å
65	Y	95	Very high	93	Very high	30 Å²	30	31.5 Å²	31.5	12%	0.118	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-30.3	168.5	-80.8	-91.5	0	0	0	112	F53 P62 I67 F68 S69 Q143 L147 I150	F53-Y65 HydrophobicContact CE1-CD1 4.1Å; F53-Y65 AromaticContact CE1-CE1 3.69Å; F53-Y65 HydrophobicContact CE1-CE1 3.69Å; F53-Y65 HydrophobicContact CE1-CE2 4.18Å; F53-Y65 AromaticContact CE1-CZ 3.73Å; F53-Y65 AromaticContact CZ-CD1 3.93Å; F53-Y65 HydrophobicContact CZ-CD1 3.93Å; F53-Y65 AromaticContact CZ-CD2 3.77Å; F53-Y65 HydrophobicContact CZ-CD2 3.77Å; F53-Y65 AromaticContact CZ-CE1 3.86Å; F53-Y65 HydrophobicContact CZ-CE1 3.86Å; F53-Y65 AromaticContact CZ-CE2 3.67Å; F53-Y65 HydrophobicContact CZ-CE2 3.67Å; F53-Y65 AromaticContact CZ-CG 3.9Å; F53-Y65 HydrophobicContact CZ-CG 3.9Å; F53-Y65 AromaticContact CZ-CZ 3.71Å; P62-Y65 PolarHBondContact O-N 2.94Å; Y65-I67 VanDerWaalsContact C-N 3.33Å; Y65-F68 WeakPolarHBondContact O-CB 3.46Å; Y65-F68 PolarHBondContact O-N 2.87Å; Y65-S69 PolarHBondContact O-N 3.15Å; Y65-Q143 HydrophobicContact CD2-CG 4.2Å; Y65-Q143 HydrophobicContact CE1-CG 4.5Å; Y65-Q143 HydrophobicContact CE2-CG 3.69Å; Y65-Q143 PolarHBondContact OH-NE2 3.28Å; Y65-Q143 PolarHBondContact OH-OE1 3.04Å; Y65-L147 HydrophobicContact CD1-CD2 3.61Å; Y65-L147 HydrophobicContact CD1-CG 4.36Å; Y65-L147 HydrophobicContact CE1-CD2 4.03Å; Y65-L147 HydrophobicContact CG-CD2 4.38Å; Y65-I150 WeakPolarHBondContact O-CD1 3.4Å
66	F	94.6	Very high	93.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.018	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-35.4	169.8	-62.7	-63.2	0	0	0	112.4	N64 F68 S69 L70 T119 F122 I123 D126 V146 I149 I150	N64-F66 VanDerWaalsContact C-N 3.27Å; N64-F66 PolarHBondContact O-N 3.38Å; F66-F68 VanDerWaalsContact C-N 3.3Å; F66-F68 PolarHBondContact O-N 2.9Å; F66-S69 PolarHBondContact O-N 3.28Å; F66-L70 PolarHBondContact O-N 3.05Å; F66-T119 HydrophobicContact CB-CG2 4.21Å; F66-T119 WeakPolarHBondContact O-CG2 3.37Å; F66-F122 HydrophobicContact CD1-CB 4.11Å; F66-F122 HydrophobicContact CE1-CB 3.64Å; F66-F122 HydrophobicContact CE1-CG 4.38Å; F66-F122 HydrophobicContact CZ-CB 3.96Å; F66-I123 HydrophobicContact CB-CD1 4.09Å; F66-I123 HydrophobicContact CB-CG1 3.51Å; F66-I123 HydrophobicContact CG-CG1 4.22Å; F66-D126 HydrophobicContact CD2-CB 4.5Å; F66-D126 HydrophobicContact CE2-CB 4.08Å; F66-V146 HydrophobicContact CD1-CG1 4.33Å; F66-V146 HydrophobicContact CD2-CG1 4.1Å; F66-V146 HydrophobicContact CE1-CG1 3.98Å; F66-V146 HydrophobicContact CE2-CG1 3.74Å; F66-V146 HydrophobicContact CE2-CG2 4.25Å; F66-V146 HydrophobicContact CG-CG1 4.38Å; F66-V146 HydrophobicContact CZ-CB 4.48Å; F66-V146 HydrophobicContact CZ-CG1 3.68Å; F66-V146 HydrophobicContact CZ-CG2 4.37Å; F66-I149 HydrophobicContact CE1-CB 4.43Å; F66-I149 HydrophobicContact CE1-CG2 3.83Å; F66-I149 HydrophobicContact CZ-CG2 4.13Å; F66-I150 HydrophobicContact CD1-CD1 4.03Å; F66-I150 HydrophobicContact CD1-CG1 3.74Å; F66-I150 HydrophobicContact CE1-CD1 4.4Å; F66-I150 HydrophobicContact CE1-CG1 3.88Å
67	I	92.9	Very high	93.6	Very high	25 Å²	25	32.7 Å²	32.7	13%	0.128	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-38.1	173.8	-66	176	0	0	0	110.5	V49 N64 Y65 A71 Y757 F764	V49-I67 HydrophobicContact CG1-CG2 4.08Å; N64-I67 WeakPolarHBondContact O-CB 3.36Å; N64-I67 PolarHBondContact O-N 3.18Å; N64-I67 VanDerWaalsContact O-N 3.16Å; Y65-I67 VanDerWaalsContact C-N 3.33Å; I67-A71 PolarHBondContact O-N 3.12Å; I67-A71 VanDerWaalsContact O-N 3.11Å; I67-Y757 HydrophobicContact CB-CE1 4.26Å; I67-Y757 HydrophobicContact CD1-CD1 3.94Å; I67-Y757 HydrophobicContact CD1-CE1 3.83Å; I67-Y757 HydrophobicContact CG1-CD1 4.21Å; I67-Y757 HydrophobicContact CG1-CE1 3.64Å; I67-Y757 HydrophobicContact CG2-CD1 4.01Å; I67-Y757 HydrophobicContact CG2-CD2 3.84Å; I67-Y757 HydrophobicContact CG2-CE1 3.85Å; I67-Y757 HydrophobicContact CG2-CE2 3.66Å; I67-Y757 HydrophobicContact CG2-CG 4.02Å; I67-F764 HydrophobicContact CD1-CE2 4.15Å; I67-F764 HydrophobicContact CG2-CE1 4.45Å; I67-F764 HydrophobicContact CG2-CE2 4.29Å; I67-F764 HydrophobicContact CG2-CZ 3.78Å
68	F	95	Very high	94	Very high	70 Å²	70	27.2 Å²	27.2	31%	0.307	13%	0.133	S	C	.	.	H	α-helix	trans	-65.9	-44.4	172.7	-174.8	-88.5	0	0	0	112	M50 F53 N64 Y65 F66 L70 A71 V72	M50-F68 HydrophobicContact CB-CD2 4.37Å; M50-F68 HydrophobicContact CB-CE2 3.82Å; M50-F68 HydrophobicContact CG-CD2 4.15Å; M50-F68 HydrophobicContact CG-CE2 3.8Å; M50-F68 HydrophobicContact CG-CZ 4.29Å; M50-F68 HydrophobicContact SD-CE2 4.48Å; M50-F68 HydrophobicContact SD-CZ 4.39Å; F53-F68 HydrophobicContact CB-CD2 3.87Å; F53-F68 HydrophobicContact CB-CE2 4.44Å; F53-F68 AromaticContact CD1-CD2 3.87Å; F53-F68 HydrophobicContact CD1-CD2 3.87Å; F53-F68 HydrophobicContact CD1-CE2 4.45Å; F53-F68 HydrophobicContact CD1-CG 4.39Å; F53-F68 HydrophobicContact CD2-CB 4.39Å; F53-F68 HydrophobicContact CE2-CB 4.45Å; F53-F68 HydrophobicContact CG-CB 4.45Å; F53-F68 AromaticContact CG-CD2 3.87Å; F53-F68 HydrophobicContact CG-CD2 3.87Å; N64-F68 PolarHBondContact O-N 3.43Å; N64-F68 VanDerWaalsContact O-N 3.1Å; Y65-F68 WeakPolarHBondContact O-CB 3.46Å; Y65-F68 PolarHBondContact O-N 2.87Å; F66-F68 VanDerWaalsContact C-N 3.3Å; F66-F68 PolarHBondContact O-N 2.9Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.7Å; F68-A71 PolarHBondContact O-N 3.33Å; F68-V72 HydrophobicContact CD1-CG2 4.07Å; F68-V72 HydrophobicContact CE1-CG2 3.7Å; F68-V72 HydrophobicContact CZ-CG2 4.23Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 3.37Å
69	S	96.8	Very high	94.4	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-56.8	-44	175.2	-174.1	0	0	0	0	112.2	Y65 F66 V72 S73 T119 W154	Y65-S69 PolarHBondContact O-N 3.15Å; F66-S69 PolarHBondContact O-N 3.28Å; S69-V72 WeakPolarHBondContact O-CB 3.36Å; S69-V72 PolarHBondContact O-N 2.74Å; S69-S73 PolarHBondContact O-N 3.5Å; S69-S73 VanDerWaalsContact O-N 3.08Å; S69-S73 PolarHBondContact O-OG 3.07Å; S69-T119 PolarHBondContact OG-OG1 3.11Å; S69-W154 PolarHBondContact OG-NE1 2.63Å; S69-W154 VanDerWaalsContact OG-NE1 3.07Å
70	L	95.1	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-42.4	178	-154.5	76.5	0	0	0	111.4	F66 F68 V72 S73 D74 S116 T119 V120 N753 Y757	F66-L70 PolarHBondContact O-N 3.05Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.7Å; L70-V72 PolarHBondContact O-N 2.82Å; L70-S73 PolarHBondContact O-N 2.8Å; L70-S73 PolarHBondContact O-OG 2.94Å; L70-D74 VanDerWaalsContact O-CB 3.25Å; L70-D74 WeakPolarHBondContact O-CB 3.41Å; L70-D74 PolarHBondContact O-N 3.05Å; L70-S116 WeakPolarHBondContact CD1-O 3.48Å; L70-S116 VanDerWaalsContact CD1-OG 3.29Å; L70-S116 WeakPolarHBondContact CD1-OG 3.34Å; L70-T119 HydrophobicContact CB-CG2 3.91Å; L70-T119 HydrophobicContact CD1-CG2 3.79Å; L70-T119 HydrophobicContact CG-CG2 4.48Å; L70-V120 HydrophobicContact CD1-CG2 3.79Å; L70-V120 HydrophobicContact CD2-CG2 4.26Å; L70-N753 HydrophobicContact CD2-CB 4.47Å; L70-N753 VanDerWaalsContact CD2-ND2 3.34Å; L70-N753 WeakPolarHBondContact CD2-ND2 3.31Å; L70-Y757 WeakPolarHBondContact CD2-OH 3.29Å
71	A	96.3	Very high	95.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-29	175.3	0	0	0	0	0	113	N46 V49 M50 I67 F68 F75	N46-A71 HydrophobicContact CB-CB 4.28Å; V49-A71 HydrophobicContact CB-CB 3.99Å; V49-A71 HydrophobicContact CG1-CB 3.79Å; M50-A71 HydrophobicContact CG-CB 3.9Å; I67-A71 PolarHBondContact O-N 3.12Å; I67-A71 VanDerWaalsContact O-N 3.11Å; F68-A71 PolarHBondContact O-N 3.33Å; A71-F75 WeakPolarHBondContact O-CB 3.36Å; A71-F75 PolarHBondContact O-N 2.71Å; A71-F75 VanDerWaalsContact O-N 3.08Å
72	V	97.6	Very high	95.4	Very high	39 Å²	39	20.8 Å²	20.8	24%	0.236	11%	0.106	C	C	.	.	H	α-helix	trans	-69.9	-47.9	172.4	173	0	0	0	0	111	M50 F68 S69 L70 F75 I76 W154	M50-V72 HydrophobicContact SD-CB 4.46Å; M50-V72 HydrophobicContact SD-CG2 3.59Å; M50-V72 VanDerWaalsContact SD-CG2 3.59Å; F68-V72 HydrophobicContact CD1-CG2 4.07Å; F68-V72 HydrophobicContact CE1-CG2 3.7Å; F68-V72 HydrophobicContact CZ-CG2 4.23Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 3.37Å; S69-V72 WeakPolarHBondContact O-CB 3.36Å; S69-V72 PolarHBondContact O-N 2.74Å; L70-V72 PolarHBondContact O-N 2.82Å; V72-F75 PolarHBondContact O-N 2.89Å; V72-I76 HydrophobicContact CG1-CD1 4.15Å; V72-I76 WeakPolarHBondContact O-CG1 3.37Å; V72-I76 PolarHBondContact O-N 3.11Å; V72-W154 HydrophobicContact CB-CZ2 4.25Å; V72-W154 HydrophobicContact CG1-CH2 4.04Å; V72-W154 HydrophobicContact CG1-CZ2 3.87Å
73	S	97.6	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-44.6	177.8	51.7	0	0	0	0	112.3	S69 L70 F75 I76 I77 V112 S116	S69-S73 PolarHBondContact O-N 3.5Å; S69-S73 VanDerWaalsContact O-N 3.08Å; S69-S73 PolarHBondContact O-OG 3.07Å; L70-S73 PolarHBondContact O-N 2.8Å; L70-S73 PolarHBondContact O-OG 2.94Å; S73-F75 VanDerWaalsContact C-N 3.3Å; S73-F75 PolarHBondContact O-N 3.26Å; S73-I76 PolarHBondContact O-N 3.05Å; S73-I76 VanDerWaalsContact O-N 3.14Å; S73-I77 PolarHBondContact O-N 3.41Å; S73-V112 WeakPolarHBondContact O-CG1 3.39Å; S73-S116 WeakPolarHBondContact OG-CB 3.45Å
74	D	96.8	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.6	-32.6	-178	-65.5	-6.5	0	0	0	111.5	T42 N46 L70 G78 S116 S750 N753	T42-D74 WeakPolarHBondContact CG2-O 3.36Å; N46-D74 HydrophobicContact CB-CB 4.42Å; N46-D74 WeakPolarHBondContact ND2-CB 3.46Å; L70-D74 VanDerWaalsContact O-CB 3.25Å; L70-D74 WeakPolarHBondContact O-CB 3.41Å; L70-D74 PolarHBondContact O-N 3.05Å; D74-G78 PolarHBondContact O-N 3.45Å; D74-S116 PolarHBondContact OD1-OG 3.26Å; D74-S750 PolarHBondContact OD1-OG 2.86Å; D74-N753 PolarHBondContact OD2-ND2 3.32Å
75	F	97.7	Very high	96.2	Very high	48 Å²	48	22.5 Å²	22.5	21%	0.211	11%	0.114	C	C	.	.	H	α-helix	trans	-66.3	-38	172	173.1	-96.4	0	0	0	112.6	I43 N46 L47 M50 A71 V72 S73 G78 L79	I43-F75 HydrophobicContact CG2-CD2 4.14Å; I43-F75 HydrophobicContact CG2-CE2 3.77Å; N46-F75 HydrophobicContact CB-CB 4.19Å; L47-F75 HydrophobicContact CB-CD2 4.14Å; L47-F75 HydrophobicContact CB-CE2 4.07Å; L47-F75 HydrophobicContact CD1-CE2 4.33Å; L47-F75 HydrophobicContact CD2-CE2 4.49Å; M50-F75 HydrophobicContact CE-CB 3.75Å; M50-F75 HydrophobicContact CE-CD1 3.99Å; M50-F75 HydrophobicContact CE-CD2 3.77Å; M50-F75 HydrophobicContact CE-CE2 4.32Å; M50-F75 HydrophobicContact CE-CG 3.58Å; A71-F75 WeakPolarHBondContact O-CB 3.36Å; A71-F75 PolarHBondContact O-N 2.71Å; A71-F75 VanDerWaalsContact O-N 3.08Å; V72-F75 PolarHBondContact O-N 2.89Å; S73-F75 VanDerWaalsContact C-N 3.3Å; S73-F75 PolarHBondContact O-N 3.26Å; F75-G78 WeakPolarHBondContact O-CA 3.5Å; F75-G78 PolarHBondContact O-N 2.92Å; F75-L79 HydrophobicContact CD1-CD1 3.97Å; F75-L79 HydrophobicContact CE1-CD1 3.41Å; F75-L79 VanDerWaalsContact CE1-CD1 3.41Å; F75-L79 HydrophobicContact CE1-CG 4.28Å; F75-L79 HydrophobicContact CZ-CD1 3.77Å; F75-L79 HydrophobicContact CZ-CG 4.36Å; F75-L79 PolarHBondContact O-N 2.85Å; F75-L79 VanDerWaalsContact O-N 3.11Å
76	I	98	Very high	96.2	Very high	44 Å²	44	21.5 Å²	21.5	23%	0.226	11%	0.112	C	C	.	.	H	α-helix	trans	-69.3	-45.1	177.4	-64.7	164.8	0	0	0	110.8	V72 S73 G78 L79 E80 V108 V112 W154	V72-I76 HydrophobicContact CG1-CD1 4.15Å; V72-I76 WeakPolarHBondContact O-CG1 3.37Å; V72-I76 PolarHBondContact O-N 3.11Å; S73-I76 PolarHBondContact O-N 3.05Å; S73-I76 VanDerWaalsContact O-N 3.14Å; I76-G78 PolarHBondContact O-N 3.23Å; I76-L79 WeakPolarHBondContact O-CA 3.26Å; I76-L79 PolarHBondContact O-N 3.42Å; I76-E80 HydrophobicContact CG2-CG 3.82Å; I76-E80 PolarHBondContact O-N 3.07Å; I76-V108 HydrophobicContact CG2-CG1 4.14Å; I76-V112 HydrophobicContact CB-CG1 4.1Å; I76-V112 HydrophobicContact CB-CG2 4.27Å; I76-V112 HydrophobicContact CD1-CG2 4.41Å; I76-V112 HydrophobicContact CG2-CG1 4.29Å; I76-V112 HydrophobicContact CG2-CG2 3.76Å; I76-W154 HydrophobicContact CD1-CH2 4.01Å; I76-W154 HydrophobicContact CD1-CZ3 4.3Å
77	I	97.3	Very high	96.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.125	C	C	.	.	I	π-helix	trans	-54.4	-38.1	170.1	-69.6	163.1	0	0	0	110.9	S73 L79 G81 Y82 V112 Y747	S73-I77 PolarHBondContact O-N 3.41Å; I77-L79 PolarHBondContact O-N 3.43Å; I77-G81 PolarHBondContact O-N 2.95Å; I77-Y82 HydrophobicContact CG2-CD2 4.33Å; I77-Y82 HydrophobicContact CG2-CE2 4.2Å; I77-Y82 WeakPolarHBondContact O-CD2 3.29Å; I77-Y82 PolarHBondContact O-N 3.09Å; I77-Y82 VanDerWaalsContact O-N 3.11Å; I77-V112 HydrophobicContact CD1-CG1 4.02Å; I77-V112 HydrophobicContact CG1-CG1 3.73Å; I77-Y747 HydrophobicContact CG2-CD1 3.49Å; I77-Y747 VanDerWaalsContact CG2-CD1 3.49Å; I77-Y747 HydrophobicContact CG2-CE1 3.98Å; I77-Y747 HydrophobicContact CG2-CG 3.82Å
78	G	97.2	Very high	96.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-55.8	-43.6	171.4	0	0	0	0	0	114.1	S39 I43 D74 F75 I76	S39-G78 PolarHBondContact OG-O 2.9Å; I43-G78 WeakPolarHBondContact CD1-O 3.48Å; D74-G78 PolarHBondContact O-N 3.45Å; F75-G78 WeakPolarHBondContact O-CA 3.5Å; F75-G78 PolarHBondContact O-N 2.92Å; I76-G78 PolarHBondContact O-N 3.23Å
79	L	97.5	Very high	96	Very high	89 Å²	89	21.4 Å²	21.4	47%	0.466	11%	0.112	S	C	.	.	I	π-helix	trans	-83.5	-44.8	-174.4	-73.4	176	0	0	0	114.4	I43 F75 I76 I77 P83	I43-L79 HydrophobicContact CD1-CD2 3.85Å; I43-L79 HydrophobicContact CD1-CG 4.49Å; I43-L79 HydrophobicContact CG1-CD2 4.12Å; I43-L79 HydrophobicContact CG1-CG 4.33Å; F75-L79 HydrophobicContact CD1-CD1 3.97Å; F75-L79 HydrophobicContact CE1-CD1 3.41Å; F75-L79 VanDerWaalsContact CE1-CD1 3.41Å; F75-L79 HydrophobicContact CE1-CG 4.28Å; F75-L79 HydrophobicContact CZ-CD1 3.77Å; F75-L79 HydrophobicContact CZ-CG 4.36Å; F75-L79 PolarHBondContact O-N 2.85Å; F75-L79 VanDerWaalsContact O-N 3.11Å; I76-L79 WeakPolarHBondContact O-CA 3.26Å; I76-L79 PolarHBondContact O-N 3.42Å; I77-L79 PolarHBondContact O-N 3.43Å; L79-P83 WeakPolarHBondContact O-CD 3.15Å; L79-P83 WeakPolarHBondContact O-CG 3.14Å
80	E	95.5	Very high	95.8	Very high	26 Å²	26	22.4 Å²	22.4	12%	0.121	12%	0.117	C	C	.	.	I	π-helix	trans	-112.5	-45.6	-173.7	58.3	68.5	-143.6	0	0	113.3	I76 Y82 P83 L84 V108	I76-E80 HydrophobicContact CG2-CG 3.82Å; I76-E80 PolarHBondContact O-N 3.07Å; E80-Y82 PolarHBondContact O-N 3.19Å; E80-P83 VanDerWaalsContact O-CD 3.31Å; E80-P83 WeakPolarHBondContact O-CD 3.35Å; E80-L84 HydrophobicContact CB-CD1 3.93Å; E80-L84 HydrophobicContact CB-CG 4.44Å; E80-L84 VanDerWaalsContact O-CB 3.26Å; E80-L84 WeakPolarHBondContact O-CB 3.36Å; E80-L84 VanDerWaalsContact O-CG 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 3.39Å; E80-V108 HydrophobicContact CG-CG1 4.13Å
81	G	95.7	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-58.2	-52.4	-175.4	0	0	0	0	0	112.5	I77 Y85 Y747	I77-G81 PolarHBondContact O-N 2.95Å; G81-Y85 WeakPolarHBondContact O-CB 3.39Å; G81-Y85 PolarHBondContact O-N 2.75Å; G81-Y747 VanDerWaalsContact CA-OH 3.23Å; G81-Y747 WeakPolarHBondContact CA-OH 3.33Å; G81-Y747 VanDerWaalsContact O-CE2 3.31Å; G81-Y747 WeakPolarHBondContact O-CE2 3.22Å; G81-Y747 PolarHBondContact O-OH 2.67Å
82	Y	96	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-53.2	177.1	-73.9	-75	0	0	0	113.5	I35 L38 T42 I77 E80 S86 Y744 Y747 M748	I35-Y82 HydrophobicContact CG2-CD1 3.78Å; I35-Y82 HydrophobicContact CG2-CG 4.33Å; L38-Y82 HydrophobicContact CB-CE1 4.04Å; T42-Y82 HydrophobicContact CG2-CE2 4.21Å; T42-Y82 WeakPolarHBondContact OG1-CE2 3.28Å; I77-Y82 HydrophobicContact CG2-CD2 4.33Å; I77-Y82 HydrophobicContact CG2-CE2 4.2Å; I77-Y82 WeakPolarHBondContact O-CD2 3.29Å; I77-Y82 PolarHBondContact O-N 3.09Å; I77-Y82 VanDerWaalsContact O-N 3.11Å; E80-Y82 PolarHBondContact O-N 3.19Å; Y82-S86 VanDerWaalsContact O-CB 3.25Å; Y82-S86 WeakPolarHBondContact O-CB 3.24Å; Y82-S86 PolarHBondContact O-N 3.06Å; Y82-S86 PolarHBondContact O-OG 3.09Å; Y82-Y744 HydrophobicContact CD1-CD1 4.32Å; Y82-Y747 AromaticContact CD1-CD2 3.97Å; Y82-Y747 HydrophobicContact CD1-CD2 3.97Å; Y82-Y747 HydrophobicContact CE1-CD2 4.13Å; Y82-Y747 HydrophobicContact CE1-CG 4.41Å; Y82-Y747 HydrophobicContact CG-CD2 4.33Å; Y82-Y747 VanDerWaalsContact OH-C 3.31Å; Y82-Y747 PolarHBondContact OH-O 3.01Å; Y82-M748 HydrophobicContact CE1-CE 3.56Å; Y82-M748 WeakPolarHBondContact OH-CE 3.49Å
83	P	95.4	Very high	94.8	Very high	49 Å²	49	27.2 Å²	27.2	32%	0.318	14%	0.14	S	C	.	.	H	α-helix	trans	-68.6	-42.2	-176.5	-25	38.8	0	0	0	114.1	L79 E80 S86 I87	L79-P83 WeakPolarHBondContact O-CD 3.15Å; L79-P83 WeakPolarHBondContact O-CG 3.14Å; E80-P83 VanDerWaalsContact O-CD 3.31Å; E80-P83 WeakPolarHBondContact O-CD 3.35Å; P83-S86 PolarHBondContact O-N 3.49Å; P83-I87 WeakPolarHBondContact O-CG1 3.5Å; P83-I87 PolarHBondContact O-N 2.84Å
84	L	96	Very high	94.5	Very high	38 Å²	38	29 Å²	29	20%	0.199	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-45.2	-174.7	-61	-177.2	0	0	0	111.7	E80 S86 I87 Y88 W95 M97 W105	E80-L84 HydrophobicContact CB-CD1 3.93Å; E80-L84 HydrophobicContact CB-CG 4.44Å; E80-L84 VanDerWaalsContact O-CB 3.26Å; E80-L84 WeakPolarHBondContact O-CB 3.36Å; E80-L84 VanDerWaalsContact O-CG 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 3.39Å; L84-S86 PolarHBondContact O-N 3.22Å; L84-I87 PolarHBondContact O-N 3.12Å; L84-Y88 PolarHBondContact O-N 3.14Å; L84-Y88 VanDerWaalsContact O-N 3.17Å; L84-W95 HydrophobicContact CB-CH2 4.22Å; L84-W95 HydrophobicContact CB-CZ3 4.41Å; L84-W95 HydrophobicContact CD2-CH2 4.34Å; L84-M97 HydrophobicContact CD2-CE 3.58Å; L84-M97 HydrophobicContact CD2-SD 3.93Å; L84-W105 HydrophobicContact CB-CD2 3.92Å; L84-W105 HydrophobicContact CB-CG 4.02Å; L84-W105 HydrophobicContact CB-CZ2 4.49Å; L84-W105 HydrophobicContact CD1-CB 3.87Å; L84-W105 HydrophobicContact CD1-CD2 4.4Å; L84-W105 HydrophobicContact CD1-CG 3.63Å; L84-W105 HydrophobicContact CG-CG 4.48Å
85	Y	95.8	Very high	94.4	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-35.7	173.1	-168.5	-109.5	0	0	0	111.6	G81 Y88 V89 W105 V740 Y743 Y744 Y747	G81-Y85 WeakPolarHBondContact O-CB 3.39Å; G81-Y85 PolarHBondContact O-N 2.75Å; Y85-Y88 HydrophobicContact CD2-CD1 4.46Å; Y85-Y88 HydrophobicContact CE2-CD1 4.33Å; Y85-Y88 PolarHBondContact O-N 2.99Å; Y85-V89 HydrophobicContact CD1-CG2 3.96Å; Y85-V89 HydrophobicContact CE1-CG2 3.6Å; Y85-V89 HydrophobicContact CE2-CG2 4.39Å; Y85-V89 HydrophobicContact CG-CG2 4.48Å; Y85-V89 WeakPolarHBondContact O-CB 3.28Å; Y85-V89 VanDerWaalsContact O-CG2 3.29Å; Y85-V89 WeakPolarHBondContact O-CG2 3.42Å; Y85-V89 PolarHBondContact O-N 3.19Å; Y85-W105 AromaticContact CD2-CH2 3.82Å; Y85-W105 HydrophobicContact CD2-CH2 3.82Å; Y85-W105 AromaticContact CD2-CZ2 3.84Å; Y85-W105 HydrophobicContact CD2-CZ2 3.84Å; Y85-W105 HydrophobicContact CG-CZ2 4.33Å; Y85-V740 HydrophobicContact CE1-CG1 4.23Å; Y85-Y743 AromaticContact CD1-CD1 3.75Å; Y85-Y743 HydrophobicContact CD1-CD1 3.75Å; Y85-Y743 HydrophobicContact CD1-CE1 4.3Å; Y85-Y743 HydrophobicContact CD1-CG 4.48Å; Y85-Y743 AromaticContact CD2-CD1 3.67Å; Y85-Y743 HydrophobicContact CD2-CD1 3.67Å; Y85-Y743 AromaticContact CD2-CE1 3.51Å; Y85-Y743 HydrophobicContact CD2-CE1 3.51Å; Y85-Y743 HydrophobicContact CD2-CG 4.35Å; Y85-Y743 AromaticContact CE1-CD1 3.57Å; Y85-Y743 HydrophobicContact CE1-CD1 3.57Å; Y85-Y743 HydrophobicContact CE1-CE1 4.41Å; Y85-Y743 AromaticContact CE1-CG 3.84Å; Y85-Y743 HydrophobicContact CE1-CG 3.84Å; Y85-Y743 AromaticContact CE2-CD1 3.5Å; Y85-Y743 HydrophobicContact CE2-CD1 3.5Å; Y85-Y743 VanDerWaalsContact CE2-CD1 3.5Å; Y85-Y743 HydrophobicContact CE2-CD2 4.06Å; Y85-Y743 AromaticContact CE2-CE1 3.65Å; Y85-Y743 HydrophobicContact CE2-CE1 3.65Å; Y85-Y743 HydrophobicContact CE2-CE2 4.22Å; Y85-Y743 AromaticContact CE2-CG 3.71Å; Y85-Y743 HydrophobicContact CE2-CG 3.71Å; Y85-Y743 AromaticContact CG-CD1 3.82Å; Y85-Y743 HydrophobicContact CG-CD1 3.82Å; Y85-Y743 AromaticContact CG-CE1 3.89Å; Y85-Y743 HydrophobicContact CG-CE1 3.89Å; Y85-Y743 AromaticContact CZ-CD1 3.46Å; Y85-Y743 VanDerWaalsContact CZ-CD1 3.46Å; Y85-Y743 AromaticContact CZ-CG 3.43Å; Y85-Y743 VanDerWaalsContact CZ-CG 3.43Å; Y85-Y743 WeakPolarHBondContact OH-CB 3.49Å; Y85-Y744 HydrophobicContact CD1-CD1 4.25Å; Y85-Y744 HydrophobicContact CD1-CD2 4.38Å; Y85-Y744 AromaticContact CD1-CE1 3.72Å; Y85-Y744 HydrophobicContact CD1-CE1 3.72Å; Y85-Y744 AromaticContact CD1-CE2 3.86Å; Y85-Y744 HydrophobicContact CD1-CE2 3.86Å; Y85-Y744 AromaticContact CD1-CZ 3.49Å; Y85-Y744 VanDerWaalsContact CD1-CZ 3.49Å; Y85-Y744 HydrophobicContact CE1-CD2 4.06Å; Y85-Y744 HydrophobicContact CE1-CE1 4.35Å; Y85-Y744 AromaticContact CE1-CE2 3.72Å; Y85-Y744 HydrophobicContact CE1-CE2 3.72Å; Y85-Y744 AromaticContact CE1-CZ 3.87Å; Y85-Y747 HydrophobicContact CG-CE2 4.49Å
86	S	94.6	Very high	94.1	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-38.2	176.8	-58.6	0	0	0	0	113.8	I35 Y82 P83 L84 Y88 V89 L90 Y744	I35-S86 WeakPolarHBondContact CG2-OG 3.42Å; Y82-S86 VanDerWaalsContact O-CB 3.25Å; Y82-S86 WeakPolarHBondContact O-CB 3.24Å; Y82-S86 PolarHBondContact O-N 3.06Å; Y82-S86 PolarHBondContact O-OG 3.09Å; P83-S86 PolarHBondContact O-N 3.49Å; L84-S86 PolarHBondContact O-N 3.22Å; S86-Y88 VanDerWaalsContact C-N 3.34Å; S86-V89 PolarHBondContact O-N 2.94Å; S86-L90 VanDerWaalsContact O-CB 3.24Å; S86-L90 WeakPolarHBondContact O-CB 3.45Å; S86-L90 WeakPolarHBondContact O-CG 3.47Å; S86-L90 PolarHBondContact O-N 2.77Å; S86-Y744 VanDerWaalsContact CA-OH 3.3Å; S86-Y744 WeakPolarHBondContact CA-OH 3.24Å; S86-Y744 PolarHBondContact OG-OH 2.64Å
87	I	93.1	Very high	93.9	Very high	57 Å²	57	31.4 Å²	31.4	29%	0.292	17%	0.165	S	C	.	.	H	α-helix	trans	-63.6	-45.6	175.9	-70.2	164	0	0	0	109.5	P83 L84 V89 H91 M97	P83-I87 WeakPolarHBondContact O-CG1 3.5Å; P83-I87 PolarHBondContact O-N 2.84Å; L84-I87 PolarHBondContact O-N 3.12Å; I87-V89 PolarHBondContact O-N 3.13Å; I87-H91 WeakPolarHBondContact O-CB 3.11Å; I87-H91 PolarHBondContact O-CD2 3.19Å; I87-H91 VanDerWaalsContact O-CD2 3.29Å; I87-H91 PolarHBondContact O-N 3.49Å; I87-H91 VanDerWaalsContact O-N 3.08Å; I87-M97 HydrophobicContact CB-CE 4.23Å; I87-M97 HydrophobicContact CD1-CE 3.43Å; I87-M97 VanDerWaalsContact CD1-CE 3.43Å; I87-M97 HydrophobicContact CG1-CE 4.41Å; I87-M97 HydrophobicContact CG2-CE 3.95Å
88	Y	94	Very high	93.6	Very high	31 Å²	31	33 Å²	33	12%	0.122	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-44.9	174.3	176.9	-114.8	0	0	0	113.3	L84 Y85 S86 Q93 W95 C183	L84-Y88 PolarHBondContact O-N 3.14Å; L84-Y88 VanDerWaalsContact O-N 3.17Å; Y85-Y88 HydrophobicContact CD2-CD1 4.46Å; Y85-Y88 HydrophobicContact CE2-CD1 4.33Å; Y85-Y88 PolarHBondContact O-N 2.99Å; S86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-Q93 HydrophobicContact CE1-CB 4.46Å; Y88-Q93 HydrophobicContact CE2-CB 4.16Å; Y88-Q93 WeakPolarHBondContact CE2-O 3.42Å; Y88-Q93 WeakPolarHBondContact O-CA 3.03Å; Y88-Q93 PolarHBondContact O-N 3.46Å; Y88-W95 HydrophobicContact CD2-CB 4.45Å; Y88-C183 HydrophobicContact CD2-CB 4.26Å; Y88-C183 HydrophobicContact CE2-CB 4.23Å
89	V	93.1	Very high	93.4	Very high	8 Å²	8	39 Å²	39	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-50.9	178	169.3	0	0	0	0	111.7	Y23 Y85 S86 I87 H91 G92 V740 Y744	Y23-V89 WeakPolarHBondContact CE2-O 3.46Å; Y85-V89 HydrophobicContact CD1-CG2 3.96Å; Y85-V89 HydrophobicContact CE1-CG2 3.6Å; Y85-V89 HydrophobicContact CE2-CG2 4.39Å; Y85-V89 HydrophobicContact CG-CG2 4.48Å; Y85-V89 WeakPolarHBondContact O-CB 3.28Å; Y85-V89 VanDerWaalsContact O-CG2 3.29Å; Y85-V89 WeakPolarHBondContact O-CG2 3.42Å; Y85-V89 PolarHBondContact O-N 3.19Å; S86-V89 PolarHBondContact O-N 2.94Å; I87-V89 PolarHBondContact O-N 3.13Å; V89-H91 VanDerWaalsContact C-N 3.35Å; V89-H91 PolarHBondContact O-N 3.13Å; V89-G92 PolarHBondContact O-N 2.85Å; V89-V740 HydrophobicContact CG1-CG1 3.91Å; V89-V740 HydrophobicContact CG2-CG1 3.83Å; V89-V740 HydrophobicContact CG2-CG2 4.2Å; V89-Y744 HydrophobicContact CG2-CE2 4.46Å
90	L	92.2	Very high	93.2	Very high	25 Å²	25	39.7 Å²	39.7	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-72.2	-26	-171.5	-64.1	174.9	0	0	0	113.4	S21 I28 A31 A32 S86 G92	S21-L90 WeakPolarHBondContact CB-O 3.47Å; S21-L90 PolarHBondContact OG-O 3.35Å; I28-L90 HydrophobicContact CB-CD2 4.5Å; I28-L90 HydrophobicContact CG1-CD2 4.41Å; I28-L90 HydrophobicContact CG2-CB 4.46Å; I28-L90 HydrophobicContact CG2-CD1 4.39Å; I28-L90 HydrophobicContact CG2-CD2 4.35Å; A31-L90 HydrophobicContact CB-CD2 3.97Å; A32-L90 HydrophobicContact CB-CD1 4.03Å; S86-L90 VanDerWaalsContact O-CB 3.24Å; S86-L90 WeakPolarHBondContact O-CB 3.45Å; S86-L90 WeakPolarHBondContact O-CG 3.47Å; S86-L90 PolarHBondContact O-N 2.77Å; L90-G92 PolarHBondContact O-N 2.92Å
91	H	90.3	Very high	93.1	Very high	81 Å²	81	42.2 Å²	42.2	38%	0.375	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	6.8	168.7	-77.3	-112.4	0	0	0	113.5	I87 V89 K94	I87-H91 WeakPolarHBondContact O-CB 3.11Å; I87-H91 PolarHBondContact O-CD2 3.19Å; I87-H91 VanDerWaalsContact O-CD2 3.29Å; I87-H91 PolarHBondContact O-N 3.49Å; I87-H91 VanDerWaalsContact O-N 3.08Å; V89-H91 VanDerWaalsContact C-N 3.35Å; V89-H91 PolarHBondContact O-N 3.13Å; H91-K94 WeakPolarHBondContact CB-O 3.36Å; H91-K94 WeakPolarHBondContact O-CD 3.16Å
92	G	88.7	Confident	93.1	Very high	13 Å²	13	42.2 Å²	42.2	13%	0.134	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	44.5	176.3	0	0	0	0	0	113.5	V89 L90 K94	V89-G92 PolarHBondContact O-N 2.85Å; L90-G92 PolarHBondContact O-N 2.92Å; G92-K94 VanDerWaalsContact C-N 3.31Å; G92-K94 PolarHBondContact O-N 3.34Å
93	Q	89.3	Confident	93.1	Very high	45 Å²	45	42.6 Å²	42.6	21%	0.21	22%	0.218	C	C	.	.	S	Bend	trans	64.5	31.1	-177.1	-50.7	-71.7	-116.2	0	0	113.7	Y88 N736	Y88-Q93 HydrophobicContact CE1-CB 4.46Å; Y88-Q93 HydrophobicContact CE2-CB 4.16Å; Y88-Q93 WeakPolarHBondContact CE2-O 3.42Å; Y88-Q93 WeakPolarHBondContact O-CA 3.03Å; Y88-Q93 PolarHBondContact O-N 3.46Å; Q93-N736 PolarHBondContact OE1-ND2 3.22Å
94	K	91.2	Very high	93.2	Very high	38 Å²	38	42.9 Å²	42.9	17%	0.165	22%	0.217	C	C	.	.			trans	-119.3	123.1	179.5	-60.1	162.4	-159.2	165.1	0	109.5	I17 D18 W19 S20 H91 G92 H181	I17-K94 HydrophobicContact CG2-CD 4.43Å; D18-K94 PolarHBondContact O-NZ 3.34Å; W19-K94 HydrophobicContact CE3-CB 4.15Å; W19-K94 HydrophobicContact CE3-CD 4.21Å; W19-K94 HydrophobicContact CH2-CB 4.22Å; W19-K94 HydrophobicContact CZ3-CB 3.56Å; W19-K94 HydrophobicContact CZ3-CD 4.41Å; W19-K94 HydrophobicContact CZ3-CG 4.49Å; S20-K94 PolarHBondContact O-NZ 3.1Å; H91-K94 WeakPolarHBondContact CB-O 3.36Å; H91-K94 WeakPolarHBondContact O-CD 3.16Å; G92-K94 VanDerWaalsContact C-N 3.31Å; G92-K94 PolarHBondContact O-N 3.34Å; K94-H181 WeakPolarHBondContact CA-O 3.48Å
95	W	93.7	Very high	93.2	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	21%	0.209	C	C	.	.			trans	-87.7	140.4	179.7	-174.5	-107	0	0	0	111.6	L84 Y88 M97 G98 M101 C102 W105 H181 C183	L84-W95 HydrophobicContact CB-CH2 4.22Å; L84-W95 HydrophobicContact CB-CZ3 4.41Å; L84-W95 HydrophobicContact CD2-CH2 4.34Å; Y88-W95 HydrophobicContact CD2-CB 4.45Å; W95-M97 HydrophobicContact CH2-CE 4.25Å; W95-M97 HydrophobicContact CH2-CG 4.41Å; W95-M97 HydrophobicContact CH2-SD 4.07Å; W95-M97 HydrophobicContact CZ2-CB 3.77Å; W95-M97 HydrophobicContact CZ2-CG 3.95Å; W95-M97 HydrophobicContact CZ2-SD 4Å; W95-G98 PolarHBondContact NE1-O 2.87Å; W95-M101 HydrophobicContact CZ2-CB 4.01Å; W95-C102 HydrophobicContact CD2-CB 4.37Å; W95-C102 HydrophobicContact CG-CB 4.35Å; W95-C102 HydrophobicContact CZ2-CB 4.39Å; W95-W105 HydrophobicContact CE3-CE3 4.08Å; W95-W105 AromaticContact CE3-CZ3 3.95Å; W95-W105 HydrophobicContact CE3-CZ3 3.95Å; W95-W105 HydrophobicContact CH2-CB 4.44Å; W95-W105 HydrophobicContact CH2-CD2 4.03Å; W95-W105 AromaticContact CH2-CE3 3.43Å; W95-W105 HydrophobicContact CH2-CE3 3.43Å; W95-W105 VanDerWaalsContact CH2-CE3 3.43Å; W95-W105 HydrophobicContact CH2-CG 4.44Å; W95-W105 HydrophobicContact CH2-CZ3 4.09Å; W95-W105 HydrophobicContact CZ2-CE3 4.21Å; W95-W105 HydrophobicContact CZ3-CD2 4.22Å; W95-W105 AromaticContact CZ3-CE3 3.36Å; W95-W105 HydrophobicContact CZ3-CE3 3.36Å; W95-W105 HydrophobicContact CZ3-CH2 4.48Å; W95-W105 AromaticContact CZ3-CZ3 3.51Å; W95-W105 HydrophobicContact CZ3-CZ3 3.51Å; W95-H181 PolarHBondContact N-O 3.05Å; W95-C183 HydrophobicContact CB-CB 3.67Å; W95-C183 HydrophobicContact CD2-CB 4.03Å; W95-C183 HydrophobicContact CE3-CB 4.24Å; W95-C183 HydrophobicContact CG-CB 3.8Å
96	T	92.5	Very high	93.3	Very high	69 Å²	69	41.4 Å²	41.4	42%	0.423	21%	0.209	S	C	.	.			trans	-120.8	-5.1	-170.8	51.4	0	0	0	0	114.5	W19	W19-T96 HydrophobicContact CE3-CG2 4.44Å; W19-T96 HydrophobicContact CH2-CG2 4.16Å; W19-T96 HydrophobicContact CZ3-CG2 3.64Å
97	M	92.2	Very high	93.4	Very high	70 Å²	70	41 Å²	41	35%	0.345	21%	0.206	S	C	.	.	S	Bend	trans	-100.3	9.6	-174.7	-46.3	-171.3	-162.5	0	0	113.7	L84 I87 W95 M101	L84-M97 HydrophobicContact CD2-CE 3.58Å; L84-M97 HydrophobicContact CD2-SD 3.93Å; I87-M97 HydrophobicContact CB-CE 4.23Å; I87-M97 HydrophobicContact CD1-CE 3.43Å; I87-M97 VanDerWaalsContact CD1-CE 3.43Å; I87-M97 HydrophobicContact CG1-CE 4.41Å; I87-M97 HydrophobicContact CG2-CE 3.95Å; W95-M97 HydrophobicContact CH2-CE 4.25Å; W95-M97 HydrophobicContact CH2-CG 4.41Å; W95-M97 HydrophobicContact CH2-SD 4.07Å; W95-M97 HydrophobicContact CZ2-CB 3.77Å; W95-M97 HydrophobicContact CZ2-CG 3.95Å; W95-M97 HydrophobicContact CZ2-SD 4Å; M97-M101 HydrophobicContact CB-CB 3.71Å; M97-M101 HydrophobicContact CB-CG 4.03Å; M97-M101 WeakPolarHBondContact O-CB 3.13Å; M97-M101 VanDerWaalsContact O-CG 3.31Å; M97-M101 WeakPolarHBondContact O-CG 3.26Å
98	G	92.1	Very high	93.7	Very high	34 Å²	34	40.2 Å²	40.2	35%	0.351	20%	0.204	S	C	.	.			trans	75.2	164.3	-176.7	0	0	0	0	0	114.3	W95 F100 M101 C102	W95-G98 PolarHBondContact NE1-O 2.87Å; G98-F100 PolarHBondContact O-N 3.24Å; G98-M101 PolarHBondContact O-N 3.16Å; G98-C102 PolarHBondContact O-N 2.9Å
99	W	91.9	Very high	93.8	Very high	126 Å²	126	38.8 Å²	38.8	48%	0.477	20%	0.198	S	C	.	.	H	α-helix	trans	-59.6	-41.9	-169.2	69.1	-96.2	0	0	0	113.9	M101 C102 D103	W99-M101 VanDerWaalsContact C-N 3.35Å; W99-M101 PolarHBondContact O-N 3.13Å; W99-C102 WeakPolarHBondContact O-CB 3.27Å; W99-C102 PolarHBondContact O-N 3.15Å; W99-C102 VanDerWaalsContact O-N 3.13Å; W99-D103 PolarHBondContact O-N 3.14Å
100	F	93.7	Very high	94	Very high	103 Å²	103	39.1 Å²	39.1	45%	0.452	20%	0.199	S	C	.	.	H	α-helix	trans	-66.4	-36.5	-176.5	176.7	-102.1	0	0	0	112.5	G98 C102 L104 F166	G98-F100 PolarHBondContact O-N 3.24Å; F100-C102 VanDerWaalsContact C-N 3.34Å; F100-L104 HydrophobicContact CE1-CD2 4.25Å; F100-L104 WeakPolarHBondContact O-CB 3.42Å; F100-L104 PolarHBondContact O-N 2.91Å; F100-F166 AromaticContact CD2-CE1 3.89Å; F100-F166 HydrophobicContact CD2-CE1 3.89Å; F100-F166 HydrophobicContact CD2-CZ 4.47Å; F100-F166 AromaticContact CE2-CE1 3.82Å; F100-F166 HydrophobicContact CE2-CE1 3.82Å; F100-F166 HydrophobicContact CE2-CZ 4.14Å
101	M	94.7	Very high	94.3	Very high	80 Å²	80	38.3 Å²	38.3	39%	0.394	20%	0.195	S	C	.	.	H	α-helix	trans	-69.4	-32.9	174.4	-68.8	-72.9	100.4	0	0	111.9	W95 M97 G98 W99 L104 W105	W95-M101 HydrophobicContact CZ2-CB 4.01Å; M97-M101 HydrophobicContact CB-CB 3.71Å; M97-M101 HydrophobicContact CB-CG 4.03Å; M97-M101 WeakPolarHBondContact O-CB 3.13Å; M97-M101 VanDerWaalsContact O-CG 3.31Å; M97-M101 WeakPolarHBondContact O-CG 3.26Å; G98-M101 PolarHBondContact O-N 3.16Å; W99-M101 VanDerWaalsContact C-N 3.35Å; W99-M101 PolarHBondContact O-N 3.13Å; M101-L104 HydrophobicContact CE-CD2 3.81Å; M101-W105 WeakPolarHBondContact O-CB 3.28Å; M101-W105 PolarHBondContact O-N 3.28Å
102	C	95.5	Very high	94.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-55.3	172.7	171.3	0	0	0	0	111.2	W95 G98 W99 F100 L104 W105 L106 C183	W95-C102 HydrophobicContact CD2-CB 4.37Å; W95-C102 HydrophobicContact CG-CB 4.35Å; W95-C102 HydrophobicContact CZ2-CB 4.39Å; G98-C102 PolarHBondContact O-N 2.9Å; W99-C102 WeakPolarHBondContact O-CB 3.27Å; W99-C102 PolarHBondContact O-N 3.15Å; W99-C102 VanDerWaalsContact O-N 3.13Å; F100-C102 VanDerWaalsContact C-N 3.34Å; C102-L104 VanDerWaalsContact C-N 3.27Å; C102-L104 PolarHBondContact O-N 3.41Å; C102-W105 PolarHBondContact O-N 2.97Å; C102-L106 WeakPolarHBondContact O-CG 3.26Å; C102-L106 PolarHBondContact O-N 3.41Å; C102-L106 VanDerWaalsContact SG-CD1 3.55Å; C102-C183 VanDerWaalsContact CA-SG 3.55Å; C102-C183 HydrophobicContact CB-CB 3.89Å; C102-C183 WeakPolarHBondContact CB-SG 3.41Å; C102-C183 WeakPolarHBondContact SG-CA 3.42Å; C102-C183 WeakPolarHBondContact SG-CB 3.4Å; C102-C183 CovalentContact SG-SG 2.03Å; C102-C183 PolarHBondContact SG-SG 3.27Å
103	D	95.4	Very high	95	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-37.8	-177.3	-63.5	7	0	0	0	111.3	W99 S107 I165 F166 R176	W99-D103 PolarHBondContact O-N 3.14Å; D103-S107 VanDerWaalsContact O-CB 3.25Å; D103-S107 WeakPolarHBondContact O-CB 3.38Å; D103-S107 PolarHBondContact O-N 3.11Å; D103-S107 PolarHBondContact O-OG 3Å; D103-I165 HydrophobicContact CB-CG2 4.01Å; D103-F166 HydrophobicContact CB-CD1 4.15Å; D103-F166 HydrophobicContact CB-CE1 3.68Å; D103-F166 HydrophobicContact CB-CE2 4.45Å; D103-F166 HydrophobicContact CB-CZ 3.86Å; D103-R176 IonicContact OD1-CZ 2.91Å; D103-R176 IonicContact OD1-NH1 3.19Å; D103-R176 PolarHBondContact OD1-NH1 3.26Å; D103-R176 IonicContact OD1-NH2 2.74Å; D103-R176 PolarHBondContact OD1-NH2 3.11Å; D103-R176 IonicContact OD2-CZ 2.72Å; D103-R176 IonicContact OD2-NH1 3.36Å; D103-R176 PolarHBondContact OD2-NH1 3.41Å
104	L	96.6	Very high	95.3	Very high	56 Å²	56	32.6 Å²	32.6	29%	0.293	17%	0.166	S	C	.	.	H	α-helix	trans	-66.7	-48.8	173.9	179.1	61.4	0	0	0	112.3	F100 M101 C102 S107 V108 F162 F166	F100-L104 HydrophobicContact CE1-CD2 4.25Å; F100-L104 WeakPolarHBondContact O-CB 3.42Å; F100-L104 PolarHBondContact O-N 2.91Å; M101-L104 HydrophobicContact CE-CD2 3.81Å; C102-L104 VanDerWaalsContact C-N 3.27Å; C102-L104 PolarHBondContact O-N 3.41Å; L104-S107 PolarHBondContact O-N 3.36Å; L104-V108 HydrophobicContact CD1-CG2 4.28Å; L104-V108 WeakPolarHBondContact O-CG2 3.02Å; L104-V108 PolarHBondContact O-N 3.13Å; L104-F162 HydrophobicContact CD1-CE1 4.09Å; L104-F166 HydrophobicContact CB-CZ 4.17Å
105	W	97.5	Very high	95.6	Very high	9 Å²	9	30.8 Å²	30.8	3%	0.034	16%	0.159	C	C	.	.	H	α-helix	trans	-56.7	-53.7	177.7	163.5	39.8	0	0	0	110.8	L84 Y85 W95 M101 C102 S107 V108 D109 C183	L84-W105 HydrophobicContact CB-CD2 3.92Å; L84-W105 HydrophobicContact CB-CG 4.02Å; L84-W105 HydrophobicContact CB-CZ2 4.49Å; L84-W105 HydrophobicContact CD1-CB 3.87Å; L84-W105 HydrophobicContact CD1-CD2 4.4Å; L84-W105 HydrophobicContact CD1-CG 3.63Å; L84-W105 HydrophobicContact CG-CG 4.48Å; Y85-W105 AromaticContact CD2-CH2 3.82Å; Y85-W105 HydrophobicContact CD2-CH2 3.82Å; Y85-W105 AromaticContact CD2-CZ2 3.84Å; Y85-W105 HydrophobicContact CD2-CZ2 3.84Å; Y85-W105 HydrophobicContact CG-CZ2 4.33Å; W95-W105 HydrophobicContact CE3-CE3 4.08Å; W95-W105 AromaticContact CE3-CZ3 3.95Å; W95-W105 HydrophobicContact CE3-CZ3 3.95Å; W95-W105 HydrophobicContact CH2-CB 4.44Å; W95-W105 HydrophobicContact CH2-CD2 4.03Å; W95-W105 AromaticContact CH2-CE3 3.43Å; W95-W105 HydrophobicContact CH2-CE3 3.43Å; W95-W105 VanDerWaalsContact CH2-CE3 3.43Å; W95-W105 HydrophobicContact CH2-CG 4.44Å; W95-W105 HydrophobicContact CH2-CZ3 4.09Å; W95-W105 HydrophobicContact CZ2-CE3 4.21Å; W95-W105 HydrophobicContact CZ3-CD2 4.22Å; W95-W105 AromaticContact CZ3-CE3 3.36Å; W95-W105 HydrophobicContact CZ3-CE3 3.36Å; W95-W105 HydrophobicContact CZ3-CH2 4.48Å; W95-W105 AromaticContact CZ3-CZ3 3.51Å; W95-W105 HydrophobicContact CZ3-CZ3 3.51Å; M101-W105 WeakPolarHBondContact O-CB 3.28Å; M101-W105 PolarHBondContact O-N 3.28Å; C102-W105 PolarHBondContact O-N 2.97Å; W105-S107 VanDerWaalsContact C-N 3.27Å; W105-S107 PolarHBondContact O-N 3.2Å; W105-V108 PolarHBondContact O-N 3.1Å; W105-V108 VanDerWaalsContact O-N 3.08Å; W105-D109 PolarHBondContact O-N 3.19Å; W105-C183 VanDerWaalsContact CE3-SG 3.57Å; W105-C183 HydrophobicContact CZ3-CB 4.4Å; W105-C183 WeakPolarHBondContact CZ3-SG 3.27Å
