A0A3Q0KNS9_SCHMA Loading...

Putative zinc/iron transporter AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 649 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	60.3	Low	138 Å²	138	109.1 Å²	109.1	68%	0.68	54%	0.54	S	S	*	.				0	-77.3	0	-168	173.5	-95.7	0	0	112.6	L3 W4 I5 I69 L73	M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-W4 WeakPolarHBondContact O-CA 3.37Å; M1-W4 WeakPolarHBondContact O-CB 3.23Å; M1-W4 PolarHBondContact O-N 2.97Å; M1-I5 HydrophobicContact CG-CD1 3.66Å; M1-I5 HydrophobicContact CG-CG1 4.25Å; M1-I5 PolarHBondContact O-N 3.47Å; M1-I5 HydrophobicContact SD-CD1 4.4Å; M1-I69 HydrophobicContact CE-CG2 4.23Å; M1-L73 HydrophobicContact CE-CD1 4.11Å
2	V	52	Low	60.3	Low	103 Å²	103	104.4 Å²	104.4	62%	0.624	52%	0.518	S	S	*	.	H	α-helix	trans	-51.5	-43.5	-171	-179.4	0	0	0	0	114.8	W4 I5 K6	V2-W4 VanDerWaalsContact C-N 3.29Å; V2-W4 PolarHBondContact O-N 3.19Å; V2-I5 PolarHBondContact O-N 3.08Å; V2-K6 WeakPolarHBondContact O-CB 3.06Å; V2-K6 WeakPolarHBondContact O-CG 3.18Å; V2-K6 PolarHBondContact O-N 3.38Å
3	L	59.2	Low	60.5	Low	144 Å²	144	101.2 Å²	101.2	75%	0.754	51%	0.512	S	S	*	.	H	α-helix	trans	-62.5	-31.6	175.5	-95.1	149.2	0	0	0	113.9	M1 K7	M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-K7 PolarHBondContact O-N 2.73Å
4	W	49.3	Very low	60.6	Low	79 Å²	79	99.5 Å²	99.5	30%	0.299	51%	0.509	S	S	.	.	H	α-helix	trans	-80.5	-38.7	176.8	-160.6	86.1	0	0	0	111.3	M1 V2 K6 K7 L8 F65 I69	M1-W4 WeakPolarHBondContact O-CA 3.37Å; M1-W4 WeakPolarHBondContact O-CB 3.23Å; M1-W4 PolarHBondContact O-N 2.97Å; V2-W4 VanDerWaalsContact C-N 3.29Å; V2-W4 PolarHBondContact O-N 3.19Å; W4-K6 VanDerWaalsContact C-N 3.32Å; W4-K6 PolarHBondContact O-N 2.92Å; W4-K7 PolarHBondContact O-N 2.94Å; W4-L8 HydrophobicContact CE3-CB 4.49Å; W4-L8 HydrophobicContact CH2-CD2 4.33Å; W4-L8 HydrophobicContact CZ3-CB 4.45Å; W4-L8 HydrophobicContact CZ3-CD2 3.84Å; W4-L8 WeakPolarHBondContact O-CB 3.22Å; W4-L8 PolarHBondContact O-N 3.01Å; W4-F65 HydrophobicContact CH2-CB 4.03Å; W4-F65 HydrophobicContact CZ2-CB 3.63Å; W4-F65 HydrophobicContact CZ2-CG 4.47Å; W4-I69 HydrophobicContact CD2-CD1 4.29Å; W4-I69 HydrophobicContact CE3-CD1 3.78Å; W4-I69 HydrophobicContact CH2-CD1 4.49Å; W4-I69 HydrophobicContact CZ3-CD1 3.89Å