106	L	96.9	Very high	95.7	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-36.9	179.8	-64.6	171.5	0	0	0	111.8	C102 Y110 I165 A185	C102-L106 WeakPolarHBondContact O-CG 3.26Å; C102-L106 PolarHBondContact O-N 3.41Å; C102-L106 VanDerWaalsContact SG-CD1 3.55Å; L106-Y110 HydrophobicContact CD2-CE2 4.19Å; L106-Y110 WeakPolarHBondContact O-CB 3.31Å; L106-Y110 VanDerWaalsContact O-CD2 3.25Å; L106-Y110 WeakPolarHBondContact O-CD2 3.14Å; L106-Y110 PolarHBondContact O-N 3.29Å; L106-Y110 VanDerWaalsContact O-N 3.12Å; L106-I165 HydrophobicContact CB-CD1 3.97Å; L106-A185 HydrophobicContact CD1-CB 4.43Å
107	S	97.6	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-38.4	175	-61.9	0	0	0	0	112.6	D103 L104 W105 T111 F162 F166	D103-S107 VanDerWaalsContact O-CB 3.25Å; D103-S107 WeakPolarHBondContact O-CB 3.38Å; D103-S107 PolarHBondContact O-N 3.11Å; D103-S107 PolarHBondContact O-OG 3Å; L104-S107 PolarHBondContact O-N 3.36Å; W105-S107 VanDerWaalsContact C-N 3.27Å; W105-S107 PolarHBondContact O-N 3.2Å; S107-T111 WeakPolarHBondContact O-CB 3.49Å; S107-T111 PolarHBondContact O-N 2.74Å; S107-T111 PolarHBondContact O-OG1 3.36Å; S107-F162 WeakPolarHBondContact O-CE2 3.42Å; S107-F166 VanDerWaalsContact OG-CE2 3.3Å; S107-F166 WeakPolarHBondContact OG-CE2 3.45Å
108	V	97.9	Very high	96	Very high	40 Å²	40	26.5 Å²	26.5	24%	0.242	13%	0.131	C	C	.	.	H	α-helix	trans	-71	-53.4	175.5	172.4	0	0	0	0	110.8	I76 E80 L104 W105 Y110 T111 V112 F162	I76-V108 HydrophobicContact CG2-CG1 4.14Å; E80-V108 HydrophobicContact CG-CG1 4.13Å; L104-V108 HydrophobicContact CD1-CG2 4.28Å; L104-V108 WeakPolarHBondContact O-CG2 3.02Å; L104-V108 PolarHBondContact O-N 3.13Å; W105-V108 PolarHBondContact O-N 3.1Å; W105-V108 VanDerWaalsContact O-N 3.08Å; V108-Y110 PolarHBondContact O-N 3.35Å; V108-T111 WeakPolarHBondContact O-CB 3.36Å; V108-T111 PolarHBondContact O-N 3.3Å; V108-T111 VanDerWaalsContact O-N 3.13Å; V108-V112 HydrophobicContact CG1-CG2 3.94Å; V108-V112 WeakPolarHBondContact O-CB 3.44Å; V108-V112 WeakPolarHBondContact O-CG2 3.35Å; V108-V112 PolarHBondContact O-N 3.22Å; V108-F162 HydrophobicContact CG2-CZ 3.95Å
109	D	97.3	Very high	96.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-51.1	-174.5	-175.7	17.9	0	0	0	111.8	W105 T111 V112 C113 Y743 Y747	W105-D109 PolarHBondContact O-N 3.19Å; D109-T111 VanDerWaalsContact C-N 3.29Å; D109-T111 PolarHBondContact O-N 3.12Å; D109-V112 PolarHBondContact O-N 2.88Å; D109-C113 WeakPolarHBondContact O-CB 3.28Å; D109-C113 PolarHBondContact O-N 3.15Å; D109-C113 PolarHBondContact O-SG 3.36Å; D109-C113 VanDerWaalsContact O-SG 3.33Å; D109-C113 PolarHBondContact OD1-SG 3.44Å; D109-Y743 PolarHBondContact OD2-OH 3.44Å; D109-Y747 VanDerWaalsContact CG-OH 3.27Å; D109-Y747 WeakPolarHBondContact OD1-CE1 3.28Å; D109-Y747 PolarHBondContact OD1-OH 3.49Å; D109-Y747 PolarHBondContact OD2-OH 2.82Å
110	Y	96.4	Very high	96.3	Very high	15 Å²	15	18.9 Å²	18.9	6%	0.059	9%	0.092	C	C	.	.	H	α-helix	trans	-61.4	-37.4	177.2	-80.5	-112.8	0	0	0	112.1	L106 V108 L114 F161 A185 F187 M188	L106-Y110 HydrophobicContact CD2-CE2 4.19Å; L106-Y110 WeakPolarHBondContact O-CB 3.31Å; L106-Y110 VanDerWaalsContact O-CD2 3.25Å; L106-Y110 WeakPolarHBondContact O-CD2 3.14Å; L106-Y110 PolarHBondContact O-N 3.29Å; L106-Y110 VanDerWaalsContact O-N 3.12Å; V108-Y110 PolarHBondContact O-N 3.35Å; Y110-L114 WeakPolarHBondContact O-CB 3.23Å; Y110-L114 PolarHBondContact O-N 3.11Å; Y110-F161 VanDerWaalsContact C-CD2 3.49Å; Y110-F161 HydrophobicContact CD1-CD1 4.03Å; Y110-F161 AromaticContact CD1-CE1 3.69Å; Y110-F161 HydrophobicContact CD1-CE1 3.69Å; Y110-F161 HydrophobicContact CD1-CZ 4.08Å; Y110-F161 HydrophobicContact CG-CD1 4.26Å; Y110-F161 HydrophobicContact CG-CE1 4.3Å; Y110-F161 VanDerWaalsContact O-CE2 3.26Å; Y110-F161 WeakPolarHBondContact O-CE2 3.39Å; Y110-A185 HydrophobicContact CE2-CB 4.4Å; Y110-F187 HydrophobicContact CD1-CZ 4.08Å; Y110-F187 HydrophobicContact CE1-CE2 4.45Å; Y110-F187 AromaticContact CE1-CZ 3.76Å; Y110-F187 HydrophobicContact CE1-CZ 3.76Å; Y110-M188 WeakPolarHBondContact OH-CE 3.29Å; Y110-M188 PolarHBondContact OH-SD 3.23Å
111	T	97.9	Very high	96.4	Very high	9 Å²	9	15 Å²	15	6%	0.055	8%	0.076	C	C	.	.	H	α-helix	trans	-61.9	-49	174.5	-68.3	0	0	0	0	111.6	S107 V108 D109 L114 A115 P157 A158	S107-T111 WeakPolarHBondContact O-CB 3.49Å; S107-T111 PolarHBondContact O-N 2.74Å; S107-T111 PolarHBondContact O-OG1 3.36Å; V108-T111 WeakPolarHBondContact O-CB 3.36Å; V108-T111 PolarHBondContact O-N 3.3Å; V108-T111 VanDerWaalsContact O-N 3.13Å; D109-T111 VanDerWaalsContact C-N 3.29Å; D109-T111 PolarHBondContact O-N 3.12Å; T111-L114 PolarHBondContact O-N 2.95Å; T111-A115 VanDerWaalsContact O-CB 3.25Å; T111-A115 WeakPolarHBondContact O-CB 3.38Å; T111-A115 PolarHBondContact O-N 3.37Å; T111-P157 HydrophobicContact CG2-CB 4.22Å; T111-A158 HydrophobicContact CG2-CB 3.84Å; T111-A158 WeakPolarHBondContact OG1-CA 3.35Å
112	V	97.6	Very high	96.4	Very high	4 Å²	4	14 Å²	14	2%	0.024	7%	0.069	C	C	.	.	H	α-helix	trans	-70.2	-42.4	-176.2	176	0	0	0	0	110.8	S73 I76 I77 V108 D109 L114 A115 S116 W154	S73-V112 WeakPolarHBondContact O-CG1 3.39Å; I76-V112 HydrophobicContact CB-CG1 4.1Å; I76-V112 HydrophobicContact CB-CG2 4.27Å; I76-V112 HydrophobicContact CD1-CG2 4.41Å; I76-V112 HydrophobicContact CG2-CG1 4.29Å; I76-V112 HydrophobicContact CG2-CG2 3.76Å; I77-V112 HydrophobicContact CD1-CG1 4.02Å; I77-V112 HydrophobicContact CG1-CG1 3.73Å; V108-V112 HydrophobicContact CG1-CG2 3.94Å; V108-V112 WeakPolarHBondContact O-CB 3.44Å; V108-V112 WeakPolarHBondContact O-CG2 3.35Å; V108-V112 PolarHBondContact O-N 3.22Å; D109-V112 PolarHBondContact O-N 2.88Å; V112-L114 PolarHBondContact O-N 3.39Å; V112-A115 PolarHBondContact O-N 3.24Å; V112-S116 WeakPolarHBondContact O-CB 3.33Å; V112-S116 PolarHBondContact O-N 3.41Å; V112-W154 HydrophobicContact CG2-CH2 4.48Å; V112-W154 HydrophobicContact CG2-CZ3 4.07Å
113	C	96.3	Very high	96.3	Very high	12 Å²	12	14.8 Å²	14.8	8%	0.081	7%	0.073	C	C	.	.	H	α-helix	trans	-57.5	-45.5	173.6	-80.4	0	0	0	0	112.4	D109 T117 W717	D109-C113 WeakPolarHBondContact O-CB 3.28Å; D109-C113 PolarHBondContact O-N 3.15Å; D109-C113 PolarHBondContact O-SG 3.36Å; D109-C113 VanDerWaalsContact O-SG 3.33Å; D109-C113 PolarHBondContact OD1-SG 3.44Å; C113-T117 WeakPolarHBondContact O-CB 3.14Å; C113-T117 PolarHBondContact O-N 2.79Å; C113-T117 PolarHBondContact O-OG1 3.49Å; C113-W717 HydrophobicContact CB-CH2 3.55Å; C113-W717 HydrophobicContact CB-CZ3 3.98Å
114	L	96.3	Very high	96.3	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.016	7%	0.072	C	C	.	.	H	α-helix	trans	-76	-34.4	177.8	-175.5	58.2	0	0	0	112.6	Y110 T111 V112 S116 T117 Y118 P157 L160 F161 Y201	Y110-L114 WeakPolarHBondContact O-CB 3.23Å; Y110-L114 PolarHBondContact O-N 3.11Å; T111-L114 PolarHBondContact O-N 2.95Å; V112-L114 PolarHBondContact O-N 3.39Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 2.85Å; L114-T117 HydrophobicContact CD1-CG2 4.23Å; L114-T117 WeakPolarHBondContact O-CB 3.41Å; L114-T117 PolarHBondContact O-N 2.87Å; L114-Y118 HydrophobicContact CD1-CD1 4.01Å; L114-Y118 HydrophobicContact CD1-CD2 4.21Å; L114-Y118 HydrophobicContact CD1-CE1 3.72Å; L114-Y118 HydrophobicContact CD1-CE2 3.93Å; L114-Y118 HydrophobicContact CD1-CG 4.26Å; L114-Y118 HydrophobicContact CD2-CE2 3.87Å; L114-Y118 HydrophobicContact CG-CD2 4Å; L114-Y118 HydrophobicContact CG-CE1 4.45Å; L114-Y118 HydrophobicContact CG-CE2 3.75Å; L114-Y118 HydrophobicContact CG-CG 4.46Å; L114-Y118 WeakPolarHBondContact O-CB 3.42Å; L114-Y118 PolarHBondContact O-N 3.2Å; L114-P157 HydrophobicContact CB-CB 4.03Å; L114-P157 HydrophobicContact CB-CG 4.13Å; L114-P157 HydrophobicContact CD2-CB 4.02Å; L114-P157 HydrophobicContact CD2-CG 3.96Å; L114-P157 HydrophobicContact CG-CB 4.14Å; L114-P157 HydrophobicContact CG-CG 3.83Å; L114-L160 HydrophobicContact CD2-CD2 4.33Å; L114-F161 HydrophobicContact CB-CE2 3.86Å; L114-F161 HydrophobicContact CD2-CE2 3.6Å; L114-F161 HydrophobicContact CD2-CZ 4.02Å; L114-F161 HydrophobicContact CG-CE2 4.38Å; L114-Y201 HydrophobicContact CD1-CD2 3.92Å; L114-Y201 HydrophobicContact CD1-CG 4.1Å; L114-Y201 HydrophobicContact CD2-CG 4.2Å
115	A	97.4	Very high	96.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.3	-38	172.4	0	0	0	0	0	112	T111 V112 T119 W154	T111-A115 VanDerWaalsContact O-CB 3.25Å; T111-A115 WeakPolarHBondContact O-CB 3.38Å; T111-A115 PolarHBondContact O-N 3.37Å; V112-A115 PolarHBondContact O-N 3.24Å; A115-T119 VanDerWaalsContact O-CB 3.26Å; A115-T119 WeakPolarHBondContact O-CB 3.49Å; A115-T119 PolarHBondContact O-N 2.97Å; A115-T119 PolarHBondContact O-OG1 3.06Å; A115-W154 HydrophobicContact CB-CD2 3.87Å; A115-W154 HydrophobicContact CB-CE3 3.97Å; A115-W154 HydrophobicContact CB-CG 4.36Å; A115-W154 HydrophobicContact CB-CH2 4.42Å; A115-W154 HydrophobicContact CB-CZ2 4.31Å; A115-W154 HydrophobicContact CB-CZ3 4.25Å
116	S	95.3	Very high	96	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-50.3	171.1	-172.6	0	0	0	0	110.6	L70 S73 D74 V112 L114 Y118 T119 V120	L70-S116 WeakPolarHBondContact CD1-O 3.48Å; L70-S116 VanDerWaalsContact CD1-OG 3.29Å; L70-S116 WeakPolarHBondContact CD1-OG 3.34Å; S73-S116 WeakPolarHBondContact OG-CB 3.45Å; D74-S116 PolarHBondContact OD1-OG 3.26Å; V112-S116 WeakPolarHBondContact O-CB 3.33Å; V112-S116 PolarHBondContact O-N 3.41Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 2.85Å; S116-Y118 PolarHBondContact O-N 3.02Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.21Å; S116-T119 VanDerWaalsContact O-N 3.13Å; S116-V120 PolarHBondContact O-N 2.72Å
117	T	95.2	Very high	95.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56	-49.4	176.5	-67.9	0	0	0	0	113.1	C113 L114 V120 L121 T205 M209 F713	C113-T117 WeakPolarHBondContact O-CB 3.14Å; C113-T117 PolarHBondContact O-N 2.79Å; C113-T117 PolarHBondContact O-OG1 3.49Å; L114-T117 HydrophobicContact CD1-CG2 4.23Å; L114-T117 WeakPolarHBondContact O-CB 3.41Å; L114-T117 PolarHBondContact O-N 2.87Å; T117-V120 PolarHBondContact O-N 3.42Å; T117-L121 PolarHBondContact O-N 3.4Å; T117-T205 HydrophobicContact CG2-CG2 3.92Å; T117-M209 WeakPolarHBondContact O-CE 3.4Å; T117-F713 HydrophobicContact CG2-CE2 4.01Å; T117-F713 HydrophobicContact CG2-CZ 3.76Å
118	Y	96.4	Very high	95.6	Very high	52 Å²	52	18.9 Å²	18.9	20%	0.204	9%	0.088	C	C	.	.	H	α-helix	trans	-68.8	-31.7	176.6	-72.1	-19.8	0	0	0	112.5	L114 S116 V120 L121 F122 P157	L114-Y118 HydrophobicContact CD1-CD1 4.01Å; L114-Y118 HydrophobicContact CD1-CD2 4.21Å; L114-Y118 HydrophobicContact CD1-CE1 3.72Å; L114-Y118 HydrophobicContact CD1-CE2 3.93Å; L114-Y118 HydrophobicContact CD1-CG 4.26Å; L114-Y118 HydrophobicContact CD2-CE2 3.87Å; L114-Y118 HydrophobicContact CG-CD2 4Å; L114-Y118 HydrophobicContact CG-CE1 4.45Å; L114-Y118 HydrophobicContact CG-CE2 3.75Å; L114-Y118 HydrophobicContact CG-CG 4.46Å; L114-Y118 WeakPolarHBondContact O-CB 3.42Å; L114-Y118 PolarHBondContact O-N 3.2Å; S116-Y118 PolarHBondContact O-N 3.02Å; Y118-V120 VanDerWaalsContact C-N 3.34Å; Y118-V120 PolarHBondContact O-N 3.2Å; Y118-L121 HydrophobicContact CD1-CD2 4.36Å; Y118-L121 WeakPolarHBondContact O-CB 3.44Å; Y118-L121 PolarHBondContact O-N 3.41Å; Y118-F122 WeakPolarHBondContact O-CD2 3.22Å; Y118-F122 PolarHBondContact O-N 3.27Å; Y118-P157 HydrophobicContact CD2-CG 3.99Å; Y118-P157 HydrophobicContact CE2-CG 4.15Å
119	T	96	Very high	95.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-41.9	171.1	-63.4	0	0	0	0	111	F66 S69 L70 A115 S116 L121 F122 I123	F66-T119 HydrophobicContact CB-CG2 4.21Å; F66-T119 WeakPolarHBondContact O-CG2 3.37Å; S69-T119 PolarHBondContact OG-OG1 3.11Å; L70-T119 HydrophobicContact CB-CG2 3.91Å; L70-T119 HydrophobicContact CD1-CG2 3.79Å; L70-T119 HydrophobicContact CG-CG2 4.48Å; A115-T119 VanDerWaalsContact O-CB 3.26Å; A115-T119 WeakPolarHBondContact O-CB 3.49Å; A115-T119 PolarHBondContact O-N 2.97Å; A115-T119 PolarHBondContact O-OG1 3.06Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.21Å; S116-T119 VanDerWaalsContact O-N 3.13Å; T119-L121 VanDerWaalsContact C-N 3.34Å; T119-L121 PolarHBondContact O-N 3.11Å; T119-F122 PolarHBondContact O-N 3.2Å; T119-I123 HydrophobicContact CG2-CD1 4.17Å; T119-I123 VanDerWaalsContact O-CG1 3.27Å; T119-I123 WeakPolarHBondContact O-CG1 3.35Å; T119-I123 PolarHBondContact O-N 3.42Å
120	V	94	Very high	95.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-64.5	-36.2	173.4	-179.7	0	0	0	0	112	L70 S116 T117 Y118 T124 M209 I709 L710 F713	L70-V120 HydrophobicContact CD1-CG2 3.79Å; L70-V120 HydrophobicContact CD2-CG2 4.26Å; S116-V120 PolarHBondContact O-N 2.72Å; T117-V120 PolarHBondContact O-N 3.42Å; Y118-V120 VanDerWaalsContact C-N 3.34Å; Y118-V120 PolarHBondContact O-N 3.2Å; V120-T124 PolarHBondContact O-N 2.88Å; V120-T124 PolarHBondContact O-OG1 2.96Å; V120-M209 HydrophobicContact CB-CE 3.83Å; V120-M209 HydrophobicContact CG1-CE 3.71Å; V120-M209 HydrophobicContact CG1-SD 4.38Å; V120-I709 HydrophobicContact CG1-CG2 4.05Å; V120-I709 HydrophobicContact CG2-CG2 4.47Å; V120-L710 HydrophobicContact CG1-CD2 3.91Å; V120-F713 HydrophobicContact CG1-CG 4.48Å
121	L	95.8	Very high	94.7	Very high	21 Å²	21	20.8 Å²	20.8	11%	0.11	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-49.2	174.1	175.9	62.5	0	0	0	111	T117 Y118 T119 I123 T124 I125 T205 V208 M209 L212	T117-L121 PolarHBondContact O-N 3.4Å; Y118-L121 HydrophobicContact CD1-CD2 4.36Å; Y118-L121 WeakPolarHBondContact O-CB 3.44Å; Y118-L121 PolarHBondContact O-N 3.41Å; T119-L121 VanDerWaalsContact C-N 3.34Å; T119-L121 PolarHBondContact O-N 3.11Å; L121-I123 PolarHBondContact O-N 3.42Å; L121-T124 CarbonylContact O-C 3.37Å; L121-T124 WeakPolarHBondContact O-CA 3.24Å; L121-T124 WeakPolarHBondContact O-CB 3.15Å; L121-T124 PolarHBondContact O-N 2.94Å; L121-I125 HydrophobicContact CD1-CD1 4.22Å; L121-I125 HydrophobicContact CD1-CG1 4.46Å; L121-I125 HydrophobicContact CG-CD1 4.01Å; L121-I125 WeakPolarHBondContact O-CG1 3.36Å; L121-I125 PolarHBondContact O-N 3.22Å; L121-T205 HydrophobicContact CB-CG2 4.22Å; L121-T205 HydrophobicContact CD2-CG2 4.2Å; L121-V208 HydrophobicContact CD1-CB 4.38Å; L121-V208 HydrophobicContact CD1-CG1 3.79Å; L121-M209 HydrophobicContact CB-CE 3.96Å; L121-M209 HydrophobicContact CD1-CG 4.06Å; L121-L212 HydrophobicContact CD1-CD1 4.18Å
122	F	96.1	Very high	94.3	Very high	58 Å²	58	26.1 Å²	26.1	25%	0.254	13%	0.126	S	C	.	.	H	α-helix	trans	-70	-30.8	179.7	-81.4	-75.1	0	0	0	113.7	F66 Y118 T119 T124 I125 D126 I149 T153	F66-F122 HydrophobicContact CD1-CB 4.11Å; F66-F122 HydrophobicContact CE1-CB 3.64Å; F66-F122 HydrophobicContact CE1-CG 4.38Å; F66-F122 HydrophobicContact CZ-CB 3.96Å; Y118-F122 WeakPolarHBondContact O-CD2 3.22Å; Y118-F122 PolarHBondContact O-N 3.27Å; T119-F122 PolarHBondContact O-N 3.2Å; F122-T124 VanDerWaalsContact C-N 3.28Å; F122-T124 PolarHBondContact O-N 3.42Å; F122-I125 HydrophobicContact CD1-CD1 3.98Å; F122-I125 HydrophobicContact CE1-CD1 4.08Å; F122-I125 PolarHBondContact O-N 3.5Å; F122-D126 WeakPolarHBondContact O-CB 3.36Å; F122-D126 PolarHBondContact O-N 3.08Å; F122-I149 HydrophobicContact CB-CG2 4.36Å; F122-I149 HydrophobicContact CD1-CG2 3.49Å; F122-I149 VanDerWaalsContact CD1-CG2 3.49Å; F122-I149 HydrophobicContact CD2-CG2 3.97Å; F122-I149 HydrophobicContact CE1-CG2 3.64Å; F122-I149 HydrophobicContact CE2-CG2 4.11Å; F122-I149 HydrophobicContact CG-CG2 3.67Å; F122-I149 HydrophobicContact CZ-CG2 3.95Å; F122-T153 HydrophobicContact CD2-CG2 3.4Å; F122-T153 HydrophobicContact CE2-CG2 3.47Å; F122-T153 VanDerWaalsContact CE2-CG2 3.47Å; F122-T153 HydrophobicContact CG-CG2 4.49Å
123	I	93.5	Very high	94	Very high	18 Å²	18	29.8 Å²	29.8	9%	0.092	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-46.5	164.5	-71.3	167.2	0	0	0	109.7	F66 T119 L121 I125 D126 R127	F66-I123 HydrophobicContact CB-CD1 4.09Å; F66-I123 HydrophobicContact CB-CG1 3.51Å; F66-I123 HydrophobicContact CG-CG1 4.22Å; T119-I123 HydrophobicContact CG2-CD1 4.17Å; T119-I123 VanDerWaalsContact O-CG1 3.27Å; T119-I123 WeakPolarHBondContact O-CG1 3.35Å; T119-I123 PolarHBondContact O-N 3.42Å; L121-I123 PolarHBondContact O-N 3.42Å; I123-I125 PolarHBondContact O-N 2.89Å; I123-D126 PolarHBondContact O-N 3.25Å; I123-R127 HydrophobicContact CG2-CG 4.39Å; I123-R127 WeakPolarHBondContact O-CB 3.33Å; I123-R127 WeakPolarHBondContact O-CG 3.38Å; I123-R127 PolarHBondContact O-N 3.01Å
124	T	94.1	Very high	93.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-39.4	-178.8	-54.1	0	0	0	0	111.9	V120 L121 F122 R127 Y128 L212 I216 L710	V120-T124 PolarHBondContact O-N 2.88Å; V120-T124 PolarHBondContact O-OG1 2.96Å; L121-T124 CarbonylContact O-C 3.37Å; L121-T124 WeakPolarHBondContact O-CA 3.24Å; L121-T124 WeakPolarHBondContact O-CB 3.15Å; L121-T124 PolarHBondContact O-N 2.94Å; F122-T124 VanDerWaalsContact C-N 3.28Å; F122-T124 PolarHBondContact O-N 3.42Å; T124-R127 PolarHBondContact O-N 3.24Å; T124-Y128 WeakPolarHBondContact O-CB 3.39Å; T124-Y128 PolarHBondContact O-N 3.41Å; T124-L212 HydrophobicContact CG2-CB 3.74Å; T124-L212 HydrophobicContact CG2-CD1 4.16Å; T124-I216 HydrophobicContact CG2-CD1 4.11Å; T124-L710 HydrophobicContact CG2-CD1 4.2Å
125	I	95.1	Very high	93.3	Very high	50 Å²	50	37.5 Å²	37.5	26%	0.256	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-50.4	173.9	-65.6	166.8	0	0	0	111.2	L121 F122 I123 R127 Y128 C129 L212	L121-I125 HydrophobicContact CD1-CD1 4.22Å; L121-I125 HydrophobicContact CD1-CG1 4.46Å; L121-I125 HydrophobicContact CG-CD1 4.01Å; L121-I125 WeakPolarHBondContact O-CG1 3.36Å; L121-I125 PolarHBondContact O-N 3.22Å; F122-I125 HydrophobicContact CD1-CD1 3.98Å; F122-I125 HydrophobicContact CE1-CD1 4.08Å; F122-I125 PolarHBondContact O-N 3.5Å; I123-I125 PolarHBondContact O-N 2.89Å; I125-R127 PolarHBondContact O-N 2.98Å; I125-Y128 PolarHBondContact O-N 3.03Å; I125-Y128 VanDerWaalsContact O-N 3.14Å; I125-C129 PolarHBondContact O-N 2.96Å; I125-C129 PolarHBondContact O-SG 3.37Å; I125-L212 HydrophobicContact CG1-CD1 3.53Å
126	D	93.7	Very high	93.1	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-41.8	177.2	163.5	98.9	0	0	0	111.6	S63 F66 F122 I123 S130 Y137 R141	S63-D126 WeakPolarHBondContact CB-OD1 3.11Å; F66-D126 HydrophobicContact CD2-CB 4.5Å; F66-D126 HydrophobicContact CE2-CB 4.08Å; F122-D126 WeakPolarHBondContact O-CB 3.36Å; F122-D126 PolarHBondContact O-N 3.08Å; I123-D126 PolarHBondContact O-N 3.25Å; D126-S130 WeakPolarHBondContact O-CB 3.29Å; D126-S130 PolarHBondContact O-N 3.22Å; D126-S130 PolarHBondContact O-OG 3.41Å; D126-Y137 WeakPolarHBondContact CA-OH 3.31Å; D126-Y137 HydrophobicContact CB-CE1 4.44Å; D126-Y137 WeakPolarHBondContact O-CE1 3.42Å; D126-Y137 PolarHBondContact OD1-OH 3.07Å; D126-R141 WeakPolarHBondContact OD1-CD 3.43Å; D126-R141 IonicContact OD1-CZ 3.73Å; D126-R141 IonicContact OD1-NE 3.83Å; D126-R141 IonicContact OD1-NH1 2.85Å; D126-R141 PolarHBondContact OD1-NH1 3.37Å; D126-R141 IonicContact OD2-NH1 2.7Å
127	R	91.8	Very high	93	Very high	60 Å²	60	43.1 Å²	43.1	23%	0.226	23%	0.225	C	C	.	.	H	α-helix	trans	-70.4	-39.3	178.3	-66.4	-67.4	95.1	151.5	2	112.2	S63 I123 T124 I125 V131 I216 I706	S63-R127 PolarHBondContact OG-NH2 3.36Å; I123-R127 HydrophobicContact CG2-CG 4.39Å; I123-R127 WeakPolarHBondContact O-CB 3.33Å; I123-R127 WeakPolarHBondContact O-CG 3.38Å; I123-R127 PolarHBondContact O-N 3.01Å; T124-R127 PolarHBondContact O-N 3.24Å; I125-R127 PolarHBondContact O-N 2.98Å; R127-V131 WeakPolarHBondContact O-CB 3.48Å; R127-V131 VanDerWaalsContact O-CG2 3.28Å; R127-V131 WeakPolarHBondContact O-CG2 3.44Å; R127-V131 PolarHBondContact O-N 3.38Å; R127-V131 VanDerWaalsContact O-N 3.11Å; R127-I216 HydrophobicContact CB-CD1 4.14Å; R127-I706 HydrophobicContact CB-CD1 3.56Å; R127-I706 HydrophobicContact CB-CG1 4.26Å; R127-I706 HydrophobicContact CG-CD1 3.58Å; R127-I706 HydrophobicContact CG-CG1 3.87Å
128	Y	93.4	Very high	92.7	Very high	47 Å²	47	49.2 Å²	49.2	18%	0.184	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-50.7	173.6	174.6	-118.3	0	0	0	111.7	T124 I125 S130 V131 K132 L212 I216	T124-Y128 WeakPolarHBondContact O-CB 3.39Å; T124-Y128 PolarHBondContact O-N 3.41Å; I125-Y128 PolarHBondContact O-N 3.03Å; I125-Y128 VanDerWaalsContact O-N 3.14Å; Y128-S130 PolarHBondContact O-N 3.06Å; Y128-V131 PolarHBondContact O-N 3.33Å; Y128-K132 HydrophobicContact CE1-CD 4.28Å; Y128-K132 HydrophobicContact CE2-CB 4.4Å; Y128-K132 HydrophobicContact CE2-CD 3.78Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 PolarHBondContact O-N 3.18Å; Y128-K132 WeakPolarHBondContact OH-CD 3.5Å; Y128-K132 PolarHBondContact OH-NZ 3.4Å; Y128-L212 HydrophobicContact CD1-CD2 3.47Å; Y128-L212 VanDerWaalsContact CD1-CD2 3.47Å; Y128-L212 HydrophobicContact CE1-CD2 3.89Å; Y128-L212 HydrophobicContact CG-CD2 3.83Å; Y128-I216 HydrophobicContact CD2-CG1 4.14Å; Y128-I216 HydrophobicContact CG-CG1 4.45Å
129	C	93.7	Very high	92.4	Very high	25 Å²	25	53 Å²	53	17%	0.169	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-42.8	178.1	-63.9	0	0	0	0	111.8	I125 V131 K132 I133 Y137	I125-C129 PolarHBondContact O-N 2.96Å; I125-C129 PolarHBondContact O-SG 3.37Å; C129-V131 PolarHBondContact O-N 2.88Å; C129-K132 PolarHBondContact O-N 2.91Å; C129-I133 HydrophobicContact CB-CG1 4.34Å; C129-I133 CarbonylContact O-C 3.34Å; C129-I133 WeakPolarHBondContact O-CG1 3.38Å; C129-I133 PolarHBondContact O-N 2.82Å; C129-Y137 HydrophobicContact CB-CD1 3.66Å; C129-Y137 HydrophobicContact CB-CD2 3.52Å; C129-Y137 HydrophobicContact CB-CE1 3.84Å; C129-Y137 HydrophobicContact CB-CE2 3.73Å; C129-Y137 HydrophobicContact CB-CG 3.5Å; C129-Y137 VanDerWaalsContact CB-CG 3.5Å
130	S	90.5	Very high	92.3	Very high	31 Å²	31	57.9 Å²	57.9	22%	0.217	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-25.3	175.6	-63.3	0	0	0	0	114.2	D126 Y128 Y137 R141	D126-S130 WeakPolarHBondContact O-CB 3.29Å; D126-S130 PolarHBondContact O-N 3.22Å; D126-S130 PolarHBondContact O-OG 3.41Å; Y128-S130 PolarHBondContact O-N 3.06Å; S130-Y137 WeakPolarHBondContact OG-CE1 3.03Å; S130-R141 PolarHBondContact OG-NH1 2.97Å
131	V	89	Confident	92.2	Very high	40 Å²	40	60.2 Å²	60.2	24%	0.242	30%	0.299	C	S	.	.	H	α-helix	trans	-94.9	-38.5	178.7	173.7	0	0	0	0	112	R127 Y128 C129 A219 A220	R127-V131 WeakPolarHBondContact O-CB 3.48Å; R127-V131 VanDerWaalsContact O-CG2 3.28Å; R127-V131 WeakPolarHBondContact O-CG2 3.44Å; R127-V131 PolarHBondContact O-N 3.38Å; R127-V131 VanDerWaalsContact O-N 3.11Å; Y128-V131 PolarHBondContact O-N 3.33Å; C129-V131 PolarHBondContact O-N 2.88Å; V131-A219 HydrophobicContact CG1-CB 3.8Å; V131-A220 HydrophobicContact CG1-CB 4.21Å
132	K	89.7	Confident	92.1	Very high	122 Å²	122	61.6 Å²	61.6	53%	0.53	31%	0.309	S	S	.	.	H	α-helix	trans	-83.3	-40.5	-175.1	-170.4	-178.9	177.6	-173.7	0	113.6	Y128 C129	Y128-K132 HydrophobicContact CE1-CD 4.28Å; Y128-K132 HydrophobicContact CE2-CB 4.4Å; Y128-K132 HydrophobicContact CE2-CD 3.78Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 PolarHBondContact O-N 3.18Å; Y128-K132 WeakPolarHBondContact OH-CD 3.5Å; Y128-K132 PolarHBondContact OH-NZ 3.4Å; C129-K132 PolarHBondContact O-N 2.91Å
133	I	90.2	Very high	92	Very high	80 Å²	80	63 Å²	63	41%	0.41	32%	0.316	S	S	.	.	S	Bend	trans	-131.6	60	-174.8	49.6	166.6	0	0	0	111.3	C129 T135 Y137	C129-I133 HydrophobicContact CB-CG1 4.34Å; C129-I133 CarbonylContact O-C 3.34Å; C129-I133 WeakPolarHBondContact O-CG1 3.38Å; C129-I133 PolarHBondContact O-N 2.82Å; I133-T135 VanDerWaalsContact C-N 3.32Å; I133-T135 PolarHBondContact O-N 2.7Å; I133-Y137 VanDerWaalsContact O-CB 3.26Å; I133-Y137 WeakPolarHBondContact O-CB 3.43Å; I133-Y137 PolarHBondContact O-N 2.77Å
134	P	89.2	Confident	92.1	Very high	76 Å²	76	68.7 Å²	68.7	49%	0.494	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-28	-164.3	24.8	-35.9	0	0	0	115.3	R138	P134-R138 WeakPolarHBondContact O-CB 3.36Å; P134-R138 PolarHBondContact O-N 3.45Å
135	T	89.2	Confident	92.2	Very high	102 Å²	102	72 Å²	72	63%	0.626	36%	0.356	S	S	*	.	H	α-helix	trans	-77	-63.1	178.4	42.7	0	0	0	0	111	I133 Y137 R138 N139	I133-T135 VanDerWaalsContact C-N 3.32Å; I133-T135 PolarHBondContact O-N 2.7Å; T135-Y137 VanDerWaalsContact C-N 3.26Å; T135-Y137 PolarHBondContact O-N 3.27Å; T135-R138 PolarHBondContact O-N 3.15Å; T135-R138 VanDerWaalsContact O-N 3.09Å; T135-N139 PolarHBondContact O-N 2.98Å; T135-N139 VanDerWaalsContact O-N 3.13Å; T135-N139 PolarHBondContact O-OD1 2.89Å
136	T	93.2	Very high	92.2	Very high	97 Å²	97	69.6 Å²	69.6	60%	0.595	34%	0.344	S	S	*	.	H	α-helix	trans	-54.6	-42.6	-179.7	-42	0	0	0	0	111.6	N139 W140	T136-N139 PolarHBondContact O-N 3.11Å; T136-W140 WeakPolarHBondContact O-CB 3.48Å; T136-W140 PolarHBondContact O-N 3.35Å
137	Y	92.9	Very high	92.4	Very high	21 Å²	21	73 Å²	73	8%	0.082	36%	0.362	C	S	.	.	H	α-helix	trans	-74.3	-31.7	179.5	-167.6	-112	0	0	0	113.9	D126 C129 S130 I133 T135 N139 W140 R141	D126-Y137 WeakPolarHBondContact CA-OH 3.31Å; D126-Y137 HydrophobicContact CB-CE1 4.44Å; D126-Y137 WeakPolarHBondContact O-CE1 3.42Å; D126-Y137 PolarHBondContact OD1-OH 3.07Å; C129-Y137 HydrophobicContact CB-CD1 3.66Å; C129-Y137 HydrophobicContact CB-CD2 3.52Å; C129-Y137 HydrophobicContact CB-CE1 3.84Å; C129-Y137 HydrophobicContact CB-CE2 3.73Å; C129-Y137 HydrophobicContact CB-CG 3.5Å; C129-Y137 VanDerWaalsContact CB-CG 3.5Å; S130-Y137 WeakPolarHBondContact OG-CE1 3.03Å; I133-Y137 VanDerWaalsContact O-CB 3.26Å; I133-Y137 WeakPolarHBondContact O-CB 3.43Å; I133-Y137 PolarHBondContact O-N 2.77Å; T135-Y137 VanDerWaalsContact C-N 3.26Å; T135-Y137 PolarHBondContact O-N 3.27Å; Y137-N139 VanDerWaalsContact C-N 3.31Å; Y137-N139 PolarHBondContact O-N 3.01Å; Y137-W140 HydrophobicContact CD2-CE3 4Å; Y137-W140 AromaticContact CE2-CE3 3.63Å; Y137-W140 HydrophobicContact CE2-CE3 3.63Å; Y137-W140 AromaticContact CE2-CZ3 3.74Å; Y137-W140 HydrophobicContact CE2-CZ3 3.74Å; Y137-R141 HydrophobicContact CE1-CB 4.35Å; Y137-R141 HydrophobicContact CE1-CG 4.46Å; Y137-R141 HydrophobicContact CE2-CB 4.46Å; Y137-R141 VanDerWaalsContact O-CB 3.22Å; Y137-R141 WeakPolarHBondContact O-CB 3.3Å; Y137-R141 PolarHBondContact O-N 3.22Å
138	R	88.7	Confident	92.7	Very high	128 Å²	128	75 Å²	75	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-42.5	172.2	179	-176.2	-176	-168.2	1.6	110.6	P134 T135 D339	P134-R138 WeakPolarHBondContact O-CB 3.36Å; P134-R138 PolarHBondContact O-N 3.45Å; T135-R138 PolarHBondContact O-N 3.15Å; T135-R138 VanDerWaalsContact O-N 3.09Å; R138-D339 IonicContact NH1-OD2 3.94Å; R138-D339 PolarHBondContact NH1-OD2 2.62Å; R138-D339 VanDerWaalsContact NH1-OD2 3.11Å
139	N	91.2	Very high	92.8	Very high	131 Å²	131	74.2 Å²	74.2	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-75.7	-35.8	-178.1	-65	14	0	0	0	111.6	T135 T136 Y137	T135-N139 PolarHBondContact O-N 2.98Å; T135-N139 VanDerWaalsContact O-N 3.13Å; T135-N139 PolarHBondContact O-OD1 2.89Å; T136-N139 PolarHBondContact O-N 3.11Å; Y137-N139 VanDerWaalsContact C-N 3.31Å; Y137-N139 PolarHBondContact O-N 3.01Å
140	W	93.3	Very high	93.1	Very high	103 Å²	103	74 Å²	74	39%	0.39	37%	0.371	S	S	.	.	H	α-helix	trans	-71.6	-37.9	178.1	179.2	95.7	0	0	0	113.7	T136 Y137 T142 K145 I149	T136-W140 WeakPolarHBondContact O-CB 3.48Å; T136-W140 PolarHBondContact O-N 3.35Å; Y137-W140 HydrophobicContact CD2-CE3 4Å; Y137-W140 AromaticContact CE2-CE3 3.63Å; Y137-W140 HydrophobicContact CE2-CE3 3.63Å; Y137-W140 AromaticContact CE2-CZ3 3.74Å; Y137-W140 HydrophobicContact CE2-CZ3 3.74Å; W140-T142 PolarHBondContact O-N 3.45Å; W140-K145 HydrophobicContact CD2-CD 4.17Å; W140-K145 HydrophobicContact CH2-CB 4.47Å; W140-K145 HydrophobicContact CH2-CD 4.35Å; W140-K145 HydrophobicContact CZ2-CD 4Å; W140-K145 VanDerWaalsContact O-CD 3.29Å; W140-K145 WeakPolarHBondContact O-CD 3.47Å; W140-K145 PolarHBondContact O-NZ 3.45Å; W140-I149 HydrophobicContact CH2-CD1 4.2Å
141	R	92.5	Very high	93.4	Very high	49 Å²	49	74.7 Å²	74.7	19%	0.185	38%	0.379	C	S	.	.			trans	-79.5	81.8	-170	-173.4	-171.2	56.7	-151.2	-15.5	113	P62 D126 S130 Y137 V146	P62-R141 HydrophobicContact CB-CG 4.09Å; D126-R141 WeakPolarHBondContact OD1-CD 3.43Å; D126-R141 IonicContact OD1-CZ 3.73Å; D126-R141 IonicContact OD1-NE 3.83Å; D126-R141 IonicContact OD1-NH1 2.85Å; D126-R141 PolarHBondContact OD1-NH1 3.37Å; D126-R141 IonicContact OD2-NH1 2.7Å; S130-R141 PolarHBondContact OG-NH1 2.97Å; Y137-R141 HydrophobicContact CE1-CB 4.35Å; Y137-R141 HydrophobicContact CE1-CG 4.46Å; Y137-R141 HydrophobicContact CE2-CB 4.46Å; Y137-R141 VanDerWaalsContact O-CB 3.22Å; Y137-R141 WeakPolarHBondContact O-CB 3.3Å; Y137-R141 PolarHBondContact O-N 3.22Å; R141-V146 HydrophobicContact CG-CG2 3.84Å
142	T	93.8	Very high	93.8	Very high	51 Å²	51	76.7 Å²	76.7	31%	0.313	39%	0.387	S	S	.	.			trans	-77.7	163.8	166.1	67.7	0	0	0	0	111.7	W140 K145 V146	W140-T142 PolarHBondContact O-N 3.45Å; T142-K145 WeakPolarHBondContact OG1-CG 3.21Å; T142-K145 PolarHBondContact OG1-N 3.41Å; T142-V146 PolarHBondContact O-N 2.73Å
143	Q	93.2	Very high	94.2	Very high	86 Å²	86	71 Å²	71	40%	0.402	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-43.6	174.7	179.8	-177.4	-54.4	0	0	111.8	Y65 K145 V146 L147	Y65-Q143 HydrophobicContact CD2-CG 4.2Å; Y65-Q143 HydrophobicContact CE1-CG 4.5Å; Y65-Q143 HydrophobicContact CE2-CG 3.69Å; Y65-Q143 PolarHBondContact OH-NE2 3.28Å; Y65-Q143 PolarHBondContact OH-OE1 3.04Å; Q143-K145 PolarHBondContact O-N 3.27Å; Q143-V146 PolarHBondContact O-N 3.36Å; Q143-V146 VanDerWaalsContact O-N 3.16Å; Q143-L147 HydrophobicContact CG-CD1 3.98Å; Q143-L147 HydrophobicContact CG-CG 4.4Å; Q143-L147 WeakPolarHBondContact O-CG 3.42Å; Q143-L147 PolarHBondContact O-N 3.44Å
144	E	95	Very high	94.6	Very high	138 Å²	138	69.9 Å²	69.9	65%	0.645	35%	0.354	S	S	*	.	H	α-helix	trans	-57.8	-47.7	-178.3	-64.8	152.1	177.7	0	0	111.9	V146 L147 I148	E144-V146 VanDerWaalsContact C-N 3.3Å; E144-V146 PolarHBondContact O-N 3.24Å; E144-L147 PolarHBondContact O-N 3.33Å; E144-L147 VanDerWaalsContact O-N 3.14Å; E144-I148 WeakPolarHBondContact O-CG1 3.43Å; E144-I148 PolarHBondContact O-N 2.62Å
145	K	96.2	Very high	95	Very high	72 Å²	72	70.8 Å²	70.8	31%	0.313	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-38	177.3	-68.9	174.2	-173.1	175.3	0	112.3	W140 T142 Q143 I148 I149	W140-K145 HydrophobicContact CD2-CD 4.17Å; W140-K145 HydrophobicContact CH2-CB 4.47Å; W140-K145 HydrophobicContact CH2-CD 4.35Å; W140-K145 HydrophobicContact CZ2-CD 4Å; W140-K145 VanDerWaalsContact O-CD 3.29Å; W140-K145 WeakPolarHBondContact O-CD 3.47Å; W140-K145 PolarHBondContact O-NZ 3.45Å; T142-K145 WeakPolarHBondContact OG1-CG 3.21Å; T142-K145 PolarHBondContact OG1-N 3.41Å; Q143-K145 PolarHBondContact O-N 3.27Å; K145-I148 PolarHBondContact O-N 3.13Å; K145-I149 VanDerWaalsContact O-CG1 3.29Å; K145-I149 WeakPolarHBondContact O-CG1 3.17Å; K145-I149 PolarHBondContact O-N 2.63Å
146	V	96.5	Very high	95.4	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.9	-39.9	175.3	174.3	0	0	0	0	111.1	P62 F66 R141 T142 Q143 E144 I149 I150	P62-V146 HydrophobicContact CB-CG2 4.26Å; P62-V146 WeakPolarHBondContact O-CG1 3.32Å; F66-V146 HydrophobicContact CD1-CG1 4.33Å; F66-V146 HydrophobicContact CD2-CG1 4.1Å; F66-V146 HydrophobicContact CE1-CG1 3.98Å; F66-V146 HydrophobicContact CE2-CG1 3.74Å; F66-V146 HydrophobicContact CE2-CG2 4.25Å; F66-V146 HydrophobicContact CG-CG1 4.38Å; F66-V146 HydrophobicContact CZ-CB 4.48Å; F66-V146 HydrophobicContact CZ-CG1 3.68Å; F66-V146 HydrophobicContact CZ-CG2 4.37Å; R141-V146 HydrophobicContact CG-CG2 3.84Å; T142-V146 PolarHBondContact O-N 2.73Å; Q143-V146 PolarHBondContact O-N 3.36Å; Q143-V146 VanDerWaalsContact O-N 3.16Å; E144-V146 VanDerWaalsContact C-N 3.3Å; E144-V146 PolarHBondContact O-N 3.24Å; V146-I149 PolarHBondContact O-N 3.01Å; V146-I150 HydrophobicContact CG1-CD1 3.82Å; V146-I150 HydrophobicContact CG1-CG1 4.46Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.37Å; V146-I150 PolarHBondContact O-N 3.3Å
147	L	96.7	Very high	95.6	Very high	74 Å²	74	66.2 Å²	66.2	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-37.5	175	-71.1	172.1	0	0	0	112.5	Y65 Q143 E144 I150 A151	Y65-L147 HydrophobicContact CD1-CD2 3.61Å; Y65-L147 HydrophobicContact CD1-CG 4.36Å; Y65-L147 HydrophobicContact CE1-CD2 4.03Å; Y65-L147 HydrophobicContact CG-CD2 4.38Å; Q143-L147 HydrophobicContact CG-CD1 3.98Å; Q143-L147 HydrophobicContact CG-CG 4.4Å; Q143-L147 WeakPolarHBondContact O-CG 3.42Å; Q143-L147 PolarHBondContact O-N 3.44Å; E144-L147 PolarHBondContact O-N 3.33Å; E144-L147 VanDerWaalsContact O-N 3.14Å; L147-I150 PolarHBondContact O-N 2.88Å; L147-A151 PolarHBondContact O-N 2.97Å
148	I	97.7	Very high	95.9	Very high	102 Å²	102	66.6 Å²	66.6	52%	0.523	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-45.9	173.5	-68.3	163.7	0	0	0	110.7	E144 K145 I150 A151 I152	E144-I148 WeakPolarHBondContact O-CG1 3.43Å; E144-I148 PolarHBondContact O-N 2.62Å; K145-I148 PolarHBondContact O-N 3.13Å; I148-I150 VanDerWaalsContact C-N 3.31Å; I148-I150 PolarHBondContact O-N 3.46Å; I148-A151 PolarHBondContact O-N 3.32Å; I148-I152 HydrophobicContact CG2-CD1 3.94Å; I148-I152 WeakPolarHBondContact O-CG1 3.34Å; I148-I152 PolarHBondContact O-N 3.32Å
149	I	97.4	Very high	96.3	Very high	31 Å²	31	65.5 Å²	65.5	16%	0.159	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-45.1	174.4	-68.4	163.6	0	0	0	110.5	F66 F122 W140 K145 V146 I152 T153	F66-I149 HydrophobicContact CE1-CB 4.43Å; F66-I149 HydrophobicContact CE1-CG2 3.83Å; F66-I149 HydrophobicContact CZ-CG2 4.13Å; F122-I149 HydrophobicContact CB-CG2 4.36Å; F122-I149 HydrophobicContact CD1-CG2 3.49Å; F122-I149 VanDerWaalsContact CD1-CG2 3.49Å; F122-I149 HydrophobicContact CD2-CG2 3.97Å; F122-I149 HydrophobicContact CE1-CG2 3.64Å; F122-I149 HydrophobicContact CE2-CG2 4.11Å; F122-I149 HydrophobicContact CG-CG2 3.67Å; F122-I149 HydrophobicContact CZ-CG2 3.95Å; W140-I149 HydrophobicContact CH2-CD1 4.2Å; K145-I149 VanDerWaalsContact O-CG1 3.29Å; K145-I149 WeakPolarHBondContact O-CG1 3.17Å; K145-I149 PolarHBondContact O-N 2.63Å; V146-I149 PolarHBondContact O-N 3.01Å; I149-I152 PolarHBondContact O-N 2.9Å; I149-T153 WeakPolarHBondContact O-CG2 3.31Å; I149-T153 PolarHBondContact O-N 3.42Å; I149-T153 PolarHBondContact O-OG1 2.91Å
150	I	98.1	Very high	96.5	Very high	20 Å²	20	62.3 Å²	62.3	10%	0.103	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-48.4	177.5	-71.1	164	0	0	0	110.6	Y65 F66 V146 L147 I148 I152 T153 W154	Y65-I150 WeakPolarHBondContact O-CD1 3.4Å; F66-I150 HydrophobicContact CD1-CD1 4.03Å; F66-I150 HydrophobicContact CD1-CG1 3.74Å; F66-I150 HydrophobicContact CE1-CD1 4.4Å; F66-I150 HydrophobicContact CE1-CG1 3.88Å; V146-I150 HydrophobicContact CG1-CD1 3.82Å; V146-I150 HydrophobicContact CG1-CG1 4.46Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.37Å; V146-I150 PolarHBondContact O-N 3.3Å; L147-I150 PolarHBondContact O-N 2.88Å; I148-I150 VanDerWaalsContact C-N 3.31Å; I148-I150 PolarHBondContact O-N 3.46Å; I150-I152 VanDerWaalsContact C-N 3.28Å; I150-I152 PolarHBondContact O-N 3.46Å; I150-T153 WeakPolarHBondContact CA-OG1 3.39Å; I150-T153 PolarHBondContact O-N 2.98Å; I150-T153 PolarHBondContact O-OG1 3.24Å; I150-W154 VanDerWaalsContact O-CD1 3.32Å; I150-W154 PolarHBondContact O-N 2.97Å; I150-W154 VanDerWaalsContact O-N 3.16Å
151	A	98.2	Very high	96.6	Very high	45 Å²	45	57.4 Å²	57.4	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-55.4	-43.8	176.6	0	0	0	0	0	112	L147 I148 T153 W154 I155	L147-A151 PolarHBondContact O-N 2.97Å; I148-A151 PolarHBondContact O-N 3.32Å; A151-T153 PolarHBondContact O-N 3.44Å; A151-W154 PolarHBondContact O-N 3.28Å; A151-I155 HydrophobicContact CB-CD1 4.39Å; A151-I155 WeakPolarHBondContact O-CB 3.33Å; A151-I155 WeakPolarHBondContact O-CD1 3.3Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.43Å; A151-I155 PolarHBondContact O-N 3.16Å
152	I	97.8	Very high	96.9	Very high	82 Å²	82	58.5 Å²	58.5	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-41.3	175.2	-66.6	165.2	0	0	0	111.5	I148 I149 I150 W154 I155 L156	I148-I152 HydrophobicContact CG2-CD1 3.94Å; I148-I152 WeakPolarHBondContact O-CG1 3.34Å; I148-I152 PolarHBondContact O-N 3.32Å; I149-I152 PolarHBondContact O-N 2.9Å; I150-I152 VanDerWaalsContact C-N 3.28Å; I150-I152 PolarHBondContact O-N 3.46Å; I152-W154 PolarHBondContact O-N 3.05Å; I152-I155 PolarHBondContact O-N 2.85Å; I152-L156 HydrophobicContact CG2-CD1 3.54Å; I152-L156 HydrophobicContact CG2-CG 3.98Å; I152-L156 WeakPolarHBondContact O-CB 3.4Å; I152-L156 WeakPolarHBondContact O-CG 3.2Å; I152-L156 PolarHBondContact O-N 3.41Å
153	T	97.3	Very high	96.9	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-16	177.1	56.2	0	0	0	0	115	F122 I149 I150 A151 P157	F122-T153 HydrophobicContact CD2-CG2 3.4Å; F122-T153 HydrophobicContact CE2-CG2 3.47Å; F122-T153 VanDerWaalsContact CE2-CG2 3.47Å; F122-T153 HydrophobicContact CG-CG2 4.49Å; I149-T153 WeakPolarHBondContact O-CG2 3.31Å; I149-T153 PolarHBondContact O-N 3.42Å; I149-T153 PolarHBondContact O-OG1 2.91Å; I150-T153 WeakPolarHBondContact CA-OG1 3.39Å; I150-T153 PolarHBondContact O-N 2.98Å; I150-T153 PolarHBondContact O-OG1 3.24Å; A151-T153 PolarHBondContact O-N 3.44Å; T153-P157 WeakPolarHBondContact O-CD 3.37Å; T153-P157 VanDerWaalsContact O-CG 3.23Å; T153-P157 WeakPolarHBondContact O-CG 3.3Å
154	W	98.5	Very high	96.9	Very high	57 Å²	57	55.8 Å²	55.8	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-95.7	-41.7	171.7	-78	89.7	0	0	0	112	S69 V72 I76 V112 A115 I150 A151 I152 A158	S69-W154 PolarHBondContact OG-NE1 2.63Å; S69-W154 VanDerWaalsContact OG-NE1 3.07Å; V72-W154 HydrophobicContact CB-CZ2 4.25Å; V72-W154 HydrophobicContact CG1-CH2 4.04Å; V72-W154 HydrophobicContact CG1-CZ2 3.87Å; I76-W154 HydrophobicContact CD1-CH2 4.01Å; I76-W154 HydrophobicContact CD1-CZ3 4.3Å; V112-W154 HydrophobicContact CG2-CH2 4.48Å; V112-W154 HydrophobicContact CG2-CZ3 4.07Å; A115-W154 HydrophobicContact CB-CD2 3.87Å; A115-W154 HydrophobicContact CB-CE3 3.97Å; A115-W154 HydrophobicContact CB-CG 4.36Å; A115-W154 HydrophobicContact CB-CH2 4.42Å; A115-W154 HydrophobicContact CB-CZ2 4.31Å; A115-W154 HydrophobicContact CB-CZ3 4.25Å; I150-W154 VanDerWaalsContact O-CD1 3.32Å; I150-W154 PolarHBondContact O-N 2.97Å; I150-W154 VanDerWaalsContact O-N 3.16Å; A151-W154 PolarHBondContact O-N 3.28Å; I152-W154 PolarHBondContact O-N 3.05Å; W154-A158 VanDerWaalsContact O-CB 3.27Å; W154-A158 WeakPolarHBondContact O-CB 3.45Å; W154-A158 PolarHBondContact O-N 3.4Å; W154-A158 VanDerWaalsContact O-N 3.14Å
155	I	98.4	Very high	96.9	Very high	95 Å²	95	49.2 Å²	49.2	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-41.7	-178	-68.6	165.2	0	0	0	111.7	A151 I152 A158 L159	A151-I155 HydrophobicContact CB-CD1 4.39Å; A151-I155 WeakPolarHBondContact O-CB 3.33Å; A151-I155 WeakPolarHBondContact O-CD1 3.3Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.43Å; A151-I155 PolarHBondContact O-N 3.16Å; I152-I155 PolarHBondContact O-N 2.85Å; I155-A158 PolarHBondContact O-N 2.96Å; I155-L159 HydrophobicContact CG2-CD1 3.68Å; I155-L159 HydrophobicContact CG2-CG 4.15Å; I155-L159 WeakPolarHBondContact O-CB 3.46Å; I155-L159 VanDerWaalsContact O-CG 3.31Å; I155-L159 WeakPolarHBondContact O-CG 3.46Å; I155-L159 PolarHBondContact O-N 3.01Å
156	L	96.8	Very high	96.9	Very high	101 Å²	101	48.8 Å²	48.8	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-47	-178.1	-69.2	177.8	0	0	0	113	I152 L160	I152-L156 HydrophobicContact CG2-CD1 3.54Å; I152-L156 HydrophobicContact CG2-CG 3.98Å; I152-L156 WeakPolarHBondContact O-CB 3.4Å; I152-L156 WeakPolarHBondContact O-CG 3.2Å; I152-L156 PolarHBondContact O-N 3.41Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 PolarHBondContact O-N 2.95Å
157	P	97.7	Very high	96.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-40.7	171.7	-27.2	38.8	0	0	0	113.7	T111 L114 Y118 T153 L160 F161	T111-P157 HydrophobicContact CG2-CB 4.22Å; L114-P157 HydrophobicContact CB-CB 4.03Å; L114-P157 HydrophobicContact CB-CG 4.13Å; L114-P157 HydrophobicContact CD2-CB 4.02Å; L114-P157 HydrophobicContact CD2-CG 3.96Å; L114-P157 HydrophobicContact CG-CB 4.14Å; L114-P157 HydrophobicContact CG-CG 3.83Å; Y118-P157 HydrophobicContact CD2-CG 3.99Å; Y118-P157 HydrophobicContact CE2-CG 4.15Å; T153-P157 WeakPolarHBondContact O-CD 3.37Å; T153-P157 VanDerWaalsContact O-CG 3.23Å; T153-P157 WeakPolarHBondContact O-CG 3.3Å; P157-L160 PolarHBondContact O-N 3.14Å; P157-F161 HydrophobicContact CB-CD2 4.39Å; P157-F161 HydrophobicContact CB-CE2 4.47Å; P157-F161 VanDerWaalsContact O-CD2 3.31Å; P157-F161 WeakPolarHBondContact O-CD2 3.25Å; P157-F161 PolarHBondContact O-N 3Å
158	A	98.2	Very high	96.5	Very high	30 Å²	30	47 Å²	47	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-48.3	178.9	0	0	0	0	0	111.4	T111 W154 I155 L160 F162	T111-A158 HydrophobicContact CG2-CB 3.84Å; T111-A158 WeakPolarHBondContact OG1-CA 3.35Å; W154-A158 VanDerWaalsContact O-CB 3.27Å; W154-A158 WeakPolarHBondContact O-CB 3.45Å; W154-A158 PolarHBondContact O-N 3.4Å; W154-A158 VanDerWaalsContact O-N 3.14Å; I155-A158 PolarHBondContact O-N 2.96Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 3.47Å; A158-F162 HydrophobicContact CB-CD2 4.44Å; A158-F162 VanDerWaalsContact O-CB 3.29Å; A158-F162 WeakPolarHBondContact O-CB 3.27Å; A158-F162 VanDerWaalsContact O-CD2 3.31Å; A158-F162 WeakPolarHBondContact O-CD2 3.45Å; A158-F162 PolarHBondContact O-N 2.67Å
159	L	97.5	Very high	96.1	Very high	104 Å²	104	43.8 Å²	43.8	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-41.4	175	-71	174.2	0	0	0	111.6	I155 T163	I155-L159 HydrophobicContact CG2-CD1 3.68Å; I155-L159 HydrophobicContact CG2-CG 4.15Å; I155-L159 WeakPolarHBondContact O-CB 3.46Å; I155-L159 VanDerWaalsContact O-CG 3.31Å; I155-L159 WeakPolarHBondContact O-CG 3.46Å; I155-L159 PolarHBondContact O-N 3.01Å; L159-T163 WeakPolarHBondContact O-CB 3.29Å; L159-T163 WeakPolarHBondContact O-CG2 3.24Å; L159-T163 PolarHBondContact O-N 2.83Å; L159-T163 PolarHBondContact O-OG1 2.94Å
160	L	95.4	Very high	95.8	Very high	64 Å²	64	51.9 Å²	51.9	34%	0.335	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-56.3	179	-178.2	63	0	0	0	111.7	L114 L156 P157 A158 T163 S164 M197	L114-L160 HydrophobicContact CD2-CD2 4.33Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 PolarHBondContact O-N 2.95Å; P157-L160 PolarHBondContact O-N 3.14Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 3.47Å; L160-T163 PolarHBondContact O-OG1 3.5Å; L160-S164 VanDerWaalsContact O-CB 3.28Å; L160-S164 WeakPolarHBondContact O-CB 3.39Å; L160-S164 PolarHBondContact O-N 3.44Å; L160-S164 PolarHBondContact O-OG 3.27Å; L160-S164 VanDerWaalsContact O-OG 3.05Å; L160-M197 HydrophobicContact CD1-CE 3.8Å; L160-M197 HydrophobicContact CD2-CE 4.31Å; L160-M197 HydrophobicContact CG-CE 3.96Å
161	F	96.8	Very high	95.4	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-82.1	-38.6	-170	-65.3	-61.4	0	0	0	114	Y110 L114 P157 T163 S164 I165 F187 M197 Y201	Y110-F161 VanDerWaalsContact C-CD2 3.49Å; Y110-F161 HydrophobicContact CD1-CD1 4.03Å; Y110-F161 AromaticContact CD1-CE1 3.69Å; Y110-F161 HydrophobicContact CD1-CE1 3.69Å; Y110-F161 HydrophobicContact CD1-CZ 4.08Å; Y110-F161 HydrophobicContact CG-CD1 4.26Å; Y110-F161 HydrophobicContact CG-CE1 4.3Å; Y110-F161 VanDerWaalsContact O-CE2 3.26Å; Y110-F161 WeakPolarHBondContact O-CE2 3.39Å; L114-F161 HydrophobicContact CB-CE2 3.86Å; L114-F161 HydrophobicContact CD2-CE2 3.6Å; L114-F161 HydrophobicContact CD2-CZ 4.02Å; L114-F161 HydrophobicContact CG-CE2 4.38Å; P157-F161 HydrophobicContact CB-CD2 4.39Å; P157-F161 HydrophobicContact CB-CE2 4.47Å; P157-F161 VanDerWaalsContact O-CD2 3.31Å; P157-F161 WeakPolarHBondContact O-CD2 3.25Å; P157-F161 PolarHBondContact O-N 3Å; F161-T163 VanDerWaalsContact C-N 3.28Å; F161-T163 PolarHBondContact O-N 2.93Å; F161-S164 PolarHBondContact O-N 2.88Å; F161-I165 HydrophobicContact CB-CD1 4.36Å; F161-I165 VanDerWaalsContact O-CB 3.29Å; F161-I165 WeakPolarHBondContact O-CB 3.28Å; F161-I165 WeakPolarHBondContact O-CG1 3.34Å; F161-I165 PolarHBondContact O-N 3.05Å; F161-F187 HydrophobicContact CD1-CE1 4.21Å; F161-F187 HydrophobicContact CD1-CZ 4.33Å; F161-F187 HydrophobicContact CE1-CZ 4.28Å; F161-M197 HydrophobicContact CD1-CE 4.45Å; F161-M197 HydrophobicContact CE1-CE 4.18Å; F161-M197 HydrophobicContact CE1-SD 4.2Å; F161-Y201 HydrophobicContact CE1-CE1 4.13Å; F161-Y201 HydrophobicContact CZ-CD1 4.19Å; F161-Y201 AromaticContact CZ-CE1 3.78Å; F161-Y201 HydrophobicContact CZ-CE1 3.78Å
162	F	97.2	Very high	94.9	Very high	71 Å²	71	57.5 Å²	57.5	31%	0.311	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-36.3	175	-77.9	-104.4	0	0	0	111.2	L104 S107 V108 A158 F166	L104-F162 HydrophobicContact CD1-CE1 4.09Å; S107-F162 WeakPolarHBondContact O-CE2 3.42Å; V108-F162 HydrophobicContact CG2-CZ 3.95Å; A158-F162 HydrophobicContact CB-CD2 4.44Å; A158-F162 VanDerWaalsContact O-CB 3.29Å; A158-F162 WeakPolarHBondContact O-CB 3.27Å; A158-F162 VanDerWaalsContact O-CD2 3.31Å; A158-F162 WeakPolarHBondContact O-CD2 3.45Å; A158-F162 PolarHBondContact O-N 2.67Å; F162-F166 HydrophobicContact CD1-CD2 4.19Å; F162-F166 AromaticContact CD1-CE2 3.93Å; F162-F166 HydrophobicContact CD1-CE2 3.93Å; F162-F166 HydrophobicContact CE1-CE2 4.32Å; F162-F166 WeakPolarHBondContact O-CB 3.13Å; F162-F166 PolarHBondContact O-N 3.09Å
163	T	95.1	Very high	94.4	Very high	74 Å²	74	56.8 Å²	56.8	45%	0.454	30%	0.301	S	S	.	.	H	α-helix	trans	-74.3	-42.4	174.2	64.3	0	0	0	0	112.4	L159 L160 F161 I165 G167 F171	L159-T163 WeakPolarHBondContact O-CB 3.29Å; L159-T163 WeakPolarHBondContact O-CG2 3.24Å; L159-T163 PolarHBondContact O-N 2.83Å; L159-T163 PolarHBondContact O-OG1 2.94Å; L160-T163 PolarHBondContact O-OG1 3.5Å; F161-T163 VanDerWaalsContact C-N 3.28Å; F161-T163 PolarHBondContact O-N 2.93Å; T163-I165 VanDerWaalsContact C-N 3.32Å; T163-I165 PolarHBondContact O-N 3.5Å; T163-G167 WeakPolarHBondContact O-CA 3.16Å; T163-G167 PolarHBondContact O-N 2.95Å; T163-F171 WeakPolarHBondContact O-CE2 3.17Å
164	S	93.6	Very high	93.7	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-73.9	-18.5	-178.1	71.7	0	0	0	0	114.5	L160 F161	L160-S164 VanDerWaalsContact O-CB 3.28Å; L160-S164 WeakPolarHBondContact O-CB 3.39Å; L160-S164 PolarHBondContact O-N 3.44Å; L160-S164 PolarHBondContact O-OG 3.27Å; L160-S164 VanDerWaalsContact O-OG 3.05Å; F161-S164 PolarHBondContact O-N 2.88Å
165	I	94.9	Very high	93.1	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-92.6	-64.9	176.1	-67.8	166.8	0	0	0	110.3	D103 L106 F161 T163 G167 W168 A185 P186 F187	D103-I165 HydrophobicContact CB-CG2 4.01Å; L106-I165 HydrophobicContact CB-CD1 3.97Å; F161-I165 HydrophobicContact CB-CD1 4.36Å; F161-I165 VanDerWaalsContact O-CB 3.29Å; F161-I165 WeakPolarHBondContact O-CB 3.28Å; F161-I165 WeakPolarHBondContact O-CG1 3.34Å; F161-I165 PolarHBondContact O-N 3.05Å; T163-I165 VanDerWaalsContact C-N 3.32Å; T163-I165 PolarHBondContact O-N 3.5Å; I165-G167 VanDerWaalsContact C-N 3.28Å; I165-G167 PolarHBondContact O-N 3.45Å; I165-W168 PolarHBondContact O-N 3.13Å; I165-A185 HydrophobicContact CD1-CB 4.37Å; I165-A185 HydrophobicContact CG1-CB 4.33Å; I165-P186 HydrophobicContact CG2-CG 4.49Å; I165-F187 HydrophobicContact CD1-CE1 4.17Å; I165-F187 HydrophobicContact CG1-CD1 4.01Å; I165-F187 HydrophobicContact CG1-CE1 3.77Å
166	F	94.6	Very high	92.5	Very high	62 Å²	62	61.9 Å²	61.9	27%	0.272	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-28.6	-179.4	-71.5	-83.4	0	0	0	113.1	F100 D103 L104 S107 F162	F100-F166 AromaticContact CD2-CE1 3.89Å; F100-F166 HydrophobicContact CD2-CE1 3.89Å; F100-F166 HydrophobicContact CD2-CZ 4.47Å; F100-F166 AromaticContact CE2-CE1 3.82Å; F100-F166 HydrophobicContact CE2-CE1 3.82Å; F100-F166 HydrophobicContact CE2-CZ 4.14Å; D103-F166 HydrophobicContact CB-CD1 4.15Å; D103-F166 HydrophobicContact CB-CE1 3.68Å; D103-F166 HydrophobicContact CB-CE2 4.45Å; D103-F166 HydrophobicContact CB-CZ 3.86Å; L104-F166 HydrophobicContact CB-CZ 4.17Å; S107-F166 VanDerWaalsContact OG-CE2 3.3Å; S107-F166 WeakPolarHBondContact OG-CE2 3.45Å; F162-F166 HydrophobicContact CD1-CD2 4.19Å; F162-F166 AromaticContact CD1-CE2 3.93Å; F162-F166 HydrophobicContact CD1-CE2 3.93Å; F162-F166 HydrophobicContact CE1-CE2 4.32Å; F162-F166 WeakPolarHBondContact O-CB 3.13Å; F162-F166 PolarHBondContact O-N 3.09Å
167	G	92.9	Very high	91.9	Very high	12 Å²	12	59.2 Å²	59.2	12%	0.124	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.6	178.4	0	0	0	0	0	114.8	T163 I165 S169 Y170 F171	T163-G167 WeakPolarHBondContact O-CA 3.16Å; T163-G167 PolarHBondContact O-N 2.95Å; I165-G167 VanDerWaalsContact C-N 3.28Å; I165-G167 PolarHBondContact O-N 3.45Å; G167-S169 VanDerWaalsContact C-N 3.32Å; G167-S169 PolarHBondContact O-N 2.88Å; G167-Y170 WeakPolarHBondContact O-CB 3.35Å; G167-Y170 PolarHBondContact O-N 2.89Å; G167-F171 WeakPolarHBondContact O-CD2 3.5Å; G167-F171 WeakPolarHBondContact O-CG 3.43Å; G167-F171 PolarHBondContact O-N 2.95Å; G167-F171 VanDerWaalsContact O-N 3.09Å
168	W	92.5	Very high	91.4	Very high	25 Å²	25	59.6 Å²	59.6	10%	0.095	32%	0.321	C	S	.	.	H	α-helix	trans	-56.6	-43.3	-169.7	-169.6	-105	0	0	0	113.3	I165 Y170 F171 S172 P186 F187 D190 F193	I165-W168 PolarHBondContact O-N 3.13Å; W168-Y170 PolarHBondContact O-N 3.45Å; W168-Y170 VanDerWaalsContact O-N 3.15Å; W168-F171 PolarHBondContact O-N 2.86Å; W168-S172 WeakPolarHBondContact O-CB 3.45Å; W168-S172 PolarHBondContact O-N 2.7Å; W168-S172 PolarHBondContact O-OG 2.81Å; W168-S172 VanDerWaalsContact O-OG 3.07Å; W168-P186 HydrophobicContact CB-CB 3.53Å; W168-P186 HydrophobicContact CB-CG 4.39Å; W168-P186 HydrophobicContact CD2-CB 4.37Å; W168-P186 HydrophobicContact CG-CB 3.47Å; W168-P186 VanDerWaalsContact CG-CB 3.47Å; W168-P186 PolarHBondContact NE1-O 3.45Å; W168-F187 HydrophobicContact CD2-CB 4.08Å; W168-F187 HydrophobicContact CE3-CB 3.53Å; W168-F187 HydrophobicContact CH2-CB 3.92Å; W168-F187 HydrophobicContact CZ2-CB 4.41Å; W168-F187 HydrophobicContact CZ3-CB 3.44Å; W168-F187 VanDerWaalsContact CZ3-CB 3.44Å; W168-D190 HydrophobicContact CH2-CB 4.08Å; W168-D190 HydrophobicContact CZ2-CB 4.12Å; W168-F193 HydrophobicContact CH2-CB 4.46Å; W168-F193 HydrophobicContact CH2-CD1 4.26Å; W168-F193 HydrophobicContact CH2-CG 4.22Å; W168-F193 HydrophobicContact CZ3-CD1 4.04Å; W168-F193 HydrophobicContact CZ3-CD2 4.5Å; W168-F193 HydrophobicContact CZ3-CE1 4.05Å; W168-F193 HydrophobicContact CZ3-CG 4.25Å; W168-F193 HydrophobicContact CZ3-CZ 4.3Å
169	S	89.5	Confident	90.7	Very high	35 Å²	35	62.8 Å²	62.8	25%	0.245	33%	0.329	C	S	.	.	H	α-helix	trans	-56.4	-30	177.8	-49.8	0	0	0	0	113.6	G167 G175	G167-S169 VanDerWaalsContact C-N 3.32Å; G167-S169 PolarHBondContact O-N 2.88Å; S169-G175 WeakPolarHBondContact CA-O 3.3Å; S169-G175 WeakPolarHBondContact CB-O 3.4Å; S169-G175 PolarHBondContact OG-O 3.1Å
170	Y	91.6	Very high	90.1	Very high	200 Å²	200	65.1 Å²	65.1	78%	0.784	34%	0.337	S	S	*	.	H	α-helix	trans	-87.5	-30.5	177.5	-58	-85.5	0	0	0	112.3	G167 W168	G167-Y170 WeakPolarHBondContact O-CB 3.35Å; G167-Y170 PolarHBondContact O-N 2.89Å; W168-Y170 PolarHBondContact O-N 3.45Å; W168-Y170 VanDerWaalsContact O-N 3.15Å
171	F	89.2	Confident	89.7	Confident	142 Å²	142	63.9 Å²	63.9	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-80.8	-34	179.2	-56.8	-33.4	0	0	0	113	T163 G167 W168	T163-F171 WeakPolarHBondContact O-CE2 3.17Å; G167-F171 WeakPolarHBondContact O-CD2 3.5Å; G167-F171 WeakPolarHBondContact O-CG 3.43Å; G167-F171 PolarHBondContact O-N 2.95Å; G167-F171 VanDerWaalsContact O-N 3.09Å; W168-F171 PolarHBondContact O-N 2.86Å
172	S	87.3	Confident	89.3	Confident	41 Å²	41	66.6 Å²	66.6	29%	0.287	34%	0.342	S	S	.	.	S	Bend	trans	-82	-25.5	176.2	68.6	0	0	0	0	113.2	W168 Q174	W168-S172 WeakPolarHBondContact O-CB 3.45Å; W168-S172 PolarHBondContact O-N 2.7Å; W168-S172 PolarHBondContact O-OG 2.81Å; W168-S172 VanDerWaalsContact O-OG 3.07Å; S172-Q174 PolarHBondContact O-N 3.37Å; S172-Q174 PolarHBondContact OG-N 3.03Å
173	G	87.8	Confident	89.2	Confident	68 Å²	68	63.5 Å²	63.5	70%	0.701	33%	0.329	S	S	*	.	S	Bend	trans	70.4	5.1	-172.3	0	0	0	0	0	114.6
174	Q	82.1	Confident	89	Confident	147 Å²	147	63.6 Å²	63.6	69%	0.687	33%	0.325	S	S	*	.	S	Bend	trans	-95.9	2.2	-174.8	-67.3	-179.2	-30.9	0	0	113.9	S172 T177	S172-Q174 PolarHBondContact O-N 3.37Å; S172-Q174 PolarHBondContact OG-N 3.03Å; Q174-T177 HydrophobicContact CB-CG2 4.34Å
175	G	85.8	Confident	88.9	Confident	34 Å²	34	63.3 Å²	63.3	35%	0.351	32%	0.323	S	S	.	.			trans	72.7	-158.9	-170.1	0	0	0	0	0	111.9	S169 T177	S169-G175 WeakPolarHBondContact CA-O 3.3Å; S169-G175 WeakPolarHBondContact CB-O 3.4Å; S169-G175 PolarHBondContact OG-O 3.1Å; G175-T177 PolarHBondContact O-N 3.27Å
176	R	86.9	Confident	88.7	Confident	81 Å²	81	63.5 Å²	63.5	31%	0.306	33%	0.325	S	S	.	.			trans	-72.2	119	176	-175.5	-176.1	-179.4	79.8	3.4	109.4	D103 M178	D103-R176 IonicContact OD1-CZ 2.91Å; D103-R176 IonicContact OD1-NH1 3.19Å; D103-R176 PolarHBondContact OD1-NH1 3.26Å; D103-R176 IonicContact OD1-NH2 2.74Å; D103-R176 PolarHBondContact OD1-NH2 3.11Å; D103-R176 IonicContact OD2-CZ 2.72Å; D103-R176 IonicContact OD2-NH1 3.36Å; D103-R176 PolarHBondContact OD2-NH1 3.41Å; R176-M178 WeakPolarHBondContact CD-O 3.41Å; R176-M178 PolarHBondContact NE-O 3.46Å
177	T	83.5	Confident	88.4	Confident	44 Å²	44	60.5 Å²	60.5	27%	0.27	31%	0.312	S	S	.	.			trans	-82.3	-11.3	-178.8	50.4	0	0	0	0	115.1	Q174 G175	Q174-T177 HydrophobicContact CB-CG2 4.34Å; G175-T177 PolarHBondContact O-N 3.27Å
178	M	86.5	Confident	88.2	Confident	10 Å²	10	62 Å²	62	5%	0.049	32%	0.316	C	S	.	.	S	Bend	trans	-109.8	133.2	-174	-57.4	-61	170.8	0	0	112	R176 E182 M184 V189	R176-M178 WeakPolarHBondContact CD-O 3.41Å; R176-M178 PolarHBondContact NE-O 3.46Å; M178-E182 HydrophobicContact CB-CB 4.44Å; M178-M184 HydrophobicContact CE-CE 3.8Å; M178-M184 HydrophobicContact CE-CG 3.56Å; M178-M184 HydrophobicContact CE-SD 4.26Å; M178-M184 HydrophobicContact SD-CE 3.43Å; M178-M184 WeakPolarHBondContact SD-CE 3.48Å; M178-M184 HydrophobicContact SD-CG 3.58Å; M178-M184 VanDerWaalsContact SD-CG 3.58Å; M178-M184 HydrophobicContact SD-SD 4.32Å; M178-V189 HydrophobicContact CE-CG2 3.42Å; M178-V189 VanDerWaalsContact CE-CG2 3.42Å
179	K	84.5	Confident	87.8	Confident	97 Å²	97	64.5 Å²	64.5	42%	0.422	33%	0.334	S	S	.	.			trans	-62.1	162.7	170.7	-60	-175	-177.3	-172.8	0	111.2	E15 H181 E182	E15-K179 IonicContact OE2-NZ 3.3Å; E15-K179 PolarHBondContact OE2-NZ 3.22Å; K179-H181 VanDerWaalsContact C-N 3.27Å; K179-H181 VanDerWaalsContact CD-CE1 3.47Å; K179-H181 WeakPolarHBondContact CD-CE1 3.48Å; K179-H181 PolarHBondContact O-N 2.96Å; K179-E182 HydrophobicContact CB-CB 4.34Å; K179-E182 HydrophobicContact CB-CG 3.97Å; K179-E182 WeakPolarHBondContact CB-OE2 3.46Å; K179-E182 WeakPolarHBondContact CD-OE1 3.4Å; K179-E182 WeakPolarHBondContact CG-OE2 3.47Å; K179-E182 PolarHBondContact N-OE2 3.12Å; K179-E182 PolarHBondContact O-N 2.82Å; K179-E182 VanDerWaalsContact O-N 3.1Å
180	E	84.4	Confident	87.7	Confident	153 Å²	153	65.6 Å²	65.6	72%	0.715	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.9	-176.6	-60.3	-163.6	146.6	0	0	114.6
181	H	86.8	Confident	87.6	Confident	38 Å²	38	58.3 Å²	58.3	18%	0.176	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.4	177	60.6	-99.3	0	0	0	113.4	I17 W19 K94 W95 K179	I17-H181 VanDerWaalsContact CD1-ND1 3.26Å; I17-H181 WeakPolarHBondContact CD1-ND1 3.46Å; W19-H181 HydrophobicContact CH2-CB 4.18Å; K94-H181 WeakPolarHBondContact CA-O 3.48Å; W95-H181 PolarHBondContact N-O 3.05Å; K179-H181 VanDerWaalsContact C-N 3.27Å; K179-H181 VanDerWaalsContact CD-CE1 3.47Å; K179-H181 WeakPolarHBondContact CD-CE1 3.48Å; K179-H181 PolarHBondContact O-N 2.96Å
182	E	89.1	Confident	87.6	Confident	58 Å²	58	60.3 Å²	60.3	27%	0.271	32%	0.319	S	S	.	.			trans	-91.4	128.9	177.5	-70.3	166.7	174.9	0	0	109.2	M178 K179	M178-E182 HydrophobicContact CB-CB 4.44Å; K179-E182 HydrophobicContact CB-CB 4.34Å; K179-E182 HydrophobicContact CB-CG 3.97Å; K179-E182 WeakPolarHBondContact CB-OE2 3.46Å; K179-E182 WeakPolarHBondContact CD-OE1 3.4Å; K179-E182 WeakPolarHBondContact CG-OE2 3.47Å; K179-E182 PolarHBondContact N-OE2 3.12Å; K179-E182 PolarHBondContact O-N 2.82Å; K179-E182 VanDerWaalsContact O-N 3.1Å
183	C	93.8	Very high	87.7	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.034	32%	0.32	C	S	.	.			trans	-130.6	93.5	174.3	-170.2	0	0	0	0	111.7	Y88 W95 C102 W105	Y88-C183 HydrophobicContact CD2-CB 4.26Å; Y88-C183 HydrophobicContact CE2-CB 4.23Å; W95-C183 HydrophobicContact CB-CB 3.67Å; W95-C183 HydrophobicContact CD2-CB 4.03Å; W95-C183 HydrophobicContact CE3-CB 4.24Å; W95-C183 HydrophobicContact CG-CB 3.8Å; C102-C183 VanDerWaalsContact CA-SG 3.55Å; C102-C183 HydrophobicContact CB-CB 3.89Å; C102-C183 WeakPolarHBondContact CB-SG 3.41Å; C102-C183 WeakPolarHBondContact SG-CA 3.42Å; C102-C183 WeakPolarHBondContact SG-CB 3.4Å; C102-C183 CovalentContact SG-SG 2.03Å; C102-C183 PolarHBondContact SG-SG 3.27Å; W105-C183 VanDerWaalsContact CE3-SG 3.57Å; W105-C183 HydrophobicContact CZ3-CB 4.4Å; W105-C183 WeakPolarHBondContact CZ3-SG 3.27Å
184	M	91.2	Very high	87.8	Confident	76 Å²	76	58.7 Å²	58.7	37%	0.374	29%	0.287	S	S	.	.	S	Bend	trans	-144.9	149.2	172.3	58.9	179.5	170.1	0	0	108.9	M178 P186 M188	M178-M184 HydrophobicContact CE-CE 3.8Å; M178-M184 HydrophobicContact CE-CG 3.56Å; M178-M184 HydrophobicContact CE-SD 4.26Å; M178-M184 HydrophobicContact SD-CE 3.43Å; M178-M184 WeakPolarHBondContact SD-CE 3.48Å; M178-M184 HydrophobicContact SD-CG 3.58Å; M178-M184 VanDerWaalsContact SD-CG 3.58Å; M178-M184 HydrophobicContact SD-SD 4.32Å; M184-P186 WeakPolarHBondContact O-CD 3.42Å; M184-M188 HydrophobicContact CB-CE 3.97Å
185	A	92.2	Very high	88.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.			trans	-62.4	124.7	-173.5	0	0	0	0	0	110.5	L106 Y110 I165 F187 M188	L106-A185 HydrophobicContact CD1-CB 4.43Å; Y110-A185 HydrophobicContact CE2-CB 4.4Å; I165-A185 HydrophobicContact CD1-CB 4.37Å; I165-A185 HydrophobicContact CG1-CB 4.33Å; A185-F187 HydrophobicContact CB-CD1 4.05Å; A185-F187 HydrophobicContact CB-CE1 3.59Å; A185-F187 HydrophobicContact CB-CE2 4.34Å; A185-F187 HydrophobicContact CB-CZ 3.75Å; A185-F187 PolarHBondContact O-N 3.18Å; A185-M188 HydrophobicContact CB-CE 3.91Å; A185-M188 HydrophobicContact CB-CG 4.28Å; A185-M188 WeakPolarHBondContact O-CB 3.32Å; A185-M188 PolarHBondContact O-N 2.7Å
186	P	91.6	Very high	88.5	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.032	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53.5	-33.2	-170.2	-32.6	38	0	0	0	115.5	I165 W168 M184 M188 V189	I165-P186 HydrophobicContact CG2-CG 4.49Å; W168-P186 HydrophobicContact CB-CB 3.53Å; W168-P186 HydrophobicContact CB-CG 4.39Å; W168-P186 HydrophobicContact CD2-CB 4.37Å; W168-P186 HydrophobicContact CG-CB 3.47Å; W168-P186 VanDerWaalsContact CG-CB 3.47Å; W168-P186 PolarHBondContact NE1-O 3.45Å; M184-P186 WeakPolarHBondContact O-CD 3.42Å; P186-M188 PolarHBondContact O-N 3.37Å; P186-V189 WeakPolarHBondContact O-CG2 3.44Å; P186-V189 PolarHBondContact O-N 3.47Å
187	F	88	Confident	88.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-68.4	-14.5	178.3	65.8	-106.2	0	0	0	114.9	Y110 F161 I165 W168 A185 V189 D190 F193 M197	Y110-F187 HydrophobicContact CD1-CZ 4.08Å; Y110-F187 HydrophobicContact CE1-CE2 4.45Å; Y110-F187 AromaticContact CE1-CZ 3.76Å; Y110-F187 HydrophobicContact CE1-CZ 3.76Å; F161-F187 HydrophobicContact CD1-CE1 4.21Å; F161-F187 HydrophobicContact CD1-CZ 4.33Å; F161-F187 HydrophobicContact CE1-CZ 4.28Å; I165-F187 HydrophobicContact CD1-CE1 4.17Å; I165-F187 HydrophobicContact CG1-CD1 4.01Å; I165-F187 HydrophobicContact CG1-CE1 3.77Å; W168-F187 HydrophobicContact CD2-CB 4.08Å; W168-F187 HydrophobicContact CE3-CB 3.53Å; W168-F187 HydrophobicContact CH2-CB 3.92Å; W168-F187 HydrophobicContact CZ2-CB 4.41Å; W168-F187 HydrophobicContact CZ3-CB 3.44Å; W168-F187 VanDerWaalsContact CZ3-CB 3.44Å; A185-F187 HydrophobicContact CB-CD1 4.05Å; A185-F187 HydrophobicContact CB-CE1 3.59Å; A185-F187 HydrophobicContact CB-CE2 4.34Å; A185-F187 HydrophobicContact CB-CZ 3.75Å; A185-F187 PolarHBondContact O-N 3.18Å; F187-V189 PolarHBondContact O-N 3.04Å; F187-D190 PolarHBondContact O-N 3.02Å; F187-F193 HydrophobicContact CB-CD1 3.71Å; F187-F193 HydrophobicContact CB-CE1 3.67Å; F187-F193 HydrophobicContact CD2-CD1 4.18Å; F187-F193 HydrophobicContact CD2-CE1 4.24Å; F187-F193 HydrophobicContact CG-CD1 4.23Å; F187-F193 HydrophobicContact CG-CE1 4.01Å; F187-M197 HydrophobicContact CD2-SD 3.75Å; F187-M197 HydrophobicContact CE1-SD 4.29Å; F187-M197 HydrophobicContact CE2-SD 3.52Å; F187-M197 VanDerWaalsContact CE2-SD 3.52Å; F187-M197 HydrophobicContact CG-SD 4.26Å; F187-M197 HydrophobicContact CZ-SD 3.81Å
188	M	87.9	Confident	89.2	Confident	42 Å²	42	48.1 Å²	48.1	21%	0.207	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-73.2	-9.8	177.3	-64.7	-162.9	-72.3	0	0	113.4	Y110 M184 A185 P186 D190	Y110-M188 WeakPolarHBondContact OH-CE 3.29Å; Y110-M188 PolarHBondContact OH-SD 3.23Å; M184-M188 HydrophobicContact CB-CE 3.97Å; A185-M188 HydrophobicContact CB-CE 3.91Å; A185-M188 HydrophobicContact CB-CG 4.28Å; A185-M188 WeakPolarHBondContact O-CB 3.32Å; A185-M188 PolarHBondContact O-N 2.7Å; P186-M188 PolarHBondContact O-N 3.37Å; M188-D190 VanDerWaalsContact C-N 3.3Å
189	V	85.1	Confident	89.5	Confident	79 Å²	79	52.7 Å²	52.7	48%	0.479	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-69.6	-27.8	172.2	-178.2	0	0	0	0	111.8	M178 P186 F187 P191	M178-V189 HydrophobicContact CE-CG2 3.42Å; M178-V189 VanDerWaalsContact CE-CG2 3.42Å; P186-V189 WeakPolarHBondContact O-CG2 3.44Å; P186-V189 PolarHBondContact O-N 3.47Å; F187-V189 PolarHBondContact O-N 3.04Å; V189-P191 WeakPolarHBondContact O-CD 3.4Å
190	D	87.4	Confident	89.8	Confident	58 Å²	58	51.3 Å²	51.3	31%	0.31	26%	0.262	S	S	.	.	S	Bend	trans	-93.3	107.6	169.7	-178.8	-20.3	0	0	0	109.3	W168 F187 M188 Y192 F193 N194	W168-D190 HydrophobicContact CH2-CB 4.08Å; W168-D190 HydrophobicContact CZ2-CB 4.12Å; F187-D190 PolarHBondContact O-N 3.02Å; M188-D190 VanDerWaalsContact C-N 3.3Å; D190-Y192 VanDerWaalsContact C-N 3.3Å; D190-Y192 PolarHBondContact O-N 3.36Å; D190-Y192 WeakPolarHBondContact OD1-CA 3.47Å; D190-Y192 WeakPolarHBondContact OD1-CB 3.41Å; D190-Y192 PolarHBondContact OD1-N 3.15Å; D190-F193 HydrophobicContact CB-CB 3.85Å; D190-F193 PolarHBondContact O-N 3.48Å; D190-F193 PolarHBondContact OD1-N 2.96Å; D190-N194 VanDerWaalsContact O-CB 3.28Å; D190-N194 WeakPolarHBondContact O-CB 3.48Å; D190-N194 PolarHBondContact O-N 2.79Å
191	P	87.9	Confident	90.2	Very high	46 Å²	46	44.2 Å²	44.2	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-31.2	-179.4	28.8	-35.4	0	0	0	112.1	V189 M195 G728	V189-P191 WeakPolarHBondContact O-CD 3.4Å; P191-M195 WeakPolarHBondContact O-CB 3.3Å; P191-M195 WeakPolarHBondContact O-CG 3.47Å; P191-M195 PolarHBondContact O-N 3.5Å; P191-G728 VanDerWaalsContact CB-O 3.27Å; P191-G728 WeakPolarHBondContact CB-O 3.5Å
192	Y	89.6	Confident	90.6	Very high	184 Å²	184	42.4 Å²	42.4	72%	0.722	22%	0.221	S	C	*	.	H	α-helix	trans	-70	-44.1	179.1	-57.6	-79.4	0	0	0	110.9	D190 S196	D190-Y192 VanDerWaalsContact C-N 3.3Å; D190-Y192 PolarHBondContact O-N 3.36Å; D190-Y192 WeakPolarHBondContact OD1-CA 3.47Å; D190-Y192 WeakPolarHBondContact OD1-CB 3.41Å; D190-Y192 PolarHBondContact OD1-N 3.15Å; Y192-S196 WeakPolarHBondContact O-CB 3.37Å; Y192-S196 PolarHBondContact O-N 2.85Å
193	F	90.2	Very high	90.9	Very high	70 Å²	70	43.3 Å²	43.3	31%	0.307	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-48.7	174.4	-171.6	-89.6	0	0	0	110.9	W168 F187 D190 M195 S196 M197	W168-F193 HydrophobicContact CH2-CB 4.46Å; W168-F193 HydrophobicContact CH2-CD1 4.26Å; W168-F193 HydrophobicContact CH2-CG 4.22Å; W168-F193 HydrophobicContact CZ3-CD1 4.04Å; W168-F193 HydrophobicContact CZ3-CD2 4.5Å; W168-F193 HydrophobicContact CZ3-CE1 4.05Å; W168-F193 HydrophobicContact CZ3-CG 4.25Å; W168-F193 HydrophobicContact CZ3-CZ 4.3Å; F187-F193 HydrophobicContact CB-CD1 3.71Å; F187-F193 HydrophobicContact CB-CE1 3.67Å; F187-F193 HydrophobicContact CD2-CD1 4.18Å; F187-F193 HydrophobicContact CD2-CE1 4.24Å; F187-F193 HydrophobicContact CG-CD1 4.23Å; F187-F193 HydrophobicContact CG-CE1 4.01Å; D190-F193 HydrophobicContact CB-CB 3.85Å; D190-F193 PolarHBondContact O-N 3.48Å; D190-F193 PolarHBondContact OD1-N 2.96Å; F193-M195 PolarHBondContact O-N 3.26Å; F193-S196 WeakPolarHBondContact O-CB 3.48Å; F193-S196 PolarHBondContact O-N 3.45Å; F193-S196 VanDerWaalsContact O-N 3.16Å; F193-S196 PolarHBondContact O-OG 3.32Å; F193-M197 HydrophobicContact CD1-SD 4.27Å; F193-M197 HydrophobicContact CE1-CE 3.55Å; F193-M197 HydrophobicContact CE1-CG 4.19Å; F193-M197 HydrophobicContact CE1-SD 3.68Å; F193-M197 HydrophobicContact CZ-CE 3.87Å; F193-M197 HydrophobicContact CZ-SD 4.5Å; F193-M197 PolarHBondContact O-N 2.85Å
194	N	89.9	Confident	91	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-44.1	180	-167.5	28.9	0	0	0	112.7	D190 M197 Y198	D190-N194 VanDerWaalsContact O-CB 3.28Å; D190-N194 WeakPolarHBondContact O-CB 3.48Å; D190-N194 PolarHBondContact O-N 2.79Å; N194-M197 VanDerWaalsContact O-CB 3.31Å; N194-M197 WeakPolarHBondContact O-CB 3.46Å; N194-M197 PolarHBondContact O-N 2.95Å; N194-Y198 PolarHBondContact ND2-OH 2.67Å; N194-Y198 PolarHBondContact O-N 2.85Å; N194-Y198 WeakPolarHBondContact OD1-CE1 3.32Å; N194-Y198 PolarHBondContact OD1-OH 2.96Å; N194-Y198 VanDerWaalsContact OD1-OH 3.08Å
195	M	89.6	Confident	91.2	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.069	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-37.3	175	-65	-59.7	159	0	0	112.4	P191 F193 M197 Y198 I199 T725 G728 F729	P191-M195 WeakPolarHBondContact O-CB 3.3Å; P191-M195 WeakPolarHBondContact O-CG 3.47Å; P191-M195 PolarHBondContact O-N 3.5Å; F193-M195 PolarHBondContact O-N 3.26Å; M195-M197 PolarHBondContact O-N 2.84Å; M195-Y198 HydrophobicContact CE-CE2 4.47Å; M195-Y198 PolarHBondContact O-N 2.97Å; M195-Y198 HydrophobicContact SD-CD2 3.92Å; M195-Y198 HydrophobicContact SD-CE2 4.36Å; M195-I199 WeakPolarHBondContact O-CB 3.42Å; M195-I199 VanDerWaalsContact O-CG1 3.25Å; M195-I199 WeakPolarHBondContact O-CG1 3.46Å; M195-I199 PolarHBondContact O-N 3.31Å; M195-T725 WeakPolarHBondContact CE-O 3.34Å; M195-T725 HydrophobicContact SD-CG2 3.89Å; M195-G728 VanDerWaalsContact CE-CA 3.47Å; M195-F729 HydrophobicContact CE-CD2 3.9Å; M195-F729 HydrophobicContact CE-CE2 3.88Å; M195-F729 HydrophobicContact CE-CG 4.41Å; M195-F729 HydrophobicContact CE-CZ 4.4Å; M195-F729 HydrophobicContact CG-CE1 4.35Å; M195-F729 HydrophobicContact CG-CE2 3.82Å; M195-F729 HydrophobicContact CG-CZ 3.64Å; M195-F729 HydrophobicContact SD-CD2 4.33Å; M195-F729 HydrophobicContact SD-CE2 3.75Å; M195-F729 HydrophobicContact SD-CZ 4.21Å
196	S	92.1	Very high	91.3	Very high	61 Å²	61	42.2 Å²	42.2	43%	0.427	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-35.8	173.9	83.7	0	0	0	0	111.8	Y192 F193 S200	Y192-S196 WeakPolarHBondContact O-CB 3.37Å; Y192-S196 PolarHBondContact O-N 2.85Å; F193-S196 WeakPolarHBondContact O-CB 3.48Å; F193-S196 PolarHBondContact O-N 3.45Å; F193-S196 VanDerWaalsContact O-N 3.16Å; F193-S196 PolarHBondContact O-OG 3.32Å; S196-S200 WeakPolarHBondContact O-CB 3.22Å; S196-S200 PolarHBondContact O-N 3.32Å; S196-S200 PolarHBondContact O-OG 2.9Å
197	M	92.1	Very high	91.5	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-55	172.5	-96.1	-170.3	169.1	0	0	111.8	L160 F161 F187 F193 N194 M195 I199 S200 Y201	L160-M197 HydrophobicContact CD1-CE 3.8Å; L160-M197 HydrophobicContact CD2-CE 4.31Å; L160-M197 HydrophobicContact CG-CE 3.96Å; F161-M197 HydrophobicContact CD1-CE 4.45Å; F161-M197 HydrophobicContact CE1-CE 4.18Å; F161-M197 HydrophobicContact CE1-SD 4.2Å; F187-M197 HydrophobicContact CD2-SD 3.75Å; F187-M197 HydrophobicContact CE1-SD 4.29Å; F187-M197 HydrophobicContact CE2-SD 3.52Å; F187-M197 VanDerWaalsContact CE2-SD 3.52Å; F187-M197 HydrophobicContact CG-SD 4.26Å; F187-M197 HydrophobicContact CZ-SD 3.81Å; F193-M197 HydrophobicContact CD1-SD 4.27Å; F193-M197 HydrophobicContact CE1-CE 3.55Å; F193-M197 HydrophobicContact CE1-CG 4.19Å; F193-M197 HydrophobicContact CE1-SD 3.68Å; F193-M197 HydrophobicContact CZ-CE 3.87Å; F193-M197 HydrophobicContact CZ-SD 4.5Å; F193-M197 PolarHBondContact O-N 2.85Å; N194-M197 VanDerWaalsContact O-CB 3.31Å; N194-M197 WeakPolarHBondContact O-CB 3.46Å; N194-M197 PolarHBondContact O-N 2.95Å; M195-M197 PolarHBondContact O-N 2.84Å; M197-I199 VanDerWaalsContact C-N 3.29Å; M197-I199 PolarHBondContact O-N 2.97Å; M197-S200 WeakPolarHBondContact CA-OG 3.31Å; M197-S200 PolarHBondContact O-N 3.27Å; M197-S200 PolarHBondContact O-OG 3.35Å; M197-Y201 HydrophobicContact CB-CD1 4.16Å; M197-Y201 HydrophobicContact CB-CE1 3.71Å; M197-Y201 HydrophobicContact CG-CD1 4.41Å; M197-Y201 HydrophobicContact CG-CE1 4.14Å; M197-Y201 WeakPolarHBondContact O-CD1 3.37Å; M197-Y201 WeakPolarHBondContact O-CE1 3.23Å; M197-Y201 PolarHBondContact O-N 2.96Å; M197-Y201 HydrophobicContact SD-CE1 4.46Å
198	Y	92.5	Very high	92	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.012	26%	0.259	C	S	.	.	I	π-helix	trans	-57.8	-40.4	178.3	-59.9	-23.5	0	0	0	112.6	N194 M195 Y202 W203 Y721 A724	N194-Y198 PolarHBondContact ND2-OH 2.67Å; N194-Y198 PolarHBondContact O-N 2.85Å; N194-Y198 WeakPolarHBondContact OD1-CE1 3.32Å; N194-Y198 PolarHBondContact OD1-OH 2.96Å; N194-Y198 VanDerWaalsContact OD1-OH 3.08Å; M195-Y198 HydrophobicContact CE-CE2 4.47Å; M195-Y198 PolarHBondContact O-N 2.97Å; M195-Y198 HydrophobicContact SD-CD2 3.92Å; M195-Y198 HydrophobicContact SD-CE2 4.36Å; Y198-Y202 WeakPolarHBondContact O-CB 3.41Å; Y198-Y202 PolarHBondContact O-N 3.23Å; Y198-Y202 VanDerWaalsContact O-N 3.16Å; Y198-W203 PolarHBondContact O-N 3.38Å; Y198-Y721 HydrophobicContact CD1-CD1 4.04Å; Y198-Y721 HydrophobicContact CD1-CE1 4.15Å; Y198-Y721 HydrophobicContact CG-CD1 4.36Å; Y198-A724 HydrophobicContact CE2-CB 3.71Å
199	I	92.8	Very high	92.3	Very high	105 Å²	105	47.5 Å²	47.5	54%	0.538	25%	0.25	S	S	.	.	I	π-helix	trans	-66.2	-47.8	177.3	-68.9	167.3	0	0	0	111.1	M195 M197 S204	M195-I199 WeakPolarHBondContact O-CB 3.42Å; M195-I199 VanDerWaalsContact O-CG1 3.25Å; M195-I199 WeakPolarHBondContact O-CG1 3.46Å; M195-I199 PolarHBondContact O-N 3.31Å; M197-I199 VanDerWaalsContact C-N 3.29Å; M197-I199 PolarHBondContact O-N 2.97Å; I199-S204 PolarHBondContact O-N 3.23Å
200	S	92.2	Very high	92.8	Very high	68 Å²	68	48.4 Å²	48.4	48%	0.476	25%	0.251	S	S	.	.	I	π-helix	trans	-68.7	-49	-174.4	57.8	0	0	0	0	112.9	S196 M197 S204	S196-S200 WeakPolarHBondContact O-CB 3.22Å; S196-S200 PolarHBondContact O-N 3.32Å; S196-S200 PolarHBondContact O-OG 2.9Å; M197-S200 WeakPolarHBondContact CA-OG 3.31Å; M197-S200 PolarHBondContact O-N 3.27Å; M197-S200 PolarHBondContact O-OG 3.35Å; S200-S204 WeakPolarHBondContact O-CB 3.25Å; S200-S204 PolarHBondContact O-OG 2.95Å
201	Y	93.3	Very high	93.2	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.02	25%	0.245	C	C	.	.	I	π-helix	trans	-93.7	-30.8	-173.8	71.1	-118.6	0	0	0	114.8	L114 F161 M197 T205 Y721	L114-Y201 HydrophobicContact CD1-CD2 3.92Å; L114-Y201 HydrophobicContact CD1-CG 4.1Å; L114-Y201 HydrophobicContact CD2-CG 4.2Å; F161-Y201 HydrophobicContact CE1-CE1 4.13Å; F161-Y201 HydrophobicContact CZ-CD1 4.19Å; F161-Y201 AromaticContact CZ-CE1 3.78Å; F161-Y201 HydrophobicContact CZ-CE1 3.78Å; M197-Y201 HydrophobicContact CB-CD1 4.16Å; M197-Y201 HydrophobicContact CB-CE1 3.71Å; M197-Y201 HydrophobicContact CG-CD1 4.41Å; M197-Y201 HydrophobicContact CG-CE1 4.14Å; M197-Y201 WeakPolarHBondContact O-CD1 3.37Å; M197-Y201 WeakPolarHBondContact O-CE1 3.23Å; M197-Y201 PolarHBondContact O-N 2.96Å; M197-Y201 HydrophobicContact SD-CE1 4.46Å; Y201-T205 VanDerWaalsContact O-CB 3.22Å; Y201-T205 WeakPolarHBondContact O-CB 3.39Å; Y201-T205 PolarHBondContact O-OG1 3.32Å; Y201-Y721 AromaticContact CE2-CE1 3.77Å; Y201-Y721 HydrophobicContact CE2-CE1 3.77Å; Y201-Y721 AromaticContact CE2-CZ 3.93Å