5	I	64.5	Low	60.3	Low	90 Å²	90	96.1 Å²	96.1	46%	0.462	49%	0.494	S	S	.	.	H	α-helix	trans	-58.6	-45.5	168.7	-64.2	174.8	0	0	0	109.9	M1 V2 K7 L8 L9	M1-I5 HydrophobicContact CG-CD1 3.66Å; M1-I5 HydrophobicContact CG-CG1 4.25Å; M1-I5 PolarHBondContact O-N 3.47Å; M1-I5 HydrophobicContact SD-CD1 4.4Å; V2-I5 PolarHBondContact O-N 3.08Å; I5-K7 PolarHBondContact O-N 2.91Å; I5-L8 PolarHBondContact O-N 3.45Å; I5-L9 WeakPolarHBondContact O-CB 3.12Å; I5-L9 PolarHBondContact O-N 3.13Å
6	K	67.4	Low	60	Low	142 Å²	142	97.3 Å²	97.3	62%	0.617	50%	0.495	S	S	*	.	H	α-helix	trans	-60	-43.1	174.4	-77.3	-171.3	174.8	-169.1	0	112.2	V2 W4 L10	V2-K6 WeakPolarHBondContact O-CB 3.06Å; V2-K6 WeakPolarHBondContact O-CG 3.18Å; V2-K6 PolarHBondContact O-N 3.38Å; W4-K6 VanDerWaalsContact C-N 3.32Å; W4-K6 PolarHBondContact O-N 2.92Å; K6-L10 WeakPolarHBondContact O-CB 3.36Å; K6-L10 PolarHBondContact O-N 3.23Å
7	K	68.2	Low	59.6	Low	143 Å²	143	101.5 Å²	101.5	62%	0.622	51%	0.512	S	S	*	.	H	α-helix	trans	-66.1	-43.3	175.8	-80.9	-167.3	173.2	-168	0	112.9	L3 W4 I5 L10 I11	L3-K7 PolarHBondContact O-N 2.73Å; W4-K7 PolarHBondContact O-N 2.94Å; I5-K7 PolarHBondContact O-N 2.91Å; K7-L10 PolarHBondContact O-N 3.08Å; K7-I11 VanDerWaalsContact O-CG1 3.27Å; K7-I11 WeakPolarHBondContact O-CG1 3.41Å; K7-I11 PolarHBondContact O-N 3.19Å
8	L	62.5	Low	58.7	Low	38 Å²	38	102.9 Å²	102.9	20%	0.199	52%	0.521	C	S	.	.	H	α-helix	trans	-64.5	-45.3	176.9	-177.6	66.4	0	0	0	111	W4 I5 L10 I11 L12	W4-L8 HydrophobicContact CE3-CB 4.49Å; W4-L8 HydrophobicContact CH2-CD2 4.33Å; W4-L8 HydrophobicContact CZ3-CB 4.45Å; W4-L8 HydrophobicContact CZ3-CD2 3.84Å; W4-L8 WeakPolarHBondContact O-CB 3.22Å; W4-L8 PolarHBondContact O-N 3.01Å; I5-L8 PolarHBondContact O-N 3.45Å; L8-L10 VanDerWaalsContact C-N 3.28Å; L8-L10 PolarHBondContact O-N 2.98Å; L8-I11 PolarHBondContact O-N 2.92Å; L8-L12 HydrophobicContact CG-CD1 4.07Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.49Å
9	L	68.2	Low	58	Low	110 Å²	110	102.5 Å²	102.5	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-63.6	-33.9	175.7	-160.3	93.2	0	0	0	111.6	I5 S13	I5-L9 WeakPolarHBondContact O-CB 3.12Å; I5-L9 PolarHBondContact O-N 3.13Å; L9-S13 WeakPolarHBondContact O-CB 3.44Å; L9-S13 PolarHBondContact O-N 3.04Å; L9-S13 PolarHBondContact O-OG 3.15Å