202	Y	94.3	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-99.2	-62.4	-179.5	-178.1	-103.2	0	0	0	113.1	Y198 S204 T205 L206 F713 W717 T718 Y721	Y198-Y202 WeakPolarHBondContact O-CB 3.41Å; Y198-Y202 PolarHBondContact O-N 3.23Å; Y198-Y202 VanDerWaalsContact O-N 3.16Å; Y202-S204 PolarHBondContact O-N 3.09Å; Y202-T205 WeakPolarHBondContact O-CB 3.32Å; Y202-T205 PolarHBondContact O-N 3.48Å; Y202-T205 VanDerWaalsContact O-N 3.17Å; Y202-L206 HydrophobicContact CE1-CD2 3.93Å; Y202-L206 WeakPolarHBondContact O-CB 3.26Å; Y202-L206 PolarHBondContact O-N 3.34Å; Y202-F713 HydrophobicContact CD2-CZ 4.27Å; Y202-F713 AromaticContact CE2-CE1 3.87Å; Y202-F713 HydrophobicContact CE2-CE1 3.87Å; Y202-F713 AromaticContact CE2-CZ 3.72Å; Y202-F713 HydrophobicContact CE2-CZ 3.72Å; Y202-W717 HydrophobicContact CE2-CB 3.74Å; Y202-T718 VanDerWaalsContact OH-CA 3.3Å; Y202-T718 WeakPolarHBondContact OH-CA 3.39Å; Y202-T718 PolarHBondContact OH-N 3.45Å; Y202-T718 PolarHBondContact OH-OG1 2.99Å; Y202-Y721 HydrophobicContact CD1-CD1 4.38Å; Y202-Y721 AromaticContact CD1-CD2 3.39Å; Y202-Y721 HydrophobicContact CD1-CD2 3.39Å; Y202-Y721 HydrophobicContact CD1-CE2 4.14Å; Y202-Y721 AromaticContact CD1-CG 3.53Å; Y202-Y721 HydrophobicContact CD1-CG 3.53Å; Y202-Y721 AromaticContact CD2-CD2 3.28Å; Y202-Y721 HydrophobicContact CD2-CD2 3.28Å; Y202-Y721 AromaticContact CD2-CE2 3.18Å; Y202-Y721 HydrophobicContact CD2-CE2 3.18Å; Y202-Y721 HydrophobicContact CD2-CG 4.15Å; Y202-Y721 AromaticContact CE1-CD2 3.57Å; Y202-Y721 HydrophobicContact CE1-CD2 3.57Å; Y202-Y721 HydrophobicContact CE1-CE2 4.47Å; Y202-Y721 AromaticContact CE1-CG 3.96Å; Y202-Y721 HydrophobicContact CE1-CG 3.96Å; Y202-Y721 AromaticContact CE2-CD2 3.45Å; Y202-Y721 HydrophobicContact CE2-CD2 3.45Å; Y202-Y721 VanDerWaalsContact CE2-CD2 3.45Å; Y202-Y721 AromaticContact CE2-CE2 3.6Å; Y202-Y721 HydrophobicContact CE2-CE2 3.6Å; Y202-Y721 HydrophobicContact CG-CD1 4.21Å; Y202-Y721 AromaticContact CG-CD2 3.24Å; Y202-Y721 HydrophobicContact CG-CD2 3.24Å; Y202-Y721 HydrophobicContact CG-CE1 4.45Å; Y202-Y721 AromaticContact CG-CE2 3.48Å; Y202-Y721 HydrophobicContact CG-CE2 3.48Å; Y202-Y721 VanDerWaalsContact CG-CE2 3.48Å; Y202-Y721 AromaticContact CG-CG 3.63Å; Y202-Y721 HydrophobicContact CG-CG 3.63Å; Y202-Y721 AromaticContact CZ-CD2 3.59Å
203	W	94.9	Very high	93.8	Very high	76 Å²	76	40.3 Å²	40.3	29%	0.288	21%	0.214	S	C	.	.	I	π-helix	trans	-64.3	-39.2	-171.9	-69.2	108.4	0	0	0	112.4	Y198 L206 I207 T718 V722	Y198-W203 PolarHBondContact O-N 3.38Å; W203-L206 HydrophobicContact CE3-CD2 4Å; W203-L206 HydrophobicContact CZ3-CD2 3.98Å; W203-L206 PolarHBondContact O-N 3.2Å; W203-I207 VanDerWaalsContact O-CG1 3.31Å; W203-I207 WeakPolarHBondContact O-CG1 3.31Å; W203-I207 PolarHBondContact O-N 2.84Å; W203-I207 VanDerWaalsContact O-N 3.09Å; W203-T718 HydrophobicContact CH2-CG2 4.3Å; W203-V722 HydrophobicContact CH2-CG2 3.69Å; W203-V722 HydrophobicContact CZ2-CG2 3.9Å
204	S	95.4	Very high	93.9	Very high	39 Å²	39	38.4 Å²	38.4	27%	0.273	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-46.2	173.8	91.6	0	0	0	0	111.8	I199 S200 Y202 L206 I207 V208	I199-S204 PolarHBondContact O-N 3.23Å; S200-S204 WeakPolarHBondContact O-CB 3.25Å; S200-S204 PolarHBondContact O-OG 2.95Å; Y202-S204 PolarHBondContact O-N 3.09Å; S204-L206 PolarHBondContact O-N 3.28Å; S204-I207 PolarHBondContact O-N 2.98Å; S204-V208 WeakPolarHBondContact O-CG2 3.48Å; S204-V208 PolarHBondContact O-N 3.13Å
205	T	95.7	Very high	94.2	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-44.5	177.7	-66.3	0	0	0	0	111.7	T117 L121 Y201 Y202 V208 M209	T117-T205 HydrophobicContact CG2-CG2 3.92Å; L121-T205 HydrophobicContact CB-CG2 4.22Å; L121-T205 HydrophobicContact CD2-CG2 4.2Å; Y201-T205 VanDerWaalsContact O-CB 3.22Å; Y201-T205 WeakPolarHBondContact O-CB 3.39Å; Y201-T205 PolarHBondContact O-OG1 3.32Å; Y202-T205 WeakPolarHBondContact O-CB 3.32Å; Y202-T205 PolarHBondContact O-N 3.48Å; Y202-T205 VanDerWaalsContact O-N 3.17Å; T205-V208 PolarHBondContact O-N 3.2Å; T205-M209 HydrophobicContact CG2-CE 3.69Å; T205-M209 HydrophobicContact CG2-CG 4.44Å; T205-M209 HydrophobicContact CG2-SD 4.34Å; T205-M209 WeakPolarHBondContact O-CG 3.48Å; T205-M209 PolarHBondContact O-N 3.35Å
206	L	95.3	Very high	94.3	Very high	13 Å²	13	38 Å²	38	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-45.6	176.7	175.4	58.4	0	0	0	111.7	Y202 W203 S204 V208 M209 I210 V714	Y202-L206 HydrophobicContact CE1-CD2 3.93Å; Y202-L206 WeakPolarHBondContact O-CB 3.26Å; Y202-L206 PolarHBondContact O-N 3.34Å; W203-L206 HydrophobicContact CE3-CD2 4Å; W203-L206 HydrophobicContact CZ3-CD2 3.98Å; W203-L206 PolarHBondContact O-N 3.2Å; S204-L206 PolarHBondContact O-N 3.28Å; L206-V208 PolarHBondContact O-N 3.33Å; L206-M209 PolarHBondContact O-N 2.87Å; L206-I210 HydrophobicContact CD1-CD1 3.84Å; L206-I210 HydrophobicContact CD1-CG1 4.25Å; L206-I210 HydrophobicContact CG-CD1 3.99Å; L206-I210 VanDerWaalsContact O-CG1 3.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.49Å; L206-I210 PolarHBondContact O-N 3Å; L206-V714 HydrophobicContact CD1-CG2 3.67Å
207	I	96.3	Very high	94.3	Very high	98 Å²	98	41.3 Å²	41.3	50%	0.503	22%	0.216	S	C	.	.	H	α-helix	trans	-60.9	-45.1	176.1	-68.7	165.2	0	0	0	110.5	W203 S204 I210 V211	W203-I207 VanDerWaalsContact O-CG1 3.31Å; W203-I207 WeakPolarHBondContact O-CG1 3.31Å; W203-I207 PolarHBondContact O-N 2.84Å; W203-I207 VanDerWaalsContact O-N 3.09Å; S204-I207 PolarHBondContact O-N 2.98Å; I207-I210 PolarHBondContact O-N 2.75Å; I207-V211 WeakPolarHBondContact O-CG2 3.33Å; I207-V211 PolarHBondContact O-N 3.03Å
208	V	96.9	Very high	94.3	Very high	58 Å²	58	44.7 Å²	44.7	35%	0.352	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-44.7	177.3	174.2	0	0	0	0	111.4	L121 S204 T205 L206 I210 V211 L212	L121-V208 HydrophobicContact CD1-CB 4.38Å; L121-V208 HydrophobicContact CD1-CG1 3.79Å; S204-V208 WeakPolarHBondContact O-CG2 3.48Å; S204-V208 PolarHBondContact O-N 3.13Å; T205-V208 PolarHBondContact O-N 3.2Å; L206-V208 PolarHBondContact O-N 3.33Å; V208-I210 VanDerWaalsContact C-N 3.35Å; V208-I210 PolarHBondContact O-N 3.05Å; V208-V211 PolarHBondContact O-N 3.39Å; V208-L212 HydrophobicContact CG1-CD1 3.74Å; V208-L212 HydrophobicContact CG1-CG 4.2Å; V208-L212 WeakPolarHBondContact O-CB 3.29Å; V208-L212 VanDerWaalsContact O-CG 3.23Å; V208-L212 WeakPolarHBondContact O-CG 3.44Å; V208-L212 PolarHBondContact O-N 3.47Å
209	M	94.7	Very high	94.2	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-45.3	174.6	-74.7	178.7	179.5	0	0	112	T117 V120 L121 T205 L206 L212 Y213 L710 F713	T117-M209 WeakPolarHBondContact O-CE 3.4Å; V120-M209 HydrophobicContact CB-CE 3.83Å; V120-M209 HydrophobicContact CG1-CE 3.71Å; V120-M209 HydrophobicContact CG1-SD 4.38Å; L121-M209 HydrophobicContact CB-CE 3.96Å; L121-M209 HydrophobicContact CD1-CG 4.06Å; T205-M209 HydrophobicContact CG2-CE 3.69Å; T205-M209 HydrophobicContact CG2-CG 4.44Å; T205-M209 HydrophobicContact CG2-SD 4.34Å; T205-M209 WeakPolarHBondContact O-CG 3.48Å; T205-M209 PolarHBondContact O-N 3.35Å; L206-M209 PolarHBondContact O-N 2.87Å; M209-L212 PolarHBondContact O-N 3.01Å; M209-Y213 VanDerWaalsContact O-CB 3.29Å; M209-Y213 WeakPolarHBondContact O-CB 3.46Å; M209-Y213 PolarHBondContact O-N 3.5Å; M209-L710 HydrophobicContact CB-CD2 4.21Å; M209-L710 HydrophobicContact CG-CD2 4.2Å; M209-L710 HydrophobicContact SD-CD2 3.81Å; M209-F713 HydrophobicContact CE-CD1 4.25Å; M209-F713 HydrophobicContact CE-CE1 3.89Å; M209-F713 HydrophobicContact CE-CE2 4.41Å; M209-F713 HydrophobicContact CE-CZ 3.99Å; M209-F713 HydrophobicContact SD-CD1 3.72Å; M209-F713 HydrophobicContact SD-CE1 3.58Å; M209-F713 VanDerWaalsContact SD-CE1 3.58Å; M209-F713 HydrophobicContact SD-CZ 4.29Å
210	I	95	Very high	94	Very high	97 Å²	97	41.1 Å²	41.1	50%	0.497	22%	0.215	S	C	.	.	H	α-helix	trans	-63.8	-45.3	178.9	-69.6	165.3	0	0	0	111	L206 I207 V208 Y213 A214	L206-I210 HydrophobicContact CD1-CD1 3.84Å; L206-I210 HydrophobicContact CD1-CG1 4.25Å; L206-I210 HydrophobicContact CG-CD1 3.99Å; L206-I210 VanDerWaalsContact O-CG1 3.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.49Å; L206-I210 PolarHBondContact O-N 3Å; I207-I210 PolarHBondContact O-N 2.75Å; V208-I210 VanDerWaalsContact C-N 3.35Å; V208-I210 PolarHBondContact O-N 3.05Å; I210-Y213 PolarHBondContact O-N 3.18Å; I210-A214 WeakPolarHBondContact O-CB 3.41Å; I210-A214 PolarHBondContact O-N 3.47Å
211	V	96.3	Very high	93.9	Very high	31 Å²	31	44 Å²	44	19%	0.188	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-43.2	178.1	168.1	0	0	0	0	111.5	I207 V208 A214 G215 F617 F621	I207-V211 WeakPolarHBondContact O-CG2 3.33Å; I207-V211 PolarHBondContact O-N 3.03Å; V208-V211 PolarHBondContact O-N 3.39Å; V211-A214 PolarHBondContact O-N 2.89Å; V211-G215 PolarHBondContact O-N 3.36Å; V211-F617 HydrophobicContact CG1-CE1 3.91Å; V211-F617 HydrophobicContact CG1-CZ 4.2Å; V211-F621 HydrophobicContact CG1-CD2 4.39Å; V211-F621 HydrophobicContact CG1-CE2 4Å
212	L	95.8	Very high	93.7	Very high	17 Å²	17	47 Å²	47	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-41.8	174.6	-70.6	170.3	0	0	0	111.7	L121 T124 I125 Y128 V208 M209 G215 I216	L121-L212 HydrophobicContact CD1-CD1 4.18Å; T124-L212 HydrophobicContact CG2-CB 3.74Å; T124-L212 HydrophobicContact CG2-CD1 4.16Å; I125-L212 HydrophobicContact CG1-CD1 3.53Å; Y128-L212 HydrophobicContact CD1-CD2 3.47Å; Y128-L212 VanDerWaalsContact CD1-CD2 3.47Å; Y128-L212 HydrophobicContact CE1-CD2 3.89Å; Y128-L212 HydrophobicContact CG-CD2 3.83Å; V208-L212 HydrophobicContact CG1-CD1 3.74Å; V208-L212 HydrophobicContact CG1-CG 4.2Å; V208-L212 WeakPolarHBondContact O-CB 3.29Å; V208-L212 VanDerWaalsContact O-CG 3.23Å; V208-L212 WeakPolarHBondContact O-CG 3.44Å; V208-L212 PolarHBondContact O-N 3.47Å; M209-L212 PolarHBondContact O-N 3.01Å; L212-G215 CarbonylContact O-C 3.49Å; L212-G215 WeakPolarHBondContact O-CA 3.18Å; L212-G215 PolarHBondContact O-N 2.86Å; L212-G215 VanDerWaalsContact O-N 3.11Å; L212-I216 WeakPolarHBondContact O-CG1 3.5Å; L212-I216 PolarHBondContact O-N 3.39Å
213	Y	93.7	Very high	93.3	Very high	70 Å²	70	51.1 Å²	51.1	28%	0.275	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-41.5	176.6	-179.5	-105.2	0	0	0	112.3	M209 I210 G215 I216 Y217 I706 T707 L710	M209-Y213 VanDerWaalsContact O-CB 3.29Å; M209-Y213 WeakPolarHBondContact O-CB 3.46Å; M209-Y213 PolarHBondContact O-N 3.5Å; I210-Y213 PolarHBondContact O-N 3.18Å; Y213-G215 VanDerWaalsContact C-N 3.26Å; Y213-G215 PolarHBondContact O-N 3.01Å; Y213-I216 PolarHBondContact O-N 2.91Å; Y213-Y217 WeakPolarHBondContact O-CB 3.48Å; Y213-Y217 PolarHBondContact O-N 2.87Å; Y213-I706 HydrophobicContact CD2-CG2 3.94Å; Y213-I706 HydrophobicContact CE2-CG2 4.26Å; Y213-T707 PolarHBondContact OH-OG1 2.9Å; Y213-T707 VanDerWaalsContact OH-OG1 3.11Å; Y213-L710 HydrophobicContact CD2-CD1 3.78Å; Y213-L710 HydrophobicContact CG-CD1 3.99Å
214	A	94.1	Very high	92.9	Very high	31 Å²	31	50.2 Å²	50.2	26%	0.256	25%	0.253	S	S	.	.	H	α-helix	trans	-62.7	-33.3	170.7	0	0	0	0	0	112.2	I210 V211 R218 F621	I210-A214 WeakPolarHBondContact O-CB 3.41Å; I210-A214 PolarHBondContact O-N 3.47Å; V211-A214 PolarHBondContact O-N 2.89Å; A214-R218 WeakPolarHBondContact O-CB 3.49Å; A214-R218 WeakPolarHBondContact O-CG 3.4Å; A214-R218 PolarHBondContact O-N 3.33Å; A214-R218 VanDerWaalsContact O-N 3.1Å; A214-R218 PolarHBondContact O-NE 3.35Å; A214-F621 HydrophobicContact CB-CZ 4.26Å
215	G	94.3	Very high	92.6	Very high	10 Å²	10	52.4 Å²	52.4	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-52.2	169.2	0	0	0	0	0	112.9	V211 L212 Y213 Y217 R218 A219	V211-G215 PolarHBondContact O-N 3.36Å; L212-G215 CarbonylContact O-C 3.49Å; L212-G215 WeakPolarHBondContact O-CA 3.18Å; L212-G215 PolarHBondContact O-N 2.86Å; L212-G215 VanDerWaalsContact O-N 3.11Å; Y213-G215 VanDerWaalsContact C-N 3.26Å; Y213-G215 PolarHBondContact O-N 3.01Å; G215-Y217 VanDerWaalsContact C-N 3.35Å; G215-Y217 PolarHBondContact O-N 3.24Å; G215-R218 PolarHBondContact O-N 2.99Å; G215-A219 WeakPolarHBondContact O-CB 3.37Å; G215-A219 PolarHBondContact O-N 3.43Å
216	I	92.6	Very high	92.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54.8	-49.2	176	-73.2	162.2	0	0	0	110.6	T124 R127 Y128 L212 Y213 A219 A220 L703	T124-I216 HydrophobicContact CG2-CD1 4.11Å; R127-I216 HydrophobicContact CB-CD1 4.14Å; Y128-I216 HydrophobicContact CD2-CG1 4.14Å; Y128-I216 HydrophobicContact CG-CG1 4.45Å; L212-I216 WeakPolarHBondContact O-CG1 3.5Å; L212-I216 PolarHBondContact O-N 3.39Å; Y213-I216 PolarHBondContact O-N 2.91Å; I216-A219 PolarHBondContact O-N 2.95Å; I216-A220 VanDerWaalsContact O-CB 3.3Å; I216-A220 WeakPolarHBondContact O-CB 3.4Å; I216-A220 PolarHBondContact O-N 3.06Å; I216-L703 HydrophobicContact CG2-CD2 3.35Å
217	Y	91.7	Very high	91.7	Very high	131 Å²	131	57.2 Å²	57.2	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-47	-179.5	179.7	-99.2	0	0	0	111.9	Y213 G215 R221	Y213-Y217 WeakPolarHBondContact O-CB 3.48Å; Y213-Y217 PolarHBondContact O-N 2.87Å; G215-Y217 VanDerWaalsContact C-N 3.35Å; G215-Y217 PolarHBondContact O-N 3.24Å; Y217-R221 VanDerWaalsContact O-CB 3.24Å; Y217-R221 WeakPolarHBondContact O-CB 3.39Å; Y217-R221 PolarHBondContact O-N 3.22Å
218	R	92.8	Very high	91.2	Very high	77 Å²	77	59.2 Å²	59.2	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-45	177.4	-75.1	-175.2	-66.4	-172.8	0.8	112.1	A214 G215 R221 D222	A214-R218 WeakPolarHBondContact O-CB 3.49Å; A214-R218 WeakPolarHBondContact O-CG 3.4Å; A214-R218 PolarHBondContact O-N 3.33Å; A214-R218 VanDerWaalsContact O-N 3.1Å; A214-R218 PolarHBondContact O-NE 3.35Å; G215-R218 PolarHBondContact O-N 2.99Å; R218-R221 PolarHBondContact O-N 3.47Å; R218-D222 WeakPolarHBondContact O-CB 3.42Å; R218-D222 PolarHBondContact O-N 2.94Å
219	A	91	Very high	90.9	Very high	23 Å²	23	61.7 Å²	61.7	19%	0.19	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-41.3	178.9	0	0	0	0	0	112.5	V131 G215 I216 D222 L223	V131-A219 HydrophobicContact CG1-CB 3.8Å; G215-A219 WeakPolarHBondContact O-CB 3.37Å; G215-A219 PolarHBondContact O-N 3.43Å; I216-A219 PolarHBondContact O-N 2.95Å; A219-D222 PolarHBondContact O-N 2.73Å; A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 2.98Å
220	A	88.4	Confident	90.4	Very high	11 Å²	11	68.3 Å²	68.3	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-71.6	-31.5	176	0	0	0	0	0	113	V131 I216 H224 L703	V131-A220 HydrophobicContact CG1-CB 4.21Å; I216-A220 VanDerWaalsContact O-CB 3.3Å; I216-A220 WeakPolarHBondContact O-CB 3.4Å; I216-A220 PolarHBondContact O-N 3.06Å; A220-H224 WeakPolarHBondContact O-CB 3.42Å; A220-H224 PolarHBondContact O-N 3.03Å; A220-L703 HydrophobicContact CB-CD1 3.79Å; A220-L703 HydrophobicContact CB-CD2 4.03Å; A220-L703 HydrophobicContact CB-CG 4.28Å
221	R	89.5	Confident	89.8	Confident	128 Å²	128	68.3 Å²	68.3	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-48.5	171.2	-172.1	-172.2	77.2	-160.8	5.5	110.8	Y217 R218 H224 L225	Y217-R221 VanDerWaalsContact O-CB 3.24Å; Y217-R221 WeakPolarHBondContact O-CB 3.39Å; Y217-R221 PolarHBondContact O-N 3.22Å; R218-R221 PolarHBondContact O-N 3.47Å; R221-H224 PolarHBondContact O-N 3.03Å; R221-L225 HydrophobicContact CG-CD1 4.25Å; R221-L225 WeakPolarHBondContact O-CG 3.14Å; R221-L225 PolarHBondContact O-N 3.48Å
222	D	88.9	Confident	89.5	Confident	67 Å²	67	72.7 Å²	72.7	36%	0.358	33%	0.333	S	S	.	.	H	α-helix	trans	-57.9	-48.9	175.2	174.1	64.5	0	0	0	111.9	R218 A219 H224 L225 K226	R218-D222 WeakPolarHBondContact O-CB 3.42Å; R218-D222 PolarHBondContact O-N 2.94Å; A219-D222 PolarHBondContact O-N 2.73Å; D222-H224 VanDerWaalsContact C-N 3.26Å; D222-H224 PolarHBondContact O-N 3.49Å; D222-L225 PolarHBondContact O-N 3.25Å; D222-L225 VanDerWaalsContact O-N 3.11Å; D222-K226 WeakPolarHBondContact O-CB 3.26Å; D222-K226 WeakPolarHBondContact O-CG 3.33Å; D222-K226 PolarHBondContact O-N 3.1Å; D222-K226 WeakPolarHBondContact OD1-CE 3.12Å; D222-K226 IonicContact OD1-NZ 2.74Å; D222-K226 PolarHBondContact OD1-NZ 3.11Å; D222-K226 WeakPolarHBondContact OD2-CD 3.29Å; D222-K226 WeakPolarHBondContact OD2-CE 3.47Å; D222-K226 IonicContact OD2-NZ 3.11Å; D222-K226 PolarHBondContact OD2-NZ 3.16Å
223	L	86	Confident	89.1	Confident	87 Å²	87	77.8 Å²	77.8	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-38.6	175.9	-178.6	62.6	0	0	0	112.6	A219 S227	A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 2.98Å; L223-S227 WeakPolarHBondContact O-CB 3.26Å; L223-S227 PolarHBondContact O-N 3.2Å
224	H	85.6	Confident	88.8	Confident	58 Å²	58	77.4 Å²	77.4	27%	0.269	36%	0.356	S	S	.	.	H	α-helix	trans	-76.8	-28.4	177.7	173.7	-131.6	0	0	0	113.4	A220 R221 D222 S227 R228	A220-H224 WeakPolarHBondContact O-CB 3.42Å; A220-H224 PolarHBondContact O-N 3.03Å; R221-H224 PolarHBondContact O-N 3.03Å; D222-H224 VanDerWaalsContact C-N 3.26Å; D222-H224 PolarHBondContact O-N 3.49Å; H224-S227 PolarHBondContact O-OG 3.29Å; H224-R228 PolarHBondContact CE1-NE 3.02Å; H224-R228 VanDerWaalsContact CE1-NE 3.28Å; H224-R228 PolarHBondContact CE1-NH2 3.44Å; H224-R228 VanDerWaalsContact CE1-NH2 3.28Å; H224-R228 PolarHBondContact NE2-NE 3.29Å; H224-R228 PolarHBondContact NE2-NH2 3.4Å; H224-R228 WeakPolarHBondContact O-CB 3.29Å; H224-R228 VanDerWaalsContact O-CG 3.22Å; H224-R228 WeakPolarHBondContact O-CG 3.48Å; H224-R228 PolarHBondContact O-N 2.85Å; H224-R228 VanDerWaalsContact O-N 3.12Å
225	L	89.6	Confident	88.5	Confident	84 Å²	84	80.5 Å²	80.5	44%	0.44	37%	0.365	S	S	.	.	H	α-helix	trans	-70.8	-46.3	169.9	-70.4	168.9	0	0	0	110.4	R221 D222 S227 R228 Q229	R221-L225 HydrophobicContact CG-CD1 4.25Å; R221-L225 WeakPolarHBondContact O-CG 3.14Å; R221-L225 PolarHBondContact O-N 3.48Å; D222-L225 PolarHBondContact O-N 3.25Å; D222-L225 VanDerWaalsContact O-N 3.11Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.15Å; L225-R228 WeakPolarHBondContact O-CB 3.25Å; L225-R228 PolarHBondContact O-N 3.14Å; L225-Q229 WeakPolarHBondContact O-CG 3.42Å; L225-Q229 PolarHBondContact O-N 2.9Å
226	K	88.7	Confident	88.3	Confident	101 Å²	101	82.5 Å²	82.5	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-34.6	175	-72.3	170	177.8	160.6	0	112.5	D222 K230	D222-K226 WeakPolarHBondContact O-CB 3.26Å; D222-K226 WeakPolarHBondContact O-CG 3.33Å; D222-K226 PolarHBondContact O-N 3.1Å; D222-K226 WeakPolarHBondContact OD1-CE 3.12Å; D222-K226 IonicContact OD1-NZ 2.74Å; D222-K226 PolarHBondContact OD1-NZ 3.11Å; D222-K226 WeakPolarHBondContact OD2-CD 3.29Å; D222-K226 WeakPolarHBondContact OD2-CE 3.47Å; D222-K226 IonicContact OD2-NZ 3.11Å; D222-K226 PolarHBondContact OD2-NZ 3.16Å; K226-K230 WeakPolarHBondContact O-CB 3.45Å; K226-K230 WeakPolarHBondContact O-CG 3.34Å; K226-K230 PolarHBondContact O-N 3.47Å
227	S	83.6	Confident	88	Confident	20 Å²	20	86.4 Å²	86.4	14%	0.14	40%	0.401	C	S	.	.	H	α-helix	trans	-68.9	-38.4	172.9	81.3	0	0	0	0	112.2	L223 H224 L225 R231 E696	L223-S227 WeakPolarHBondContact O-CB 3.26Å; L223-S227 PolarHBondContact O-N 3.2Å; H224-S227 PolarHBondContact O-OG 3.29Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.15Å; S227-R231 WeakPolarHBondContact O-CB 3.4Å; S227-R231 PolarHBondContact O-N 3.08Å; S227-E696 WeakPolarHBondContact CB-OE2 3.32Å; S227-E696 PolarHBondContact OG-OE2 2.99Å
228	R	86	Confident	87.9	Confident	140 Å²	140	82.5 Å²	82.5	53%	0.528	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-49.2	172.6	-76.4	170.7	176.7	-137.5	-2.3	112	H224 L225 R231 Q232	H224-R228 PolarHBondContact CE1-NE 3.02Å; H224-R228 VanDerWaalsContact CE1-NE 3.28Å; H224-R228 PolarHBondContact CE1-NH2 3.44Å; H224-R228 VanDerWaalsContact CE1-NH2 3.28Å; H224-R228 PolarHBondContact NE2-NE 3.29Å; H224-R228 PolarHBondContact NE2-NH2 3.4Å; H224-R228 WeakPolarHBondContact O-CB 3.29Å; H224-R228 VanDerWaalsContact O-CG 3.22Å; H224-R228 WeakPolarHBondContact O-CG 3.48Å; H224-R228 PolarHBondContact O-N 2.85Å; H224-R228 VanDerWaalsContact O-N 3.12Å; L225-R228 WeakPolarHBondContact O-CB 3.25Å; L225-R228 PolarHBondContact O-N 3.14Å; R228-R231 CarbonylContact O-C 3.58Å; R228-R231 PolarHBondContact O-N 3.44Å; R228-R231 VanDerWaalsContact O-N 3.17Å; R228-Q232 WeakPolarHBondContact O-CG 3.36Å; R228-Q232 PolarHBondContact O-N 3.02Å; R228-Q232 PolarHBondContact O-OE1 3.49Å
229	Q	89.8	Confident	87.7	Confident	109 Å²	109	81.5 Å²	81.5	51%	0.509	40%	0.4	S	S	.	.	H	α-helix	trans	-57.3	-51.9	177.3	-73.2	170.5	-27.9	0	0	111.8	L225 R231 Q232 Q233	L225-Q229 WeakPolarHBondContact O-CG 3.42Å; L225-Q229 PolarHBondContact O-N 2.9Å; Q229-R231 VanDerWaalsContact C-N 3.26Å; Q229-R231 PolarHBondContact O-N 2.96Å; Q229-Q232 PolarHBondContact O-N 3.37Å; Q229-Q232 VanDerWaalsContact O-N 3.14Å; Q229-Q233 WeakPolarHBondContact O-CG 3.26Å; Q229-Q233 PolarHBondContact O-N 3.11Å
230	K	85.9	Confident	87.5	Confident	142 Å²	142	86 Å²	86	62%	0.617	42%	0.42	S	S	*	.	H	α-helix	trans	-61	-34.2	177.3	-72.8	-178.4	177	-176.5	0	112.6	K226 F234	K226-K230 WeakPolarHBondContact O-CB 3.45Å; K226-K230 WeakPolarHBondContact O-CG 3.34Å; K226-K230 PolarHBondContact O-N 3.47Å; K230-F234 WeakPolarHBondContact O-CB 3.48Å; K230-F234 PolarHBondContact O-N 2.92Å
231	R	82.3	Confident	87.1	Confident	98 Å²	98	94 Å²	94	37%	0.37	45%	0.448	S	S	.	.	H	α-helix	trans	-71.2	-40	174.7	-176	176.6	175.9	-139.5	-9.1	112.3	S227 R228 Q229 F234 Q235 Y690	S227-R231 WeakPolarHBondContact O-CB 3.4Å; S227-R231 PolarHBondContact O-N 3.08Å; R228-R231 CarbonylContact O-C 3.58Å; R228-R231 PolarHBondContact O-N 3.44Å; R228-R231 VanDerWaalsContact O-N 3.17Å; Q229-R231 VanDerWaalsContact C-N 3.26Å; Q229-R231 PolarHBondContact O-N 2.96Å; R231-F234 PolarHBondContact O-N 3.5Å; R231-Q235 WeakPolarHBondContact O-CB 3.24Å; R231-Q235 VanDerWaalsContact O-CG 3.26Å; R231-Q235 WeakPolarHBondContact O-CG 3.37Å; R231-Q235 PolarHBondContact O-N 2.94Å; R231-Y690 HydrophobicContact CB-CD1 4.22Å; R231-Y690 HydrophobicContact CB-CE1 3.95Å; R231-Y690 HydrophobicContact CG-CD1 3.65Å; R231-Y690 HydrophobicContact CG-CE1 3.86Å; R231-Y690 HydrophobicContact CG-CG 4.15Å
232	Q	88.5	Confident	86.6	Confident	123 Å²	123	91.3 Å²	91.3	58%	0.575	45%	0.453	S	S	*	.	H	α-helix	trans	-64.2	-45.7	174.6	-73.8	167.3	-65.3	0	0	111.1	R228 Q229 F234 Q235 A236	R228-Q232 WeakPolarHBondContact O-CG 3.36Å; R228-Q232 PolarHBondContact O-N 3.02Å; R228-Q232 PolarHBondContact O-OE1 3.49Å; Q229-Q232 PolarHBondContact O-N 3.37Å; Q229-Q232 VanDerWaalsContact O-N 3.14Å; Q232-F234 PolarHBondContact O-N 3.47Å; Q232-Q235 PolarHBondContact O-N 3.42Å; Q232-A236 WeakPolarHBondContact O-CB 3.35Å; Q232-A236 PolarHBondContact O-N 3.37Å
233	Q	88.6	Confident	85.7	Confident	123 Å²	123	93.6 Å²	93.6	58%	0.575	47%	0.47	S	S	*	.	H	α-helix	trans	-56.3	-47.5	173	-72.2	171.3	-21.5	0	0	111.7	Q229 Q235 A236 I237	Q229-Q233 WeakPolarHBondContact O-CG 3.26Å; Q229-Q233 PolarHBondContact O-N 3.11Å; Q233-Q235 PolarHBondContact O-N 3.1Å; Q233-A236 PolarHBondContact O-N 2.87Å; Q233-I237 VanDerWaalsContact O-CG1 3.31Å; Q233-I237 WeakPolarHBondContact O-CG1 3.32Å; Q233-I237 PolarHBondContact O-N 3.48Å
234	F	87.4	Confident	84.4	Confident	62 Å²	62	94.3 Å²	94.3	27%	0.272	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-43.1	175.8	-176	-85.8	0	0	0	112.4	K230 R231 Q232 A236 I237 C238 I688 Y690	K230-F234 WeakPolarHBondContact O-CB 3.48Å; K230-F234 PolarHBondContact O-N 2.92Å; R231-F234 PolarHBondContact O-N 3.5Å; Q232-F234 PolarHBondContact O-N 3.47Å; F234-A236 PolarHBondContact O-N 3.3Å; F234-I237 PolarHBondContact O-N 3.33Å; F234-C238 WeakPolarHBondContact CE1-SG 3.11Å; F234-C238 PolarHBondContact O-N 2.91Å; F234-C238 PolarHBondContact O-SG 3.21Å; F234-I688 VanDerWaalsContact CE1-O 3.3Å; F234-I688 WeakPolarHBondContact CE1-O 3.17Å; F234-I688 HydrophobicContact CZ-CB 4.19Å; F234-I688 HydrophobicContact CZ-CG2 3.86Å; F234-I688 WeakPolarHBondContact CZ-O 3.43Å; F234-Y690 HydrophobicContact CB-CD2 4.27Å; F234-Y690 AromaticContact CD1-CD2 3.99Å; F234-Y690 HydrophobicContact CD1-CD2 3.99Å; F234-Y690 HydrophobicContact CD1-CG 4.3Å; F234-Y690 HydrophobicContact CD2-CD2 4.39Å; F234-Y690 HydrophobicContact CE1-CD2 4.47Å; F234-Y690 AromaticContact CG-CD2 3.95Å; F234-Y690 HydrophobicContact CG-CD2 3.95Å
235	Q	87.7	Confident	82.7	Confident	97 Å²	97	96.4 Å²	96.4	45%	0.453	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-38	177.5	-73.8	179.9	-84.8	0	0	112.3	R231 Q232 Q233 C238 A239	R231-Q235 WeakPolarHBondContact O-CB 3.24Å; R231-Q235 VanDerWaalsContact O-CG 3.26Å; R231-Q235 WeakPolarHBondContact O-CG 3.37Å; R231-Q235 PolarHBondContact O-N 2.94Å; Q232-Q235 PolarHBondContact O-N 3.42Å; Q233-Q235 PolarHBondContact O-N 3.1Å; Q235-C238 PolarHBondContact O-N 3.25Å; Q235-A239 WeakPolarHBondContact O-CB 3.08Å; Q235-A239 PolarHBondContact O-N 3.43Å
236	A	89	Confident	80.5	Confident	51 Å²	51	97 Å²	97	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-64.8	-45.8	174.1	0	0	0	0	0	111.9	Q232 Q233 F234 C238 A239 L240	Q232-A236 WeakPolarHBondContact O-CB 3.35Å; Q232-A236 PolarHBondContact O-N 3.37Å; Q233-A236 PolarHBondContact O-N 2.87Å; F234-A236 PolarHBondContact O-N 3.3Å; A236-C238 VanDerWaalsContact C-N 3.29Å; A236-C238 PolarHBondContact O-N 3.13Å; A236-A239 PolarHBondContact O-N 3Å; A236-A239 VanDerWaalsContact O-N 3.13Å; A236-L240 WeakPolarHBondContact O-CG 3.29Å; A236-L240 PolarHBondContact O-N 3.31Å
237	I	87.9	Confident	78.1	Confident	83 Å²	83	99.5 Å²	99.5	43%	0.426	52%	0.521	S	S	.	.	H	α-helix	trans	-61.1	-37.9	176	-67.6	163.8	0	0	0	111.4	Q233 F234 R241	Q233-I237 VanDerWaalsContact O-CG1 3.31Å; Q233-I237 WeakPolarHBondContact O-CG1 3.32Å; Q233-I237 PolarHBondContact O-N 3.48Å; F234-I237 PolarHBondContact O-N 3.33Å; I237-R241 WeakPolarHBondContact O-CB 3.42Å; I237-R241 WeakPolarHBondContact O-CG 3.43Å; I237-R241 PolarHBondContact O-N 3.35Å
238	C	89.1	Confident	76.1	Confident	49 Å²	49	104.2 Å²	104.2	33%	0.331	55%	0.549	S	S	.	.	H	α-helix	trans	-68.9	-38.1	173.4	-75.5	0	0	0	0	113.1	F234 Q235 A236 A242	F234-C238 WeakPolarHBondContact CE1-SG 3.11Å; F234-C238 PolarHBondContact O-N 2.91Å; F234-C238 PolarHBondContact O-SG 3.21Å; Q235-C238 PolarHBondContact O-N 3.25Å; A236-C238 VanDerWaalsContact C-N 3.29Å; A236-C238 PolarHBondContact O-N 3.13Å; C238-A242 PolarHBondContact O-N 3.06Å; C238-A242 VanDerWaalsContact O-N 3.12Å
239	A	87.7	Confident	73.8	Confident	55 Å²	55	104.5 Å²	104.5	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-66.6	-47.8	177.1	0	0	0	0	0	111.5	Q235 A236 R241 A242 T243	Q235-A239 WeakPolarHBondContact O-CB 3.08Å; Q235-A239 PolarHBondContact O-N 3.43Å; A236-A239 PolarHBondContact O-N 3Å; A236-A239 VanDerWaalsContact O-N 3.13Å; A239-R241 VanDerWaalsContact C-N 3.31Å; A239-R241 PolarHBondContact O-N 3.17Å; A239-A242 WeakPolarHBondContact O-CB 3.44Å; A239-A242 PolarHBondContact O-N 3.08Å; A239-T243 PolarHBondContact O-N 2.91Å; A239-T243 PolarHBondContact O-OG1 3.44Å
240	L	86.9	Confident	71.2	Confident	117 Å²	117	106.9 Å²	106.9	61%	0.613	57%	0.569	S	S	*	*	H	α-helix	trans	-54.4	-46.8	175.2	-71.6	166.8	0	0	0	111.4	A236 A242 T243 T244	A236-L240 WeakPolarHBondContact O-CG 3.29Å; A236-L240 PolarHBondContact O-N 3.31Å; L240-A242 VanDerWaalsContact C-N 3.29Å; L240-A242 PolarHBondContact O-N 2.76Å; L240-T243 PolarHBondContact O-N 2.86Å; L240-T244 PolarHBondContact O-N 3.26Å; L240-T244 PolarHBondContact O-OG1 3.24Å
241	R	81	Confident	69	Low	181 Å²	181	105.5 Å²	105.5	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-65.5	-25.6	176.9	-76.1	177.8	176.9	159.1	0.2	114.8	I237 A239 T244	I237-R241 WeakPolarHBondContact O-CB 3.42Å; I237-R241 WeakPolarHBondContact O-CG 3.43Å; I237-R241 PolarHBondContact O-N 3.35Å; A239-R241 VanDerWaalsContact C-N 3.31Å; A239-R241 PolarHBondContact O-N 3.17Å; R241-T244 WeakPolarHBondContact CA-OG1 3.46Å
242	A	77.8	Confident	66.9	Low	71 Å²	71	105.1 Å²	105.1	59%	0.587	59%	0.585	S	S	*	*	H	α-helix	trans	-78.6	-31	174.4	0	0	0	0	0	111.9	C238 A239 L240	C238-A242 PolarHBondContact O-N 3.06Å; C238-A242 VanDerWaalsContact O-N 3.12Å; A239-A242 WeakPolarHBondContact O-CB 3.44Å; A239-A242 PolarHBondContact O-N 3.08Å; L240-A242 VanDerWaalsContact C-N 3.29Å; L240-A242 PolarHBondContact O-N 2.76Å
243	T	71.1	Confident	64.7	Low	115 Å²	115	103.1 Å²	103.1	71%	0.706	58%	0.584	S	S	*	*	H	α-helix	trans	-73.7	-37.9	171.9	-50.1	0	0	0	0	111.6	A239 L240 T245	A239-T243 PolarHBondContact O-N 2.91Å; A239-T243 PolarHBondContact O-OG1 3.44Å; L240-T243 PolarHBondContact O-N 2.86Å; T243-T245 PolarHBondContact O-N 3.47Å
244	T	59	Low	62.4	Low	101 Å²	101	103.6 Å²	103.6	62%	0.62	59%	0.59	S	S	*	*			trans	-82.5	58.1	172.3	66.3	0	0	0	0	111.9	L240 R241	L240-T244 PolarHBondContact O-N 3.26Å; L240-T244 PolarHBondContact O-OG1 3.24Å; R241-T244 WeakPolarHBondContact CA-OG1 3.46Å
245	T	48.9	Very low	60.1	Low	103 Å²	103	109.4 Å²	109.4	63%	0.632	62%	0.615	S	S	*	*			trans	-61.7	150.9	149.1	40	0	0	0	0	108.8	T243 L247	T243-T245 PolarHBondContact O-N 3.47Å; T245-L247 PolarHBondContact O-N 2.97Å; T245-L247 VanDerWaalsContact O-N 3.09Å
246	P	42.6	Very low	57.8	Low	95 Å²	95	113 Å²	113	62%	0.617	63%	0.632	S	S	*	*			trans	-71.1	114.8	-166.1	-16.1	30.3	0	0	0	111.9	T248	P246-T248 VanDerWaalsContact CB-OG1 3.26Å; P246-T248 WeakPolarHBondContact CB-OG1 3.33Å; P246-T248 PolarHBondContact O-N 3.04Å
247	L	38.3	Very low	55.4	Low	154 Å²	154	118.5 Å²	118.5	81%	0.806	65%	0.649	S	S	*	*	S	Bend	trans	-63.1	-13.3	162.3	-91.6	157	0	0	0	112	T245 L249 K250	T245-L247 PolarHBondContact O-N 2.97Å; T245-L247 VanDerWaalsContact O-N 3.09Å; L247-L249 PolarHBondContact O-N 2.85Å; L247-K250 PolarHBondContact O-N 3.43Å
248	T	42.5	Very low	53.1	Low	119 Å²	119	123.4 Å²	123.4	73%	0.73	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	45.9	168.3	65.7	0	0	0	0	112.8	P246	P246-T248 VanDerWaalsContact CB-OG1 3.26Å; P246-T248 WeakPolarHBondContact CB-OG1 3.33Å; P246-T248 PolarHBondContact O-N 3.04Å
249	L	37.4	Very low	50.6	Low	146 Å²	146	130.7 Å²	130.7	76%	0.764	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.6	36.8	165.4	-131.3	169.4	0	0	0	111.5	L247	L247-L249 PolarHBondContact O-N 2.85Å
250	K	36.4	Very low	48	Very low	159 Å²	159	137.5 Å²	137.5	69%	0.691	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.6	-10.5	166	-115.7	-178.7	-179.3	-169.5	0	115.5	L247 S252	L247-K250 PolarHBondContact O-N 3.43Å; K250-S252 PolarHBondContact O-N 3.37Å
251	T	38.6	Very low	45.4	Very low	114 Å²	114	141.1 Å²	141.1	70%	0.699	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	6.3	175.8	-17.3	0	0	0	0	114.4
252	S	39.1	Very low	43.2	Very low	90 Å²	90	140.1 Å²	140.1	63%	0.629	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	32.4	176.4	63.2	0	0	0	0	111.4	K250	K250-S252 PolarHBondContact O-N 3.37Å
253	S	42.4	Very low	41.3	Very low	80 Å²	80	141.7 Å²	141.7	56%	0.559	75%	0.751	S	S	*	*	S	Bend	trans	-153.2	23.5	-178.2	-48.3	0	0	0	0	111.9
254	L	40.3	Very low	39.7	Very low	133 Å²	133	146 Å²	146	70%	0.696	76%	0.763	S	S	*	*	S	Bend	trans	-147.6	39.4	179.8	-69.1	176.1	0	0	0	109.5
255	K	38.8	Very low	38.6	Very low	184 Å²	184	145.8 Å²	145.8	80%	0.8	77%	0.771	S	S	*	*	S	Bend	trans	-150.6	20.5	-179.5	-83.5	-146.4	166.1	-144.3	0	112.7
256	E	38.8	Very low	38	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	78%	0.777	S	S	*	*	S	Bend	trans	-127	20.2	-179.5	-64.1	178.8	147.5	0	0	110.5
257	E	39.4	Very low	37.9	Very low	166 Å²	166	148.1 Å²	148.1	78%	0.776	79%	0.788	S	S	*	*	S	Bend	trans	-128	12.4	-174.8	-64.5	-176.9	136.2	0	0	113.3
258	E	38.8	Very low	37.7	Very low	187 Å²	187	148 Å²	148	87%	0.874	79%	0.788	S	S	*	*	S	Bend	trans	-130.6	11.3	-175.8	-73.3	-172.3	137.3	0	0	115.2
259	E	37.3	Very low	37.6	Very low	201 Å²	201	149.9 Å²	149.9	94%	0.939	79%	0.793	S	S	*	*	S	Bend	trans	-121.3	20.6	178.8	-70.6	-169.1	151.7	0	0	114.2
260	E	32.4	Very low	37.5	Very low	199 Å²	199	147.5 Å²	147.5	93%	0.93	79%	0.789	S	S	*	*			trans	-112.7	41.6	-177.7	-156.5	173.1	-136	0	0	113.9
261	E	31.8	Very low	37.6	Very low	193 Å²	193	145.3 Å²	145.3	90%	0.902	79%	0.794	S	S	*	*	S	Bend	trans	-144.3	49.5	174.4	-153.4	173.8	-140.6	0	0	115.5
262	D	34.7	Very low	37.6	Very low	159 Å²	159	144.6 Å²	144.6	85%	0.85	80%	0.799	S	S	*	*	S	Bend	trans	-155.4	170.1	153.8	-149	-17.3	0	0	0	112.4
263	S	38.2	Very low	37.5	Very low	105 Å²	105	147.7 Å²	147.7	73%	0.734	80%	0.804	S	S	*	*			trans	74.8	55.1	170.3	-57.4	0	0	0	0	118.3	A265	S263-A265 PolarHBondContact O-N 3.47Å
264	Q	37.6	Very low	37.4	Very low	206 Å²	206	152.9 Å²	152.9	96%	0.963	82%	0.816	S	S	*	*			trans	-70.8	101.4	153.2	-77.6	-170	-7	0	0	111.4
265	A	36.3	Very low	37.3	Very low	95 Å²	95	150.9 Å²	150.9	79%	0.785	82%	0.819	S	S	*	*			trans	-158.3	122.8	156.2	0	0	0	0	0	113.2	S263	S263-A265 PolarHBondContact O-N 3.47Å
266	S	35.5	Very low	37.6	Very low	110 Å²	110	147 Å²	147	77%	0.769	81%	0.813	S	S	*	*			trans	-44.3	150	173.6	55	0	0	0	0	117.5
267	V	40.7	Very low	37.5	Very low	138 Å²	138	148.3 Å²	148.3	84%	0.836	82%	0.816	S	S	*	*				-157.8	139.2	110.7	147.4	0	0	0	0	109
268	N	35.6	Very low	37.6	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	82%	0.816	S	S	*	*			trans	-94	147.3	171.6	-59.4	-29	0	0	0	110.2
269	D	39	Very low	38	Very low	158 Å²	158	143.7 Å²	143.7	85%	0.845	81%	0.812	S	S	*	*				-163.7	172.9	103.1	-147.1	-13.7	0	0	0	111.4
270	S	35.8	Very low	38	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	81%	0.806	S	S	*	*			trans	-135.1	155.1	-170.3	-63.5	0	0	0	0	113.5
271	S	38.5	Very low	38.6	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	80%	0.802	S	S	*	*			trans	135.1	146.8	130.6	-61.2	0	0	0	0	116.6
272	A	39	Very low	38.9	Very low	99 Å²	99	136.9 Å²	136.9	82%	0.818	80%	0.801	S	S	*	*			trans	68.4	153.5	149.3	0	0	0	0	0	120.2
273	E	37.3	Very low	39	Very low	156 Å²	156	134.5 Å²	134.5	73%	0.729	80%	0.795	S	S	*	*			cis	-172.4	134.4	-29.7	-172.3	-159.7	100.9	0	0	108.2
274	K	40.8	Very low	38.9	Very low	188 Å²	188	139.5 Å²	139.5	82%	0.817	80%	0.803	S	S	*	*			trans	163.9	151.2	130.1	-89.3	157.2	-174.6	161.9	0	115.5
275	A	37.9	Very low	38.8	Very low	92 Å²	92	141.5 Å²	141.5	76%	0.76	80%	0.802	S	S	*	*			trans	-109.9	-151.6	170.1	0	0	0	0	0	108.3
276	P	43.4	Very low	38.7	Very low	103 Å²	103	143.8 Å²	143.8	67%	0.669	81%	0.806	S	S	*	*			cis	-145.9	173	7	44.6	-25.3	0	0	0	119
277	K	38.5	Very low	38.9	Very low	199 Å²	199	144.1 Å²	144.1	87%	0.865	81%	0.808	S	S	*	*			trans	66.9	159.6	151.3	-74.6	165.9	-179.2	176.2	0	116.6
278	V	41.6	Very low	38.6	Very low	129 Å²	129	143.1 Å²	143.1	78%	0.782	81%	0.808	S	S	*	*			cis	-144.7	150.3	42.2	165.2	0	0	0	0	114.4
279	T	45.7	Very low	38.8	Very low	127 Å²	127	141.5 Å²	141.5	78%	0.779	81%	0.808	S	S	*	*			trans	-7.8	153.9	176.2	54.9	0	0	0	0	125.2
280	P	38.1	Very low	38.7	Very low	128 Å²	128	143 Å²	143	83%	0.831	81%	0.81	S	S	*	*			trans	-106.1	173	179.2	42.6	-36.6	0	0	0	116
281	S	44.2	Very low	38.7	Very low	121 Å²	121	149.7 Å²	149.7	85%	0.846	82%	0.82	S	S	*	*			trans	-147.2	162.6	159.9	69.6	0	0	0	0	113.5
282	K	38	Very low	38.4	Very low	202 Å²	202	149.7 Å²	149.7	88%	0.878	82%	0.821	S	S	*	*			trans	-155.4	171.3	-174.3	-95.4	-176.7	179.8	176	0	107.9
283	P	37.6	Very low	38.3	Very low	109 Å²	109	150.1 Å²	150.1	71%	0.708	82%	0.815	S	S	*	*			cis	-134.4	176.8	-32.4	39.3	-25	0	0	0	112.3
284	K	36.7	Very low	38.1	Very low	209 Å²	209	152.9 Å²	152.9	91%	0.909	83%	0.825	S	S	*	*			trans	-168.3	160.8	135.9	-108.9	158.7	-172.6	175.1	0	114
285	R	34.9	Very low	37.9	Very low	249 Å²	249	153.1 Å²	153.1	94%	0.94	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-60	137.1	-169.9	-64.3	168.6	172	158.8	-4.9	113.6
286	T	34.7	Very low	37.8	Very low	142 Å²	142	157 Å²	157	87%	0.871	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-103.5	146.2	153.7	46	0	0	0	0	109.8
287	S	39.7	Very low	37.4	Very low	117 Å²	117	160.5 Å²	160.5	82%	0.818	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-91.7	156.1	166.4	51.6	0	0	0	0	110.6
288	S	34.8	Very low	37.1	Very low	118 Å²	118	162.9 Å²	162.9	83%	0.825	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-72.1	129.2	-166.5	53.2	0	0	0	0	114.6
289	S	38.3	Very low	36.8	Very low	117 Å²	117	166.3 Å²	166.3	82%	0.818	86%	0.856	S	S	*	*			trans	-115.4	119.5	157.9	-176.5	0	0	0	0	108.6
290	Q	38.1	Very low	36.3	Very low	189 Å²	189	168.1 Å²	168.1	88%	0.883	86%	0.859	S	S	*	*			trans	-84.9	133	179.4	-72.6	-179.2	-29.1	0	0	110.6