10	L	70	Confident	57.1	Low	113 Å²	113	103.5 Å²	103.5	59%	0.592	54%	0.538	S	S	*	.	H	α-helix	trans	-73.3	-40.9	175.9	-163.1	161.6	0	0	0	111.3	K6 K7 L8 S13 V14	K6-L10 WeakPolarHBondContact O-CB 3.36Å; K6-L10 PolarHBondContact O-N 3.23Å; K7-L10 PolarHBondContact O-N 3.08Å; L8-L10 VanDerWaalsContact C-N 3.28Å; L8-L10 PolarHBondContact O-N 2.98Å; L10-S13 PolarHBondContact O-N 3.18Å; L10-V14 HydrophobicContact CD2-CG2 3.97Å; L10-V14 WeakPolarHBondContact O-CB 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.43Å; L10-V14 PolarHBondContact O-N 3.23Å
11	I	63.6	Low	56	Low	100 Å²	100	106.2 Å²	106.2	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-58.4	-52.5	171	-70.6	162.3	0	0	0	109.9	K7 L8 S13 V14 T15	K7-I11 VanDerWaalsContact O-CG1 3.27Å; K7-I11 WeakPolarHBondContact O-CG1 3.41Å; K7-I11 PolarHBondContact O-N 3.19Å; L8-I11 PolarHBondContact O-N 2.92Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.85Å; I11-V14 PolarHBondContact O-N 2.65Å; I11-T15 PolarHBondContact O-N 3.26Å; I11-T15 PolarHBondContact O-OG1 2.94Å; I11-T15 VanDerWaalsContact O-OG1 3.11Å
12	L	60.5	Low	56	Low	53 Å²	53	106.4 Å²	106.4	28%	0.277	56%	0.561	S	S	.	*	H	α-helix	trans	-57.1	-46.3	175.8	-72.4	167.1	0	0	0	111.4	L8 V14 T15 F16	L8-L12 HydrophobicContact CG-CD1 4.07Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.49Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.4Å; L12-T15 WeakPolarHBondContact CA-OG1 3.39Å; L12-T15 PolarHBondContact O-N 3.27Å; L12-T15 PolarHBondContact O-OG1 2.95Å; L12-F16 HydrophobicContact CD2-CE2 4.26Å; L12-F16 WeakPolarHBondContact O-CB 3.34Å; L12-F16 VanDerWaalsContact O-CD2 3.28Å; L12-F16 WeakPolarHBondContact O-CD2 3.32Å; L12-F16 PolarHBondContact O-N 3.01Å
13	S	61.8	Low	55.2	Low	63 Å²	63	112.2 Å²	112.2	44%	0.441	57%	0.573	S	S	.	*	H	α-helix	trans	-60.2	-44	178.2	-61.2	0	0	0	0	111.3	L9 L10 I11 F16 H17	L9-S13 WeakPolarHBondContact O-CB 3.44Å; L9-S13 PolarHBondContact O-N 3.04Å; L9-S13 PolarHBondContact O-OG 3.15Å; L10-S13 PolarHBondContact O-N 3.18Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.85Å; S13-F16 PolarHBondContact O-N 2.95Å; S13-H17 WeakPolarHBondContact O-CB 3.44Å; S13-H17 PolarHBondContact O-N 3.05Å
14	V	61.9	Low	53.8	Low	77 Å²	77	109.2 Å²	109.2	47%	0.467	58%	0.577	S	S	.	*	H	α-helix	trans	-63.5	-48.6	176.3	168.6	0	0	0	0	110.8	L10 I11 L12 F16 H17 D18	L10-V14 HydrophobicContact CD2-CG2 3.97Å; L10-V14 WeakPolarHBondContact O-CB 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.43Å; L10-V14 PolarHBondContact O-N 3.23Å; I11-V14 PolarHBondContact O-N 2.65Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.4Å; V14-F16 PolarHBondContact O-N 3.38Å; V14-H17 PolarHBondContact O-N 2.93Å; V14-D18 PolarHBondContact O-N 2.99Å
15	T	57	Low	53.2	Low	48 Å²	48	109.7 Å²	109.7	29%	0.294	60%	0.598	S	S	.	*	H	α-helix	trans	-64.6	-25.7	179.9	51.9	0	0	0	0	114	I11 L12 L512	I11-T15 PolarHBondContact O-N 3.26Å; I11-T15 PolarHBondContact O-OG1 2.94Å; I11-T15 VanDerWaalsContact O-OG1 3.11Å; L12-T15 WeakPolarHBondContact CA-OG1 3.39Å; L12-T15 PolarHBondContact O-N 3.27Å; L12-T15 PolarHBondContact O-OG1 2.95Å; T15-L512 HydrophobicContact CG2-CD1 4.12Å; T15-L512 HydrophobicContact CG2-CD2 4.43Å
16	F	55.4	Low	52.1	Low	116 Å²	116	114 Å²	114	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-93.6	-27.2	176.1	-81.2	-73.2	0	0	0	113.8	L12 S13 V14 T19 T516	L12-F16 HydrophobicContact CD2-CE2 4.26Å; L12-F16 WeakPolarHBondContact O-CB 3.34Å; L12-F16 VanDerWaalsContact O-CD2 3.28Å; L12-F16 WeakPolarHBondContact O-CD2 3.32Å; L12-F16 PolarHBondContact O-N 3.01Å; S13-F16 PolarHBondContact O-N 2.95Å; V14-F16 PolarHBondContact O-N 3.38Å; F16-T19 PolarHBondContact O-OG1 3.49Å; F16-T516 HydrophobicContact CE2-CG2 4.47Å; F16-T516 HydrophobicContact CZ-CG2 4.27Å
17	H	52.3	Low	50.6	Low	169 Å²	169	111.3 Å²	111.3	78%	0.782	62%	0.615	S	S	*	*	H	α-helix	trans	-77.3	-26.8	-177.3	-154.4	52.9	0	0	0	113	S13 V14 T19	S13-H17 WeakPolarHBondContact O-CB 3.44Å; S13-H17 PolarHBondContact O-N 3.05Å; V14-H17 PolarHBondContact O-N 2.93Å; H17-T19 PolarHBondContact O-N 3.1Å
18	D	45	Very low	49.1	Very low	127 Å²	127	116.1 Å²	116.1	68%	0.679	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	23.7	173.9	-68.8	-27.8	0	0	0	113.5	V14 P20	V14-D18 PolarHBondContact O-N 2.99Å; D18-P20 WeakPolarHBondContact O-CD 3.22Å
19	T	44.9	Very low	48	Very low	94 Å²	94	119.8 Å²	119.8	58%	0.577	65%	0.653	S	S	*	*			trans	-109.6	77.9	173.8	59.2	0	0	0	0	112.5	F16 H17 L21	F16-T19 PolarHBondContact O-OG1 3.49Å; H17-T19 PolarHBondContact O-N 3.1Å; T19-L21 PolarHBondContact O-N 3.08Å
20	P	40	Very low	46.9	Very low	123 Å²	123	120 Å²	120	80%	0.799	66%	0.661	S	S	*	*			trans	-69.5	101.7	170.9	29.5	-33.3	0	0	0	110.4	D18	D18-P20 WeakPolarHBondContact O-CD 3.22Å
21	L	33.9	Very low	45.5	Very low	161 Å²	161	120.8 Å²	120.8	84%	0.843	67%	0.671	S	S	*	*			trans	-55.9	165.1	151.3	-77.6	165.4	0	0	0	110.5	T19	T19-L21 PolarHBondContact O-N 3.08Å
22	V	37.9	Very low	44.3	Very low	141 Å²	141	124.8 Å²	124.8	86%	0.855	69%	0.687	S	S	*	*			trans	101.8	122.2	173.1	-175.1	0	0	0	0	115.5