291	R	34.7	Very low	36.2	Very low	236 Å²	236	168.5 Å²	168.5	89%	0.891	86%	0.859	S	S	*	*			trans	-153.3	152.6	171.8	-143.9	177.8	-169	-169.2	3.6	112.2
292	S	32.8	Very low	35.8	Very low	114 Å²	114	169 Å²	169	80%	0.797	86%	0.859	S	S	*	*			trans	72.6	163.4	176.4	88.7	0	0	0	0	115.2
293	P	36.3	Very low	35.5	Very low	107 Å²	107	168.5 Å²	168.5	70%	0.695	86%	0.857	S	S	*	*			cis	-127.3	135.8	2.6	36.5	-19.8	0	0	0	115.9
294	F	33.5	Very low	35.4	Very low	215 Å²	215	169.1 Å²	169.1	94%	0.943	86%	0.855	S	S	*	*			trans	-141.5	80.5	156.7	-91.1	-70	0	0	0	109.1
295	H	36.2	Very low	35.3	Very low	192 Å²	192	166.5 Å²	166.5	89%	0.889	85%	0.846	S	S	*	*			trans	-157.4	84.9	173.3	-110.6	-84.2	0	0	0	110.6
296	L	35.5	Very low	35.2	Very low	174 Å²	174	159.3 Å²	159.3	91%	0.911	83%	0.833	S	S	*	*			trans	-169	150.8	160.1	-107.7	165.7	0	0	0	109
297	L	35.6	Very low	35.1	Very low	177 Å²	177	160.8 Å²	160.8	93%	0.927	83%	0.83	S	S	*	*			trans	88.4	66.8	-175	-59.4	167.9	0	0	0	117.9
298	R	32.5	Very low	34.8	Very low	248 Å²	248	163.8 Å²	163.8	94%	0.936	83%	0.828	S	S	*	*			trans	-142.8	99.1	146	178.5	-179.3	-92.1	-176.9	-6.4	110.2
299	K	35.6	Very low	34.6	Very low	201 Å²	201	163.6 Å²	163.6	87%	0.874	82%	0.822	S	S	*	*			trans	-156.9	168.5	164.2	-104.3	-177.6	179.8	-177.8	0	107.9
300	I	34.1	Very low	34.4	Very low	166 Å²	166	165.3 Å²	165.3	85%	0.851	82%	0.817	S	S	*	*			trans	74.4	83.9	-177.8	-45.2	169.9	0	0	0	114.6
301	T	37.1	Very low	34.3	Very low	136 Å²	136	160.7 Å²	160.7	83%	0.834	81%	0.806	S	S	*	*				-151.7	148.3	125.6	34.8	0	0	0	0	108
302	P	35.7	Very low	34.3	Very low	131 Å²	131	158.1 Å²	158.1	85%	0.851	80%	0.804	S	S	*	*			trans	-82.9	-176.2	-170.6	33.9	-36.4	0	0	0	114.5
303	K	32	Very low	34.7	Very low	191 Å²	191	158.2 Å²	158.2	83%	0.83	80%	0.802	S	S	*	*			trans	-131.6	179.6	-168.3	-154.4	-169.1	178.3	-169.2	0	111.1
304	N	34.8	Very low	34.7	Very low	123 Å²	123	157.3 Å²	157.3	66%	0.658	80%	0.803	S	S	*	*			trans	82.5	149.1	177.6	-65.1	21.1	0	0	0	114.2
305	E	35.3	Very low	35	Very low	154 Å²	154	154.8 Å²	154.8	72%	0.72	80%	0.799	S	S	*	*			cis	-138.6	143.7	4.9	-122.5	135	-124.9	0	0	108.9
306	S	32.2	Very low	35.1	Very low	97 Å²	97	150.6 Å²	150.6	68%	0.678	79%	0.792	S	S	*	*				61.8	141.8	93.4	-57.2	0	0	0	0	115.2
307	H	33.1	Very low	35.2	Very low	173 Å²	173	147.9 Å²	147.9	80%	0.801	78%	0.784	S	S	*	*			cis	-166.8	156.2	-9	-126.2	-76.7	0	0	0	108.4
308	K	32	Very low	35.3	Very low	180 Å²	180	146.1 Å²	146.1	78%	0.783	78%	0.781	S	S	*	*				166	157.3	127.9	-168.7	156.8	-174.1	-178.1	0	111.8
309	V	31	Very low	35.5	Very low	114 Å²	114	139.6 Å²	139.6	69%	0.691	77%	0.769	S	S	*	*			trans	-140.5	157.5	-170.7	172.7	0	0	0	0	108.6
310	E	33.4	Very low	35.4	Very low	154 Å²	154	139.3 Å²	139.3	72%	0.72	77%	0.767	S	S	*	*			trans	-155.9	150.2	151.3	-146	57.2	-93.9	0	0	113.2
311	S	36.7	Very low	35.4	Very low	92 Å²	92	134.8 Å²	134.8	64%	0.643	76%	0.762	S	S	*	*			trans	3.7	139.1	171.1	59.4	0	0	0	0	122.7
312	Q	34.5	Very low	35.1	Very low	181 Å²	181	136.1 Å²	136.1	85%	0.846	76%	0.764	S	S	*	*			cis	69.8	164.4	36	-68.8	-154.7	3.3	0	0	116.9
313	P	40.5	Very low	34.9	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	76%	0.76	S	S	*	*			cis	-126.2	-145	-13.5	22.1	3.7	0	0	0	112.2
314	A	36.4	Very low	34.9	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	77%	0.765	S	S	*	*				-162.4	144.9	-83.1	0	0	0	0	0	112.8
315	N	40.6	Very low	34.7	Very low	162 Å²	162	136.1 Å²	136.1	87%	0.866	78%	0.778	S	S	*	*			trans	-177.3	146.1	166.8	-101.4	-33.4	0	0	0	110.9
316	S	38.8	Very low	34.5	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	79%	0.787	S	S	*	*			cis	-159.1	163.2	-27.2	-101.7	0	0	0	0	109
317	P	37.4	Very low	34.4	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	79%	0.792	S	S	*	*			trans	-114.8	173.3	-146.1	41.7	-36.9	0	0	0	117.7
318	V	36.9	Very low	34.1	Very low	140 Å²	140	140.7 Å²	140.7	85%	0.848	80%	0.798	S	S	*	*			trans	-159.7	151.4	135.1	132.8	0	0	0	0	112.8
319	T	37.8	Very low	34	Very low	111 Å²	111	137.5 Å²	137.5	68%	0.681	80%	0.798	S	S	*	*			trans	-61.8	167.4	-174.4	50.5	0	0	0	0	117.2
320	K	34.1	Very low	33.8	Very low	195 Å²	195	136.7 Å²	136.7	85%	0.848	80%	0.803	S	S	*	*			cis	-169.8	156.3	-15.8	-110.1	-177.8	174.8	-171.9	0	108
321	G	33.3	Very low	33.6	Very low	72 Å²	72	139 Å²	139	74%	0.742	81%	0.811	S	S	*	*			trans	158	98.9	168.2	0	0	0	0	0	112.4
322	D	31.3	Very low	33.5	Very low	163 Å²	163	143.5 Å²	143.5	87%	0.872	82%	0.822	S	S	*	*			trans	-82.2	148.4	-166.9	-53.7	-73.2	0	0	0	113.9
323	G	31.5	Very low	33.3	Very low	75 Å²	75	139.3 Å²	139.3	77%	0.773	81%	0.813	S	S	*	*			trans	176.5	65.4	-176.3	0	0	0	0	0	114.2
324	D	32	Very low	32.7	Very low	173 Å²	173	140.4 Å²	140.4	93%	0.925	81%	0.811	S	S	*	*			trans	3.2	116.6	176.8	-71.3	-40.3	0	0	0	119.7
325	Q	29.4	Very low	32.4	Very low	198 Å²	198	140.9 Å²	140.9	93%	0.925	80%	0.804	S	S	*	*			trans	-117.3	121.8	172.1	-177.3	-177	86.4	0	0	109.7
326	Q	30.7	Very low	31.9	Very low	196 Å²	196	140.7 Å²	140.7	92%	0.916	80%	0.802	S	S	*	*			trans	-138.8	130.3	166.1	-162.8	154.4	71.3	0	0	112.9
327	S	30.2	Very low	31.4	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	80%	0.801	S	S	*	*			trans	-77.1	153.2	-170.7	-170.8	0	0	0	0	113.2	S329	S327-S329 PolarHBondContact O-N 2.64Å
328	K	27	Very low	31.3	Very low	212 Å²	212	141.2 Å²	141.2	92%	0.922	79%	0.791	S	S	*	*			trans	-74.1	104.4	176.3	-66.2	174.7	-178.8	173.5	0	110.1
329	S	30.1	Very low	31.1	Very low	112 Å²	112	140.3 Å²	140.3	78%	0.783	78%	0.781	S	S	*	*			trans	-102.2	128.5	164.3	-175.9	0	0	0	0	109.6	S327 F331	S327-S329 PolarHBondContact O-N 2.64Å; S329-F331 PolarHBondContact O-N 3.04Å
330	A	28.2	Very low	30.7	Very low	97 Å²	97	144.4 Å²	144.4	80%	0.802	79%	0.785	S	S	*	*			trans	-82	109.7	-171.9	0	0	0	0	0	111.7
331	F	28.4	Very low	30.7	Very low	203 Å²	203	142.2 Å²	142.2	89%	0.89	78%	0.777	S	S	*	*			trans	-106.6	86.9	171.4	-133.1	-89	0	0	0	109.8	S329 S333	S329-F331 PolarHBondContact O-N 3.04Å; F331-S333 PolarHBondContact O-N 3Å; F331-S333 VanDerWaalsContact O-N 3.13Å
332	Q	33.4	Very low	30.5	Very low	187 Å²	187	145.5 Å²	145.5	87%	0.874	78%	0.778	S	S	*	*			trans	-73.6	106.5	-174.9	-167.1	161.8	-3.4	0	0	110.7
333	S	31.3	Very low	30.6	Very low	93 Å²	93	142.3 Å²	142.3	65%	0.65	76%	0.761	S	S	*	*			trans	-67.9	136.8	178.4	46	0	0	0	0	111.2	F331 V335	F331-S333 PolarHBondContact O-N 3Å; F331-S333 VanDerWaalsContact O-N 3.13Å; S333-V335 VanDerWaalsContact C-N 3.35Å; S333-V335 PolarHBondContact O-N 3.09Å
334	I	27.8	Very low	30.4	Very low	140 Å²	140	143.6 Å²	143.6	72%	0.718	76%	0.764	S	S	*	*			trans	-75.4	90.2	176.4	-58.9	175.5	0	0	0	108.6
335	V	30.3	Very low	30.4	Very low	97 Å²	97	139.2 Å²	139.2	59%	0.588	75%	0.752	S	S	*	*			trans	-70.6	131.9	164.7	179.3	0	0	0	0	108.3	S333 E337	S333-V335 VanDerWaalsContact C-N 3.35Å; S333-V335 PolarHBondContact O-N 3.09Å; V335-E337 PolarHBondContact O-N 3Å
336	I	30.4	Very low	30.4	Very low	158 Å²	158	136.3 Å²	136.3	81%	0.81	75%	0.747	S	S	*	*			trans	-82.4	93.2	169	-61.1	177.8	0	0	0	106.6	S338	I336-S338 PolarHBondContact O-N 3.3Å
337	E	28.9	Very low	30.6	Very low	154 Å²	154	134.9 Å²	134.9	72%	0.72	74%	0.741	S	S	*	*			trans	-66.4	103.8	-174.1	-159.9	54	-118.6	0	0	110.7	V335 D339	V335-E337 PolarHBondContact O-N 3Å; E337-D339 PolarHBondContact O-N 2.95Å; E337-D339 VanDerWaalsContact O-N 3.14Å
338	S	33.8	Very low	30.6	Very low	78 Å²	78	137.4 Å²	137.4	55%	0.545	74%	0.74	S	S	.	*			trans	-87	78.9	-179.2	161.7	0	0	0	0	108.8	I336 R340	I336-S338 PolarHBondContact O-N 3.3Å; S338-R340 WeakPolarHBondContact O-CG 3.31Å; S338-R340 PolarHBondContact O-N 3.3Å
339	D	32.3	Very low	30.8	Very low	120 Å²	120	133 Å²	133	64%	0.642	73%	0.733	S	S	*	*			trans	-25.7	85.8	-178.9	-149	25.1	0	0	0	114	R138 E337	R138-D339 IonicContact NH1-OD2 3.94Å; R138-D339 PolarHBondContact NH1-OD2 2.62Å; R138-D339 VanDerWaalsContact NH1-OD2 3.11Å; E337-D339 PolarHBondContact O-N 2.95Å; E337-D339 VanDerWaalsContact O-N 3.14Å
340	R	30.3	Very low	31	Very low	198 Å²	198	133.4 Å²	133.4	75%	0.747	73%	0.731	S	S	*	*			trans	-113	86.4	178.3	-85.5	-173.7	-165.7	178.5	7.8	108.5	S338	S338-R340 WeakPolarHBondContact O-CG 3.31Å; S338-R340 PolarHBondContact O-N 3.3Å
341	Q	34.9	Very low	31.2	Very low	149 Å²	149	135.6 Å²	135.6	70%	0.696	73%	0.729	S	S	*	*			trans	-82.3	115.4	162.2	-143.1	134.2	41.5	0	0	107.5	D343	Q341-D343 PolarHBondContact O-N 3.17Å; Q341-D343 VanDerWaalsContact O-N 3.13Å
342	D	27.7	Very low	31.4	Very low	140 Å²	140	133.1 Å²	133.1	75%	0.749	73%	0.725	S	S	*	*			trans	-83.2	87.1	-168	-79.6	-46.5	0	0	0	113.2	A344	D342-A344 PolarHBondContact O-N 2.99Å; D342-A344 VanDerWaalsContact O-N 3.12Å
343	D	33.6	Very low	31.5	Very low	96 Å²	96	131.5 Å²	131.5	51%	0.513	72%	0.717	S	S	.	*			trans	-74.6	88.2	159.6	-74.2	-51.1	0	0	0	109.8	Q341 A345	Q341-D343 PolarHBondContact O-N 3.17Å; Q341-D343 VanDerWaalsContact O-N 3.13Å; D343-A345 PolarHBondContact O-N 3.07Å
344	A	28.5	Very low	31.4	Very low	103 Å²	103	132.2 Å²	132.2	85%	0.851	72%	0.722	S	S	*	*			trans	-77.3	77.4	179.2	0	0	0	0	0	112.7	D342	D342-A344 PolarHBondContact O-N 2.99Å; D342-A344 VanDerWaalsContact O-N 3.12Å
345	A	32.1	Very low	31.8	Very low	80 Å²	80	131.6 Å²	131.6	66%	0.661	73%	0.725	S	S	*	*			trans	-123.3	102.8	168.9	0	0	0	0	0	110.9	D343 E347	D343-A345 PolarHBondContact O-N 3.07Å; A345-E347 PolarHBondContact O-N 2.7Å
346	V	28.9	Very low	31.8	Very low	138 Å²	138	132.2 Å²	132.2	84%	0.836	73%	0.734	S	S	*	*			trans	-84.2	107.3	169.9	179.8	0	0	0	0	108.4	E348	V346-E348 HydrophobicContact CG1-CG 4.35Å
347	E	34.3	Very low	32	Very low	165 Å²	165	134 Å²	134	77%	0.771	74%	0.736	S	S	*	*			trans	-101.4	104.8	162.6	-72.2	-174.7	136.6	0	0	108.4	A345	A345-E347 PolarHBondContact O-N 2.7Å
348	E	29.8	Very low	32.2	Very low	166 Å²	166	134.5 Å²	134.5	78%	0.776	74%	0.736	S	S	*	*			trans	-82.8	147.2	158.2	-71.8	-148.6	121.7	0	0	110.2	V346 V350	V346-E348 HydrophobicContact CG1-CG 4.35Å; E348-V350 PolarHBondContact O-N 3.34Å
349	P	31.9	Very low	32.1	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	74%	0.741	S	S	*	*			trans	-81.6	107.6	175	32.2	-31.4	0	0	0	110.7	D351	P349-D351 PolarHBondContact O-N 3.28Å
350	V	35.2	Very low	32.4	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	74%	0.744	S	S	*	*			trans	-84.4	107	170.7	-177.4	0	0	0	0	109.4	E348	E348-V350 PolarHBondContact O-N 3.34Å
351	D	32.5	Very low	32.6	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	74%	0.739	S	S	*	*			trans	-90.5	100.9	167.1	-83.3	-31.3	0	0	0	109.2	P349 Q353	P349-D351 PolarHBondContact O-N 3.28Å; D351-Q353 PolarHBondContact O-N 2.76Å
352	D	31.7	Very low	32.6	Very low	150 Å²	150	134.3 Å²	134.3	80%	0.802	75%	0.747	S	S	*	*			trans	-69.4	115.6	174.6	-83.8	-48.4	0	0	0	112.2
353	Q	35.7	Very low	33.2	Very low	154 Å²	154	132.8 Å²	132.8	72%	0.72	74%	0.744	S	S	*	*			trans	-142.3	133.3	152.4	-84.9	-160.9	-73.5	0	0	110.5	D351	D351-Q353 PolarHBondContact O-N 2.76Å
354	S	30	Very low	33.9	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	76%	0.756	S	S	*	*			trans	-70	151.6	-173.7	51.7	0	0	0	0	114.2
355	T	34.7	Very low	34.4	Very low	126 Å²	126	134.3 Å²	134.3	77%	0.773	75%	0.751	S	S	*	*				176.9	122.1	95.8	42.8	0	0	0	0	113.7
356	S	31.2	Very low	34.6	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	76%	0.756	S	S	*	*			trans	47.6	149.2	131.6	-155.6	0	0	0	0	123.5
357	K	33.9	Very low	35	Very low	196 Å²	196	136.9 Å²	136.9	85%	0.852	75%	0.752	S	S	*	*			trans	81.6	140.5	170.1	-59.3	177.4	-177.3	176.5	0	116.3
358	K	32.6	Very low	35	Very low	165 Å²	165	133.8 Å²	133.8	72%	0.717	75%	0.748	S	S	*	*			cis	-167.9	130.2	-10.4	163.8	-170.5	172.6	-163.8	0	110.4
359	M	33.4	Very low	35.3	Very low	135 Å²	135	129.7 Å²	129.7	67%	0.665	74%	0.743	S	S	*	*			trans	57.9	160.9	160.5	-72.9	152	65.8	0	0	117.4
360	E	36.9	Very low	35.5	Very low	149 Å²	149	132.2 Å²	132.2	70%	0.696	75%	0.75	S	S	*	*			cis	-148.9	151.6	11.3	-137.4	147.3	133.3	0	0	112.2
361	S	36.1	Very low	35.5	Very low	93 Å²	93	130.4 Å²	130.4	65%	0.65	76%	0.756	S	S	*	*			trans	28.6	148	144.4	69.3	0	0	0	0	122.9
362	L	34.7	Very low	35.6	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	76%	0.758	S	S	*	*			cis	-144.4	173.6	17.1	-101	116	0	0	0	111.4
363	P	40.2	Very low	35.6	Very low	107 Å²	107	132.1 Å²	132.1	70%	0.695	75%	0.754	S	S	*	*			trans	-106.7	168.2	-168.4	40.2	-33.2	0	0	0	116.8
364	P	48.1	Very low	35.6	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	76%	0.758	S	S	*	*			trans	-84.3	171.4	166.4	39	-37.8	0	0	0	112
365	P	38	Very low	35.9	Very low	115 Å²	115	133.5 Å²	133.5	75%	0.747	75%	0.754	S	S	*	*				-159.4	-164.2	97	34.6	-9.7	0	0	0	116.5
366	I	37.7	Very low	36	Very low	151 Å²	151	135.2 Å²	135.2	77%	0.774	75%	0.751	S	S	*	*			trans	115.3	144.7	150.9	-64.9	156.3	0	0	0	119.1
367	T	35.8	Very low	36.1	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	75%	0.75	S	S	*	*			trans	-61.7	-172.4	-167	60.7	0	0	0	0	116.6
368	S	35.6	Very low	36.2	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	75%	0.752	S	S	*	*			cis	-159	142.2	14.6	-11.1	0	0	0	0	109
369	A	35	Very low	36.1	Very low	81 Å²	81	136.8 Å²	136.8	67%	0.669	75%	0.751	S	S	*	*				82.7	151.2	90.5	0	0	0	0	0	116.5
370	D	36.4	Very low	36.1	Very low	172 Å²	172	134.7 Å²	134.7	92%	0.92	76%	0.755	S	S	*	*			trans	73	142	164.9	-47.2	-30.3	0	0	0	121.3
371	G	34.9	Very low	35.8	Very low	82 Å²	82	132.1 Å²	132.1	85%	0.845	75%	0.754	S	S	*	*			trans	144.5	115.9	173.8	0	0	0	0	0	114.7
372	E	34.8	Very low	35.7	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.804	76%	0.764	S	S	*	*			trans	-109.9	162.1	-165.8	-106.7	-172.1	96.1	0	0	118.3
373	Q	32.6	Very low	35.7	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	75%	0.753	S	S	*	*			trans	-9.2	140.8	166.4	-55.2	177	49	0	0	122.5
374	N	34.5	Very low	35.3	Very low	148 Å²	148	134.1 Å²	134.1	79%	0.791	76%	0.759	S	S	*	*			trans	-178.6	152.8	133.1	-98.6	-14.7	0	0	0	110.1
375	E	37.4	Very low	34.3	Very low	143 Å²	143	135.3 Å²	135.3	67%	0.668	76%	0.759	S	S	*	*			cis	-154.5	163	-14.1	-178.8	161.7	-164.9	0	0	110.8
376	K	35.7	Very low	34.2	Very low	162 Å²	162	138.8 Å²	138.8	70%	0.704	77%	0.765	S	S	*	*			trans	-32.6	140.9	173.6	-67.5	146.5	-166.6	159.6	0	116.7
377	E	33.9	Very low	33.9	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	77%	0.767	S	S	*	*				77.3	123	57.2	-173.6	-171.7	-157	0	0	115
378	K	35.8	Very low	33.9	Very low	206 Å²	206	136.8 Å²	136.8	90%	0.896	77%	0.767	S	S	*	*			trans	-157.6	141.5	154.6	-144.5	173.4	-173.7	179.9	0	112.1
379	I	30.8	Very low	33.8	Very low	135 Å²	135	138.4 Å²	138.4	69%	0.692	77%	0.772	S	S	*	*			trans	-135.8	162.9	-173.6	-61.4	173.1	0	0	0	109
380	A	33.4	Very low	33.5	Very low	91 Å²	91	141.7 Å²	141.7	75%	0.752	78%	0.777	S	S	*	*			trans	77	151	166.2	0	0	0	0	0	117.4
381	S	30	Very low	33.5	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	78%	0.775	S	S	*	*			cis	-176.6	178.5	-15.7	50.1	0	0	0	0	111.2
382	I	35.3	Very low	33.3	Very low	168 Å²	168	147.9 Å²	147.9	86%	0.862	77%	0.774	S	S	*	*			trans	88.7	140.2	159.1	-57.8	152	0	0	0	118.5
383	G	33.2	Very low	33.2	Very low	62 Å²	62	145 Å²	145	64%	0.639	77%	0.77	S	S	*	*			trans	89.9	100.1	164.3	0	0	0	0	0	114.8
384	E	32	Very low	33.2	Very low	175 Å²	175	147 Å²	147	82%	0.818	78%	0.776	S	S	*	*				80.2	127.9	57.5	-68.8	-158.7	130.4	0	0	115.9
385	N	28.2	Very low	32.9	Very low	141 Å²	141	148.7 Å²	148.7	75%	0.754	78%	0.78	S	S	*	*			trans	58.1	126.5	162.3	-52.6	-33.2	0	0	0	117
386	E	36.1	Very low	32.7	Very low	188 Å²	188	148.5 Å²	148.5	88%	0.879	79%	0.788	S	S	*	*				-161.7	175.4	52.6	-78.7	-169.6	127.6	0	0	113.8
387	S	30.4	Very low	32.4	Very low	116 Å²	116	145.3 Å²	145.3	81%	0.811	79%	0.786	S	S	*	*			trans	-157.4	171	165.6	-72.5	0	0	0	0	107.6
388	P	35.9	Very low	32.2	Very low	115 Å²	115	143.6 Å²	143.6	75%	0.747	79%	0.787	S	S	*	*			cis	-125	176	-12.7	40.9	-27.2	0	0	0	112.7
389	V	34.1	Very low	32.1	Very low	133 Å²	133	139 Å²	139	81%	0.806	78%	0.781	S	S	*	*			trans	-138	131	161	-176.8	0	0	0	0	112	L391	V389-L391 HydrophobicContact CG1-CG 4.33Å
390	I	28.7	Very low	32	Very low	151 Å²	151	139.4 Å²	139.4	77%	0.774	78%	0.784	S	S	*	*			trans	-106.7	137.9	171.3	-66.6	168.7	0	0	0	108.5
391	L	35.4	Very low	32.1	Very low	164 Å²	164	144.7 Å²	144.7	86%	0.859	79%	0.794	S	S	*	*			trans	-130.4	91.9	170.7	-79.9	172.2	0	0	0	113.1	V389	V389-L391 HydrophobicContact CG1-CG 4.33Å
392	R	30.4	Very low	32.3	Very low	219 Å²	219	144.7 Å²	144.7	83%	0.826	80%	0.799	S	S	*	*			trans	-96.2	177	136.6	-72.2	-164.9	-170.4	-171.7	6.7	107.1
393	P	34	Very low	32.1	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	80%	0.797	S	S	*	*			cis	-134.3	176	3	43	-27.8	0	0	0	115.1
394	K	32.5	Very low	32.3	Very low	198 Å²	198	144.9 Å²	144.9	86%	0.861	80%	0.803	S	S	*	*				-164.9	139.5	115.2	-113.5	178.7	179.9	-179.6	0	112.6
395	E	27.9	Very low	32.2	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	80%	0.802	S	S	*	*			trans	-102.5	136.3	165.2	-62.9	172.7	153.8	0	0	108.3
396	T	33	Very low	32.6	Very low	139 Å²	139	142 Å²	142	85%	0.853	81%	0.805	S	S	*	*			trans	-146.5	145.6	156.1	-32.9	0	0	0	0	108.1
397	S	30.4	Very low	32.5	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	80%	0.804	S	S	*	*			trans	-94.9	176.7	-167	61.1	0	0	0	0	114.8
398	T	29.6	Very low	32.5	Very low	128 Å²	128	149 Å²	149	79%	0.785	81%	0.811	S	S	*	*			trans	57.6	117.8	152.6	46.4	0	0	0	0	116.9
399	S	33	Very low	32.3	Very low	109 Å²	109	153 Å²	153	76%	0.762	82%	0.817	S	S	*	*				-175	165.1	53.9	-152.3	0	0	0	0	111.9
400	D	29.4	Very low	32.4	Very low	143 Å²	143	152.1 Å²	152.1	77%	0.765	82%	0.817	S	S	*	*			trans	-47	142.7	-175.9	-42.4	-75.1	0	0	0	119
401	Q	34.2	Very low	32.5	Very low	203 Å²	203	153.6 Å²	153.6	95%	0.949	82%	0.822	S	S	*	*				-163.7	164.9	121.8	-107.2	174.2	44.5	0	0	112.4
402	A	34.6	Very low	32.6	Very low	94 Å²	94	150.7 Å²	150.7	78%	0.777	81%	0.813	S	S	*	*			trans	-116.4	163.5	-145.8	0	0	0	0	0	117.8
403	S	31.1	Very low	32.8	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	81%	0.814	S	S	*	*			trans	80.5	157.2	153	-139.8	0	0	0	0	117.8
404	P	37.4	Very low	32.8	Very low	118 Å²	118	149 Å²	149	77%	0.766	82%	0.82	S	S	*	*			cis	-123	166	-4.8	30.8	-11.4	0	0	0	115.6
405	T	30.3	Very low	33	Very low	129 Å²	129	142.3 Å²	142.3	79%	0.791	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-92.4	147.6	178.6	42.9	0	0	0	0	114.6
406	P	37.2	Very low	33.3	Very low	127 Å²	127	141.6 Å²	141.6	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.8	135.7	169	31.6	-33	0	0	0	111.6
407	K	33.9	Very low	33.4	Very low	198 Å²	198	141.8 Å²	141.8	86%	0.861	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.3	123.7	-171.2	-64.5	178.7	-179.9	178.7	0	113.2	K409	K407-K409 PolarHBondContact O-N 3.36Å; K407-K409 VanDerWaalsContact O-N 3.15Å
408	R	29	Very low	33.8	Very low	251 Å²	251	141.9 Å²	141.9	95%	0.947	80%	0.804	S	S	*	*			trans	-65.5	104.7	166.8	-166.8	-177.5	-163.2	-176.8	6.4	109.4
409	K	32.3	Very low	34	Very low	200 Å²	200	140.6 Å²	140.6	87%	0.87	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.4	127.8	175	-73.1	-174.4	175.9	-178.7	0	110.1	K407	K407-K409 PolarHBondContact O-N 3.36Å; K407-K409 VanDerWaalsContact O-N 3.15Å
410	S	36.4	Very low	34.2	Very low	115 Å²	115	146.1 Å²	146.1	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.9	148.4	170.2	42	0	0	0	0	111.1
411	M	30.5	Very low	34.7	Very low	181 Å²	181	145 Å²	145	89%	0.892	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.8	135.5	170.2	-159.6	165.5	-176	0	0	108.3
412	P	36.6	Very low	34.5	Very low	104 Å²	104	145.8 Å²	145.8	68%	0.675	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.9	138.8	-177.9	28.3	-34.4	0	0	0	111.1
413	A	36	Very low	34.6	Very low	101 Å²	101	146.1 Å²	146.1	84%	0.835	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.2	133.5	172.7	0	0	0	0	0	110.3
414	F	34.4	Very low	35	Very low	195 Å²	195	149.5 Å²	149.5	86%	0.855	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.1	119.6	167.7	-99.6	-96.7	0	0	0	109.2
415	G	36	Very low	35.1	Very low	57 Å²	57	148.8 Å²	148.8	59%	0.588	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.4	152.1	170.5	0	0	0	0	0	111.6	L417	G415-L417 PolarHBondContact O-N 3.36Å
416	N	33.4	Very low	36.3	Very low	171 Å²	171	146.3 Å²	146.3	91%	0.914	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-68	125.9	179.8	-62.4	-17.6	0	0	0	110.9
417	L	36.5	Very low	36.8	Very low	143 Å²	143	149 Å²	149	75%	0.749	77%	0.774	S	S	*	*			trans	-105.7	126.9	164.3	-81.8	129.5	0	0	0	109	G415	G415-L417 PolarHBondContact O-N 3.36Å
418	S	37.9	Very low	37.6	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	77%	0.77	S	S	*	*			trans	-73.5	156.6	-179.4	52.3	0	0	0	0	112.5	R420	S418-R420 PolarHBondContact O-N 3.02Å
419	A	34.2	Very low	39.3	Very low	101 Å²	101	140.2 Å²	140.2	84%	0.835	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	57.9	-175.7	0	0	0	0	0	114.7
420	R	37.9	Very low	40.4	Very low	226 Å²	226	134.2 Å²	134.2	85%	0.853	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	-12	179.2	-128.8	174.7	-173.3	135.9	4.6	115.7	S418 Y422	S418-R420 PolarHBondContact O-N 3.02Å; R420-Y422 VanDerWaalsContact C-N 3.34Å; R420-Y422 PolarHBondContact O-N 2.82Å
421	D	38.2	Very low	41.6	Very low	120 Å²	120	133.7 Å²	133.7	64%	0.642	71%	0.712	S	S	*	*			trans	-93.7	23.6	-177.6	-54	-36.1	0	0	0	113.6	S423	D421-S423 VanDerWaalsContact C-N 3.32Å; D421-S423 PolarHBondContact O-N 3.44Å; D421-S423 VanDerWaalsContact O-N 3.15Å
422	Y	31.8	Very low	43.3	Very low	219 Å²	219	126.8 Å²	126.8	86%	0.859	68%	0.684	S	S	*	*			trans	-88.3	61.6	-179.1	-98.7	-83.6	0	0	0	112.8	R420	R420-Y422 VanDerWaalsContact C-N 3.34Å; R420-Y422 PolarHBondContact O-N 2.82Å
423	S	36.1	Very low	44.4	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	68%	0.676	S	S	*	*	S	Bend	trans	-152.6	152.2	161.5	-165	0	0	0	0	110.2	D421 M425	D421-S423 VanDerWaalsContact C-N 3.32Å; D421-S423 PolarHBondContact O-N 3.44Å; D421-S423 VanDerWaalsContact O-N 3.15Å; S423-M425 PolarHBondContact O-N 3.25Å
424	E	40	Very low	45.7	Very low	188 Å²	188	127.4 Å²	127.4	88%	0.879	66%	0.656	S	S	*	*			trans	60	35.6	173.1	-53.2	-164.8	150.3	0	0	117.9
425	M	38.4	Very low	47.1	Very low	104 Å²	104	122 Å²	122	51%	0.512	64%	0.636	S	S	.	*			trans	-81.7	128.8	162.9	-160.1	-177	73.3	0	0	110.4	S423 E429 D430	S423-M425 PolarHBondContact O-N 3.25Å; M425-E429 HydrophobicContact CG-CB 4.23Å; M425-D430 HydrophobicContact CE-CB 4.37Å; M425-D430 WeakPolarHBondContact CE-OD1 3.48Å
426	T	55.4	Low	48.4	Very low	76 Å²	76	127.2 Å²	127.2	47%	0.466	64%	0.638	S	S	.	*			trans	-85.4	151.9	-168.8	62.9	0	0	0	0	113.8	Q428 E429 D430	T426-Q428 PolarHBondContact O-N 2.81Å; T426-E429 PolarHBondContact N-OE2 3.47Å; T426-E429 PolarHBondContact O-N 3.27Å; T426-E429 PolarHBondContact OG1-OE2 2.67Å; T426-D430 PolarHBondContact O-N 3.01Å
427	E	49	Very low	49.9	Very low	184 Å²	184	123.6 Å²	123.6	86%	0.86	62%	0.618	S	S	*	*	H	α-helix	trans	-54	-29.9	177.6	-170.4	-178.4	-162.9	0	0	112.6	L431	E427-L431 PolarHBondContact O-N 3.4Å; E427-L431 VanDerWaalsContact O-N 3.1Å
428	Q	49.7	Very low	50.9	Low	164 Å²	164	124.7 Å²	124.7	77%	0.766	61%	0.612	S	S	*	*	H	α-helix	trans	-71	-30.3	178.9	-164.3	162.7	-15.1	0	0	112.9	T426 A432	T426-Q428 PolarHBondContact O-N 2.81Å; Q428-A432 WeakPolarHBondContact O-CB 3.39Å; Q428-A432 PolarHBondContact O-N 2.96Å; Q428-A432 VanDerWaalsContact O-N 3.13Å
429	E	64.8	Low	51.7	Low	100 Å²	100	123.2 Å²	123.2	47%	0.467	60%	0.602	S	S	.	*	H	α-helix	trans	-77.5	-39.3	175.1	-71.6	180	104.8	0	0	112.4	M425 T426 L431 A432 R433	M425-E429 HydrophobicContact CG-CB 4.23Å; T426-E429 PolarHBondContact N-OE2 3.47Å; T426-E429 PolarHBondContact O-N 3.27Å; T426-E429 PolarHBondContact OG1-OE2 2.67Å; E429-L431 VanDerWaalsContact C-N 3.3Å; E429-L431 PolarHBondContact O-N 3.47Å; E429-A432 CarbonylContact O-C 3.47Å; E429-A432 WeakPolarHBondContact O-CA 3.29Å; E429-A432 WeakPolarHBondContact O-CB 3.35Å; E429-A432 PolarHBondContact O-N 2.96Å; E429-A432 VanDerWaalsContact O-N 3.09Å; E429-R433 WeakPolarHBondContact O-CB 3.4Å; E429-R433 PolarHBondContact O-N 3.22Å
430	D	55.4	Low	52.8	Low	74 Å²	74	124 Å²	124	40%	0.396	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-38.7	173.8	-112.6	-10.6	0	0	0	111	M425 T426 A432 R433 I434	M425-D430 HydrophobicContact CE-CB 4.37Å; M425-D430 WeakPolarHBondContact CE-OD1 3.48Å; T426-D430 PolarHBondContact O-N 3.01Å; D430-A432 VanDerWaalsContact C-N 3.32Å; D430-A432 PolarHBondContact O-N 3.07Å; D430-R433 WeakPolarHBondContact O-CB 3.02Å; D430-R433 PolarHBondContact O-N 3.5Å; D430-R433 VanDerWaalsContact O-N 3.16Å; D430-I434 WeakPolarHBondContact O-CB 3.02Å; D430-I434 VanDerWaalsContact O-CG1 3.29Å; D430-I434 WeakPolarHBondContact O-CG1 3.19Å; D430-I434 PolarHBondContact O-N 3.19Å
431	L	62	Low	53.4	Low	105 Å²	105	117.9 Å²	117.9	55%	0.55	58%	0.576	S	S	.	*	H	α-helix	trans	-62.5	-38.7	171.4	-160.1	72.6	0	0	0	111.9	E427 E429 N435	E427-L431 PolarHBondContact O-N 3.4Å; E427-L431 VanDerWaalsContact O-N 3.1Å; E429-L431 VanDerWaalsContact C-N 3.3Å; E429-L431 PolarHBondContact O-N 3.47Å; L431-N435 WeakPolarHBondContact O-CB 3.27Å; L431-N435 VanDerWaalsContact O-CG 3.29Å; L431-N435 PolarHBondContact O-N 3.15Å; L431-N435 PolarHBondContact O-ND2 2.94Å; L431-N435 VanDerWaalsContact O-ND2 3.1Å
432	A	66.1	Low	54	Low	36 Å²	36	118.2 Å²	118.2	30%	0.298	58%	0.577	S	S	.	*	H	α-helix	trans	-69.7	-28.7	173.8	0	0	0	0	0	113.2	Q428 E429 D430 R436	Q428-A432 WeakPolarHBondContact O-CB 3.39Å; Q428-A432 PolarHBondContact O-N 2.96Å; Q428-A432 VanDerWaalsContact O-N 3.13Å; E429-A432 CarbonylContact O-C 3.47Å; E429-A432 WeakPolarHBondContact O-CA 3.29Å; E429-A432 WeakPolarHBondContact O-CB 3.35Å; E429-A432 PolarHBondContact O-N 2.96Å; E429-A432 VanDerWaalsContact O-N 3.09Å; D430-A432 VanDerWaalsContact C-N 3.32Å; D430-A432 PolarHBondContact O-N 3.07Å; A432-R436 WeakPolarHBondContact O-CB 3.11Å; A432-R436 WeakPolarHBondContact O-CG 3.26Å; A432-R436 PolarHBondContact O-N 3.47Å; A432-R436 VanDerWaalsContact O-N 3.12Å; A432-R436 PolarHBondContact O-NE 3.49Å
433	R	58.3	Low	54.7	Low	137 Å²	137	110.2 Å²	110.2	52%	0.517	56%	0.556	S	S	.	*	H	α-helix	trans	-73.8	-48	175.1	-162.4	177.4	-170.3	-179.9	5.1	110.7	E429 D430 N435 R436 I437	E429-R433 WeakPolarHBondContact O-CB 3.4Å; E429-R433 PolarHBondContact O-N 3.22Å; D430-R433 WeakPolarHBondContact O-CB 3.02Å; D430-R433 PolarHBondContact O-N 3.5Å; D430-R433 VanDerWaalsContact O-N 3.16Å; R433-N435 VanDerWaalsContact C-N 3.33Å; R433-N435 PolarHBondContact O-N 3.13Å; R433-R436 PolarHBondContact O-N 3.45Å; R433-I437 HydrophobicContact CG-CD1 4.4Å; R433-I437 WeakPolarHBondContact O-CG1 3.13Å; R433-I437 PolarHBondContact O-N 2.86Å
434	I	63.8	Low	54.7	Low	80 Å²	80	109.1 Å²	109.1	41%	0.41	55%	0.548	S	S	.	.	H	α-helix	trans	-59.3	-42.2	174.6	-69.7	165.3	0	0	0	111.2	D430 I437 R438	D430-I434 WeakPolarHBondContact O-CB 3.02Å; D430-I434 VanDerWaalsContact O-CG1 3.29Å; D430-I434 WeakPolarHBondContact O-CG1 3.19Å; D430-I434 PolarHBondContact O-N 3.19Å; I434-I437 PolarHBondContact O-N 2.74Å; I434-R438 PolarHBondContact O-N 3.15Å
435	N	64.4	Low	54.7	Low	81 Å²	81	106.9 Å²	106.9	43%	0.433	54%	0.539	S	S	.	.	H	α-helix	trans	-69.5	-36.5	177.5	-74.8	-32.5	0	0	0	112.7	L431 R433 R438 S439	L431-N435 WeakPolarHBondContact O-CB 3.27Å; L431-N435 VanDerWaalsContact O-CG 3.29Å; L431-N435 PolarHBondContact O-N 3.15Å; L431-N435 PolarHBondContact O-ND2 2.94Å; L431-N435 VanDerWaalsContact O-ND2 3.1Å; R433-N435 VanDerWaalsContact C-N 3.33Å; R433-N435 PolarHBondContact O-N 3.13Å; N435-R438 PolarHBondContact O-N 2.91Å; N435-S439 PolarHBondContact O-N 3.35Å; N435-S439 PolarHBondContact O-OG 2.93Å
436	R	63.3	Low	54.7	Low	167 Å²	167	108.8 Å²	108.8	63%	0.63	54%	0.544	S	S	*	.	H	α-helix	trans	-65.4	-38.9	171.4	-82.5	-178.5	-84.4	-163.2	-1.3	112.9	A432 R433 S439 L440	A432-R436 WeakPolarHBondContact O-CB 3.11Å; A432-R436 WeakPolarHBondContact O-CG 3.26Å; A432-R436 PolarHBondContact O-N 3.47Å; A432-R436 VanDerWaalsContact O-N 3.12Å; A432-R436 PolarHBondContact O-NE 3.49Å; R433-R436 PolarHBondContact O-N 3.45Å; R436-S439 PolarHBondContact O-N 2.89Å; R436-S439 PolarHBondContact O-OG 3.28Å; R436-L440 PolarHBondContact O-N 3.05Å
437	I	63.7	Low	53.9	Low	96 Å²	96	114.5 Å²	114.5	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-41.2	173.6	-68.4	165.2	0	0	0	110.4	R433 I434 N441	R433-I437 HydrophobicContact CG-CD1 4.4Å; R433-I437 WeakPolarHBondContact O-CG1 3.13Å; R433-I437 PolarHBondContact O-N 2.86Å; I434-I437 PolarHBondContact O-N 2.74Å; I437-N441 PolarHBondContact O-N 3.21Å; I437-N441 PolarHBondContact O-ND2 3.02Å
438	R	57.6	Low	53.5	Low	165 Å²	165	112.3 Å²	112.3	62%	0.623	55%	0.551	S	S	*	*	H	α-helix	trans	-63.6	-42.4	174.5	-79.8	-179.4	172.9	152.8	1.4	113	I434 N435 N441 L442	I434-R438 PolarHBondContact O-N 3.15Å; N435-R438 PolarHBondContact O-N 2.91Å; R438-N441 PolarHBondContact O-N 3.46Å; R438-L442 PolarHBondContact O-N 3.44Å
439	S	56.2	Low	52.9	Low	65 Å²	65	111.5 Å²	111.5	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-37.7	179	61.2	0	0	0	0	112.4	N435 R436 L442 A443	N435-S439 PolarHBondContact O-N 3.35Å; N435-S439 PolarHBondContact O-OG 2.93Å; R436-S439 PolarHBondContact O-N 2.89Å; R436-S439 PolarHBondContact O-OG 3.28Å; S439-L442 PolarHBondContact O-N 3.45Å; S439-A443 WeakPolarHBondContact O-CB 3.25Å; S439-A443 PolarHBondContact O-N 3.14Å
440	L	57.3	Low	51.7	Low	116 Å²	116	111.1 Å²	111.1	61%	0.607	56%	0.556	S	S	*	*	H	α-helix	trans	-61.6	-46	172.1	-106.9	75.2	0	0	0	112.1	R436 L442 A443 C444	R436-L440 PolarHBondContact O-N 3.05Å; L440-L442 VanDerWaalsContact C-N 3.34Å; L440-L442 PolarHBondContact O-N 2.88Å; L440-A443 PolarHBondContact O-N 3.36Å; L440-A443 VanDerWaalsContact O-N 3.16Å; L440-C444 PolarHBondContact O-N 3.16Å
441	N	49.9	Very low	50.6	Low	99 Å²	99	115.2 Å²	115.2	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-62.6	-39.6	178.4	-82.1	-87.2	0	0	0	112.2	I437 R438 M445	I437-N441 PolarHBondContact O-N 3.21Å; I437-N441 PolarHBondContact O-ND2 3.02Å; R438-N441 PolarHBondContact O-N 3.46Å; N441-M445 WeakPolarHBondContact O-CG 3.39Å; N441-M445 PolarHBondContact O-N 2.98Å
442	L	51.5	Low	49.4	Very low	126 Å²	126	120.5 Å²	120.5	66%	0.66	59%	0.592	S	S	*	*	H	α-helix	trans	-66.9	-35.9	173.6	-113.5	69.6	0	0	0	112.9	R438 S439 L440 K446	R438-L442 PolarHBondContact O-N 3.44Å; S439-L442 PolarHBondContact O-N 3.45Å; L440-L442 VanDerWaalsContact C-N 3.34Å; L440-L442 PolarHBondContact O-N 2.88Å; L442-K446 PolarHBondContact O-N 3.41Å; L442-K446 VanDerWaalsContact O-N 3.15Å
443	A	46.1	Very low	47.8	Very low	51 Å²	51	123.7 Å²	123.7	42%	0.421	61%	0.61	S	S	.	*	H	α-helix	trans	-69	-44.2	176.8	0	0	0	0	0	111.9	S439 L440 K446 Y447	S439-A443 WeakPolarHBondContact O-CB 3.25Å; S439-A443 PolarHBondContact O-N 3.14Å; L440-A443 PolarHBondContact O-N 3.36Å; L440-A443 VanDerWaalsContact O-N 3.16Å; A443-K446 PolarHBondContact O-N 3.13Å; A443-Y447 PolarHBondContact O-N 3.21Å; A443-Y447 VanDerWaalsContact O-N 3.13Å
444	C	36.1	Very low	46.5	Very low	78 Å²	78	122.6 Å²	122.6	53%	0.527	62%	0.624	S	S	.	*	H	α-helix	trans	-62.6	-42.7	174.6	-76.8	0	0	0	0	112.1	L440 K446 Y447	L440-C444 PolarHBondContact O-N 3.16Å; C444-K446 VanDerWaalsContact C-N 3.28Å; C444-K446 PolarHBondContact O-N 3.24Å; C444-Y447 PolarHBondContact O-N 3.49Å
445	M	39.3	Very low	45.2	Very low	140 Å²	140	127.4 Å²	127.4	69%	0.69	65%	0.649	S	S	*	*	H	α-helix	trans	-61.3	-36.9	175	-74.4	-164.8	72.9	0	0	112.3	N441 Y447	N441-M445 WeakPolarHBondContact O-CG 3.39Å; N441-M445 PolarHBondContact O-N 2.98Å; M445-Y447 VanDerWaalsContact C-N 3.27Å; M445-Y447 PolarHBondContact O-N 3.18Å
446	K	39	Very low	43.6	Very low	144 Å²	144	132.7 Å²	132.7	63%	0.626	67%	0.671	S	S	*	*	H	α-helix	trans	-73.6	-10.8	174.2	-80.9	-163.7	168.4	-161.3	0	115.2	L442 A443 C444	L442-K446 PolarHBondContact O-N 3.41Å; L442-K446 VanDerWaalsContact O-N 3.15Å; A443-K446 PolarHBondContact O-N 3.13Å; C444-K446 VanDerWaalsContact C-N 3.28Å; C444-K446 PolarHBondContact O-N 3.24Å
447	Y	37.5	Very low	42.3	Very low	196 Å²	196	129.7 Å²	129.7	77%	0.769	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	0.9	178.9	-112.3	-80.9	0	0	0	113.7	A443 C444 M445	A443-Y447 PolarHBondContact O-N 3.21Å; A443-Y447 VanDerWaalsContact O-N 3.13Å; C444-Y447 PolarHBondContact O-N 3.49Å; M445-Y447 VanDerWaalsContact C-N 3.27Å; M445-Y447 PolarHBondContact O-N 3.18Å
448	I	42	Very low	40.9	Very low	138 Å²	138	130.9 Å²	130.9	71%	0.708	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-18.4	179.3	-65.6	168	0	0	0	111.5	V450	I448-V450 VanDerWaalsContact C-N 3.26Å; I448-V450 PolarHBondContact O-N 2.9Å
449	D	36	Very low	40	Very low	147 Å²	147	131.7 Å²	131.7	79%	0.786	70%	0.701	S	S	*	*			trans	-76.4	73.7	167.4	-72.9	-38.6	0	0	0	110.5
450	V	39.4	Very low	39.2	Very low	92 Å²	92	137.1 Å²	137.1	56%	0.558	72%	0.719	S	S	*	*			trans	-122	114.1	171.1	179.2	0	0	0	0	109.2	I448 Y452	I448-V450 VanDerWaalsContact C-N 3.26Å; I448-V450 PolarHBondContact O-N 2.9Å; V450-Y452 HydrophobicContact CG1-CD2 4.46Å; V450-Y452 HydrophobicContact CG1-CE2 4.38Å; V450-Y452 PolarHBondContact O-N 3.47Å
451	D	33	Very low	38.1	Very low	161 Å²	161	140.5 Å²	140.5	86%	0.861	73%	0.729	S	S	*	*			trans	-60.3	120.1	176.6	-71.4	-64.8	0	0	0	111.7
452	Y	36.8	Very low	37.3	Very low	215 Å²	215	144.6 Å²	144.6	84%	0.843	74%	0.742	S	S	*	*			trans	-109	104.5	168.5	-100.6	-87.1	0	0	0	110	V450	V450-Y452 HydrophobicContact CG1-CD2 4.46Å; V450-Y452 HydrophobicContact CG1-CE2 4.38Å; V450-Y452 PolarHBondContact O-N 3.47Å
453	P	32.6	Very low	36.3	Very low	103 Å²	103	146.4 Å²	146.4	67%	0.669	75%	0.745	S	S	*	*			trans	-77.7	146.5	177.9	31.4	-34.3	0	0	0	112.1
454	S	31.7	Very low	35.6	Very low	114 Å²	114	151.9 Å²	151.9	80%	0.797	77%	0.767	S	S	*	*			trans	45.1	90.5	156.3	59.7	0	0	0	0	118.1
455	L	35	Very low	35.4	Very low	181 Å²	181	154.8 Å²	154.8	95%	0.948	78%	0.777	S	S	*	*			trans	-136.4	148.4	150.5	-104.7	168.1	0	0	0	109.9
456	Q	32.8	Very low	35.2	Very low	193 Å²	193	156.9 Å²	156.9	90%	0.902	79%	0.789	S	S	*	*			trans	-133.2	64.3	-143.5	-167.4	176.7	-11.9	0	0	114.1
457	S	35.5	Very low	34.6	Very low	103 Å²	103	153.3 Å²	153.3	72%	0.72	79%	0.793	S	S	*	*			trans	-164.8	144.4	159.2	51.5	0	0	0	0	110.9
458	P	33.8	Very low	34.4	Very low	122 Å²	122	153 Å²	153	79%	0.792	80%	0.801	S	S	*	*			trans	-94	-9.3	-175	-10.3	30.2	0	0	0	116.8
459	E	38.6	Very low	33.8	Very low	182 Å²	182	153.7 Å²	153.7	85%	0.85	80%	0.799	S	S	*	*	S	Bend	trans	-91.5	-22.2	-153.3	-55.4	-147.5	136	0	0	116.6
460	E	39	Very low	33.8	Very low	178 Å²	178	155.7 Å²	155.7	83%	0.832	80%	0.803	S	S	*	*	S	Bend	trans	-89	-13.2	-176	-63.7	-165.6	138.5	0	0	114.8	F462	E460-F462 PolarHBondContact O-N 3.25Å
461	F	34	Very low	33.4	Very low	187 Å²	187	157 Å²	157	82%	0.82	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	13.8	-166.6	-140.9	-90.5	0	0	0	115.6
462	F	33.3	Very low	33.4	Very low	185 Å²	185	157.1 Å²	157.1	81%	0.811	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-3.2	-172.5	-135.9	-92.5	0	0	0	115.5	E460	E460-F462 PolarHBondContact O-N 3.25Å
463	F	32.1	Very low	33.1	Very low	164 Å²	164	152 Å²	152	72%	0.719	80%	0.802	S	S	*	*	S	Bend	trans	-126.4	-6.9	-172.6	-114.7	-96.7	0	0	0	116.6
464	L	30	Very low	33.1	Very low	167 Å²	167	152.2 Å²	152.2	87%	0.874	80%	0.803	S	S	*	*			trans	-135.6	74.9	-171.8	-79.2	168.5	0	0	0	113.5
465	D	32	Very low	33.1	Very low	138 Å²	138	154 Å²	154	74%	0.738	80%	0.802	S	S	*	*			trans	-154.2	46.4	158.3	-153.8	7.4	0	0	0	114.1
466	I	34.6	Very low	32.9	Very low	185 Å²	185	153 Å²	153	95%	0.949	80%	0.797	S	S	*	*			trans	-129.3	70.4	165.2	-52.8	-178.7	0	0	0	107.4
467	G	28	Very low	32.8	Very low	68 Å²	68	148.4 Å²	148.4	70%	0.701	79%	0.787	S	S	*	*			trans	-134.1	14.2	-166.3	0	0	0	0	0	116.3	K469	G467-K469 PolarHBondContact O-N 3.08Å
468	M	32	Very low	32.7	Very low	190 Å²	190	151.8 Å²	151.8	94%	0.936	80%	0.795	S	S	*	*			trans	-96.9	75	179.4	-72.5	-157.9	72	0	0	113.6
469	K	30.6	Very low	32.5	Very low	153 Å²	153	150.8 Å²	150.8	67%	0.665	79%	0.791	S	S	*	*			trans	41.8	94.5	133.9	-162.4	168.6	-173.3	-88.7	0	117.3	G467 D471	G467-K469 PolarHBondContact O-N 3.08Å; K469-D471 WeakPolarHBondContact CE-OD1 3.19Å; K469-D471 IonicContact NZ-OD1 3.61Å; K469-D471 PolarHBondContact NZ-OD1 2.86Å; K469-D471 IonicContact NZ-OD2 2.63Å; K469-D471 PolarHBondContact NZ-OD2 3.18Å; K469-D471 PolarHBondContact O-N 3.32Å