23	Y	35.7	Very low	43.7	Very low	226 Å²	226	127.6 Å²	127.6	89%	0.886	71%	0.708	S	S	*	*			trans	-67.6	146.7	176.1	-83.6	-137.8	0	0	0	113.3
24	G	30.5	Very low	42.5	Very low	80 Å²	80	132.1 Å²	132.1	83%	0.825	73%	0.727	S	S	*	*				86.4	98.3	126.6	0	0	0	0	0	119
25	A	37	Very low	41.2	Very low	89 Å²	89	132.9 Å²	132.9	74%	0.736	74%	0.736	S	S	*	*			trans	-149	129.6	151.4	0	0	0	0	0	112.4
26	H	39.6	Very low	40.2	Very low	180 Å²	180	137.9 Å²	137.9	83%	0.833	76%	0.759	S	S	*	*			trans	8.8	149.1	138.8	-57.7	-82.4	0	0	0	121.2
27	S	36.5	Very low	39.4	Very low	86 Å²	86	136.9 Å²	136.9	60%	0.601	77%	0.766	S	S	*	*			cis	175.4	121.9	-25.2	45.9	0	0	0	0	110.5
28	W	36.7	Very low	38.5	Very low	244 Å²	244	136.4 Å²	136.4	92%	0.924	77%	0.769	S	S	*	*			trans	63	154.2	158.8	-64.4	58.5	0	0	0	117.5
29	T	40.4	Very low	38.1	Very low	115 Å²	115	135.4 Å²	135.4	71%	0.706	77%	0.772	S	S	*	*			cis	-158.8	165.9	-22.7	20.9	0	0	0	0	108.9
30	P	43.7	Very low	37.8	Very low	116 Å²	116	136.6 Å²	136.6	75%	0.753	79%	0.785	S	S	*	*			trans	-109.1	166.9	-164.6	40.8	-35.8	0	0	0	116.9
31	T	40.7	Very low	37.8	Very low	128 Å²	128	135.9 Å²	135.9	79%	0.785	78%	0.782	S	S	*	*			trans	-148.9	123.7	164	50	0	0	0	0	115.8
32	H	39.8	Very low	38.5	Very low	185 Å²	185	135 Å²	135	86%	0.856	78%	0.777	S	S	*	*			trans	62.2	135.9	147.4	-75.1	-84.4	0	0	0	124.2
33	P	46.3	Very low	38.8	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	77%	0.766	S	S	*	*			trans	-108.9	164.3	170.1	40.9	-33.5	0	0	0	114.2
34	L	36.4	Very low	39.8	Very low	159 Å²	159	130 Å²	130	83%	0.832	76%	0.756	S	S	*	*			trans	-173.6	119.2	141.5	-108.1	167.9	0	0	0	114.5
35	S	35.4	Very low	41	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	75%	0.751	S	S	*	*			trans	57.7	145.1	141.2	72.7	0	0	0	0	124.2
36	I	36.2	Very low	42.1	Very low	152 Å²	152	134.1 Å²	134.1	78%	0.779	74%	0.741	S	S	*	*			trans	102.1	121	153.9	-59.1	170.1	0	0	0	119
37	S	37.6	Very low	43.5	Very low	96 Å²	96	127.9 Å²	127.9	67%	0.671	72%	0.716	S	S	*	*			trans	76.9	124	154.7	69.9	0	0	0	0	122.4
38	N	33.4	Very low	45.4	Very low	158 Å²	158	127.2 Å²	127.2	85%	0.845	71%	0.706	S	S	*	*			trans	42.9	90.5	133.4	-57.4	-0.7	0	0	0	120.9
39	S	37.2	Very low	47.4	Very low	106 Å²	106	118 Å²	118	74%	0.741	68%	0.682	S	S	*	*				-169.9	127.3	127.8	58	0	0	0	0	112.8	S41	S39-S41 PolarHBondContact O-N 3.02Å
40	S	39.3	Very low	49.4	Very low	119 Å²	119	115.4 Å²	115.4	83%	0.832	67%	0.668	S	S	*	*			trans	6	81.6	155.8	57.1	0	0	0	0	118.2