470	E	34.4	Very low	32.3	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.883	79%	0.786	S	S	*	*			trans	-71.2	108.2	154.9	-69.4	-175.4	146.1	0	0	108.9	I472	E470-I472 PolarHBondContact O-N 3.4Å
471	D	31.6	Very low	32	Very low	120 Å²	120	148.8 Å²	148.8	64%	0.642	78%	0.782	S	S	*	*			trans	-80.6	105.3	169.6	-86.8	-42.4	0	0	0	110	K469	K469-D471 WeakPolarHBondContact CE-OD1 3.19Å; K469-D471 IonicContact NZ-OD1 3.61Å; K469-D471 PolarHBondContact NZ-OD1 2.86Å; K469-D471 IonicContact NZ-OD2 2.63Å; K469-D471 PolarHBondContact NZ-OD2 3.18Å; K469-D471 PolarHBondContact O-N 3.32Å
472	I	32.9	Very low	32.1	Very low	163 Å²	163	148.9 Å²	148.9	84%	0.836	78%	0.784	S	S	*	*			trans	-61.8	135	175.8	-62.1	168.7	0	0	0	109.7	E470	E470-I472 PolarHBondContact O-N 3.4Å
473	S	31.7	Very low	32.1	Very low	107 Å²	107	144.5 Å²	144.5	75%	0.748	78%	0.783	S	S	*	*			trans	-123.8	146.6	162.3	47.3	0	0	0	0	110
474	P	32.7	Very low	32	Very low	107 Å²	107	144.1 Å²	144.1	70%	0.695	79%	0.788	S	S	*	*			trans	-101.8	153.7	-155.6	0.7	22	0	0	0	114
475	I	29.8	Very low	32.3	Very low	153 Å²	153	144.3 Å²	144.3	79%	0.785	79%	0.788	S	S	*	*			trans	37.9	116	133.7	-54.6	166	0	0	0	116.7
476	D	32.3	Very low	32.4	Very low	158 Å²	158	141.1 Å²	141.1	85%	0.845	79%	0.788	S	S	*	*				-152.4	160.3	119.1	-114	-29	0	0	0	113.4
477	S	30.6	Very low	32.2	Very low	97 Å²	97	137.1 Å²	137.1	68%	0.678	78%	0.782	S	S	*	*			trans	-75.6	150.5	-168.4	57.9	0	0	0	0	115.3
478	I	33.7	Very low	32.6	Very low	175 Å²	175	141 Å²	141	90%	0.897	79%	0.792	S	S	*	*				-155.4	140.3	125.4	-97.6	146.4	0	0	0	108.6
479	S	29.3	Very low	32.7	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	78%	0.784	S	S	*	*			trans	-132.9	130.6	173.2	56.2	0	0	0	0	108.3
480	E	34	Very low	33	Very low	162 Å²	162	138.3 Å²	138.3	76%	0.757	78%	0.784	S	S	*	*			trans	176.5	146.1	146.5	-105.3	177.2	135.8	0	0	111.3
481	Q	33.4	Very low	33	Very low	157 Å²	157	138.1 Å²	138.1	73%	0.734	78%	0.781	S	S	*	*			trans	63	145.1	152.8	-62.7	159	31.3	0	0	116.5
482	E	34.9	Very low	33	Very low	188 Å²	188	136.9 Å²	136.9	88%	0.879	79%	0.787	S	S	*	*			cis	-136.5	176.5	15	-129	163.9	171.9	0	0	111
483	A	33.2	Very low	33.2	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	79%	0.79	S	S	*	*			trans	-148.9	169	-177	0	0	0	0	0	113.6
484	D	30.6	Very low	33.4	Very low	155 Å²	155	136.1 Å²	136.1	83%	0.829	79%	0.79	S	S	*	*			trans	81.1	176.6	164.9	-139.9	-20.1	0	0	0	117.8
485	I	36.3	Very low	34.1	Very low	172 Å²	172	136.6 Å²	136.6	88%	0.882	79%	0.793	S	S	*	*			trans	75.6	117.8	-166.1	-47.7	172.1	0	0	0	112.9
486	G	33.7	Very low	34.6	Very low	70 Å²	70	135 Å²	135	72%	0.722	79%	0.793	S	S	*	*			cis	179.4	158.8	-6.1	0	0	0	0	0	111.2
487	A	29.6	Very low	35	Very low	102 Å²	102	133.3 Å²	133.3	84%	0.843	79%	0.79	S	S	*	*			trans	-133.4	129.9	-171.5	0	0	0	0	0	114.2
488	V	37	Very low	35.1	Very low	150 Å²	150	137.4 Å²	137.4	91%	0.909	80%	0.799	S	S	*	*			trans	-153.1	155.9	171.7	-171.9	0	0	0	0	108.8
489	N	33.6	Very low	35.4	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	79%	0.794	S	S	*	*				-169.1	170.2	-57.4	-155.6	-10.7	0	0	0	107.2
490	E	37.9	Very low	35.9	Very low	142 Å²	142	139.1 Å²	139.1	66%	0.664	80%	0.796	S	S	*	*			trans	66.3	153.1	165.8	-59.1	-157.4	119.1	0	0	119
491	K	34.7	Very low	35.8	Very low	186 Å²	186	136.9 Å²	136.9	81%	0.809	80%	0.798	S	S	*	*			cis	-154.8	175.4	-20	-121.6	175.1	-174.6	153	0	111.3
492	A	32.1	Very low	36.1	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	80%	0.795	S	S	*	*			trans	-98.5	169.2	-170.8	0	0	0	0	0	116.3
493	T	36	Very low	36.1	Very low	148 Å²	148	134.2 Å²	134.2	91%	0.908	79%	0.792	S	S	*	*			trans	-158.7	160.3	157.1	-72	0	0	0	0	109.8
494	S	35.7	Very low	36.2	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	79%	0.785	S	S	*	*			trans	-126.7	162.5	-158.1	53	0	0	0	0	116.9
495	P	46.8	Very low	36.6	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	78%	0.776	S	S	*	*			trans	-94.3	172	176.3	41	-38	0	0	0	113.5
496	P	41.5	Very low	36.7	Very low	119 Å²	119	133.5 Å²	133.5	77%	0.773	77%	0.765	S	S	*	*				-155.3	-151.2	90.2	44.7	-23.9	0	0	0	112.3
497	P	40.3	Very low	37	Very low	123 Å²	123	137.2 Å²	137.2	80%	0.799	77%	0.768	S	S	*	*			cis	-130	-155.6	-14.1	41.7	-21.6	0	0	0	115.1
498	Q	33.8	Very low	37.4	Very low	183 Å²	183	137 Å²	137	86%	0.855	76%	0.758	S	S	*	*			trans	-113.9	171.7	-168.8	-51.3	165.9	-79	0	0	114.6
499	H	39.7	Very low	37.2	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.796	76%	0.755	S	S	*	*			trans	-164.3	129.6	148.3	-109	-79.2	0	0	0	115.5
500	D	39.3	Very low	37.3	Very low	139 Å²	139	134.8 Å²	134.8	74%	0.743	76%	0.761	S	S	*	*			trans	59	169.6	144.1	-61.7	-22.4	0	0	0	127.5
501	S	32.1	Very low	37.3	Very low	114 Å²	114	136 Å²	136	80%	0.797	77%	0.772	S	S	*	*			trans	-154.2	-151.3	-171	-58.7	0	0	0	0	108
502	P	39.8	Very low	37.6	Very low	102 Å²	102	132.5 Å²	132.5	66%	0.662	77%	0.768	S	S	*	*			cis	-145.4	-167.5	-11.9	45.7	-26.5	0	0	0	116.9
503	K	33.8	Very low	37.9	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	77%	0.771	S	S	*	*			trans	75.6	159.7	153.2	-73.6	173.1	-177.1	174.3	0	119.3
504	K	35.7	Very low	37.9	Very low	147 Å²	147	135.5 Å²	135.5	64%	0.639	76%	0.759	S	S	*	*			cis	-163.4	167.2	4	-130.8	175.6	133	-138.7	0	114
505	E	38.5	Very low	37.9	Very low	134 Å²	134	136.5 Å²	136.5	63%	0.626	76%	0.756	S	S	*	*			trans	69.4	154.4	148.2	-78	160.9	142.2	0	0	123.5
506	D	39.9	Very low	37.4	Very low	124 Å²	124	138.4 Å²	138.4	66%	0.663	75%	0.752	S	S	*	*			cis	-174	139.8	-37.5	-115.1	37.7	0	0	0	116.1
507	L	38.8	Very low	37.1	Very low	148 Å²	148	139.3 Å²	139.3	78%	0.775	75%	0.75	S	S	*	*			trans	67.6	168.9	134.6	-95.6	64.5	0	0	0	125
508	P	38.2	Very low	36.8	Very low	99 Å²	99	143.1 Å²	143.1	64%	0.643	75%	0.754	S	S	*	*			trans	-146.4	-168.9	-133.9	41.4	-15.6	0	0	0	120.3
509	T	32.5	Very low	36.5	Very low	139 Å²	139	141.3 Å²	141.3	85%	0.853	75%	0.749	S	S	*	*			trans	64.9	135.9	151.1	40.9	0	0	0	0	124.6
510	A	36.6	Very low	36.2	Very low	106 Å²	106	141.1 Å²	141.1	88%	0.876	75%	0.752	S	S	*	*			trans	-166.9	165.9	153.3	0	0	0	0	0	112.5
511	D	37.1	Very low	35.6	Very low	167 Å²	167	142.5 Å²	142.5	89%	0.893	75%	0.754	S	S	*	*			trans	-121.5	174.1	-158.8	-102.5	-30.6	0	0	0	117.8
512	P	41.8	Very low	35.6	Very low	113 Å²	113	144.1 Å²	144.1	73%	0.734	76%	0.759	S	S	*	*			trans	-115.4	173.3	-162.3	43.7	-38.5	0	0	0	119.2
513	Q	37.4	Very low	35.2	Very low	179 Å²	179	143.9 Å²	143.9	84%	0.836	76%	0.76	S	S	*	*			trans	-164.3	160	176.3	-87	-158	19	0	0	111.2
514	I	36.3	Very low	35.1	Very low	125 Å²	125	141 Å²	141	64%	0.641	76%	0.758	S	S	*	*			cis	-169	166.7	-19.3	-125.5	174	0	0	0	110.4
515	N	36.3	Very low	34.9	Very low	129 Å²	129	139.5 Å²	139.5	69%	0.69	76%	0.763	S	S	*	*			trans	68.8	155	164.2	-82.9	-6.9	0	0	0	120.6
516	K	35.5	Very low	34.4	Very low	157 Å²	157	141.9 Å²	141.9	68%	0.683	77%	0.774	S	S	*	*			cis	-172.3	155.8	-24.1	-121.3	-177.5	-170	-174.7	0	113.5
517	D	36.3	Very low	34	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	78%	0.78	S	S	*	*			trans	60	155.5	157.2	-48.5	-27.1	0	0	0	118.3
518	K	33.2	Very low	33.4	Very low	203 Å²	203	140.1 Å²	140.1	88%	0.883	78%	0.778	S	S	*	*			cis	-155.3	165.5	16.3	-155.5	174.6	-176.7	-179.7	0	112.4
519	I	28	Very low	33.1	Very low	145 Å²	145	142.8 Å²	142.8	74%	0.744	79%	0.787	S	S	*	*			trans	-109.6	149.3	-171.5	-59.9	158.1	0	0	0	113.2	E521	I519-E521 HydrophobicContact CG2-CG 4.3Å
520	I	33.7	Very low	32.8	Very low	167 Å²	167	141.7 Å²	141.7	86%	0.856	79%	0.785	S	S	*	*			trans	-140.3	138.3	146.5	-61.7	-173.8	0	0	0	109.4
521	E	25.8	Very low	32.6	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	78%	0.782	S	S	*	*			trans	-103.1	155.2	176.2	-58.4	170.7	107.1	0	0	112.7	I519	I519-E521 HydrophobicContact CG2-CG 4.3Å
522	V	31.9	Very low	32.1	Very low	148 Å²	148	142.3 Å²	142.3	90%	0.897	78%	0.778	S	S	*	*			trans	-142.4	144.7	148.8	-174.9	0	0	0	0	108.1
523	S	31.6	Very low	31.6	Very low	98 Å²	98	144.7 Å²	144.7	69%	0.685	78%	0.783	S	S	*	*			trans	-136.5	-165.8	-169	56.2	0	0	0	0	112.6
524	V	31.9	Very low	31.2	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	77%	0.77	S	S	*	*			trans	84.3	131.9	167.2	-171.1	0	0	0	0	116.2
525	P	32.2	Very low	30.9	Very low	114 Å²	114	146 Å²	146	74%	0.74	78%	0.781	S	S	*	*			cis	-138.5	-171	-31.6	40.7	-21.6	0	0	0	113.8
526	E	26.9	Very low	30.5	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	78%	0.78	S	S	*	*			trans	-70.7	154	165.6	-64.5	168.1	94.5	0	0	113.4
527	V	32.5	Very low	30.1	Very low	131 Å²	131	147.9 Å²	147.9	79%	0.794	78%	0.784	S	S	*	*			trans	-131.2	103.6	155.2	178.8	0	0	0	0	109.1
528	S	26	Very low	29.6	Very low	104 Å²	104	148.5 Å²	148.5	73%	0.727	78%	0.782	S	S	*	*			trans	-71.8	136.9	168.9	57.4	0	0	0	0	111.1
529	N	31.4	Very low	29.3	Very low	156 Å²	156	148.9 Å²	148.9	83%	0.834	78%	0.778	S	S	*	*			trans	-146.3	120.6	155.3	-100.6	-40.8	0	0	0	110.9
530	S	26.4	Very low	29.1	Very low	115 Å²	115	148.4 Å²	148.4	80%	0.804	79%	0.786	S	S	*	*			trans	-87.8	135.2	178.7	51.3	0	0	0	0	111.6
531	V	31.9	Very low	28.8	Very low	136 Å²	136	148.9 Å²	148.9	82%	0.824	79%	0.785	S	S	*	*			trans	-136.7	142.8	161.7	-176.8	0	0	0	0	108.9
532	D	27.3	Very low	28.8	Very low	151 Å²	151	152.3 Å²	152.3	81%	0.807	79%	0.791	S	S	*	*			trans	-64.6	147.6	-162.7	-54.8	-90.4	0	0	0	116.9
533	I	31	Very low	28.7	Very low	162 Å²	162	154.5 Å²	154.5	83%	0.831	79%	0.791	S	S	*	*			trans	-136.5	94.4	151.9	-54.7	-179	0	0	0	108.9
534	D	28.4	Very low	28.5	Very low	108 Å²	108	157 Å²	157	58%	0.578	80%	0.797	S	S	*	*			trans	-89.7	109.4	157.9	-178.7	7.8	0	0	0	108.6	K536	D534-K536 PolarHBondContact OD1-N 2.89Å; D534-K536 IonicContact OD1-NZ 2.73Å; D534-K536 PolarHBondContact OD1-NZ 3.07Å; D534-K536 IonicContact OD2-NZ 3.18Å; D534-K536 PolarHBondContact OD2-NZ 2.7Å
535	Y	29.7	Very low	28.6	Very low	223 Å²	223	159 Å²	159	88%	0.875	80%	0.801	S	S	*	*			trans	-139.1	90.4	156	-117.9	-80.1	0	0	0	111.2
536	K	29.3	Very low	28.5	Very low	153 Å²	153	161.5 Å²	161.5	67%	0.665	81%	0.808	S	S	*	*			trans	-52.5	133.3	175.9	-76.3	174.5	-171.7	72.3	0	113.8	D534	D534-K536 PolarHBondContact OD1-N 2.89Å; D534-K536 IonicContact OD1-NZ 2.73Å; D534-K536 PolarHBondContact OD1-NZ 3.07Å; D534-K536 IonicContact OD2-NZ 3.18Å; D534-K536 PolarHBondContact OD2-NZ 2.7Å
537	K	25.9	Very low	28.6	Very low	173 Å²	173	162.1 Å²	162.1	75%	0.752	81%	0.808	S	S	*	*				66.7	106.1	126.8	-171.1	-144.8	178.4	-160	0	117.6
538	E	27.5	Very low	28.6	Very low	152 Å²	152	164 Å²	164	71%	0.71	81%	0.812	S	S	*	*				-169.5	161.2	110.3	-109.2	179.8	-157	0	0	114.9
539	R	25.6	Very low	28.8	Very low	210 Å²	210	164 Å²	164	79%	0.792	81%	0.812	S	S	*	*			trans	78.7	78.6	161.4	-155.9	174.9	-59	151.1	12.2	119.3
540	C	23.5	Very low	28.8	Very low	136 Å²	136	162 Å²	162	92%	0.919	81%	0.807	S	S	*	*			trans	-131.1	95.7	145.7	-85.3	0	0	0	0	109
541	E	27.1	Very low	29.1	Very low	177 Å²	177	164.2 Å²	164.2	83%	0.827	81%	0.81	S	S	*	*			trans	-166	112.2	173	-134.3	-179.9	-171.7	0	0	108.5
542	W	26.2	Very low	29.2	Very low	239 Å²	239	162.2 Å²	162.2	91%	0.905	81%	0.807	S	S	*	*			trans	-170.7	10.5	160.1	-96.1	122.8	0	0	0	114.8	N544	W542-N544 VanDerWaalsContact C-N 3.35Å; W542-N544 PolarHBondContact O-N 3.39Å
543	E	29.5	Very low	29.5	Very low	195 Å²	195	162.8 Å²	162.8	91%	0.911	81%	0.808	S	S	*	*			trans	-70.4	88.9	169.2	-73.4	-156.8	132.4	0	0	111.4
544	N	29	Very low	29.6	Very low	150 Å²	150	162.6 Å²	162.6	80%	0.802	81%	0.807	S	S	*	*			trans	-155.2	52.1	165.4	-105.2	-66.5	0	0	0	110.9	W542	W542-N544 VanDerWaalsContact C-N 3.35Å; W542-N544 PolarHBondContact O-N 3.39Å
545	I	33.1	Very low	29.8	Very low	169 Å²	169	168.2 Å²	168.2	87%	0.867	82%	0.821	S	S	*	*			trans	-77	138.1	167.9	-65.4	-178.2	0	0	0	109.2	K547	I545-K547 PolarHBondContact O-N 3.44Å
546	L	30.7	Very low	30.1	Very low	167 Å²	167	164 Å²	164	87%	0.874	82%	0.818	S	S	*	*			trans	-58	124.5	-165.9	-72.9	160	0	0	0	114.1
547	K	28.7	Very low	30.3	Very low	198 Å²	198	164.6 Å²	164.6	86%	0.861	82%	0.821	S	S	*	*			trans	-31	131.9	164.6	-56.8	168.9	-179.5	177.3	0	114.4	I545	I545-K547 PolarHBondContact O-N 3.44Å
548	I	32.2	Very low	30.6	Very low	171 Å²	171	163.9 Å²	163.9	88%	0.877	82%	0.82	S	S	*	*			trans	-148.9	149	137	-97.5	145.4	0	0	0	107.5
549	S	30.9	Very low	30.8	Very low	104 Å²	104	161.3 Å²	161.3	73%	0.727	83%	0.825	S	S	*	*			trans	-56.4	137.7	-158.9	-147	0	0	0	0	116.1
550	P	31.1	Very low	31	Very low	112 Å²	112	159 Å²	159	73%	0.727	83%	0.828	S	S	*	*			trans	-86.7	141.5	154.7	35.2	-30.4	0	0	0	110.5
551	D	32.7	Very low	31.2	Very low	163 Å²	163	158.7 Å²	158.7	87%	0.872	83%	0.825	S	S	*	*			trans	-168.7	143.5	152.2	-116.4	-35.4	0	0	0	110.9
552	A	34.4	Very low	31.1	Very low	93 Å²	93	156 Å²	156	77%	0.769	82%	0.824	S	S	*	*			trans	57.2	127.4	-175	0	0	0	0	0	115.4
553	I	32	Very low	31.2	Very low	163 Å²	163	155.5 Å²	155.5	84%	0.836	82%	0.822	S	S	*	*			cis	-142.7	136.5	32.9	-71.8	167.6	0	0	0	110.3
554	I	33.7	Very low	31.3	Very low	158 Å²	158	154 Å²	154	81%	0.81	82%	0.819	S	S	*	*			trans	-115.1	115.1	167.7	-62	172.6	0	0	0	109.8
555	R	33.8	Very low	31.5	Very low	227 Å²	227	149.5 Å²	149.5	86%	0.857	81%	0.808	S	S	*	*			trans	-175.8	165.3	145.3	-110.9	163.8	-88.2	-153.4	-3.4	112.6
556	T	34.5	Very low	31.3	Very low	134 Å²	134	148 Å²	148	82%	0.822	81%	0.806	S	S	*	*			trans	54.4	88.7	179.9	54.9	0	0	0	0	115
557	K	33.5	Very low	31.3	Very low	166 Å²	166	147 Å²	147	72%	0.722	81%	0.807	S	S	*	*				66.1	115.6	68.4	-83.3	-174	160.7	-80.1	0	116
558	E	32.2	Very low	31.2	Very low	157 Å²	157	141.9 Å²	141.9	73%	0.734	80%	0.802	S	S	*	*				53.5	98.7	128.7	-61.9	155.6	-173.9	0	0	119.9
559	A	33	Very low	31.2	Very low	99 Å²	99	142.1 Å²	142.1	82%	0.818	80%	0.803	S	S	*	*			trans	-162.8	142.8	141.8	0	0	0	0	0	110.5
560	D	28.3	Very low	31.1	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	80%	0.8	S	S	*	*			trans	-76.7	143.2	-179.4	-64.3	-73.1	0	0	0	114.1
561	P	29.4	Very low	31.1	Very low	129 Å²	129	141.8 Å²	141.8	84%	0.838	81%	0.807	S	S	*	*			trans	-112.6	80.8	163.8	36.9	-26.5	0	0	0	111.7
562	C	24	Very low	31.1	Very low	122 Å²	122	138.2 Å²	138.2	82%	0.824	80%	0.8	S	S	*	*			trans	-142.3	51.4	172.3	-157.1	0	0	0	0	113.8
563	R	29	Very low	30.8	Very low	228 Å²	228	141.7 Å²	141.7	86%	0.86	80%	0.798	S	S	*	*			trans	-166.4	147.6	163.1	-116.9	173.4	-170	-146.1	-0	112
564	I	31.9	Very low	30.8	Very low	164 Å²	164	140.9 Å²	140.9	84%	0.841	79%	0.791	S	S	*	*			trans	69.6	136.1	168.1	-53.2	153.9	0	0	0	113.3
565	G	32.8	Very low	30.7	Very low	55 Å²	55	139.2 Å²	139.2	57%	0.567	79%	0.793	S	S	*	*			cis	121.7	68.4	3.5	0	0	0	0	0	112.8
566	T	28.9	Very low	30.8	Very low	136 Å²	136	135.8 Å²	135.8	83%	0.834	79%	0.791	S	S	*	*			trans	30.9	113.8	157.9	55.2	0	0	0	0	119.3
567	V	29.4	Very low	30.6	Very low	147 Å²	147	135 Å²	135	89%	0.891	79%	0.791	S	S	*	*				178.3	153.3	112.8	150.1	0	0	0	0	111.2
568	A	28.3	Very low	30.6	Very low	91 Å²	91	131.7 Å²	131.7	75%	0.752	80%	0.795	S	S	*	*			trans	-51.1	148	-169.8	0	0	0	0	0	119.2
569	I	32.5	Very low	30.7	Very low	176 Å²	176	129.4 Å²	129.4	90%	0.903	80%	0.797	S	S	*	*			trans	-129.6	138.6	140.3	-59.3	179.2	0	0	0	106.6
570	G	27.3	Very low	31	Very low	64 Å²	64	130.6 Å²	130.6	66%	0.66	79%	0.787	S	S	*	*			trans	-134.9	167.6	170.1	0	0	0	0	0	110.7
571	V	32.2	Very low	31.7	Very low	144 Å²	144	126.1 Å²	126.1	87%	0.873	77%	0.765	S	S	*	*			trans	-173.4	137.9	164.7	130.4	0	0	0	0	109.9
572	A	32	Very low	32.2	Very low	88 Å²	88	127.2 Å²	127.2	73%	0.727	76%	0.759	S	S	*	*			trans	59.8	147.1	158.8	0	0	0	0	0	120.2
573	K	28.9	Very low	33.5	Very low	166 Å²	166	125.3 Å²	125.3	72%	0.722	75%	0.747	S	S	*	*			cis	-171.1	162.9	-24.8	-128.2	175.4	161.9	-141.4	0	109.5
574	E	31.2	Very low	34.7	Very low	147 Å²	147	117 Å²	117	69%	0.687	72%	0.719	S	S	*	*			trans	69.2	165.6	151.1	-75.9	157.5	-157.3	0	0	120.8
575	S	32.7	Very low	35.6	Very low	122 Å²	122	113.3 Å²	113.3	85%	0.853	70%	0.7	S	S	*	*			trans	69.6	117.8	-173.5	70.4	0	0	0	0	117.3
576	N	34.5	Very low	36.6	Very low	155 Å²	155	115 Å²	115	83%	0.829	70%	0.699	S	S	*	*			trans	-99.3	166.1	178.8	-78	-45.2	0	0	0	112
577	S	30.3	Very low	37.4	Very low	118 Å²	118	116.6 Å²	116.6	83%	0.825	69%	0.69	S	S	*	*			trans	54.1	83.7	148.2	61.1	0	0	0	0	118.1
578	A	33.6	Very low	38.2	Very low	97 Å²	97	113.2 Å²	113.2	80%	0.802	67%	0.667	S	S	*	*			trans	-128.2	106.8	141.8	0	0	0	0	0	108.3	M580	A578-M580 VanDerWaalsContact C-N 3.35Å; A578-M580 PolarHBondContact O-N 3.03Å
579	S	34.3	Very low	39	Very low	109 Å²	109	111.6 Å²	111.6	76%	0.762	65%	0.654	S	S	*	*			trans	-75.1	86.8	177.6	55	0	0	0	0	109.7	T581	S579-T581 WeakPolarHBondContact O-CG2 3.42Å; S579-T581 PolarHBondContact O-N 3.08Å
580	M	39.3	Very low	39.5	Very low	124 Å²	124	105.6 Å²	105.6	61%	0.611	64%	0.635	S	S	*	*			trans	-61.1	110.1	179.1	-172.1	169.3	60	0	0	109.7	A578 D584 I585	A578-M580 VanDerWaalsContact C-N 3.35Å; A578-M580 PolarHBondContact O-N 3.03Å; M580-D584 HydrophobicContact CG-CB 3.7Å; M580-I585 HydrophobicContact CE-CD1 4.38Å; M580-I585 HydrophobicContact CE-CG1 3.97Å; M580-I585 HydrophobicContact CG-CG1 4.16Å; M580-I585 HydrophobicContact SD-CG1 4.24Å
581	T	43.1	Very low	40	Very low	67 Å²	67	108 Å²	108	41%	0.411	63%	0.633	S	S	.	*			trans	-79.6	165.8	-175	72.2	0	0	0	0	110.8	S579 S583 D584 I585	S579-T581 WeakPolarHBondContact O-CG2 3.42Å; S579-T581 PolarHBondContact O-N 3.08Å; T581-S583 PolarHBondContact O-N 2.97Å; T581-S583 VanDerWaalsContact O-N 3.13Å; T581-S583 WeakPolarHBondContact OG1-CB 3.06Å; T581-S583 PolarHBondContact OG1-N 3.21Å; T581-D584 WeakPolarHBondContact CB-OD2 3.26Å; T581-D584 PolarHBondContact N-OD2 3.31Å; T581-D584 PolarHBondContact O-N 3.42Å; T581-D584 PolarHBondContact OG1-N 2.94Å; T581-D584 PolarHBondContact OG1-OD2 3.37Å; T581-I585 PolarHBondContact O-N 2.99Å
582	H	41.1	Very low	40.3	Very low	152 Å²	152	108 Å²	108	70%	0.704	63%	0.627	S	S	*	*	H	α-helix	trans	-59.2	-23.9	172.2	-160.8	-96.2	0	0	0	112.5	V586	H582-V586 WeakPolarHBondContact O-CG2 3.49Å; H582-V586 PolarHBondContact O-N 3.03Å
583	S	50.5	Low	40.7	Very low	82 Å²	82	114.2 Å²	114.2	57%	0.573	63%	0.633	S	S	*	*	H	α-helix	trans	-66.4	-41.2	170.9	-175.8	0	0	0	0	112.1	T581 V586 R587	T581-S583 PolarHBondContact O-N 2.97Å; T581-S583 VanDerWaalsContact O-N 3.13Å; T581-S583 WeakPolarHBondContact OG1-CB 3.06Å; T581-S583 PolarHBondContact OG1-N 3.21Å; S583-V586 PolarHBondContact O-N 2.89Å; S583-R587 WeakPolarHBondContact O-CB 3.39Å; S583-R587 PolarHBondContact O-N 3.08Å
584	D	54.8	Low	41.1	Very low	52 Å²	52	117.1 Å²	117.1	28%	0.278	64%	0.639	S	S	.	*	H	α-helix	trans	-72.7	-36.5	-174.9	-57.8	-58.2	0	0	0	111.3	M580 T581 R587 N588	M580-D584 HydrophobicContact CG-CB 3.7Å; T581-D584 WeakPolarHBondContact CB-OD2 3.26Å; T581-D584 PolarHBondContact N-OD2 3.31Å; T581-D584 PolarHBondContact O-N 3.42Å; T581-D584 PolarHBondContact OG1-N 2.94Å; T581-D584 PolarHBondContact OG1-OD2 3.37Å; D584-R587 PolarHBondContact O-N 3.48Å; D584-N588 WeakPolarHBondContact O-CB 3.23Å; D584-N588 VanDerWaalsContact O-CG 3.31Å; D584-N588 PolarHBondContact O-N 2.87Å; D584-N588 PolarHBondContact O-ND2 2.97Å
585	I	50.7	Low	41.6	Very low	87 Å²	87	118.7 Å²	118.7	45%	0.446	65%	0.647	S	S	.	*	H	α-helix	trans	-60.2	-47.4	171.8	-62.5	174.7	0	0	0	110.1	M580 T581 A589	M580-I585 HydrophobicContact CE-CD1 4.38Å; M580-I585 HydrophobicContact CE-CG1 3.97Å; M580-I585 HydrophobicContact CG-CG1 4.16Å; M580-I585 HydrophobicContact SD-CG1 4.24Å; T581-I585 PolarHBondContact O-N 2.99Å; I585-A589 VanDerWaalsContact O-CB 3.32Å; I585-A589 WeakPolarHBondContact O-CB 3.46Å; I585-A589 PolarHBondContact O-N 3.2Å
586	V	54.2	Low	41.9	Very low	90 Å²	90	124.5 Å²	124.5	55%	0.545	65%	0.65	S	S	.	*	H	α-helix	trans	-65.3	-39.6	176.6	172.3	0	0	0	0	111.8	H582 S583 G590	H582-V586 WeakPolarHBondContact O-CG2 3.49Å; H582-V586 PolarHBondContact O-N 3.03Å; S583-V586 PolarHBondContact O-N 2.89Å; V586-G590 PolarHBondContact O-N 3.35Å
587	R	45.3	Very low	41.6	Very low	170 Å²	170	120.7 Å²	120.7	64%	0.642	65%	0.647	S	S	*	*	H	α-helix	trans	-66.9	-40.5	179.3	-158.5	176	85.3	167.1	5.1	112.3	S583 D584 G590 L591	S583-R587 WeakPolarHBondContact O-CB 3.39Å; S583-R587 PolarHBondContact O-N 3.08Å; D584-R587 PolarHBondContact O-N 3.48Å; R587-G590 PolarHBondContact O-N 2.97Å; R587-L591 PolarHBondContact O-N 3.5Å
588	N	45.5	Very low	41.9	Very low	77 Å²	77	124 Å²	124	41%	0.412	65%	0.649	S	S	.	*	H	α-helix	trans	-74.3	-36.7	178.4	-69.5	-18.4	0	0	0	112	D584 G590 L591 L592	D584-N588 WeakPolarHBondContact O-CB 3.23Å; D584-N588 VanDerWaalsContact O-CG 3.31Å; D584-N588 PolarHBondContact O-N 2.87Å; D584-N588 PolarHBondContact O-ND2 2.97Å; N588-G590 VanDerWaalsContact C-N 3.33Å; N588-G590 PolarHBondContact O-N 2.86Å; N588-L591 PolarHBondContact O-N 2.83Å; N588-L592 PolarHBondContact O-N 2.91Å
589	A	45	Very low	41.7	Very low	57 Å²	57	126.4 Å²	126.4	47%	0.471	65%	0.648	S	S	.	*	H	α-helix	trans	-59.8	-42.4	169.9	0	0	0	0	0	111.9	I585 L591 L592 Y593	I585-A589 VanDerWaalsContact O-CB 3.32Å; I585-A589 WeakPolarHBondContact O-CB 3.46Å; I585-A589 PolarHBondContact O-N 3.2Å; A589-L591 VanDerWaalsContact C-N 3.29Å; A589-L591 PolarHBondContact O-N 3.23Å; A589-L592 PolarHBondContact O-N 3.48Å; A589-Y593 PolarHBondContact O-N 2.97Å
590	G	43.6	Very low	41.6	Very low	49 Å²	49	129.3 Å²	129.3	51%	0.505	65%	0.649	S	S	.	*	H	α-helix	trans	-64.4	-26.6	176.8	0	0	0	0	0	114.8	V586 R587 N588	V586-G590 PolarHBondContact O-N 3.35Å; R587-G590 PolarHBondContact O-N 2.97Å; N588-G590 VanDerWaalsContact C-N 3.33Å; N588-G590 PolarHBondContact O-N 2.86Å
591	L	38.5	Very low	41.2	Very low	116 Å²	116	131.4 Å²	131.4	61%	0.607	66%	0.655	S	S	*	*	H	α-helix	trans	-84.2	-40.2	175.9	-72.4	170.2	0	0	0	112.5	R587 N588 A589 Y593 R594	R587-L591 PolarHBondContact O-N 3.5Å; N588-L591 PolarHBondContact O-N 2.83Å; A589-L591 VanDerWaalsContact C-N 3.29Å; A589-L591 PolarHBondContact O-N 3.23Å; L591-Y593 PolarHBondContact O-N 2.92Å; L591-R594 PolarHBondContact O-N 3.49Å
592	L	38.5	Very low	40.7	Very low	143 Å²	143	139.3 Å²	139.3	75%	0.749	68%	0.677	S	S	*	*	H	α-helix	trans	-63	-27.7	176.1	-73.8	169.9	0	0	0	112.9	N588 A589 R594	N588-L592 PolarHBondContact O-N 2.91Å; A589-L592 PolarHBondContact O-N 3.48Å; L592-R594 PolarHBondContact O-N 2.85Å; L592-R594 VanDerWaalsContact O-N 3.17Å
593	Y	38.8	Very low	40.2	Very low	218 Å²	218	137.4 Å²	137.4	86%	0.855	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-6.2	177.6	-140.3	-91.6	0	0	0	114.5	A589 L591	A589-Y593 PolarHBondContact O-N 2.97Å; L591-Y593 PolarHBondContact O-N 2.92Å
594	R	38.9	Very low	39.4	Very low	228 Å²	228	143.7 Å²	143.7	86%	0.86	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	4.4	-173.2	-151.6	172.3	-177.8	171.8	0.8	115.2	L591 L592	L591-R594 PolarHBondContact O-N 3.49Å; L592-R594 PolarHBondContact O-N 2.85Å; L592-R594 VanDerWaalsContact O-N 3.17Å
595	Q	41.2	Very low	38.2	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	71%	0.711	S	S	*	*	S	Bend	trans	-134.7	9.1	-169.7	-127.7	178.5	7.9	0	0	117.4
596	R	38	Very low	37.2	Very low	244 Å²	244	152.4 Å²	152.4	92%	0.921	74%	0.736	S	S	*	*			trans	-126.1	70.5	173.3	-81.9	-173.7	170.3	161.1	-2.2	113.2
597	G	29.2	Very low	36	Very low	75 Å²	75	157.2 Å²	157.2	77%	0.773	75%	0.75	S	S	*	*			trans	-89.2	92.3	160.5	0	0	0	0	0	110.4
598	H	35.2	Very low	35.1	Very low	189 Å²	189	157.4 Å²	157.4	88%	0.875	76%	0.759	S	S	*	*			trans	-144.3	141.6	168.5	-113.7	-92.5	0	0	0	110.9
599	L	29.8	Very low	34.3	Very low	146 Å²	146	159.9 Å²	159.9	76%	0.764	77%	0.77	S	S	*	*			trans	-67.5	133.3	-174.2	-85.1	57.2	0	0	0	112.1
600	H	33.5	Very low	33.5	Very low	170 Å²	170	161.8 Å²	161.8	79%	0.787	78%	0.779	S	S	*	*			trans	-125.8	117	143.2	-106.2	-100	0	0	0	108.2
601	K	29.6	Very low	32.6	Very low	168 Å²	168	169.1 Å²	169.1	73%	0.73	79%	0.791	S	S	*	*			trans	-121	85.2	-170.1	-168.3	-177.8	-175.5	-178.3	0	109.7	T603	K601-T603 HydrophobicContact CG-CG2 4.18Å; K601-T603 PolarHBondContact O-N 2.93Å
602	W	32.2	Very low	32.2	Very low	234 Å²	234	171 Å²	171	89%	0.886	80%	0.797	S	S	*	*			trans	-74.1	114.6	174	-70.7	100.9	0	0	0	109.9
603	T	32.4	Very low	32.1	Very low	112 Å²	112	172.2 Å²	172.2	69%	0.687	79%	0.793	S	S	*	*			trans	-114.6	110	178	52.4	0	0	0	0	110.9	K601	K601-T603 HydrophobicContact CG-CG2 4.18Å; K601-T603 PolarHBondContact O-N 2.93Å
604	F	32.2	Very low	31.8	Very low	214 Å²	214	167.7 Å²	167.7	94%	0.939	78%	0.779	S	S	*	*			trans	-119.1	133.4	167.8	-127.9	-99.4	0	0	0	109.6
605	G	31.1	Very low	31.7	Very low	62 Å²	62	161 Å²	161	64%	0.639	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	17.8	93.9	173.3	0	0	0	0	0	121.4	F607	G605-F607 VanDerWaalsContact C-N 3.25Å; G605-F607 PolarHBondContact O-N 3.28Å
606	R	29.5	Very low	31.5	Very low	260 Å²	260	155.3 Å²	155.3	98%	0.981	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	39.5	14.5	145.3	-82.9	-166.3	179.7	-168.8	1.7	122
607	F	28.1	Very low	31.4	Very low	191 Å²	191	150.1 Å²	150.1	84%	0.838	73%	0.73	S	S	*	*			trans	-112.7	104.4	169.9	-87.7	-87.5	0	0	0	110.9	G605 I609	G605-F607 VanDerWaalsContact C-N 3.25Å; G605-F607 PolarHBondContact O-N 3.28Å; F607-I609 PolarHBondContact O-N 3.43Å
608	Q	27.5	Very low	31.7	Very low	174 Å²	174	152.6 Å²	152.6	81%	0.813	72%	0.72	S	S	*	*			trans	-94.5	77.5	-175.4	-171.4	173.6	-32.6	0	0	111.5	C610	Q608-C610 PolarHBondContact O-N 3.17Å
609	I	28	Very low	31.8	Very low	129 Å²	129	153 Å²	153	66%	0.662	71%	0.713	S	S	*	*			trans	-85.7	96.2	171.5	-56.3	178.7	0	0	0	108.8	F607 W611	F607-I609 PolarHBondContact O-N 3.43Å; I609-W611 PolarHBondContact O-N 3.19Å
610	C	27.7	Very low	32.4	Very low	96 Å²	96	154 Å²	154	65%	0.649	71%	0.714	S	S	*	*			trans	-72.5	94.2	178.1	-70.9	0	0	0	0	112.1	Q608 E612	Q608-C610 PolarHBondContact O-N 3.17Å; C610-E612 PolarHBondContact O-N 3.28Å
611	W	25.9	Very low	32.7	Very low	203 Å²	203	149.5 Å²	149.5	77%	0.769	69%	0.692	S	S	*	*			trans	-76.7	68.6	165.5	-85.8	88.3	0	0	0	111.8	I609 Y613	I609-W611 PolarHBondContact O-N 3.19Å; W611-Y613 HydrophobicContact CE3-CD2 4.07Å; W611-Y613 AromaticContact CE3-CE2 3.74Å; W611-Y613 HydrophobicContact CE3-CE2 3.74Å; W611-Y613 AromaticContact CZ3-CE2 3.82Å; W611-Y613 HydrophobicContact CZ3-CE2 3.82Å; W611-Y613 PolarHBondContact O-N 3.22Å
612	E	30	Very low	33.2	Very low	155 Å²	155	148.7 Å²	148.7	72%	0.724	69%	0.693	S	S	*	*			trans	-77.8	99.4	166.8	-79.2	-153.6	132.9	0	0	111.1	C610 H614	C610-E612 PolarHBondContact O-N 3.28Å; E612-H614 PolarHBondContact O-N 3.2Å
613	Y	34.7	Very low	33.6	Very low	170 Å²	170	141.9 Å²	141.9	67%	0.667	69%	0.686	S	S	*	*			trans	-68.4	75.6	168.6	-108.6	-90	0	0	0	110.7	W611 P615	W611-Y613 HydrophobicContact CE3-CD2 4.07Å; W611-Y613 AromaticContact CE3-CE2 3.74Å; W611-Y613 HydrophobicContact CE3-CE2 3.74Å; W611-Y613 AromaticContact CZ3-CE2 3.82Å; W611-Y613 HydrophobicContact CZ3-CE2 3.82Å; W611-Y613 PolarHBondContact O-N 3.22Å; Y613-P615 VanDerWaalsContact O-CD 3.3Å; Y613-P615 WeakPolarHBondContact O-CD 3.33Å
614	H	34	Very low	33.8	Very low	122 Å²	122	139.9 Å²	139.9	57%	0.565	68%	0.677	S	S	*	*			trans	-66.6	115	-175.8	-172.2	-140.4	0	0	0	111.5	E612 S616	E612-H614 PolarHBondContact O-N 3.2Å; H614-S616 PolarHBondContact CE1-OG 3.32Å; H614-S616 PolarHBondContact NE2-OG 2.92Å; H614-S616 PolarHBondContact O-N 3.02Å
615	P	36.6	Very low	33.8	Very low	89 Å²	89	134.9 Å²	134.9	58%	0.578	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-4.9	-166.9	26.1	-35.8	0	0	0	115.2	Y613 F617 F618	Y613-P615 VanDerWaalsContact O-CD 3.3Å; Y613-P615 WeakPolarHBondContact O-CD 3.33Å; P615-F617 PolarHBondContact O-N 3.28Å; P615-F618 PolarHBondContact O-N 3.38Å
616	S	36.5	Very low	34.3	Very low	58 Å²	58	137.2 Å²	137.2	41%	0.406	67%	0.672	S	S	.	*	H	α-helix	trans	-62	-26	178.2	-62.7	0	0	0	0	113.6	H614 F618 R619	H614-S616 PolarHBondContact CE1-OG 3.32Å; H614-S616 PolarHBondContact NE2-OG 2.92Å; H614-S616 PolarHBondContact O-N 3.02Å; S616-F618 VanDerWaalsContact C-N 3.29Å; S616-F618 PolarHBondContact O-N 2.03Å; S616-R619 PolarHBondContact O-N 3.35Å
617	F	35.3	Very low	34.5	Very low	136 Å²	136	131.3 Å²	131.3	60%	0.596	67%	0.665	S	S	*	*	H	α-helix	trans	-61.5	-34	178.1	-169.8	-105.3	0	0	0	113.1	V211 P615	V211-F617 HydrophobicContact CG1-CE1 3.91Å; V211-F617 HydrophobicContact CG1-CZ 4.2Å; P615-F617 PolarHBondContact O-N 3.28Å
618	F	36.1	Very low	34.7	Very low	127 Å²	127	133.1 Å²	133.1	56%	0.557	67%	0.666	S	S	*	*	H	α-helix	trans	-83.2	-35.8	179.3	-90.2	-86.6	0	0	0	113.8	P615 S616 H620 F621 M622	P615-F618 PolarHBondContact O-N 3.38Å; S616-F618 VanDerWaalsContact C-N 3.29Å; S616-F618 PolarHBondContact O-N 2.03Å; F618-H620 VanDerWaalsContact C-N 3.28Å; F618-H620 PolarHBondContact O-N 2.93Å; F618-F621 WeakPolarHBondContact O-CB 3.33Å; F618-F621 PolarHBondContact O-N 3.2Å; F618-M622 PolarHBondContact O-N 3.23Å
619	R	38	Very low	35	Very low	197 Å²	197	133.1 Å²	133.1	74%	0.743	67%	0.666	S	S	*	*	H	α-helix	trans	-56.6	-43.6	179.9	-73.1	-170.5	179.1	-178.6	1.6	111.8	S616 F621 M622 A623	S616-R619 PolarHBondContact O-N 3.35Å; R619-F621 PolarHBondContact O-N 3.24Å; R619-M622 PolarHBondContact O-N 3.45Å; R619-A623 PolarHBondContact O-N 3.47Å
620	H	42.4	Very low	35.3	Very low	168 Å²	168	131.2 Å²	131.2	78%	0.778	66%	0.664	S	S	*	*	H	α-helix	trans	-69.6	-15	-179.9	-132.1	-44.5	0	0	0	114.1	F618	F618-H620 VanDerWaalsContact C-N 3.28Å; F618-H620 PolarHBondContact O-N 2.93Å
621	F	38.5	Very low	35.6	Very low	74 Å²	74	134.3 Å²	134.3	33%	0.325	67%	0.674	S	S	.	*	H	α-helix	trans	-86	-41.2	176.1	-159.9	-69.3	0	0	0	111.4	V211 A214 F618 R619 S624	V211-F621 HydrophobicContact CG1-CD2 4.39Å; V211-F621 HydrophobicContact CG1-CE2 4Å; A214-F621 HydrophobicContact CB-CZ 4.26Å; F618-F621 WeakPolarHBondContact O-CB 3.33Å; F618-F621 PolarHBondContact O-N 3.2Å; R619-F621 PolarHBondContact O-N 3.24Å; F621-S624 PolarHBondContact O-OG 3.33Å; F621-S624 VanDerWaalsContact O-OG 3.13Å
622	M	40.2	Very low	36.1	Very low	152 Å²	152	133.6 Å²	133.6	75%	0.749	68%	0.68	S	S	*	*	H	α-helix	trans	-72.9	-35.6	-178.1	-67.5	-70.8	-80.9	0	0	113.1	F618 R619 S624	F618-M622 PolarHBondContact O-N 3.23Å; R619-M622 PolarHBondContact O-N 3.45Å; M622-S624 PolarHBondContact O-N 2.81Å
623	A	41.5	Very low	36.2	Very low	90 Å²	90	129.7 Å²	129.7	74%	0.744	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	31.2	-176.8	0	0	0	0	0	115	R619	R619-A623 PolarHBondContact O-N 3.47Å
624	S	37.1	Very low	36.3	Very low	71 Å²	71	128.5 Å²	128.5	50%	0.497	69%	0.691	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.2	36.5	-176.2	63.7	0	0	0	0	114.4	F621 M622	F621-S624 PolarHBondContact O-OG 3.33Å; F621-S624 VanDerWaalsContact O-OG 3.13Å; M622-S624 PolarHBondContact O-N 2.81Å
625	S	31.1	Very low	36.2	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-79.7	127.4	165.7	-163.7	0	0	0	0	110.2	V627	S625-V627 PolarHBondContact O-N 3.29Å
626	P	40.9	Very low	36.3	Very low	111 Å²	111	135.5 Å²	135.5	72%	0.721	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-74.6	126	174.8	30.3	-32	0	0	0	110.2	R628	P626-R628 PolarHBondContact O-N 3.07Å
627	V	33.6	Very low	36.2	Very low	137 Å²	137	140.9 Å²	140.9	83%	0.83	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-59	132.8	169.1	177.2	0	0	0	0	108.9	S625 E629	S625-V627 PolarHBondContact O-N 3.29Å; V627-E629 HydrophobicContact CG1-CG 4.37Å
628	R	33.2	Very low	36.2	Very low	228 Å²	228	140.7 Å²	140.7	86%	0.86	74%	0.744	S	S	*	*			trans	-108.9	88	178.7	179	-176.3	173.1	174.1	-4	108.2	P626 S630	P626-R628 PolarHBondContact O-N 3.07Å; R628-S630 PolarHBondContact O-N 3.16Å
629	E	33.4	Very low	36.2	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	76%	0.76	S	S	*	*			trans	-68.1	127.3	167.3	-75.9	176.5	141.5	0	0	109.7	V627	V627-E629 HydrophobicContact CG1-CG 4.37Å
630	S	35.2	Very low	35.7	Very low	89 Å²	89	142.1 Å²	142.1	62%	0.622	76%	0.756	S	S	*	*			trans	-116.2	99.1	172.8	49.3	0	0	0	0	108.4	R628 E632	R628-S630 PolarHBondContact O-N 3.16Å; S630-E632 VanDerWaalsContact C-N 3.31Å; S630-E632 PolarHBondContact O-N 3.01Å
631	N	34.6	Very low	35.3	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	76%	0.758	S	S	*	*			trans	-73.5	87.6	170.4	-72.4	4.4	0	0	0	109.4
632	E	36.1	Very low	35	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.883	77%	0.774	S	S	*	*			trans	-86.1	130.8	149.9	-72.4	-174.9	131	0	0	107.5	S630	S630-E632 VanDerWaalsContact C-N 3.31Å; S630-E632 PolarHBondContact O-N 3.01Å
633	G	31.8	Very low	34.9	Very low	73 Å²	73	141.1 Å²	141.1	75%	0.753	78%	0.779	S	S	*	*			trans	-119.8	150.8	179.8	0	0	0	0	0	110.9
634	T	36.9	Very low	34.7	Very low	144 Å²	144	141.1 Å²	141.1	88%	0.883	77%	0.774	S	S	*	*			trans	-142.9	149	165.1	-1.9	0	0	0	0	108.7
635	N	32.1	Very low	34.7	Very low	157 Å²	157	144.7 Å²	144.7	84%	0.84	79%	0.787	S	S	*	*			trans	-80.6	151	-167.5	-35.5	-74.8	0	0	0	112.1
636	E	37.7	Very low	35	Very low	201 Å²	201	146.3 Å²	146.3	94%	0.939	79%	0.787	S	S	*	*				-146.9	173	127.6	-123.6	171.2	-164.2	0	0	110.6
637	E	33.7	Very low	34.8	Very low	172 Å²	172	150 Å²	150	80%	0.804	80%	0.798	S	S	*	*			trans	-131.1	-176.9	-142.3	-155	-167.2	120	0	0	113.9
638	I	35.7	Very low	34.9	Very low	131 Å²	131	148 Å²	148	67%	0.672	80%	0.795	S	S	*	*			trans	81.9	82.1	159.7	-51.5	152.6	0	0	0	116.9
639	K	35.8	Very low	35	Very low	203 Å²	203	148.5 Å²	148.5	88%	0.883	80%	0.797	S	S	*	*				-174.8	146.1	103.6	-105.2	149.1	-174.1	168.6	0	114.9
640	K	27.8	Very low	35.3	Very low	151 Å²	151	148.5 Å²	148.5	66%	0.657	80%	0.801	S	S	*	*			trans	-119.7	159.6	170.3	-137.3	-169.4	-175.5	-157.2	0	108.3	D642	K640-D642 WeakPolarHBondContact CE-OD1 3.47Å; K640-D642 VanDerWaalsContact NZ-CG 3.25Å; K640-D642 IonicContact NZ-OD1 3.14Å; K640-D642 PolarHBondContact NZ-OD1 2.99Å; K640-D642 IonicContact NZ-OD2 2.7Å; K640-D642 PolarHBondContact NZ-OD2 3.03Å; K640-D642 VanDerWaalsContact NZ-OD2 3.14Å
641	P	35.5	Very low	35.3	Very low	128 Å²	128	152.3 Å²	152.3	83%	0.831	81%	0.814	S	S	*	*				-143	-173.5	86.7	36.9	-18.9	0	0	0	114.7
642	D	32.3	Very low	35.5	Very low	122 Å²	122	150.1 Å²	150.1	65%	0.652	81%	0.809	S	S	*	*			trans	-97	155.3	-163.8	-64.2	-91.2	0	0	0	116	K640	K640-D642 WeakPolarHBondContact CE-OD1 3.47Å; K640-D642 VanDerWaalsContact NZ-CG 3.25Å; K640-D642 IonicContact NZ-OD1 3.14Å; K640-D642 PolarHBondContact NZ-OD1 2.99Å; K640-D642 IonicContact NZ-OD2 2.7Å; K640-D642 PolarHBondContact NZ-OD2 3.03Å; K640-D642 VanDerWaalsContact NZ-OD2 3.14Å
643	S	36.9	Very low	35.4	Very low	124 Å²	124	150.3 Å²	150.3	87%	0.867	81%	0.807	S	S	*	*			trans	154.3	143.1	148.2	178.3	0	0	0	0	110.5
644	S	36.6	Very low	35.4	Very low	89 Å²	89	153.1 Å²	153.1	62%	0.622	81%	0.813	S	S	*	*			cis	-168.1	159.9	-29.8	-165.6	0	0	0	0	107.6
645	N	37.7	Very low	35.3	Very low	147 Å²	147	153.1 Å²	153.1	79%	0.786	81%	0.808	S	S	*	*			trans	68.3	158.5	165.9	-52.2	-3.1	0	0	0	116.9
646	D	37.2	Very low	35.3	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	81%	0.805	S	S	*	*			cis	-162.2	133.1	-43.6	-154.9	-22.6	0	0	0	108
647	M	36.7	Very low	35.2	Very low	190 Å²	190	146.1 Å²	146.1	94%	0.936	80%	0.796	S	S	*	*			trans	180	56.6	169	-105.3	-86.8	-90.7	0	0	112.9
648	A	35.7	Very low	35.1	Very low	94 Å²	94	147.5 Å²	147.5	78%	0.777	80%	0.8	S	S	*	*			trans	-127.3	56.3	178.8	0	0	0	0	0	113
649	R	36.5	Very low	34.9	Very low	238 Å²	238	146.4 Å²	146.4	90%	0.898	80%	0.804	S	S	*	*			trans	-152.1	44.8	-170.8	-129.2	-177.5	-135.6	-144.2	8.4	119.3
650	L	38.9	Very low	34.9	Very low	174 Å²	174	139.9 Å²	139.9	91%	0.911	79%	0.788	S	S	*	*			trans	-140.1	100.1	160.6	-77.1	-177.5	0	0	0	113
651	L	35.4	Very low	35.3	Very low	170 Å²	170	142.8 Å²	142.8	89%	0.89	80%	0.801	S	S	*	*	S	Bend	trans	164.9	147.6	136.5	-87.9	174.3	0	0	0	109.5
652	P	38.1	Very low	35.2	Very low	115 Å²	115	139.9 Å²	139.9	75%	0.747	79%	0.794	S	S	*	*			trans	-91.1	150.5	-159.1	-7.2	27.1	0	0	0	115.1
653	K	34.2	Very low	35.4	Very low	193 Å²	193	144.1 Å²	144.1	84%	0.839	81%	0.806	S	S	*	*			trans	-93.2	130.3	160	-67	179.8	-179.4	177	0	109.7
654	C	32.2	Very low	35.2	Very low	131 Å²	131	145.9 Å²	145.9	89%	0.885	81%	0.805	S	S	*	*			trans	-108.5	134.1	162.5	-73.7	0	0	0	0	109.7
655	N	34.9	Very low	35.1	Very low	144 Å²	144	146.4 Å²	146.4	77%	0.77	82%	0.815	S	S	*	*			trans	-111	123.9	-173.2	-69.3	-26.9	0	0	0	112.3