41	S	39.2	Very low	51.5	Low	108 Å²	108	117.1 Å²	117.1	76%	0.755	66%	0.66	S	S	*	*			trans	-88.6	106.2	166	54.2	0	0	0	0	109.9	S39	S39-S41 PolarHBondContact O-N 3.02Å
42	I	48.8	Very low	53.7	Low	144 Å²	144	111.8 Å²	111.8	74%	0.738	63%	0.626	S	S	*	*			trans	-71.6	133.5	169.6	-64.8	172.2	0	0	0	108.2	H44 T47	I42-H44 PolarHBondContact O-N 3.38Å; I42-T47 HydrophobicContact CG2-CG2 4.05Å
43	D	45	Very low	55.9	Low	115 Å²	115	106.1 Å²	106.1	62%	0.615	61%	0.607	S	S	*	*			trans	-63.7	99.5	-177.1	-73.5	-69.2	0	0	0	112.3	H45 D46 T47	D43-H45 PolarHBondContact O-N 3.39Å; D43-H45 VanDerWaalsContact O-N 3.14Å; D43-D46 HydrophobicContact CB-CB 4.43Å; D43-D46 PolarHBondContact O-N 3.42Å; D43-D46 VanDerWaalsContact O-N 3.13Å; D43-T47 PolarHBondContact O-N 2.9Å
44	H	55.2	Low	57.9	Low	146 Å²	146	109.7 Å²	109.7	68%	0.676	61%	0.608	S	S	*	*	H	α-helix	trans	-56.6	-34	-175.8	-130.2	-65.8	0	0	0	112.4	I42 T47 D48	I42-H44 PolarHBondContact O-N 3.38Å; H44-T47 PolarHBondContact O-N 2.99Å; H44-T47 PolarHBondContact O-OG1 3Å; H44-D48 PolarHBondContact O-N 3.21Å
45	H	56.3	Low	60.5	Low	153 Å²	153	104.8 Å²	104.8	71%	0.708	58%	0.582	S	S	*	*	H	α-helix	trans	-62.9	-43.6	178.8	-171.7	-87.8	0	0	0	113	D43 T47 D48 A49	D43-H45 PolarHBondContact O-N 3.39Å; D43-H45 VanDerWaalsContact O-N 3.14Å; H45-T47 VanDerWaalsContact C-N 3.33Å; H45-T47 PolarHBondContact O-N 2.92Å; H45-D48 PolarHBondContact O-N 3Å; H45-A49 PolarHBondContact O-N 2.95Å
46	D	60.9	Low	63.2	Low	102 Å²	102	100.4 Å²	100.4	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-71.9	-29.2	179.5	-79.2	6.1	0	0	0	112	D43 D48 S50	D43-D46 HydrophobicContact CB-CB 4.43Å; D43-D46 PolarHBondContact O-N 3.42Å; D43-D46 VanDerWaalsContact O-N 3.13Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D46-S50 VanDerWaalsContact O-CB 3.26Å; D46-S50 WeakPolarHBondContact O-CB 3.38Å; D46-S50 PolarHBondContact O-N 2.93Å; D46-S50 PolarHBondContact O-OG 3.03Å
47	T	68.8	Low	65.7	Low	50 Å²	50	97 Å²	97	31%	0.307	54%	0.537	S	S	.	.	H	α-helix	trans	-63.8	-39.8	173.2	70	0	0	0	0	111.8	I42 D43 H44 H45 R51	I42-T47 HydrophobicContact CG2-CG2 4.05Å; D43-T47 PolarHBondContact O-N 2.9Å; H44-T47 PolarHBondContact O-N 2.99Å; H44-T47 PolarHBondContact O-OG1 3Å; H45-T47 VanDerWaalsContact C-N 3.33Å; H45-T47 PolarHBondContact O-N 2.92Å; T47-R51 WeakPolarHBondContact O-CB 3.49Å; T47-R51 WeakPolarHBondContact O-CD 3.25Å; T47-R51 WeakPolarHBondContact O-CG 3.42Å; T47-R51 PolarHBondContact O-N 3.35Å
48	D	76.5	Confident	68.3	Low	72 Å²	72	94.3 Å²	94.3	39%	0.385	53%	0.525	S	S	.	.	H	α-helix	trans	-77.8	-36.5	-178.4	-73.7	-35.7	0	0	0	113.1	H44 H45 D46 S50 R51 L52	H44-D48 PolarHBondContact O-N 3.21Å; H45-D48 PolarHBondContact O-N 3Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 PolarHBondContact O-N 3.32Å; D48-R51 PolarHBondContact O-N 3.28Å; D48-R51 IonicContact OD1-CZ 2.77Å; D48-R51 IonicContact OD1-NH1 2.71Å; D48-R51 PolarHBondContact OD1-NH1 2.88Å; D48-L52 WeakPolarHBondContact O-CB 3.14Å; D48-L52 PolarHBondContact O-N 3.01Å
49	A	78.4	Confident	71	Confident	50 Å²	50	87.5 Å²	87.5	41%	0.413	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-40.2	171.3	0	0	0	0	0	112.1	H45 S53	H45-A49 PolarHBondContact O-N 2.95Å; A49-S53 PolarHBondContact O-N 3.17Å; A49-S53 VanDerWaalsContact O-N 3.17Å; A49-S53 PolarHBondContact O-OG 2.99Å
50	S	82.6	Confident	73.6	Confident	60 Å²	60	82.7 Å²	82.7	42%	0.42	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-46.9	174.3	-60.1	0	0	0	0	111.5	D46 D48 L52 S53 Y54	D46-S50 VanDerWaalsContact O-CB 3.26Å; D46-S50 WeakPolarHBondContact O-CB 3.38Å; D46-S50 PolarHBondContact O-N 2.93Å; D46-S50 PolarHBondContact O-OG 3.03Å; D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 PolarHBondContact O-N 3.32Å; S50-L52 PolarHBondContact O-N 3.09Å; S50-S53 WeakPolarHBondContact O-CB 3.23Å; S50-S53 PolarHBondContact O-N 3.13Å; S50-Y54 WeakPolarHBondContact O-CD2 3.38Å; S50-Y54 PolarHBondContact O-N 2.91Å
51	R	86.7	Confident	76.1	Confident	153 Å²	153	79.1 Å²	79.1	58%	0.577	43%	0.433	S	S	*	.	H	α-helix	trans	-61.2	-44.2	178.1	-73	165.1	78.5	-149.2	6.6	112	T47 D48 S53 Y54 I55	T47-R51 WeakPolarHBondContact O-CB 3.49Å; T47-R51 WeakPolarHBondContact O-CD 3.25Å; T47-R51 WeakPolarHBondContact O-CG 3.42Å; T47-R51 PolarHBondContact O-N 3.35Å; D48-R51 PolarHBondContact O-N 3.28Å; D48-R51 IonicContact OD1-CZ 2.77Å; D48-R51 IonicContact OD1-NH1 2.71Å; D48-R51 PolarHBondContact OD1-NH1 2.88Å; R51-S53 VanDerWaalsContact C-N 3.28Å; R51-S53 PolarHBondContact O-N 3.17Å; R51-Y54 PolarHBondContact O-N 3.05Å; R51-I55 WeakPolarHBondContact O-CB 3.5Å; R51-I55 VanDerWaalsContact O-CG1 3.25Å; R51-I55 WeakPolarHBondContact O-CG1 3.42Å; R51-I55 PolarHBondContact O-N 2.92Å