656	A	32.1	Very low	34.7	Very low	95 Å²	95	142.6 Å²	142.6	79%	0.785	81%	0.811	S	S	*	*			trans	61.5	-176.8	146.4	0	0	0	0	0	116.8
657	P	36.3	Very low	34.6	Very low	116 Å²	116	144 Å²	144	75%	0.753	82%	0.817	S	S	*	*			cis	-130.8	167.7	-8.7	42.9	-28.1	0	0	0	116.1
658	F	30.3	Very low	34.3	Very low	201 Å²	201	139.8 Å²	139.8	88%	0.882	81%	0.806	S	S	*	*			trans	37.1	127.2	144.5	-123.8	-110.9	0	0	0	122.2
659	S	32.5	Very low	33.9	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	81%	0.812	S	S	*	*				179.4	124.2	106.1	-164.4	0	0	0	0	115.7
660	A	35.3	Very low	33.8	Very low	66 Å²	66	142.4 Å²	142.4	55%	0.545	80%	0.799	S	S	.	*			trans	42.5	122.7	141.4	0	0	0	0	0	124.8
661	K	35.6	Very low	33.6	Very low	211 Å²	211	142.9 Å²	142.9	92%	0.917	79%	0.794	S	S	*	*			trans	69.4	140.9	142.8	-56.7	160.3	-172.8	174	0	117.8
662	G	33.2	Very low	33.4	Very low	67 Å²	67	142.7 Å²	142.7	69%	0.691	79%	0.786	S	S	*	*			cis	163	164.9	-6.3	0	0	0	0	0	112.4
663	K	36.8	Very low	33.3	Very low	211 Å²	211	146.9 Å²	146.9	92%	0.917	79%	0.793	S	S	*	*			trans	65.5	165.5	-177	-61.4	-179.3	179.4	-179.4	0	115.6
664	L	33	Very low	33.5	Very low	161 Å²	161	143.4 Å²	143.4	84%	0.843	79%	0.788	S	S	*	*			cis	-172.3	141	-45.5	-158.5	90	0	0	0	105.9
665	A	34.1	Very low	33.7	Very low	100 Å²	100	147.2 Å²	147.2	83%	0.826	79%	0.789	S	S	*	*			trans	60	152	-176	0	0	0	0	0	115.1
666	G	30.6	Very low	33.7	Very low	68 Å²	68	148.2 Å²	148.2	70%	0.701	79%	0.794	S	S	*	*			cis	123.9	65	2	0	0	0	0	0	112.1
667	L	34.7	Very low	33.7	Very low	169 Å²	169	148.4 Å²	148.4	89%	0.885	80%	0.796	S	S	*	*			trans	-153.7	139.8	174	-140.9	73.8	0	0	0	113.7
668	C	30.1	Very low	33.7	Very low	103 Å²	103	147.5 Å²	147.5	70%	0.696	80%	0.798	S	S	*	*			trans	45.6	101.8	152.6	-145.4	0	0	0	0	120.6	K670	C668-K670 PolarHBondContact O-N 3.31Å
669	W	27.8	Very low	33.9	Very low	242 Å²	242	141.8 Å²	141.8	92%	0.917	80%	0.795	S	S	*	*			trans	-74.2	82.5	161.8	-87.6	54.6	0	0	0	111.9
670	K	32.8	Very low	33.9	Very low	144 Å²	144	146 Å²	146	63%	0.626	80%	0.803	S	S	*	*			trans	-116.5	86.9	168.6	-147.7	175	-169.5	179.3	0	111	C668 K672	C668-K670 PolarHBondContact O-N 3.31Å; K670-K672 VanDerWaalsContact C-N 3.26Å; K670-K672 PolarHBondContact O-N 3.14Å
671	K	34.9	Very low	33.8	Very low	185 Å²	185	149.4 Å²	149.4	80%	0.804	82%	0.817	S	S	*	*			trans	-80.2	56.5	-164.8	-155.6	164.4	-168.1	162.3	0	114.3	K673	K671-K673 PolarHBondContact O-N 3.25Å
672	K	32.3	Very low	33.6	Very low	165 Å²	165	143.1 Å²	143.1	72%	0.717	81%	0.812	S	S	*	*			trans	-67.2	121.7	177.4	-146.5	172.4	-168.7	177.7	0	109.7	K670 T674	K670-K672 VanDerWaalsContact C-N 3.26Å; K670-K672 PolarHBondContact O-N 3.14Å; K672-T674 PolarHBondContact O-N 3.07Å; K672-T674 VanDerWaalsContact O-N 3.12Å
673	K	36.2	Very low	33.8	Very low	204 Å²	204	146.1 Å²	146.1	89%	0.887	82%	0.817	S	S	*	*			trans	-81.5	83.2	178.9	-86.3	-172.3	170.6	-175.6	0	111.3	K671 K675	K671-K673 PolarHBondContact O-N 3.25Å; K673-K675 PolarHBondContact O-N 2.85Å
674	T	38.3	Very low	33.6	Very low	119 Å²	119	141 Å²	141	73%	0.73	81%	0.814	S	S	*	*			trans	-70.1	124.6	159	39.2	0	0	0	0	109.3	K672 L676	K672-T674 PolarHBondContact O-N 3.07Å; K672-T674 VanDerWaalsContact O-N 3.12Å; T674-L676 PolarHBondContact O-N 3.09Å
675	K	35.3	Very low	33.6	Very low	212 Å²	212	136 Å²	136	92%	0.922	80%	0.802	S	S	*	*			trans	-73.5	109.7	160.5	-80.4	-178.3	174.7	178.6	0	106.8	K673	K673-K675 PolarHBondContact O-N 2.85Å
676	L	35.1	Very low	34	Very low	164 Å²	164	138.6 Å²	138.6	86%	0.859	80%	0.802	S	S	*	*			trans	-76.1	124.1	166.6	-146.2	74.1	0	0	0	107.9	T674	T674-L676 PolarHBondContact O-N 3.09Å
677	A	32.6	Very low	34.6	Very low	100 Å²	100	141.4 Å²	141.4	83%	0.826	81%	0.805	S	S	*	*			trans	-87.8	135.1	173.7	0	0	0	0	0	109.4
678	A	37.1	Very low	35.3	Very low	96 Å²	96	139.1 Å²	139.1	79%	0.793	79%	0.792	S	S	*	*			trans	-153.1	128.5	176.7	0	0	0	0	0	110.7
679	G	33	Very low	36.3	Very low	81 Å²	81	139.5 Å²	139.5	84%	0.835	79%	0.792	S	S	*	*			trans	61.8	111.2	155.6	0	0	0	0	0	118.7
680	E	32.4	Very low	37.3	Very low	197 Å²	197	131.8 Å²	131.8	92%	0.921	76%	0.763	S	S	*	*			trans	-74.7	125.1	160.9	-68.9	168.4	84.1	0	0	111.5
681	V	34.9	Very low	38.1	Very low	139 Å²	139	135.1 Å²	135.1	84%	0.842	77%	0.771	S	S	*	*			trans	-139.6	132.4	137.3	-178.7	0	0	0	0	107.2	T683	V681-T683 PolarHBondContact O-N 3.33Å
682	G	30	Very low	39	Very low	78 Å²	78	131.8 Å²	131.8	80%	0.804	76%	0.757	S	S	*	*			trans	-79	110.3	-171.8	0	0	0	0	0	114.2
683	T	36.9	Very low	40.2	Very low	130 Å²	130	126.1 Å²	126.1	80%	0.798	74%	0.738	S	S	*	*			trans	-142.5	111.9	158.3	-50.2	0	0	0	0	109.6	V681 G685	V681-T683 PolarHBondContact O-N 3.33Å; T683-G685 PolarHBondContact O-N 3.48Å
684	A	32.8	Very low	41.4	Very low	104 Å²	104	123 Å²	123	86%	0.86	72%	0.724	S	S	*	*			trans	-78.5	53.6	-172.3	0	0	0	0	0	113.5	N686	A684-N686 PolarHBondContact O-N 3.05Å
685	G	34.2	Very low	42.6	Very low	57 Å²	57	120.1 Å²	120.1	59%	0.588	71%	0.709	S	S	*	*			trans	-72.8	101.9	174.3	0	0	0	0	0	111.5	T683 V687	T683-G685 PolarHBondContact O-N 3.48Å; G685-V687 PolarHBondContact O-N 2.8Å
686	N	41.6	Very low	44	Very low	154 Å²	154	111.4 Å²	111.4	82%	0.824	67%	0.672	S	S	*	*			trans	-65.3	90.6	174	-90.8	-35.3	0	0	0	111.1	A684 I688	A684-N686 PolarHBondContact O-N 3.05Å; N686-I688 PolarHBondContact O-N 3.47Å
687	V	42.7	Very low	45.5	Very low	126 Å²	126	107.1 Å²	107.1	76%	0.764	65%	0.65	S	S	*	*			trans	-68.6	93.4	172.5	-177.4	0	0	0	0	109.1	G685 T689	G685-V687 PolarHBondContact O-N 2.8Å; V687-T689 HydrophobicContact CG1-CG2 4.1Å; V687-T689 PolarHBondContact O-N 3.35Å
688	I	50	Low	47.3	Very low	122 Å²	122	109.7 Å²	109.7	63%	0.626	64%	0.638	S	S	*	*			trans	-68.9	82.7	176.5	-51.5	179.9	0	0	0	109.1	F234 N686 Y690	F234-I688 VanDerWaalsContact CE1-O 3.3Å; F234-I688 WeakPolarHBondContact CE1-O 3.17Å; F234-I688 HydrophobicContact CZ-CB 4.19Å; F234-I688 HydrophobicContact CZ-CG2 3.86Å; F234-I688 WeakPolarHBondContact CZ-O 3.43Å; N686-I688 PolarHBondContact O-N 3.47Å; I688-Y690 PolarHBondContact O-N 3.18Å
689	T	50.9	Low	48.8	Very low	111 Å²	111	106.4 Å²	106.4	68%	0.681	61%	0.611	S	S	*	*			trans	-63.9	125.3	174	60.1	0	0	0	0	109.8	V687 R691	V687-T689 HydrophobicContact CG1-CG2 4.1Å; V687-T689 PolarHBondContact O-N 3.35Å; T689-R691 VanDerWaalsContact C-N 3.32Å; T689-R691 PolarHBondContact O-N 3.3Å
690	Y	48.6	Very low	50.7	Low	80 Å²	80	107 Å²	107	31%	0.314	59%	0.588	S	S	.	*			trans	-65.6	92.4	173.5	-173	-89.4	0	0	0	109.6	R231 F234 I688 K692	R231-Y690 HydrophobicContact CB-CD1 4.22Å; R231-Y690 HydrophobicContact CB-CE1 3.95Å; R231-Y690 HydrophobicContact CG-CD1 3.65Å; R231-Y690 HydrophobicContact CG-CE1 3.86Å; R231-Y690 HydrophobicContact CG-CG 4.15Å; F234-Y690 HydrophobicContact CB-CD2 4.27Å; F234-Y690 AromaticContact CD1-CD2 3.99Å; F234-Y690 HydrophobicContact CD1-CD2 3.99Å; F234-Y690 HydrophobicContact CD1-CG 4.3Å; F234-Y690 HydrophobicContact CD2-CD2 4.39Å; F234-Y690 HydrophobicContact CE1-CD2 4.47Å; F234-Y690 AromaticContact CG-CD2 3.95Å; F234-Y690 HydrophobicContact CG-CD2 3.95Å; I688-Y690 PolarHBondContact O-N 3.18Å; Y690-K692 PolarHBondContact O-N 2.86Å
691	R	51.1	Low	52.7	Low	213 Å²	213	103.5 Å²	103.5	80%	0.804	57%	0.569	S	S	*	*			trans	-62.2	116.4	175.7	-166.9	174.2	-169.1	166.7	4.1	107.5	T689 S693	T689-R691 VanDerWaalsContact C-N 3.32Å; T689-R691 PolarHBondContact O-N 3.3Å; R691-S693 PolarHBondContact O-N 3.2Å
692	K	52.2	Low	54.5	Low	115 Å²	115	98.1 Å²	98.1	50%	0.5	54%	0.54	S	S	.	.			trans	-43	119.7	172.3	-92	-172	172.1	-176.1	0	108.4	Y690 K694	Y690-K692 PolarHBondContact O-N 2.86Å; K692-K694 PolarHBondContact O-N 3.16Å
693	S	58	Low	57	Low	46 Å²	46	96.3 Å²	96.3	32%	0.322	51%	0.511	S	S	.	.			trans	-55.8	134.5	-174.3	179.1	0	0	0	0	110.6	R691 S695 E696	R691-S693 PolarHBondContact O-N 3.2Å; S693-S695 PolarHBondContact O-N 2.69Å; S693-S695 VanDerWaalsContact O-N 3.12Å; S693-S695 PolarHBondContact OG-N 3.45Å; S693-S695 PolarHBondContact OG-OG 3.47Å; S693-E696 PolarHBondContact O-N 2.94Å; S693-E696 VanDerWaalsContact O-N 3.09Å
694	K	61.7	Low	59.1	Low	139 Å²	139	99.4 Å²	99.4	60%	0.604	51%	0.508	S	S	*	.	H	α-helix	trans	-52.3	-33.4	171.9	-73.5	-173.4	175.6	-175.2	0	110.5	K692 N697 R698	K692-K694 PolarHBondContact O-N 3.16Å; K694-N697 PolarHBondContact O-N 3.27Å; K694-R698 WeakPolarHBondContact O-CG 3.46Å; K694-R698 PolarHBondContact O-N 3.34Å
695	S	63	Low	61.3	Low	59 Å²	59	95.8 Å²	95.8	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-62.3	-41.3	178	63.9	0	0	0	0	113.8	S693 N697 R698 A699	S693-S695 PolarHBondContact O-N 2.69Å; S693-S695 VanDerWaalsContact O-N 3.12Å; S693-S695 PolarHBondContact OG-N 3.45Å; S693-S695 PolarHBondContact OG-OG 3.47Å; S695-N697 VanDerWaalsContact C-N 3.32Å; S695-N697 PolarHBondContact O-N 2.88Å; S695-R698 PolarHBondContact O-N 3.45Å; S695-A699 WeakPolarHBondContact O-CB 3.46Å; S695-A699 PolarHBondContact O-N 3.02Å
696	E	64.8	Low	63.6	Low	28 Å²	28	93.4 Å²	93.4	13%	0.131	45%	0.449	C	S	.	.	H	α-helix	trans	-67.3	-34.1	-176.8	-162.1	-167.5	96.7	0	0	111.9	S227 S693 R700	S227-E696 WeakPolarHBondContact CB-OE2 3.32Å; S227-E696 PolarHBondContact OG-OE2 2.99Å; S693-E696 PolarHBondContact O-N 2.94Å; S693-E696 VanDerWaalsContact O-N 3.09Å; E696-R700 PolarHBondContact O-N 3.3Å; E696-R700 IonicContact OE1-CZ 2.71Å; E696-R700 IonicContact OE1-NH1 2.6Å; E696-R700 PolarHBondContact OE1-NH1 2.66Å; E696-R700 IonicContact OE1-NH2 2.89Å; E696-R700 PolarHBondContact OE1-NH2 3.26Å
697	N	68	Low	65.9	Low	74 Å²	74	89 Å²	89	40%	0.396	43%	0.428	S	S	.	.	H	α-helix	trans	-74.8	-38.1	172.8	-74.6	-11.2	0	0	0	112.2	K694 S695 R700 K701	K694-N697 PolarHBondContact O-N 3.27Å; S695-N697 VanDerWaalsContact C-N 3.32Å; S695-N697 PolarHBondContact O-N 2.88Å; N697-R700 PolarHBondContact OD1-NH2 3.38Å; N697-K701 PolarHBondContact O-N 3.42Å; N697-K701 VanDerWaalsContact O-N 3.09Å
698	R	68.5	Low	68	Low	155 Å²	155	86.1 Å²	86.1	59%	0.585	41%	0.411	S	S	*	.	H	α-helix	trans	-62.1	-45.6	173.4	-73.2	-166.1	-70.7	-154.8	5.6	111.3	K694 S695 K701 A702	K694-R698 WeakPolarHBondContact O-CG 3.46Å; K694-R698 PolarHBondContact O-N 3.34Å; S695-R698 PolarHBondContact O-N 3.45Å; R698-K701 PolarHBondContact O-N 2.74Å; R698-A702 PolarHBondContact O-N 3.18Å
699	A	69.7	Low	69.7	Low	26 Å²	26	80.7 Å²	80.7	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-58.5	-49.7	176.8	0	0	0	0	0	112.3	S695 K701 A702 L703	S695-A699 WeakPolarHBondContact O-CB 3.46Å; S695-A699 PolarHBondContact O-N 3.02Å; A699-K701 PolarHBondContact O-N 3.01Å; A699-A702 PolarHBondContact O-N 3.11Å; A699-L703 WeakPolarHBondContact O-CG 3.17Å; A699-L703 PolarHBondContact O-N 3.41Å
700	R	73.1	Confident	71.5	Confident	93 Å²	93	76.2 Å²	76.2	35%	0.351	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-37.5	176.9	-82.2	-172	-68.7	-101	-6.3	114	E696 N697 R704	E696-R700 PolarHBondContact O-N 3.3Å; E696-R700 IonicContact OE1-CZ 2.71Å; E696-R700 IonicContact OE1-NH1 2.6Å; E696-R700 PolarHBondContact OE1-NH1 2.66Å; E696-R700 IonicContact OE1-NH2 2.89Å; E696-R700 PolarHBondContact OE1-NH2 3.26Å; N697-R700 PolarHBondContact OD1-NH2 3.38Å; R700-R704 PolarHBondContact O-N 2.92Å
701	K	73.3	Confident	73.5	Confident	124 Å²	124	74.4 Å²	74.4	54%	0.539	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-50.5	174.1	-76	-170.7	176.3	-168.6	0	110.6	N697 R698 A699 L703 R704 T705	N697-K701 PolarHBondContact O-N 3.42Å; N697-K701 VanDerWaalsContact O-N 3.09Å; R698-K701 PolarHBondContact O-N 2.74Å; A699-K701 PolarHBondContact O-N 3.01Å; K701-L703 PolarHBondContact O-N 3.22Å; K701-R704 PolarHBondContact O-N 3.48Å; K701-R704 VanDerWaalsContact O-N 3.14Å; K701-T705 PolarHBondContact O-N 2.59Å; K701-T705 VanDerWaalsContact O-N 3.1Å; K701-T705 PolarHBondContact O-OG1 3.2Å
702	A	72.5	Confident	75.4	Confident	27 Å²	27	64.7 Å²	64.7	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-43.2	179	0	0	0	0	0	112.9	R698 A699 R704 T705 I706	R698-A702 PolarHBondContact O-N 3.18Å; A699-A702 PolarHBondContact O-N 3.11Å; A702-R704 VanDerWaalsContact C-N 3.34Å; A702-R704 PolarHBondContact O-N 3.2Å; A702-T705 WeakPolarHBondContact O-CB 3.25Å; A702-T705 PolarHBondContact O-N 3.25Å; A702-I706 VanDerWaalsContact O-CD1 3.29Å; A702-I706 WeakPolarHBondContact O-CD1 3.48Å; A702-I706 VanDerWaalsContact O-CG1 3.24Å; A702-I706 WeakPolarHBondContact O-CG1 3.31Å; A702-I706 PolarHBondContact O-N 3.14Å
703	L	83.2	Confident	77.2	Confident	39 Å²	39	59.3 Å²	59.3	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-54.3	-48.8	173.3	-75.1	179	0	0	0	111.9	I216 A220 A699 K701 T705 I706 T707	I216-L703 HydrophobicContact CG2-CD2 3.35Å; A220-L703 HydrophobicContact CB-CD1 3.79Å; A220-L703 HydrophobicContact CB-CD2 4.03Å; A220-L703 HydrophobicContact CB-CG 4.28Å; A699-L703 WeakPolarHBondContact O-CG 3.17Å; A699-L703 PolarHBondContact O-N 3.41Å; K701-L703 PolarHBondContact O-N 3.22Å; L703-T705 VanDerWaalsContact C-N 3.32Å; L703-T705 PolarHBondContact O-N 3.05Å; L703-I706 PolarHBondContact O-N 3.18Å; L703-T707 WeakPolarHBondContact O-CB 3.14Å; L703-T707 PolarHBondContact O-N 3.09Å; L703-T707 PolarHBondContact O-OG1 3.05Å
704	R	80.3	Confident	78.8	Confident	195 Å²	195	60 Å²	60	74%	0.736	30%	0.304	S	S	*	.	H	α-helix	trans	-60.9	-41.8	-179.7	-172.5	178.4	-178.5	174.3	1.4	111.3	R700 K701 A702 T707 V708	R700-R704 PolarHBondContact O-N 2.92Å; K701-R704 PolarHBondContact O-N 3.48Å; K701-R704 VanDerWaalsContact O-N 3.14Å; A702-R704 VanDerWaalsContact C-N 3.34Å; A702-R704 PolarHBondContact O-N 3.2Å; R704-T707 PolarHBondContact O-N 2.97Å; R704-V708 WeakPolarHBondContact O-CG2 3.23Å; R704-V708 PolarHBondContact O-N 3.35Å; R704-V708 VanDerWaalsContact O-N 3.08Å
705	T	80.5	Confident	80.4	Confident	28 Å²	28	55.8 Å²	55.8	17%	0.172	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-51.4	174	-53	0	0	0	0	111.9	K701 A702 L703 T707 V708 I709 A760	K701-T705 PolarHBondContact O-N 2.59Å; K701-T705 VanDerWaalsContact O-N 3.1Å; K701-T705 PolarHBondContact O-OG1 3.2Å; A702-T705 WeakPolarHBondContact O-CB 3.25Å; A702-T705 PolarHBondContact O-N 3.25Å; L703-T705 VanDerWaalsContact C-N 3.32Å; L703-T705 PolarHBondContact O-N 3.05Å; T705-T707 VanDerWaalsContact C-N 3.32Å; T705-T707 PolarHBondContact O-N 2.7Å; T705-V708 PolarHBondContact O-N 3.28Å; T705-I709 HydrophobicContact CG2-CD1 3.75Å; T705-I709 HydrophobicContact CG2-CG1 4.46Å; T705-I709 WeakPolarHBondContact O-CG1 3.35Å; T705-I709 PolarHBondContact O-N 2.89Å; T705-A760 HydrophobicContact CG2-CB 3.46Å; T705-A760 VanDerWaalsContact CG2-CB 3.46Å; T705-A760 WeakPolarHBondContact OG1-CB 3.42Å
706	I	83	Confident	81.9	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-41	-178.8	-60.8	154.1	0	0	0	110.7	R127 Y213 A702 L703 V708 I709 L710	R127-I706 HydrophobicContact CB-CD1 3.56Å; R127-I706 HydrophobicContact CB-CG1 4.26Å; R127-I706 HydrophobicContact CG-CD1 3.58Å; R127-I706 HydrophobicContact CG-CG1 3.87Å; Y213-I706 HydrophobicContact CD2-CG2 3.94Å; Y213-I706 HydrophobicContact CE2-CG2 4.26Å; A702-I706 VanDerWaalsContact O-CD1 3.29Å; A702-I706 WeakPolarHBondContact O-CD1 3.48Å; A702-I706 VanDerWaalsContact O-CG1 3.24Å; A702-I706 WeakPolarHBondContact O-CG1 3.31Å; A702-I706 PolarHBondContact O-N 3.14Å; L703-I706 PolarHBondContact O-N 3.18Å; I706-V708 VanDerWaalsContact C-N 3.3Å; I706-V708 PolarHBondContact O-N 3.11Å; I706-I709 PolarHBondContact O-N 3.43Å; I706-L710 HydrophobicContact CG2-CD1 3.69Å; I706-L710 HydrophobicContact CG2-CG 4.17Å; I706-L710 WeakPolarHBondContact O-CB 3.29Å; I706-L710 WeakPolarHBondContact O-CG 3.47Å; I706-L710 PolarHBondContact O-N 2.99Å
707	T	88.7	Confident	83.3	Confident	62 Å²	62	54 Å²	54	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-40.4	177.3	-47.6	0	0	0	0	111.5	Y213 L703 R704 T705 G711	Y213-T707 PolarHBondContact OH-OG1 2.9Å; Y213-T707 VanDerWaalsContact OH-OG1 3.11Å; L703-T707 WeakPolarHBondContact O-CB 3.14Å; L703-T707 PolarHBondContact O-N 3.09Å; L703-T707 PolarHBondContact O-OG1 3.05Å; R704-T707 PolarHBondContact O-N 2.97Å; T705-T707 VanDerWaalsContact C-N 3.32Å; T705-T707 PolarHBondContact O-N 2.7Å; T707-G711 WeakPolarHBondContact O-CA 3.13Å; T707-G711 PolarHBondContact O-N 3Å
708	V	86.4	Confident	84.5	Confident	66 Å²	66	51.9 Å²	51.9	40%	0.4	27%	0.27	S	S	.	.	H	α-helix	trans	-72.1	-45.7	178.3	173.4	0	0	0	0	111.3	R704 T705 I706 G711 A712	R704-V708 WeakPolarHBondContact O-CG2 3.23Å; R704-V708 PolarHBondContact O-N 3.35Å; R704-V708 VanDerWaalsContact O-N 3.08Å; T705-V708 PolarHBondContact O-N 3.28Å; I706-V708 VanDerWaalsContact C-N 3.3Å; I706-V708 PolarHBondContact O-N 3.11Å; V708-G711 PolarHBondContact O-N 2.91Å; V708-A712 VanDerWaalsContact O-CB 3.31Å; V708-A712 WeakPolarHBondContact O-CB 3.45Å; V708-A712 PolarHBondContact O-N 3.44Å
709	I	85.9	Confident	85.8	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-47.6	-179.9	-66.2	172.7	0	0	0	111	V120 T705 I706 A712 F713 C756 Y757	V120-I709 HydrophobicContact CG1-CG2 4.05Å; V120-I709 HydrophobicContact CG2-CG2 4.47Å; T705-I709 HydrophobicContact CG2-CD1 3.75Å; T705-I709 HydrophobicContact CG2-CG1 4.46Å; T705-I709 WeakPolarHBondContact O-CG1 3.35Å; T705-I709 PolarHBondContact O-N 2.89Å; I706-I709 PolarHBondContact O-N 3.43Å; I709-A712 PolarHBondContact O-N 2.7Å; I709-F713 WeakPolarHBondContact O-CB 3.48Å; I709-F713 PolarHBondContact O-N 2.97Å; I709-C756 HydrophobicContact CG1-CB 4.25Å; I709-Y757 HydrophobicContact CD1-CE1 3.88Å
710	L	89.3	Confident	86.9	Confident	17 Å²	17	45.8 Å²	45.8	9%	0.089	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-36.8	177.1	-69.6	178.6	0	0	0	112.2	V120 T124 M209 Y213 I706 F713 V714	V120-L710 HydrophobicContact CG1-CD2 3.91Å; T124-L710 HydrophobicContact CG2-CD1 4.2Å; M209-L710 HydrophobicContact CB-CD2 4.21Å; M209-L710 HydrophobicContact CG-CD2 4.2Å; M209-L710 HydrophobicContact SD-CD2 3.81Å; Y213-L710 HydrophobicContact CD2-CD1 3.78Å; Y213-L710 HydrophobicContact CG-CD1 3.99Å; I706-L710 HydrophobicContact CG2-CD1 3.69Å; I706-L710 HydrophobicContact CG2-CG 4.17Å; I706-L710 WeakPolarHBondContact O-CB 3.29Å; I706-L710 WeakPolarHBondContact O-CG 3.47Å; I706-L710 PolarHBondContact O-N 2.99Å; L710-F713 PolarHBondContact O-N 2.84Å; L710-V714 WeakPolarHBondContact O-CG2 3.3Å; L710-V714 PolarHBondContact O-N 3.23Å
711	G	90.4	Very high	87.9	Confident	41 Å²	41	41.8 Å²	41.8	42%	0.423	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-42.5	175	0	0	0	0	0	112.5	T707 V708 A715	T707-G711 WeakPolarHBondContact O-CA 3.13Å; T707-G711 PolarHBondContact O-N 3Å; V708-G711 PolarHBondContact O-N 2.91Å; G711-A715 VanDerWaalsContact O-CB 3.24Å; G711-A715 WeakPolarHBondContact O-CB 3.25Å; G711-A715 PolarHBondContact O-N 3.08Å
712	A	90	Very high	88.9	Confident	10 Å²	10	38.6 Å²	38.6	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-49.2	172.8	0	0	0	0	0	111.2	V708 I709 V714 A715 F716 I752	V708-A712 VanDerWaalsContact O-CB 3.31Å; V708-A712 WeakPolarHBondContact O-CB 3.45Å; V708-A712 PolarHBondContact O-N 3.44Å; I709-A712 PolarHBondContact O-N 2.7Å; A712-V714 PolarHBondContact O-N 2.75Å; A712-A715 PolarHBondContact O-N 3Å; A712-A715 VanDerWaalsContact O-N 3.16Å; A712-F716 HydrophobicContact CB-CD2 3.99Å; A712-F716 HydrophobicContact CB-CE2 4.03Å; A712-F716 WeakPolarHBondContact O-CB 3.45Å; A712-F716 WeakPolarHBondContact O-CD2 3.15Å; A712-F716 PolarHBondContact O-N 3.16Å; A712-I752 HydrophobicContact CB-CD1 4.37Å; A712-I752 HydrophobicContact CB-CG2 4.26Å
713	F	90.2	Very high	89.8	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-55.2	-47.9	178.9	178.3	-94.3	0	0	0	112.3	T117 V120 Y202 M209 I709 L710 W717	T117-F713 HydrophobicContact CG2-CE2 4.01Å; T117-F713 HydrophobicContact CG2-CZ 3.76Å; V120-F713 HydrophobicContact CG1-CG 4.48Å; Y202-F713 HydrophobicContact CD2-CZ 4.27Å; Y202-F713 AromaticContact CE2-CE1 3.87Å; Y202-F713 HydrophobicContact CE2-CE1 3.87Å; Y202-F713 AromaticContact CE2-CZ 3.72Å; Y202-F713 HydrophobicContact CE2-CZ 3.72Å; M209-F713 HydrophobicContact CE-CD1 4.25Å; M209-F713 HydrophobicContact CE-CE1 3.89Å; M209-F713 HydrophobicContact CE-CE2 4.41Å; M209-F713 HydrophobicContact CE-CZ 3.99Å; M209-F713 HydrophobicContact SD-CD1 3.72Å; M209-F713 HydrophobicContact SD-CE1 3.58Å; M209-F713 VanDerWaalsContact SD-CE1 3.58Å; M209-F713 HydrophobicContact SD-CZ 4.29Å; I709-F713 WeakPolarHBondContact O-CB 3.48Å; I709-F713 PolarHBondContact O-N 2.97Å; L710-F713 PolarHBondContact O-N 2.84Å; F713-W717 AromaticContact CD2-CD1 3.28Å; F713-W717 HydrophobicContact CD2-CG 4.12Å; F713-W717 AromaticContact CD2-NE1 3.48Å; F713-W717 AromaticContact CE2-CD1 3.46Å; F713-W717 VanDerWaalsContact CE2-CD1 3.46Å; F713-W717 HydrophobicContact CE2-CD2 4.31Å; F713-W717 AromaticContact CE2-CG 3.88Å; F713-W717 HydrophobicContact CE2-CG 3.88Å; F713-W717 AromaticContact CE2-NE1 3.6Å; F713-W717 AromaticContact CG-CD1 3.95Å; F713-W717 HydrophobicContact CZ-CG 4.34Å; F713-W717 WeakPolarHBondContact O-CB 3.37Å; F713-W717 VanDerWaalsContact O-CD1 3.25Å; F713-W717 PolarHBondContact O-N 2.97Å
714	V	93.3	Very high	90.2	Very high	60 Å²	60	37.1 Å²	37.1	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-64.2	-48.1	176.2	175.3	0	0	0	0	111.1	L206 L710 A712 F716 T718	L206-V714 HydrophobicContact CD1-CG2 3.67Å; L710-V714 WeakPolarHBondContact O-CG2 3.3Å; L710-V714 PolarHBondContact O-N 3.23Å; A712-V714 PolarHBondContact O-N 2.75Å; V714-F716 VanDerWaalsContact C-N 3.3Å; V714-F716 PolarHBondContact O-N 3.17Å; V714-T718 WeakPolarHBondContact O-CB 3.26Å; V714-T718 PolarHBondContact O-N 3.02Å; V714-T718 VanDerWaalsContact O-N 3.13Å; V714-T718 PolarHBondContact O-OG1 3.42Å
715	A	93.5	Very high	90.6	Very high	52 Å²	52	29.6 Å²	29.6	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-61.2	-37.5	-178.1	0	0	0	0	0	113.1	G711 A712 P719 M745	G711-A715 VanDerWaalsContact O-CB 3.24Å; G711-A715 WeakPolarHBondContact O-CB 3.25Å; G711-A715 PolarHBondContact O-N 3.08Å; A712-A715 PolarHBondContact O-N 3Å; A712-A715 VanDerWaalsContact O-N 3.16Å; A715-P719 VanDerWaalsContact O-CD 3.3Å; A715-P719 WeakPolarHBondContact O-CD 3.2Å; A715-P719 WeakPolarHBondContact O-CG 3.48Å; A715-M745 VanDerWaalsContact O-CE 3.24Å; A715-M745 WeakPolarHBondContact O-CE 3.42Å
716	F	94.5	Very high	91.1	Very high	44 Å²	44	31.7 Å²	31.7	19%	0.193	20%	0.197	C	C	.	.	H	α-helix	trans	-89.2	-38	-173.9	-71.3	-51.5	0	0	0	114	A712 V714 M745 C746 M748 N749 I752	A712-F716 HydrophobicContact CB-CD2 3.99Å; A712-F716 HydrophobicContact CB-CE2 4.03Å; A712-F716 WeakPolarHBondContact O-CB 3.45Å; A712-F716 WeakPolarHBondContact O-CD2 3.15Å; A712-F716 PolarHBondContact O-N 3.16Å; V714-F716 VanDerWaalsContact C-N 3.3Å; V714-F716 PolarHBondContact O-N 3.17Å; F716-M745 VanDerWaalsContact CB-O 3.28Å; F716-M745 WeakPolarHBondContact CB-O 3.29Å; F716-M745 HydrophobicContact CD1-CE 4.13Å; F716-M745 HydrophobicContact CD1-CG 3.86Å; F716-M745 WeakPolarHBondContact CD1-O 3.31Å; F716-M745 HydrophobicContact CE1-CE 4.49Å; F716-M745 CarbonylContact O-C 3.52Å; F716-C746 PolarHBondContact O-N 3.22Å; F716-M748 HydrophobicContact CD1-CB 3.58Å; F716-M748 HydrophobicContact CE1-CB 3.57Å; F716-M748 HydrophobicContact CE1-CG 4.37Å; F716-M748 HydrophobicContact CG-CB 4.2Å; F716-M748 HydrophobicContact CZ-CB 4.17Å; F716-N749 HydrophobicContact CB-CB 4Å; F716-N749 HydrophobicContact CD2-CB 4.23Å; F716-N749 HydrophobicContact CG-CB 4.41Å; F716-I752 HydrophobicContact CE2-CD1 4.04Å; F716-I752 HydrophobicContact CE2-CG2 4.28Å
717	W	94.3	Very high	91.3	Very high	4 Å²	4	36 Å²	36	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-91.3	-33.6	-177.4	-67.1	89.6	0	0	0	114.5	C113 Y202 F713 F720 Y721 C746 N749	C113-W717 HydrophobicContact CB-CH2 3.55Å; C113-W717 HydrophobicContact CB-CZ3 3.98Å; Y202-W717 HydrophobicContact CE2-CB 3.74Å; F713-W717 AromaticContact CD2-CD1 3.28Å; F713-W717 HydrophobicContact CD2-CG 4.12Å; F713-W717 AromaticContact CD2-NE1 3.48Å; F713-W717 AromaticContact CE2-CD1 3.46Å; F713-W717 VanDerWaalsContact CE2-CD1 3.46Å; F713-W717 HydrophobicContact CE2-CD2 4.31Å; F713-W717 AromaticContact CE2-CG 3.88Å; F713-W717 HydrophobicContact CE2-CG 3.88Å; F713-W717 AromaticContact CE2-NE1 3.6Å; F713-W717 AromaticContact CG-CD1 3.95Å; F713-W717 HydrophobicContact CZ-CG 4.34Å; F713-W717 WeakPolarHBondContact O-CB 3.37Å; F713-W717 VanDerWaalsContact O-CD1 3.25Å; F713-W717 PolarHBondContact O-N 2.97Å; W717-F720 PolarHBondContact O-N 3.26Å; W717-Y721 HydrophobicContact CB-CD2 4.32Å; W717-Y721 HydrophobicContact CB-CE2 4.23Å; W717-Y721 HydrophobicContact CD2-CE2 4.42Å; W717-Y721 AromaticContact CE3-CE2 3.61Å; W717-Y721 HydrophobicContact CE3-CE2 3.61Å; W717-Y721 HydrophobicContact CZ3-CE2 4.38Å; W717-Y721 VanDerWaalsContact O-CD2 3.31Å; W717-Y721 WeakPolarHBondContact O-CD2 3.49Å; W717-Y721 PolarHBondContact O-N 3.12Å; W717-C746 HydrophobicContact CD2-CB 4.13Å; W717-C746 HydrophobicContact CE3-CB 3.71Å; W717-C746 HydrophobicContact CH2-CB 4.32Å; W717-C746 HydrophobicContact CZ3-CB 3.83Å; W717-N749 PolarHBondContact NE1-ND2 3.31Å
718	T	94.5	Very high	91.1	Very high	30 Å²	30	34.1 Å²	34.1	18%	0.184	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-40.6	-175.3	-57.8	0	0	0	0	113.4	Y202 W203 V714 F720 Y721 V722	Y202-T718 VanDerWaalsContact OH-CA 3.3Å; Y202-T718 WeakPolarHBondContact OH-CA 3.39Å; Y202-T718 PolarHBondContact OH-N 3.45Å; Y202-T718 PolarHBondContact OH-OG1 2.99Å; W203-T718 HydrophobicContact CH2-CG2 4.3Å; V714-T718 WeakPolarHBondContact O-CB 3.26Å; V714-T718 PolarHBondContact O-N 3.02Å; V714-T718 VanDerWaalsContact O-N 3.13Å; V714-T718 PolarHBondContact O-OG1 3.42Å; T718-F720 VanDerWaalsContact C-N 3.33Å; T718-F720 PolarHBondContact O-N 2.87Å; T718-Y721 PolarHBondContact O-N 2.84Å; T718-V722 HydrophobicContact CG2-CG2 3.9Å; T718-V722 WeakPolarHBondContact O-CB 3.45Å; T718-V722 VanDerWaalsContact O-CG2 3.31Å; T718-V722 WeakPolarHBondContact O-CG2 3.11Å; T718-V722 PolarHBondContact O-N 3.46Å
719	P	94.7	Very high	91	Very high	43 Å²	43	37.8 Å²	37.8	28%	0.279	22%	0.217	S	C	.	.	H	α-helix	trans	-57.6	-43.2	179	-27.9	38.1	0	0	0	113.2	A715 L723 M745	A715-P719 VanDerWaalsContact O-CD 3.3Å; A715-P719 WeakPolarHBondContact O-CD 3.2Å; A715-P719 WeakPolarHBondContact O-CG 3.48Å; P719-L723 WeakPolarHBondContact O-CB 3.34Å; P719-L723 WeakPolarHBondContact O-CD1 3.38Å; P719-L723 VanDerWaalsContact O-CG 3.25Å; P719-L723 WeakPolarHBondContact O-CG 3.49Å; P719-L723 PolarHBondContact O-N 2.91Å; P719-M745 HydrophobicContact CB-SD 4.08Å; P719-M745 HydrophobicContact CG-CE 4.28Å; P719-M745 HydrophobicContact CG-SD 3.81Å
720	F	94.1	Very high	91.1	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.048	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-53.1	176.4	173	-114.4	0	0	0	111.9	W717 T718 V722 L723 A724 Y739 Y743 C746	W717-F720 PolarHBondContact O-N 3.26Å; T718-F720 VanDerWaalsContact C-N 3.33Å; T718-F720 PolarHBondContact O-N 2.87Å; F720-V722 VanDerWaalsContact C-N 3.28Å; F720-V722 PolarHBondContact O-N 3.4Å; F720-L723 PolarHBondContact O-N 2.89Å; F720-L723 VanDerWaalsContact O-N 3.09Å; F720-A724 HydrophobicContact CE2-CB 4.16Å; F720-A724 HydrophobicContact CZ-CB 4.21Å; F720-A724 VanDerWaalsContact O-CB 3.32Å; F720-A724 WeakPolarHBondContact O-CB 3.37Å; F720-A724 PolarHBondContact O-N 3.01Å; F720-Y739 HydrophobicContact CD2-CE2 4.45Å; F720-Y739 AromaticContact CE2-CE2 3.91Å; F720-Y739 HydrophobicContact CE2-CE2 3.91Å; F720-Y739 AromaticContact CE2-CZ 3.79Å; F720-Y743 HydrophobicContact CD2-CD2 4.09Å; F720-Y743 AromaticContact CE2-CD2 3.5Å; F720-Y743 HydrophobicContact CE2-CD2 3.5Å; F720-Y743 VanDerWaalsContact CE2-CD2 3.5Å; F720-Y743 HydrophobicContact CE2-CE2 4.01Å; F720-Y743 HydrophobicContact CE2-CG 4.49Å; F720-Y743 AromaticContact CZ-CD2 3.92Å; F720-Y743 HydrophobicContact CZ-CD2 3.92Å; F720-Y743 AromaticContact CZ-CE2 3.96Å; F720-Y743 HydrophobicContact CZ-CE2 3.96Å; F720-C746 WeakPolarHBondContact CB-SG 3.41Å
721	Y	93.6	Very high	90.8	Very high	9 Å²	9	42 Å²	42	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-29.3	-177.3	-69.9	-65.9	0	0	0	113.2	Y198 Y201 Y202 W717 T718 T725	Y198-Y721 HydrophobicContact CD1-CD1 4.04Å; Y198-Y721 HydrophobicContact CD1-CE1 4.15Å; Y198-Y721 HydrophobicContact CG-CD1 4.36Å; Y201-Y721 AromaticContact CE2-CE1 3.77Å; Y201-Y721 HydrophobicContact CE2-CE1 3.77Å; Y201-Y721 AromaticContact CE2-CZ 3.93Å; Y202-Y721 HydrophobicContact CD1-CD1 4.38Å; Y202-Y721 AromaticContact CD1-CD2 3.39Å; Y202-Y721 HydrophobicContact CD1-CD2 3.39Å; Y202-Y721 HydrophobicContact CD1-CE2 4.14Å; Y202-Y721 AromaticContact CD1-CG 3.53Å; Y202-Y721 HydrophobicContact CD1-CG 3.53Å; Y202-Y721 AromaticContact CD2-CD2 3.28Å; Y202-Y721 HydrophobicContact CD2-CD2 3.28Å; Y202-Y721 AromaticContact CD2-CE2 3.18Å; Y202-Y721 HydrophobicContact CD2-CE2 3.18Å; Y202-Y721 HydrophobicContact CD2-CG 4.15Å; Y202-Y721 AromaticContact CE1-CD2 3.57Å; Y202-Y721 HydrophobicContact CE1-CD2 3.57Å; Y202-Y721 HydrophobicContact CE1-CE2 4.47Å; Y202-Y721 AromaticContact CE1-CG 3.96Å; Y202-Y721 HydrophobicContact CE1-CG 3.96Å; Y202-Y721 AromaticContact CE2-CD2 3.45Å; Y202-Y721 HydrophobicContact CE2-CD2 3.45Å; Y202-Y721 VanDerWaalsContact CE2-CD2 3.45Å; Y202-Y721 AromaticContact CE2-CE2 3.6Å; Y202-Y721 HydrophobicContact CE2-CE2 3.6Å; Y202-Y721 HydrophobicContact CG-CD1 4.21Å; Y202-Y721 AromaticContact CG-CD2 3.24Å; Y202-Y721 HydrophobicContact CG-CD2 3.24Å; Y202-Y721 HydrophobicContact CG-CE1 4.45Å; Y202-Y721 AromaticContact CG-CE2 3.48Å; Y202-Y721 HydrophobicContact CG-CE2 3.48Å; Y202-Y721 VanDerWaalsContact CG-CE2 3.48Å; Y202-Y721 AromaticContact CG-CG 3.63Å; Y202-Y721 HydrophobicContact CG-CG 3.63Å; Y202-Y721 AromaticContact CZ-CD2 3.59Å; W717-Y721 HydrophobicContact CB-CD2 4.32Å; W717-Y721 HydrophobicContact CB-CE2 4.23Å; W717-Y721 HydrophobicContact CD2-CE2 4.42Å; W717-Y721 AromaticContact CE3-CE2 3.61Å; W717-Y721 HydrophobicContact CE3-CE2 3.61Å; W717-Y721 HydrophobicContact CZ3-CE2 4.38Å; W717-Y721 VanDerWaalsContact O-CD2 3.31Å; W717-Y721 WeakPolarHBondContact O-CD2 3.49Å; W717-Y721 PolarHBondContact O-N 3.12Å; T718-Y721 PolarHBondContact O-N 2.84Å; Y721-T725 VanDerWaalsContact O-CB 3.23Å; Y721-T725 WeakPolarHBondContact O-CB 3.42Å; Y721-T725 PolarHBondContact O-N 3.38Å; Y721-T725 PolarHBondContact O-OG1 3.13Å
722	V	93.4	Very high	90.7	Very high	57 Å²	57	49.4 Å²	49.4	35%	0.345	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-49.2	169.1	169.9	0	0	0	0	110.8	W203 T718 F720 T725 I726	W203-V722 HydrophobicContact CH2-CG2 3.69Å; W203-V722 HydrophobicContact CZ2-CG2 3.9Å; T718-V722 HydrophobicContact CG2-CG2 3.9Å; T718-V722 WeakPolarHBondContact O-CB 3.45Å; T718-V722 VanDerWaalsContact O-CG2 3.31Å; T718-V722 WeakPolarHBondContact O-CG2 3.11Å; T718-V722 PolarHBondContact O-N 3.46Å; F720-V722 VanDerWaalsContact C-N 3.28Å; F720-V722 PolarHBondContact O-N 3.4Å; V722-T725 WeakPolarHBondContact O-CB 3.27Å; V722-T725 PolarHBondContact O-N 3.14Å; V722-I726 HydrophobicContact CG1-CD1 4.04Å; V722-I726 WeakPolarHBondContact O-CG1 3.28Å; V722-I726 PolarHBondContact O-N 2.64Å
723	L	93	Very high	90.8	Very high	33 Å²	33	52.2 Å²	52.2	17%	0.173	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-36.6	-177.8	-70.5	165.4	0	0	0	112.7	P719 F720 I726 Y727 V734 V738	P719-L723 WeakPolarHBondContact O-CB 3.34Å; P719-L723 WeakPolarHBondContact O-CD1 3.38Å; P719-L723 VanDerWaalsContact O-CG 3.25Å; P719-L723 WeakPolarHBondContact O-CG 3.49Å; P719-L723 PolarHBondContact O-N 2.91Å; F720-L723 PolarHBondContact O-N 2.89Å; F720-L723 VanDerWaalsContact O-N 3.09Å; L723-I726 PolarHBondContact O-N 3.08Å; L723-Y727 VanDerWaalsContact O-CB 3.26Å; L723-Y727 WeakPolarHBondContact O-CB 3.31Å; L723-Y727 PolarHBondContact O-N 3.43Å; L723-V734 HydrophobicContact CD2-CG1 3.93Å; L723-V734 HydrophobicContact CD2-CG2 4.03Å; L723-V738 HydrophobicContact CD1-CG1 3.83Å; L723-V738 HydrophobicContact CD2-CG1 4.21Å
724	A	89.7	Confident	90.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-35.9	172.7	0	0	0	0	0	112.1	Y198 F720 I726 Y727 G728 Y739	Y198-A724 HydrophobicContact CE2-CB 3.71Å; F720-A724 HydrophobicContact CE2-CB 4.16Å; F720-A724 HydrophobicContact CZ-CB 4.21Å; F720-A724 VanDerWaalsContact O-CB 3.32Å; F720-A724 WeakPolarHBondContact O-CB 3.37Å; F720-A724 PolarHBondContact O-N 3.01Å; A724-I726 VanDerWaalsContact C-N 3.33Å; A724-Y727 PolarHBondContact O-N 3.14Å; A724-G728 PolarHBondContact O-N 2.91Å; A724-Y739 HydrophobicContact CB-CE2 4.09Å
725	T	89.4	Confident	90.7	Very high	38 Å²	38	53.8 Å²	53.8	23%	0.233	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-41.1	170.6	-59.8	0	0	0	0	111	M195 Y721 V722 F729	M195-T725 WeakPolarHBondContact CE-O 3.34Å; M195-T725 HydrophobicContact SD-CG2 3.89Å; Y721-T725 VanDerWaalsContact O-CB 3.23Å; Y721-T725 WeakPolarHBondContact O-CB 3.42Å; Y721-T725 PolarHBondContact O-N 3.38Å; Y721-T725 PolarHBondContact O-OG1 3.13Å; V722-T725 WeakPolarHBondContact O-CB 3.27Å; V722-T725 PolarHBondContact O-N 3.14Å; T725-F729 HydrophobicContact CG2-CE2 4.39Å; T725-F729 WeakPolarHBondContact O-CD2 3.43Å
726	I	90.8	Very high	90.5	Very high	71 Å²	71	54.2 Å²	54.2	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-48.8	176.1	-64.7	163.1	0	0	0	110.7	V722 L723 A724 G728 F729 C730 C733 V734	V722-I726 HydrophobicContact CG1-CD1 4.04Å; V722-I726 WeakPolarHBondContact O-CG1 3.28Å; V722-I726 PolarHBondContact O-N 2.64Å; L723-I726 PolarHBondContact O-N 3.08Å; A724-I726 VanDerWaalsContact C-N 3.33Å; I726-G728 VanDerWaalsContact C-N 3.33Å; I726-G728 PolarHBondContact O-N 2.82Å; I726-F729 CarbonylContact O-C 3.58Å; I726-F729 PolarHBondContact O-N 2.7Å; I726-C730 PolarHBondContact O-N 2.96Å; I726-C733 HydrophobicContact CG2-CB 3.88Å; I726-V734 HydrophobicContact CB-CG2 4.08Å; I726-V734 HydrophobicContact CG2-CG2 3.72Å
727	Y	87.2	Confident	90.3	Very high	97 Å²	97	56 Å²	56	38%	0.38	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-41	-175.9	-173.4	-96.5	0	0	0	112.6	L723 A724 F729 C730 D731 V734	L723-Y727 VanDerWaalsContact O-CB 3.26Å; L723-Y727 WeakPolarHBondContact O-CB 3.31Å; L723-Y727 PolarHBondContact O-N 3.43Å; A724-Y727 PolarHBondContact O-N 3.14Å; Y727-F729 PolarHBondContact O-N 3.35Å; Y727-C730 CarbonylContact O-C 3.28Å; Y727-C730 VanDerWaalsContact O-C 3.28Å; Y727-C730 PolarHBondContact O-N 3.41Å; Y727-D731 HydrophobicContact CD2-CB 4.35Å; Y727-D731 HydrophobicContact CE2-CB 3.97Å; Y727-D731 PolarHBondContact O-N 2.85Å; Y727-D731 VanDerWaalsContact O-N 3.17Å; Y727-V734 HydrophobicContact CD2-CB 4.34Å
728	G	84.7	Confident	90.3	Very high	23 Å²	23	58.9 Å²	58.9	24%	0.237	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.5	176.7	0	0	0	0	0	115.6	P191 M195 A724 I726	P191-G728 VanDerWaalsContact CB-O 3.27Å; P191-G728 WeakPolarHBondContact CB-O 3.5Å; M195-G728 VanDerWaalsContact CE-CA 3.47Å; A724-G728 PolarHBondContact O-N 2.91Å; I726-G728 VanDerWaalsContact C-N 3.33Å; I726-G728 PolarHBondContact O-N 2.82Å
729	F	85.3	Confident	90.1	Very high	143 Å²	143	58.8 Å²	58.8	63%	0.627	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-20	168	-68.2	-61.5	0	0	0	113.2	M195 T725 I726 Y727	M195-F729 HydrophobicContact CE-CD2 3.9Å; M195-F729 HydrophobicContact CE-CE2 3.88Å; M195-F729 HydrophobicContact CE-CG 4.41Å; M195-F729 HydrophobicContact CE-CZ 4.4Å; M195-F729 HydrophobicContact CG-CE1 4.35Å; M195-F729 HydrophobicContact CG-CE2 3.82Å; M195-F729 HydrophobicContact CG-CZ 3.64Å; M195-F729 HydrophobicContact SD-CD2 4.33Å; M195-F729 HydrophobicContact SD-CE2 3.75Å; M195-F729 HydrophobicContact SD-CZ 4.21Å; T725-F729 HydrophobicContact CG2-CE2 4.39Å; T725-F729 WeakPolarHBondContact O-CD2 3.43Å; I726-F729 CarbonylContact O-C 3.58Å; I726-F729 PolarHBondContact O-N 2.7Å; Y727-F729 PolarHBondContact O-N 3.35Å
730	C	87.1	Confident	90	Very high	16 Å²	16	57.1 Å²	57.1	11%	0.108	30%	0.3	C	S	.	.			trans	-158.3	93.5	-178.8	-178.3	0	0	0	0	109.4	I726 Y727 Y732 C733	I726-C730 PolarHBondContact O-N 2.96Å; Y727-C730 CarbonylContact O-C 3.28Å; Y727-C730 VanDerWaalsContact O-C 3.28Å; Y727-C730 PolarHBondContact O-N 3.41Å; C730-Y732 VanDerWaalsContact SG-CE1 3.56Å; C730-Y732 VanDerWaalsContact SG-CE2 3.5Å; C730-C733 HydrophobicContact CB-CB 3.65Å; C730-C733 WeakPolarHBondContact CB-SG 3.4Å; C730-C733 WeakPolarHBondContact O-CB 3.31Å; C730-C733 PolarHBondContact O-N 3.47Å; C730-C733 WeakPolarHBondContact SG-CB 3.26Å; C730-C733 PolarHBondContact SG-N 3.08Å; C730-C733 CovalentContact SG-SG 2.03Å; C730-C733 PolarHBondContact SG-SG 2.91Å
731	D	83	Confident	90	Very high	98 Å²	98	61.7 Å²	61.7	52%	0.524	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-60	-46.5	178.8	57.3	-16.6	0	0	0	111.9	Y727 C733 V734	Y727-D731 HydrophobicContact CD2-CB 4.35Å; Y727-D731 HydrophobicContact CE2-CB 3.97Å; Y727-D731 PolarHBondContact O-N 2.85Å; Y727-D731 VanDerWaalsContact O-N 3.17Å; D731-C733 PolarHBondContact O-N 3.39Å; D731-V734 PolarHBondContact O-N 3.43Å
732	Y	87.9	Confident	90.1	Very high	196 Å²	196	61.4 Å²	61.4	77%	0.769	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-70	-11.5	178.3	67.7	-94.3	0	0	0	114.5	C730 V734	C730-Y732 VanDerWaalsContact SG-CE1 3.56Å; C730-Y732 VanDerWaalsContact SG-CE2 3.5Å; Y732-V734 VanDerWaalsContact C-N 3.32Å
733	C	91.6	Very high	90.1	Very high	70 Å²	70	59.7 Å²	59.7	47%	0.473	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-75.4	-19.2	178.5	-71.7	0	0	0	0	113.2	I726 C730 D731	I726-C733 HydrophobicContact CG2-CB 3.88Å; C730-C733 HydrophobicContact CB-CB 3.65Å; C730-C733 WeakPolarHBondContact CB-SG 3.4Å; C730-C733 WeakPolarHBondContact O-CB 3.31Å; C730-C733 PolarHBondContact O-N 3.47Å; C730-C733 WeakPolarHBondContact SG-CB 3.26Å; C730-C733 PolarHBondContact SG-N 3.08Å; C730-C733 CovalentContact SG-SG 2.03Å; C730-C733 PolarHBondContact SG-SG 2.91Å; D731-C733 PolarHBondContact O-N 3.39Å
734	V	89.8	Confident	90.2	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.055	31%	0.308	C	S	.	.	S	Bend	trans	-118.1	112	-177.7	-177.4	0	0	0	0	109.8	L723 I726 Y727 D731 Y732 N736 V738	L723-V734 HydrophobicContact CD2-CG1 3.93Å; L723-V734 HydrophobicContact CD2-CG2 4.03Å; I726-V734 HydrophobicContact CB-CG2 4.08Å; I726-V734 HydrophobicContact CG2-CG2 3.72Å; Y727-V734 HydrophobicContact CD2-CB 4.34Å; D731-V734 PolarHBondContact O-N 3.43Å; Y732-V734 VanDerWaalsContact C-N 3.32Å; V734-N736 PolarHBondContact O-N 3.17Å; V734-V738 HydrophobicContact CG1-CB 4.38Å
735	P	92.5	Very high	90.5	Very high	84 Å²	84	62.4 Å²	62.4	55%	0.545	32%	0.322	S	S	.	.			trans	-57.8	131.3	173.4	-23	33.2	0	0	0	110.5	T737 V738 Y739	P735-T737 PolarHBondContact O-N 3.02Å; P735-V738 HydrophobicContact CB-CG2 4.16Å; P735-V738 HydrophobicContact CG-CG2 4.32Å; P735-V738 WeakPolarHBondContact O-CA 3.17Å; P735-V738 WeakPolarHBondContact O-CB 3.33Å; P735-V738 PolarHBondContact O-N 3.34Å; P735-Y739 PolarHBondContact O-N 2.81Å
736	N	88.8	Confident	90.7	Very high	61 Å²	61	61 Å²	61	33%	0.326	31%	0.313	S	S	.	.	H	α-helix	trans	-50.6	-40.4	-174.4	175.7	-91.2	0	0	0	112.9	Q93 V734 V738 Y739 V740	Q93-N736 PolarHBondContact OE1-ND2 3.22Å; V734-N736 PolarHBondContact O-N 3.17Å; N736-V738 VanDerWaalsContact C-N 3.28Å; N736-V738 PolarHBondContact O-N 2.91Å; N736-Y739 WeakPolarHBondContact O-CB 3.11Å; N736-Y739 PolarHBondContact O-N 3.39Å; N736-Y739 VanDerWaalsContact O-N 3.14Å; N736-V740 WeakPolarHBondContact O-CB 3.47Å; N736-V740 WeakPolarHBondContact O-CG2 3.46Å; N736-V740 PolarHBondContact O-N 3.29Å
737	T	91	Very high	90.9	Very high	81 Å²	81	57.7 Å²	57.7	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-35.8	175.9	-42.9	0	0	0	0	113.3	P735 I741	P735-T737 PolarHBondContact O-N 3.02Å; T737-I741 HydrophobicContact CG2-CD1 4.08Å; T737-I741 WeakPolarHBondContact O-CB 3.25Å; T737-I741 WeakPolarHBondContact O-CD1 3.47Å; T737-I741 WeakPolarHBondContact O-CG1 3.41Å; T737-I741 PolarHBondContact O-N 3.3Å
738	V	93.3	Very high	91.2	Very high	66 Å²	66	55 Å²	55	40%	0.4	29%	0.288	S	S	.	.	H	α-helix	trans	-72.4	-40.9	177.5	179.2	0	0	0	0	110.5	L723 V734 P735 N736 I741 S742	L723-V738 HydrophobicContact CD1-CG1 3.83Å; L723-V738 HydrophobicContact CD2-CG1 4.21Å; V734-V738 HydrophobicContact CG1-CB 4.38Å; P735-V738 HydrophobicContact CB-CG2 4.16Å; P735-V738 HydrophobicContact CG-CG2 4.32Å; P735-V738 WeakPolarHBondContact O-CA 3.17Å; P735-V738 WeakPolarHBondContact O-CB 3.33Å; P735-V738 PolarHBondContact O-N 3.34Å; N736-V738 VanDerWaalsContact C-N 3.28Å; N736-V738 PolarHBondContact O-N 2.91Å; V738-I741 PolarHBondContact O-N 3.44Å; V738-S742 WeakPolarHBondContact O-CB 3.4Å; V738-S742 PolarHBondContact O-N 3.32Å
739	Y	92.2	Very high	91.4	Very high	27 Å²	27	54 Å²	54	11%	0.106	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-49.9	173.2	-173.9	-99	0	0	0	111.3	F720 A724 P735 N736 I741 S742 Y743	F720-Y739 HydrophobicContact CD2-CE2 4.45Å; F720-Y739 AromaticContact CE2-CE2 3.91Å; F720-Y739 HydrophobicContact CE2-CE2 3.91Å; F720-Y739 AromaticContact CE2-CZ 3.79Å; A724-Y739 HydrophobicContact CB-CE2 4.09Å; P735-Y739 PolarHBondContact O-N 2.81Å; N736-Y739 WeakPolarHBondContact O-CB 3.11Å; N736-Y739 PolarHBondContact O-N 3.39Å; N736-Y739 VanDerWaalsContact O-N 3.14Å; Y739-I741 PolarHBondContact O-N 3.31Å; Y739-S742 WeakPolarHBondContact O-CB 3.27Å; Y739-S742 PolarHBondContact O-N 3.38Å; Y739-S742 PolarHBondContact O-OG 3.03Å; Y739-Y743 PolarHBondContact O-N 3.05Å
740	V	92.5	Very high	91.8	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-58.7	-45.5	177.2	169.2	0	0	0	0	112.1	Y85 V89 N736 S742 Y743 Y744	Y85-V740 HydrophobicContact CE1-CG1 4.23Å; V89-V740 HydrophobicContact CG1-CG1 3.91Å; V89-V740 HydrophobicContact CG2-CG1 3.83Å; V89-V740 HydrophobicContact CG2-CG2 4.2Å; N736-V740 WeakPolarHBondContact O-CB 3.47Å; N736-V740 WeakPolarHBondContact O-CG2 3.46Å; N736-V740 PolarHBondContact O-N 3.29Å; V740-S742 VanDerWaalsContact C-N 3.29Å; V740-S742 PolarHBondContact O-N 2.91Å; V740-Y743 WeakPolarHBondContact O-CB 3.24Å; V740-Y743 PolarHBondContact O-N 2.91Å; V740-Y744 HydrophobicContact CG1-CD2 3.93Å; V740-Y744 HydrophobicContact CG1-CE2 3.65Å; V740-Y744 VanDerWaalsContact O-CD2 3.26Å; V740-Y744 WeakPolarHBondContact O-CD2 3.46Å; V740-Y744 PolarHBondContact O-N 3Å; V740-Y744 VanDerWaalsContact O-N 3.13Å
741	I	93.7	Very high	92	Very high	106 Å²	106	47 Å²	47	54%	0.544	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-41.3	174.6	-74	166.4	0	0	0	110.9	T737 V738 Y739 Y743 Y744 M745	T737-I741 HydrophobicContact CG2-CD1 4.08Å; T737-I741 WeakPolarHBondContact O-CB 3.25Å; T737-I741 WeakPolarHBondContact O-CD1 3.47Å; T737-I741 WeakPolarHBondContact O-CG1 3.41Å; T737-I741 PolarHBondContact O-N 3.3Å; V738-I741 PolarHBondContact O-N 3.44Å; Y739-I741 PolarHBondContact O-N 3.31Å; I741-Y743 VanDerWaalsContact C-N 3.33Å; I741-Y743 PolarHBondContact O-N 2.97Å; I741-Y744 PolarHBondContact O-N 2.96Å; I741-M745 WeakPolarHBondContact O-CB 3.26Å; I741-M745 PolarHBondContact O-N 3.33Å
742	S	94.7	Very high	92.2	Very high	3 Å²	3	45 Å²	45	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-67.1	-32.8	178.2	79.3	0	0	0	0	113.2	V738 Y739 V740 M745 C746	V738-S742 WeakPolarHBondContact O-CB 3.4Å; V738-S742 PolarHBondContact O-N 3.32Å; Y739-S742 WeakPolarHBondContact O-CB 3.27Å; Y739-S742 PolarHBondContact O-N 3.38Å; Y739-S742 PolarHBondContact O-OG 3.03Å; V740-S742 VanDerWaalsContact C-N 3.29Å; V740-S742 PolarHBondContact O-N 2.91Å; S742-M745 WeakPolarHBondContact O-CA 3.38Å; S742-M745 VanDerWaalsContact O-CB 3.25Å; S742-M745 WeakPolarHBondContact O-CB 3.39Å; S742-M745 PolarHBondContact O-N 3.27Å; S742-M745 VanDerWaalsContact O-N 3.15Å; S742-C746 PolarHBondContact O-N 3.31Å
743	Y	94.5	Very high	92.1	Very high	21 Å²	21	35.6 Å²	35.6	8%	0.082	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-49.9	174.9	-154.5	-82.9	0	0	0	111.4	Y85 D109 F720 Y739 V740 I741 M745 C746 Y747	Y85-Y743 AromaticContact CD1-CD1 3.75Å; Y85-Y743 HydrophobicContact CD1-CD1 3.75Å; Y85-Y743 HydrophobicContact CD1-CE1 4.3Å; Y85-Y743 HydrophobicContact CD1-CG 4.48Å; Y85-Y743 AromaticContact CD2-CD1 3.67Å; Y85-Y743 HydrophobicContact CD2-CD1 3.67Å; Y85-Y743 AromaticContact CD2-CE1 3.51Å; Y85-Y743 HydrophobicContact CD2-CE1 3.51Å; Y85-Y743 HydrophobicContact CD2-CG 4.35Å; Y85-Y743 AromaticContact CE1-CD1 3.57Å; Y85-Y743 HydrophobicContact CE1-CD1 3.57Å; Y85-Y743 HydrophobicContact CE1-CE1 4.41Å; Y85-Y743 AromaticContact CE1-CG 3.84Å; Y85-Y743 HydrophobicContact CE1-CG 3.84Å; Y85-Y743 AromaticContact CE2-CD1 3.5Å; Y85-Y743 HydrophobicContact CE2-CD1 3.5Å; Y85-Y743 VanDerWaalsContact CE2-CD1 3.5Å; Y85-Y743 HydrophobicContact CE2-CD2 4.06Å; Y85-Y743 AromaticContact CE2-CE1 3.65Å; Y85-Y743 HydrophobicContact CE2-CE1 3.65Å; Y85-Y743 HydrophobicContact CE2-CE2 4.22Å; Y85-Y743 AromaticContact CE2-CG 3.71Å; Y85-Y743 HydrophobicContact CE2-CG 3.71Å; Y85-Y743 AromaticContact CG-CD1 3.82Å; Y85-Y743 HydrophobicContact CG-CD1 3.82Å; Y85-Y743 AromaticContact CG-CE1 3.89Å; Y85-Y743 HydrophobicContact CG-CE1 3.89Å; Y85-Y743 AromaticContact CZ-CD1 3.46Å; Y85-Y743 VanDerWaalsContact CZ-CD1 3.46Å; Y85-Y743 AromaticContact CZ-CG 3.43Å; Y85-Y743 VanDerWaalsContact CZ-CG 3.43Å; Y85-Y743 WeakPolarHBondContact OH-CB 3.49Å; D109-Y743 PolarHBondContact OD2-OH 3.44Å; F720-Y743 HydrophobicContact CD2-CD2 4.09Å; F720-Y743 AromaticContact CE2-CD2 3.5Å; F720-Y743 HydrophobicContact CE2-CD2 3.5Å; F720-Y743 VanDerWaalsContact CE2-CD2 3.5Å; F720-Y743 HydrophobicContact CE2-CE2 4.01Å; F720-Y743 HydrophobicContact CE2-CG 4.49Å; F720-Y743 AromaticContact CZ-CD2 3.92Å; F720-Y743 HydrophobicContact CZ-CD2 3.92Å; F720-Y743 AromaticContact CZ-CE2 3.96Å; F720-Y743 HydrophobicContact CZ-CE2 3.96Å; Y739-Y743 PolarHBondContact O-N 3.05Å; V740-Y743 WeakPolarHBondContact O-CB 3.24Å; V740-Y743 PolarHBondContact O-N 2.91Å; I741-Y743 VanDerWaalsContact C-N 3.33Å; I741-Y743 PolarHBondContact O-N 2.97Å; Y743-M745 PolarHBondContact O-N 3.34Å; Y743-C746 WeakPolarHBondContact O-CB 3.35Å; Y743-C746 PolarHBondContact O-N 3.28Å; Y743-C746 VanDerWaalsContact O-N 3.15Å; Y743-Y747 HydrophobicContact CD1-CE2 4.19Å; Y743-Y747 HydrophobicContact CE1-CE1 4.25Å; Y743-Y747 HydrophobicContact CE1-CE2 4.14Å; Y743-Y747 AromaticContact CE1-CZ 3.7Å; Y743-Y747 WeakPolarHBondContact CE1-OH 3.19Å; Y743-Y747 PolarHBondContact O-N 3.24Å
744	Y	95.4	Very high	91.8	Very high	30 Å²	30	32.8 Å²	32.8	12%	0.118	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-28.5	171.1	-73.8	-66	0	0	0	112.5	I35 Y82 Y85 S86 V89 V740 I741 Y747 M748	I35-Y744 HydrophobicContact CD1-CE1 3.8Å; I35-Y744 HydrophobicContact CD1-CE2 4.19Å; I35-Y744 WeakPolarHBondContact CD1-OH 3.42Å; I35-Y744 HydrophobicContact CG1-CE1 4.02Å; I35-Y744 HydrophobicContact CG2-CE1 4.04Å; Y82-Y744 HydrophobicContact CD1-CD1 4.32Å; Y85-Y744 HydrophobicContact CD1-CD1 4.25Å; Y85-Y744 HydrophobicContact CD1-CD2 4.38Å; Y85-Y744 AromaticContact CD1-CE1 3.72Å; Y85-Y744 HydrophobicContact CD1-CE1 3.72Å; Y85-Y744 AromaticContact CD1-CE2 3.86Å; Y85-Y744 HydrophobicContact CD1-CE2 3.86Å; Y85-Y744 AromaticContact CD1-CZ 3.49Å; Y85-Y744 VanDerWaalsContact CD1-CZ 3.49Å; Y85-Y744 HydrophobicContact CE1-CD2 4.06Å; Y85-Y744 HydrophobicContact CE1-CE1 4.35Å; Y85-Y744 AromaticContact CE1-CE2 3.72Å; Y85-Y744 HydrophobicContact CE1-CE2 3.72Å; Y85-Y744 AromaticContact CE1-CZ 3.87Å; S86-Y744 VanDerWaalsContact CA-OH 3.3Å; S86-Y744 WeakPolarHBondContact CA-OH 3.24Å; S86-Y744 PolarHBondContact OG-OH 2.64Å; V89-Y744 HydrophobicContact CG2-CE2 4.46Å; V740-Y744 HydrophobicContact CG1-CD2 3.93Å; V740-Y744 HydrophobicContact CG1-CE2 3.65Å; V740-Y744 VanDerWaalsContact O-CD2 3.26Å; V740-Y744 WeakPolarHBondContact O-CD2 3.46Å; V740-Y744 PolarHBondContact O-N 3Å; V740-Y744 VanDerWaalsContact O-N 3.13Å; I741-Y744 PolarHBondContact O-N 2.96Å; Y744-Y747 HydrophobicContact CD1-CD2 4.27Å; Y744-Y747 PolarHBondContact O-N 3.21Å; Y744-M748 WeakPolarHBondContact O-CE 3.2Å; Y744-M748 WeakPolarHBondContact O-CG 3.41Å; Y744-M748 PolarHBondContact O-N 2.03Å
745	M	94.2	Very high	91.5	Very high	62 Å²	62	38.4 Å²	38.4	31%	0.305	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-35.5	177.3	-161.3	170.3	-174.8	0	0	112.2	A715 F716 P719 I741 S742 Y743 M748	A715-M745 VanDerWaalsContact O-CE 3.24Å; A715-M745 WeakPolarHBondContact O-CE 3.42Å; F716-M745 VanDerWaalsContact CB-O 3.28Å; F716-M745 WeakPolarHBondContact CB-O 3.29Å; F716-M745 HydrophobicContact CD1-CE 4.13Å; F716-M745 HydrophobicContact CD1-CG 3.86Å; F716-M745 WeakPolarHBondContact CD1-O 3.31Å; F716-M745 HydrophobicContact CE1-CE 4.49Å; F716-M745 CarbonylContact O-C 3.52Å; P719-M745 HydrophobicContact CB-SD 4.08Å; P719-M745 HydrophobicContact CG-CE 4.28Å; P719-M745 HydrophobicContact CG-SD 3.81Å; I741-M745 WeakPolarHBondContact O-CB 3.26Å; I741-M745 PolarHBondContact O-N 3.33Å; S742-M745 WeakPolarHBondContact O-CA 3.38Å; S742-M745 VanDerWaalsContact O-CB 3.25Å; S742-M745 WeakPolarHBondContact O-CB 3.39Å; S742-M745 PolarHBondContact O-N 3.27Å; S742-M745 VanDerWaalsContact O-N 3.15Å; Y743-M745 PolarHBondContact O-N 3.34Å; M745-M748 WeakPolarHBondContact O-CB 3.37Å; M745-M748 PolarHBondContact O-N 3.04Å
746	C	94.8	Very high	91.2	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-58.3	-49.7	168.6	-69.1	0	0	0	0	111.3	F716 W717 F720 S742 Y743 M748 N749	F716-C746 PolarHBondContact O-N 3.22Å; W717-C746 HydrophobicContact CD2-CB 4.13Å; W717-C746 HydrophobicContact CE3-CB 3.71Å; W717-C746 HydrophobicContact CH2-CB 4.32Å; W717-C746 HydrophobicContact CZ3-CB 3.83Å; F720-C746 WeakPolarHBondContact CB-SG 3.41Å; S742-C746 PolarHBondContact O-N 3.31Å; Y743-C746 WeakPolarHBondContact O-CB 3.35Å; Y743-C746 PolarHBondContact O-N 3.28Å; Y743-C746 VanDerWaalsContact O-N 3.15Å; C746-M748 PolarHBondContact O-N 2.92Å; C746-N749 WeakPolarHBondContact O-CB 3.38Å; C746-N749 PolarHBondContact O-N 3.19Å
747	Y	95.2	Very high	90.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-27	178.5	-62.8	-22.1	0	0	0	112.9	I77 G81 Y82 Y85 D109 Y743 Y744 N749 S750 P751	I77-Y747 HydrophobicContact CG2-CD1 3.49Å; I77-Y747 VanDerWaalsContact CG2-CD1 3.49Å; I77-Y747 HydrophobicContact CG2-CE1 3.98Å; I77-Y747 HydrophobicContact CG2-CG 3.82Å; G81-Y747 VanDerWaalsContact CA-OH 3.23Å; G81-Y747 WeakPolarHBondContact CA-OH 3.33Å; G81-Y747 VanDerWaalsContact O-CE2 3.31Å; G81-Y747 WeakPolarHBondContact O-CE2 3.22Å; G81-Y747 PolarHBondContact O-OH 2.67Å; Y82-Y747 AromaticContact CD1-CD2 3.97Å; Y82-Y747 HydrophobicContact CD1-CD2 3.97Å; Y82-Y747 HydrophobicContact CE1-CD2 4.13Å; Y82-Y747 HydrophobicContact CE1-CG 4.41Å; Y82-Y747 HydrophobicContact CG-CD2 4.33Å; Y82-Y747 VanDerWaalsContact OH-C 3.31Å; Y82-Y747 PolarHBondContact OH-O 3.01Å; Y85-Y747 HydrophobicContact CG-CE2 4.49Å; D109-Y747 VanDerWaalsContact CG-OH 3.27Å; D109-Y747 WeakPolarHBondContact OD1-CE1 3.28Å; D109-Y747 PolarHBondContact OD1-OH 3.49Å; D109-Y747 PolarHBondContact OD2-OH 2.82Å; Y743-Y747 HydrophobicContact CD1-CE2 4.19Å; Y743-Y747 HydrophobicContact CE1-CE1 4.25Å; Y743-Y747 HydrophobicContact CE1-CE2 4.14Å; Y743-Y747 AromaticContact CE1-CZ 3.7Å; Y743-Y747 WeakPolarHBondContact CE1-OH 3.19Å; Y743-Y747 PolarHBondContact O-N 3.24Å; Y744-Y747 HydrophobicContact CD1-CD2 4.27Å; Y744-Y747 PolarHBondContact O-N 3.21Å; Y747-N749 PolarHBondContact O-N 2.94Å; Y747-S750 WeakPolarHBondContact O-CB 3.43Å; Y747-S750 PolarHBondContact O-N 2.95Å; Y747-P751 WeakPolarHBondContact O-CD 3.42Å
748	M	92.2	Very high	90.4	Very high	42 Å²	42	29.2 Å²	29.2	21%	0.207	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.3	173.6	-66.6	-55.3	103	0	0	113.8	L38 Y82 F716 Y744 M745 C746 S750 P751	L38-M748 HydrophobicContact CB-CE 4.45Å; L38-M748 HydrophobicContact CD1-CE 3.77Å; L38-M748 HydrophobicContact CD1-SD 4.23Å; L38-M748 HydrophobicContact CD2-CE 4.08Å; L38-M748 HydrophobicContact CD2-SD 3.85Å; L38-M748 HydrophobicContact CG-CE 4.32Å; Y82-M748 HydrophobicContact CE1-CE 3.56Å; Y82-M748 WeakPolarHBondContact OH-CE 3.49Å; F716-M748 HydrophobicContact CD1-CB 3.58Å; F716-M748 HydrophobicContact CE1-CB 3.57Å; F716-M748 HydrophobicContact CE1-CG 4.37Å; F716-M748 HydrophobicContact CG-CB 4.2Å; F716-M748 HydrophobicContact CZ-CB 4.17Å; Y744-M748 WeakPolarHBondContact O-CE 3.2Å; Y744-M748 WeakPolarHBondContact O-CG 3.41Å; Y744-M748 PolarHBondContact O-N 2.03Å; M745-M748 WeakPolarHBondContact O-CB 3.37Å; M745-M748 PolarHBondContact O-N 3.04Å; C746-M748 PolarHBondContact O-N 2.92Å; M748-S750 VanDerWaalsContact C-N 3.25Å; M748-S750 PolarHBondContact O-N 2.59Å; M748-P751 WeakPolarHBondContact O-CD 3.31Å
749	N	90.6	Very high	89.7	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-66.9	-23.3	171.3	-170.8	73	0	0	0	113.1	F716 W717 C746 Y747 I752 N753	F716-N749 HydrophobicContact CB-CB 4Å; F716-N749 HydrophobicContact CD2-CB 4.23Å; F716-N749 HydrophobicContact CG-CB 4.41Å; W717-N749 PolarHBondContact NE1-ND2 3.31Å; C746-N749 WeakPolarHBondContact O-CB 3.38Å; C746-N749 PolarHBondContact O-N 3.19Å; Y747-N749 PolarHBondContact O-N 2.94Å; N749-I752 WeakPolarHBondContact O-CG2 3.25Å; N749-N753 PolarHBondContact O-ND2 2.87Å
750	S	93	Very high	88.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-79.6	-44.1	-177.9	-59.3	0	0	0	0	115.1	N46 D74 Y747 M748 I752	N46-S750 PolarHBondContact ND2-O 3.36Å; D74-S750 PolarHBondContact OD1-OG 2.86Å; Y747-S750 WeakPolarHBondContact O-CB 3.43Å; Y747-S750 PolarHBondContact O-N 2.95Å; M748-S750 VanDerWaalsContact C-N 3.25Å; M748-S750 PolarHBondContact O-N 2.59Å; S750-I752 VanDerWaalsContact C-N 3.34Å; S750-I752 PolarHBondContact O-N 2.69Å
751	P	91.5	Very high	87.9	Confident	13 Å²	13	35 Å²	35	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-72	-20	177.3	23.9	-32.2	0	0	0	114.5	V41 T42 Y747 M748 F755	V41-P751 HydrophobicContact CG1-CB 4.11Å; T42-P751 WeakPolarHBondContact OG1-CB 3.35Å; T42-P751 WeakPolarHBondContact OG1-CD 3.37Å; Y747-P751 WeakPolarHBondContact O-CD 3.42Å; M748-P751 WeakPolarHBondContact O-CD 3.31Å; P751-F755 VanDerWaalsContact O-CD2 3.29Å; P751-F755 WeakPolarHBondContact O-CD2 3.29Å; P751-F755 WeakPolarHBondContact O-CE2 3.3Å
752	I	87.6	Confident	87.2	Confident	54 Å²	54	31.8 Å²	31.8	28%	0.277	17%	0.171	S	C	.	.	H	α-helix	trans	-76.5	-27.3	-179	-158.4	173.4	0	0	0	112.8	A712 F716 N749 S750 F755 C756	A712-I752 HydrophobicContact CB-CD1 4.37Å; A712-I752 HydrophobicContact CB-CG2 4.26Å; F716-I752 HydrophobicContact CE2-CD1 4.04Å; F716-I752 HydrophobicContact CE2-CG2 4.28Å; N749-I752 WeakPolarHBondContact O-CG2 3.25Å; S750-I752 VanDerWaalsContact C-N 3.34Å; S750-I752 PolarHBondContact O-N 2.69Å; I752-F755 WeakPolarHBondContact O-CB 3.49Å; I752-F755 PolarHBondContact O-N 3.36Å; I752-F755 VanDerWaalsContact O-N 3.11Å; I752-C756 PolarHBondContact O-N 2.9Å; I752-C756 PolarHBondContact O-SG 3.35Å; I752-C756 VanDerWaalsContact O-SG 3.37Å
753	N	84.7	Confident	86.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-41.8	-170.3	-73.1	-30.6	0	0	0	115.1	L70 D74 N749 F755 C756 Y757	L70-N753 HydrophobicContact CD2-CB 4.47Å; L70-N753 VanDerWaalsContact CD2-ND2 3.34Å; L70-N753 WeakPolarHBondContact CD2-ND2 3.31Å; D74-N753 PolarHBondContact OD2-ND2 3.32Å; N749-N753 PolarHBondContact O-ND2 2.87Å; N753-F755 VanDerWaalsContact C-N 3.27Å; N753-F755 PolarHBondContact O-N 2.72Å; N753-C756 WeakPolarHBondContact O-CB 3Å; N753-C756 PolarHBondContact O-N 3.4Å; N753-C756 VanDerWaalsContact O-N 3.1Å; N753-Y757 HydrophobicContact CB-CE2 3.93Å; N753-Y757 WeakPolarHBondContact O-CD2 2.99Å; N753-Y757 PolarHBondContact O-N 3.39Å
754	P	85.7	Confident	86	Confident	11 Å²	11	33.3 Å²	33.3	7%	0.071	18%	0.178	C	C	.	.	H	α-helix	trans	-54.6	-40	172	-28.5	36.5	0	0	0	113.5	G45 N46 V49 Y757 A758	G45-P754 WeakPolarHBondContact O-CG 3.29Å; N46-P754 WeakPolarHBondContact OD1-CD 3.18Å; N46-P754 WeakPolarHBondContact OD1-CG 3.48Å; V49-P754 HydrophobicContact CG2-CB 4.01Å; V49-P754 HydrophobicContact CG2-CG 4.14Å; P754-Y757 PolarHBondContact O-N 2.84Å; P754-A758 WeakPolarHBondContact O-CB 3.17Å; P754-A758 PolarHBondContact O-N 2.72Å
755	F	84.4	Confident	85.6	Confident	127 Å²	127	38.3 Å²	38.3	56%	0.557	20%	0.2	S	C	*	.	H	α-helix	trans	-70	-41.6	176	-57.2	-82	0	0	0	111.6	P751 I752 N753 Y757 A758 L759	P751-F755 VanDerWaalsContact O-CD2 3.29Å; P751-F755 WeakPolarHBondContact O-CD2 3.29Å; P751-F755 WeakPolarHBondContact O-CE2 3.3Å; I752-F755 WeakPolarHBondContact O-CB 3.49Å; I752-F755 PolarHBondContact O-N 3.36Å; I752-F755 VanDerWaalsContact O-N 3.11Å; N753-F755 VanDerWaalsContact C-N 3.27Å; N753-F755 PolarHBondContact O-N 2.72Å; F755-Y757 VanDerWaalsContact C-N 3.3Å; F755-Y757 PolarHBondContact O-N 3.26Å; F755-A758 PolarHBondContact O-N 3.27Å; F755-L759 WeakPolarHBondContact O-CB 3.19Å; F755-L759 VanDerWaalsContact O-CG 3.28Å; F755-L759 WeakPolarHBondContact O-CG 3.5Å; F755-L759 PolarHBondContact O-N 3.33Å
756	C	84.5	Confident	85.3	Confident	8 Å²	8	42.4 Å²	42.4	5%	0.054	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-45.8	173	-66.3	0	0	0	0	111.5	I709 I752 N753 L759 A760	I709-C756 HydrophobicContact CG1-CB 4.25Å; I752-C756 PolarHBondContact O-N 2.9Å; I752-C756 PolarHBondContact O-SG 3.35Å; I752-C756 VanDerWaalsContact O-SG 3.37Å; N753-C756 WeakPolarHBondContact O-CB 3Å; N753-C756 PolarHBondContact O-N 3.4Å; N753-C756 VanDerWaalsContact O-N 3.1Å; C756-L759 PolarHBondContact O-N 2.92Å; C756-A760 WeakPolarHBondContact O-CB 3.35Å; C756-A760 PolarHBondContact O-N 3.22Å
757	Y	81.8	Confident	84.9	Confident	5 Å²	5	42.2 Å²	42.2	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-71.1	-40.6	-179.8	-59.8	-47.5	0	0	0	113.5	V49 I67 L70 I709 N753 P754 F755 L759 A760 N761	V49-Y757 HydrophobicContact CG1-CD2 4.38Å; V49-Y757 HydrophobicContact CG2-CD2 4.34Å; I67-Y757 HydrophobicContact CB-CE1 4.26Å; I67-Y757 HydrophobicContact CD1-CD1 3.94Å; I67-Y757 HydrophobicContact CD1-CE1 3.83Å; I67-Y757 HydrophobicContact CG1-CD1 4.21Å; I67-Y757 HydrophobicContact CG1-CE1 3.64Å; I67-Y757 HydrophobicContact CG2-CD1 4.01Å; I67-Y757 HydrophobicContact CG2-CD2 3.84Å; I67-Y757 HydrophobicContact CG2-CE1 3.85Å; I67-Y757 HydrophobicContact CG2-CE2 3.66Å; I67-Y757 HydrophobicContact CG2-CG 4.02Å; L70-Y757 WeakPolarHBondContact CD2-OH 3.29Å; I709-Y757 HydrophobicContact CD1-CE1 3.88Å; N753-Y757 HydrophobicContact CB-CE2 3.93Å; N753-Y757 WeakPolarHBondContact O-CD2 2.99Å; N753-Y757 PolarHBondContact O-N 3.39Å; P754-Y757 PolarHBondContact O-N 2.84Å; F755-Y757 VanDerWaalsContact C-N 3.3Å; F755-Y757 PolarHBondContact O-N 3.26Å; Y757-L759 VanDerWaalsContact C-N 3.29Å; Y757-L759 PolarHBondContact O-N 2.91Å; Y757-A760 PolarHBondContact O-N 3.1Å; Y757-N761 PolarHBondContact O-N 2.85Å
758	A	82.6	Confident	84.5	Confident	20 Å²	20	43.5 Å²	43.5	17%	0.165	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-30.3	175.7	0	0	0	0	0	113.2	P754 F755 K765 L768	P754-A758 WeakPolarHBondContact O-CB 3.17Å; P754-A758 PolarHBondContact O-N 2.72Å; F755-A758 PolarHBondContact O-N 3.27Å; A758-K765 WeakPolarHBondContact O-CB 3.39Å; A758-K765 WeakPolarHBondContact O-CG 3.34Å; A758-L768 HydrophobicContact CB-CD2 3.75Å
759	L	78.8	Confident	84.2	Confident	158 Å²	158	43.9 Å²	43.9	83%	0.827	23%	0.229	S	C	*	.	H	α-helix	trans	-83	-27.6	173.8	-66.6	172.8	0	0	0	112.8	F755 C756 Y757	F755-L759 WeakPolarHBondContact O-CB 3.19Å; F755-L759 VanDerWaalsContact O-CG 3.28Å; F755-L759 WeakPolarHBondContact O-CG 3.5Å; F755-L759 PolarHBondContact O-N 3.33Å; C756-L759 PolarHBondContact O-N 2.92Å; Y757-L759 VanDerWaalsContact C-N 3.29Å; Y757-L759 PolarHBondContact O-N 2.91Å
760	A	71.8	Confident	84.2	Confident	20 Å²	20	45.6 Å²	45.6	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-75.5	-55.5	-178.4	0	0	0	0	0	114.1	T705 C756 Y757	T705-A760 HydrophobicContact CG2-CB 3.46Å; T705-A760 VanDerWaalsContact CG2-CB 3.46Å; T705-A760 WeakPolarHBondContact OG1-CB 3.42Å; C756-A760 WeakPolarHBondContact O-CB 3.35Å; C756-A760 PolarHBondContact O-N 3.22Å; Y757-A760 PolarHBondContact O-N 3.1Å
761	N	74.5	Confident	83.9	Confident	44 Å²	44	45.8 Å²	45.8	24%	0.235	24%	0.236	C	C	.	.			trans	-118	124.2	-167.1	-175.4	-4.6	0	0	0	111	Y757 Q763 F764 K765	Y757-N761 PolarHBondContact O-N 2.85Å; N761-Q763 VanDerWaalsContact C-N 3.26Å; N761-Q763 PolarHBondContact O-N 3.13Å; N761-Q763 PolarHBondContact OD1-N 3.27Å; N761-F764 HydrophobicContact CB-CB 4.28Å; N761-F764 HydrophobicContact CB-CD2 3.97Å; N761-F764 PolarHBondContact O-N 3.25Å; N761-K765 WeakPolarHBondContact O-CB 3.39Å; N761-K765 PolarHBondContact O-N 2.99Å
762	A	79	Confident	83.7	Confident	40 Å²	40	51 Å²	51	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-29.1	178.6	0	0	0	0	0	113.2	K766	A762-K766 VanDerWaalsContact O-CB 3.3Å; A762-K766 WeakPolarHBondContact O-CB 3.11Å; A762-K766 PolarHBondContact O-N 2.95Å
763	Q	81.1	Confident	83.9	Confident	51 Å²	51	58.4 Å²	58.4	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-52.4	175.6	-66.5	169.7	-55.6	0	0	110.8	I59 N761 K765 K766 T767	I59-Q763 HydrophobicContact CG1-CB 4.05Å; N761-Q763 VanDerWaalsContact C-N 3.26Å; N761-Q763 PolarHBondContact O-N 3.13Å; N761-Q763 PolarHBondContact OD1-N 3.27Å; Q763-K765 VanDerWaalsContact C-N 3.32Å; Q763-K765 PolarHBondContact O-N 3Å; Q763-K766 PolarHBondContact O-N 2.89Å; Q763-T767 PolarHBondContact O-N 3.07Å
764	F	83.2	Confident	84.1	Confident	5 Å²	5	61 Å²	61	2%	0.022	31%	0.313	C	S	.	.	H	α-helix	trans	-55.8	-45.8	171.2	-86	-75.9	0	0	0	111.4	V49 I59 I67 N761 K766 T767 L768	V49-F764 HydrophobicContact CG1-CE1 4.15Å; I59-F764 HydrophobicContact CD1-CD1 4.04Å; I59-F764 HydrophobicContact CD1-CE1 4.4Å; I59-F764 HydrophobicContact CD1-CG 4.16Å; I59-F764 HydrophobicContact CG2-CD1 4.27Å; I59-F764 HydrophobicContact CG2-CD2 4.16Å; I59-F764 HydrophobicContact CG2-CE1 3.69Å; I59-F764 HydrophobicContact CG2-CE2 3.57Å; I59-F764 HydrophobicContact CG2-CG 4.49Å; I59-F764 HydrophobicContact CG2-CZ 3.31Å; I67-F764 HydrophobicContact CD1-CE2 4.15Å; I67-F764 HydrophobicContact CG2-CE1 4.45Å; I67-F764 HydrophobicContact CG2-CE2 4.29Å; I67-F764 HydrophobicContact CG2-CZ 3.78Å; N761-F764 HydrophobicContact CB-CB 4.28Å; N761-F764 HydrophobicContact CB-CD2 3.97Å; N761-F764 PolarHBondContact O-N 3.25Å; F764-K766 VanDerWaalsContact C-N 3.34Å; F764-K766 PolarHBondContact O-N 3.33Å; F764-T767 PolarHBondContact O-N 3.22Å; F764-L768 WeakPolarHBondContact O-CB 3.49Å; F764-L768 PolarHBondContact O-N 3.4Å
765	K	86.4	Confident	84.1	Confident	134 Å²	134	63.7 Å²	63.7	58%	0.583	33%	0.327	S	S	*	.	H	α-helix	trans	-58	-44.2	176.8	-164.7	-170.2	174.5	-168.2	0	112.4	A758 N761 Q763 S769	A758-K765 WeakPolarHBondContact O-CB 3.39Å; A758-K765 WeakPolarHBondContact O-CG 3.34Å; N761-K765 WeakPolarHBondContact O-CB 3.39Å; N761-K765 PolarHBondContact O-N 2.99Å; Q763-K765 VanDerWaalsContact C-N 3.32Å; Q763-K765 PolarHBondContact O-N 3Å; K765-S769 WeakPolarHBondContact O-CB 3.42Å; K765-S769 PolarHBondContact O-N 2.93Å
766	K	87.8	Confident	84.3	Confident	149 Å²	149	63 Å²	63	65%	0.648	32%	0.324	S	S	*	.	H	α-helix	trans	-65.1	-49.7	-179.9	-175.4	-178.1	178.3	-174.5	0	111	A762 Q763 F764 S769 R770	A762-K766 VanDerWaalsContact O-CB 3.3Å; A762-K766 WeakPolarHBondContact O-CB 3.11Å; A762-K766 PolarHBondContact O-N 2.95Å; Q763-K766 PolarHBondContact O-N 2.89Å; F764-K766 VanDerWaalsContact C-N 3.34Å; F764-K766 PolarHBondContact O-N 3.33Å; K766-S769 PolarHBondContact O-N 3.09Å; K766-R770 VanDerWaalsContact O-CB 3.26Å; K766-R770 WeakPolarHBondContact O-CB 3.33Å; K766-R770 PolarHBondContact O-N 3.32Å
767	T	87.1	Confident	84.4	Confident	2 Å²	2	69 Å²	69	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-71.5	-37.1	-178.7	-77.7	0	0	0	0	112.2	I55 D56 I59 Q763 F764 R770 M771	I55-T767 HydrophobicContact CG2-CG2 4.39Å; D56-T767 HydrophobicContact CB-CG2 3.96Å; D56-T767 PolarHBondContact OD2-OG1 2.8Å; I59-T767 HydrophobicContact CD1-CG2 4.4Å; Q763-T767 PolarHBondContact O-N 3.07Å; F764-T767 PolarHBondContact O-N 3.22Å; T767-R770 WeakPolarHBondContact O-CB 3.17Å; T767-R770 PolarHBondContact O-N 3.36Å; T767-R770 PolarHBondContact OG1-NH2 3.28Å; T767-R770 VanDerWaalsContact OG1-NH2 3.07Å; T767-M771 HydrophobicContact CG2-SD 3.99Å; T767-M771 WeakPolarHBondContact O-CG 3.4Å; T767-M771 PolarHBondContact O-N 2.75Å
768	L	86.2	Confident	84.6	Confident	30 Å²	30	74.2 Å²	74.2	16%	0.157	37%	0.371	C	S	.	.	H	α-helix	trans	-64.3	-44.5	171.5	-171.6	72.3	0	0	0	111.8	M48 A758 F764 R770 M771 L772	M48-L768 HydrophobicContact CB-CD1 3.78Å; M48-L768 HydrophobicContact CE-CD1 3.88Å; M48-L768 HydrophobicContact SD-CD1 4.13Å; A758-L768 HydrophobicContact CB-CD2 3.75Å; F764-L768 WeakPolarHBondContact O-CB 3.49Å; F764-L768 PolarHBondContact O-N 3.4Å; L768-R770 PolarHBondContact O-N 2.85Å; L768-M771 PolarHBondContact O-N 3.15Å; L768-L772 HydrophobicContact CG-CD1 4.22Å; L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 VanDerWaalsContact O-CG 3.31Å; L768-L772 WeakPolarHBondContact O-CG 3.41Å; L768-L772 PolarHBondContact O-N 3.04Å
769	S	86.8	Confident	84.6	Confident	50 Å²	50	76.3 Å²	76.3	35%	0.35	38%	0.381	S	S	.	.	H	α-helix	trans	-66	-21.8	176.1	-178.6	0	0	0	0	113.3	K765 K766 R773	K765-S769 WeakPolarHBondContact O-CB 3.42Å; K765-S769 PolarHBondContact O-N 2.93Å; K766-S769 PolarHBondContact O-N 3.09Å; S769-R773 VanDerWaalsContact O-CD 3.28Å; S769-R773 WeakPolarHBondContact O-CD 3.44Å; S769-R773 VanDerWaalsContact O-CG 3.27Å; S769-R773 WeakPolarHBondContact O-CG 3.43Å
770	R	89.3	Confident	84.9	Confident	37 Å²	37	72.3 Å²	72.3	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-79	-47	175.9	-177.1	166.5	62.9	112	-10.6	110.5	K766 T767 L768 L772 R773 G774 D775 H777 T779	K766-R770 VanDerWaalsContact O-CB 3.26Å; K766-R770 WeakPolarHBondContact O-CB 3.33Å; K766-R770 PolarHBondContact O-N 3.32Å; T767-R770 WeakPolarHBondContact O-CB 3.17Å; T767-R770 PolarHBondContact O-N 3.36Å; T767-R770 PolarHBondContact OG1-NH2 3.28Å; T767-R770 VanDerWaalsContact OG1-NH2 3.07Å; L768-R770 PolarHBondContact O-N 2.85Å; R770-L772 PolarHBondContact O-N 2.95Å; R770-R773 WeakPolarHBondContact O-CA 3.41Å; R770-R773 WeakPolarHBondContact O-CB 3.37Å; R770-R773 PolarHBondContact O-N 3.35Å; R770-G774 PolarHBondContact O-N 3.22Å; R770-D775 CarbonylContact C-O 3.58Å; R770-D775 WeakPolarHBondContact CD-OD2 3.43Å; R770-D775 HydrophobicContact CG-CB 3.63Å; R770-D775 VanDerWaalsContact CG-CG 3.45Å; R770-D775 WeakPolarHBondContact CG-OD2 3.31Å; R770-D775 IonicContact NH1-OD2 3.63Å; R770-D775 PolarHBondContact O-N 3.19Å; R770-D775 VanDerWaalsContact O-N 3.11Å; R770-H777 PolarHBondContact NH1-O 3.02Å; R770-T779 PolarHBondContact NH2-OG1 2.84Å; R770-T779 VanDerWaalsContact NH2-OG1 3.15Å
771	M	87.7	Confident	85.6	Confident	4 Å²	4	75 Å²	75	2%	0.02	37%	0.369	C	S	.	.	H	α-helix	trans	-60.9	-40.8	172	-68.7	164.8	53.3	0	0	112.6	M48 I51 S52 I55 T767 L768 R773 G774 D775 F776	M48-M771 HydrophobicContact CB-CE 4.14Å; M48-M771 HydrophobicContact CE-CB 3.83Å; M48-M771 HydrophobicContact CE-CE 4Å; M48-M771 HydrophobicContact CG-CE 4.32Å; M48-M771 WeakPolarHBondContact O-CE 3.47Å; I51-M771 HydrophobicContact CB-CE 3.81Å; I51-M771 HydrophobicContact CG2-CE 3.49Å; I51-M771 VanDerWaalsContact CG2-CE 3.49Å; I51-M771 HydrophobicContact CG2-SD 4.23Å; S52-M771 PolarHBondContact OG-SD 2.81Å; S52-M771 VanDerWaalsContact OG-SD 3.37Å; I55-M771 HydrophobicContact CD1-CG 4.14Å; I55-M771 HydrophobicContact CD1-SD 4.04Å; T767-M771 HydrophobicContact CG2-SD 3.99Å; T767-M771 WeakPolarHBondContact O-CG 3.4Å; T767-M771 PolarHBondContact O-N 2.75Å; L768-M771 PolarHBondContact O-N 3.15Å; M771-R773 PolarHBondContact O-N 2.89Å; M771-R773 VanDerWaalsContact O-N 3.15Å; M771-G774 PolarHBondContact O-N 3.41Å; M771-D775 WeakPolarHBondContact CA-O 3.35Å; M771-D775 PolarHBondContact N-O 3.35Å; M771-F776 HydrophobicContact CB-CD1 4.2Å; M771-F776 HydrophobicContact CB-CE1 3.81Å; M771-F776 HydrophobicContact CB-CZ 4.35Å; M771-F776 HydrophobicContact CE-CD1 4.46Å; M771-F776 HydrophobicContact CE-CE1 4.13Å; M771-F776 HydrophobicContact CG-CD1 3.8Å; M771-F776 HydrophobicContact CG-CE1 3.9Å
772	L	87.7	Confident	86.2	Confident	122 Å²	122	76.7 Å²	76.7	64%	0.639	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.4	173.3	-72.6	170.9	0	0	0	114	M48 L768 R770	M48-L772 HydrophobicContact CE-CD2 3.81Å; M48-L772 HydrophobicContact CE-CG 3.94Å; M48-L772 HydrophobicContact SD-CD2 4.14Å; L768-L772 HydrophobicContact CG-CD1 4.22Å; L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 VanDerWaalsContact O-CG 3.31Å; L768-L772 WeakPolarHBondContact O-CG 3.41Å; L768-L772 PolarHBondContact O-N 3.04Å; R770-L772 PolarHBondContact O-N 2.95Å
773	R	90.4	Very high	86.7	Confident	210 Å²	210	78.9 Å²	78.9	79%	0.792	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	5.9	172	-68.8	167.6	-179	-92.2	0.1	112.7	S769 R770 M771	S769-R773 VanDerWaalsContact O-CD 3.28Å; S769-R773 WeakPolarHBondContact O-CD 3.44Å; S769-R773 VanDerWaalsContact O-CG 3.27Å; S769-R773 WeakPolarHBondContact O-CG 3.43Å; R770-R773 WeakPolarHBondContact O-CA 3.41Å; R770-R773 WeakPolarHBondContact O-CB 3.37Å; R770-R773 PolarHBondContact O-N 3.35Å; M771-R773 PolarHBondContact O-N 2.89Å; M771-R773 VanDerWaalsContact O-N 3.15Å
774	G	88.6	Confident	87	Confident	53 Å²	53	80.6 Å²	80.6	55%	0.546	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	1.9	-177.6	0	0	0	0	0	115.2	R770 M771 F776	R770-G774 PolarHBondContact O-N 3.22Å; M771-G774 PolarHBondContact O-N 3.41Å; G774-F776 VanDerWaalsContact O-CD2 3.32Å; G774-F776 WeakPolarHBondContact O-CD2 3.47Å; G774-F776 PolarHBondContact O-N 3.08Å
775	D	87	Confident	87.3	Confident	68 Å²	68	85.7 Å²	85.7	36%	0.364	41%	0.413	S	S	.	.			trans	-88.6	108.6	175	173.8	12.7	0	0	0	110.4	R770 M771 H777	R770-D775 CarbonylContact C-O 3.58Å; R770-D775 WeakPolarHBondContact CD-OD2 3.43Å; R770-D775 HydrophobicContact CG-CB 3.63Å; R770-D775 VanDerWaalsContact CG-CG 3.45Å; R770-D775 WeakPolarHBondContact CG-OD2 3.31Å; R770-D775 IonicContact NH1-OD2 3.63Å; R770-D775 PolarHBondContact O-N 3.19Å; R770-D775 VanDerWaalsContact O-N 3.11Å; M771-D775 WeakPolarHBondContact CA-O 3.35Å; M771-D775 PolarHBondContact N-O 3.35Å; D775-H777 WeakPolarHBondContact OD1-CB 3.35Å; D775-H777 PolarHBondContact OD1-N 2.9Å
776	F	88	Confident	87.3	Confident	113 Å²	113	82.2 Å²	82.2	50%	0.496	40%	0.401	S	S	.	.			trans	-108.4	17.6	175.8	-61.8	-88.6	0	0	0	112.7	I55 M771 G774 R778	I55-F776 HydrophobicContact CD1-CB 3.93Å; I55-F776 HydrophobicContact CD1-CD1 3.83Å; I55-F776 HydrophobicContact CD1-CG 4.38Å; M771-F776 HydrophobicContact CB-CD1 4.2Å; M771-F776 HydrophobicContact CB-CE1 3.81Å; M771-F776 HydrophobicContact CB-CZ 4.35Å; M771-F776 HydrophobicContact CE-CD1 4.46Å; M771-F776 HydrophobicContact CE-CE1 4.13Å; M771-F776 HydrophobicContact CG-CD1 3.8Å; M771-F776 HydrophobicContact CG-CE1 3.9Å; G774-F776 VanDerWaalsContact O-CD2 3.32Å; G774-F776 WeakPolarHBondContact O-CD2 3.47Å; G774-F776 PolarHBondContact O-N 3.08Å; F776-R778 PolarHBondContact O-N 3.39Å
777	H	85.9	Confident	87.3	Confident	133 Å²	133	77.1 Å²	77.1	62%	0.616	38%	0.382	S	S	*	.			trans	-61.9	123.1	-177	-174.6	-73.4	0	0	0	111.7	I55 R770 D775	I55-H777 WeakPolarHBondContact CG2-O 3.37Å; R770-H777 PolarHBondContact NH1-O 3.02Å; D775-H777 WeakPolarHBondContact OD1-CB 3.35Å; D775-H777 PolarHBondContact OD1-N 2.9Å
778	R	87.6	Confident	87.3	Confident	116 Å²	116	83.3 Å²	83.3	44%	0.438	41%	0.412	S	S	.	.			trans	-67.4	132.4	-179.1	-167.3	174.5	-178.4	-170.9	-4.7	111.6	Y54 I55 F776	Y54-R778 PolarHBondContact OH-NH1 3.3Å; I55-R778 WeakPolarHBondContact O-CG 3.24Å; F776-R778 PolarHBondContact O-N 3.39Å
779	T	82.4	Confident	87.4	Confident	64 Å²	64	88.2 Å²	88.2	39%	0.393	44%	0.436	S	S	.	.			trans	-125.3	0	-176.3	49	0	0	0	0	110.2	I55 D56 K57 R770	I55-T779 PolarHBondContact O-N 2.97Å; I55-T779 PolarHBondContact O-OG1 3.05Å; D56-T779 WeakPolarHBondContact CA-O 3.42Å; K57-T779 WeakPolarHBondContact CB-O 3.42Å; K57-T779 VanDerWaalsContact CD-OXT 3.3Å; K57-T779 WeakPolarHBondContact CD-OXT 3.35Å; K57-T779 WeakPolarHBondContact CE-OXT 3.26Å; K57-T779 WeakPolarHBondContact CG-O 3.36Å; K57-T779 PolarHBondContact N-O 3.3Å; K57-T779 PolarHBondContact NZ-OXT 2.73Å; R770-T779 PolarHBondContact NH2-OG1 2.84Å; R770-T779 VanDerWaalsContact NH2-OG1 3.15Å

Retrieved 779 of 779 residues in 1036.1 ms (Link to these results)

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