52	L	87.5	Confident	78.5	Confident	16 Å²	16	74.8 Å²	74.8	8%	0.084	40%	0.404	C	S	.	.	H	α-helix	trans	-58.3	-41.9	175.3	-179.8	60.3	0	0	0	111.6	D48 S50 I55 K56 P506 M583	D48-L52 WeakPolarHBondContact O-CB 3.14Å; D48-L52 PolarHBondContact O-N 3.01Å; S50-L52 PolarHBondContact O-N 3.09Å; L52-I55 PolarHBondContact O-N 3.35Å; L52-K56 HydrophobicContact CD1-CG 4.46Å; L52-K56 HydrophobicContact CG-CD 4.46Å; L52-K56 WeakPolarHBondContact O-CG 3.42Å; L52-K56 PolarHBondContact O-N 3.01Å; L52-P506 WeakPolarHBondContact CD2-O 3.3Å; L52-M583 HydrophobicContact CD2-CE 4.46Å
53	S	86.5	Confident	80.5	Confident	65 Å²	65	68 Å²	68	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-63.3	-46.1	178.3	-57.2	0	0	0	0	112	A49 S50 R51 I55 K56 V57	A49-S53 PolarHBondContact O-N 3.17Å; A49-S53 VanDerWaalsContact O-N 3.17Å; A49-S53 PolarHBondContact O-OG 2.99Å; S50-S53 WeakPolarHBondContact O-CB 3.23Å; S50-S53 PolarHBondContact O-N 3.13Å; R51-S53 VanDerWaalsContact C-N 3.28Å; R51-S53 PolarHBondContact O-N 3.17Å; S53-I55 PolarHBondContact O-N 3.03Å; S53-K56 PolarHBondContact O-N 3.06Å; S53-V57 WeakPolarHBondContact O-CG2 3.23Å; S53-V57 PolarHBondContact O-N 2.9Å; S53-V57 VanDerWaalsContact O-N 3.13Å
54	Y	88.8	Confident	82.7	Confident	186 Å²	186	65 Å²	65	73%	0.729	35%	0.35	S	S	*	.	H	α-helix	trans	-63.6	-38.7	174.2	-72.6	-62.6	0	0	0	112.8	S50 R51 V57 G58	S50-Y54 WeakPolarHBondContact O-CD2 3.38Å; S50-Y54 PolarHBondContact O-N 2.91Å; R51-Y54 PolarHBondContact O-N 3.05Å; Y54-V57 PolarHBondContact O-N 3.32Å; Y54-G58 PolarHBondContact O-N 3.01Å
55	I	90.2	Very high	84.4	Confident	56 Å²	56	62.7 Å²	62.7	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-50.5	175.4	-71.5	166.5	0	0	0	109.7	R51 L52 S53 V57 G58 L59 T508	R51-I55 WeakPolarHBondContact O-CB 3.5Å; R51-I55 VanDerWaalsContact O-CG1 3.25Å; R51-I55 WeakPolarHBondContact O-CG1 3.42Å; R51-I55 PolarHBondContact O-N 2.92Å; L52-I55 PolarHBondContact O-N 3.35Å; S53-I55 PolarHBondContact O-N 3.03Å; I55-V57 VanDerWaalsContact C-N 3.33Å; I55-V57 PolarHBondContact O-N 3.13Å; I55-G58 CarbonylContact O-C 3.24Å; I55-G58 WeakPolarHBondContact O-CA 3.32Å; I55-G58 PolarHBondContact O-N 2.95Å; I55-L59 HydrophobicContact CG2-CD1 4.01Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CG 3.46Å; I55-L59 PolarHBondContact O-N 2.89Å; I55-T508 HydrophobicContact CD1-CG2 3.64Å; I55-T508 HydrophobicContact CG2-CG2 4.47Å
56	K	91.4	Very high	86	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-39.8	179	-73.9	-179.9	179.6	-178.8	0	113.3	L52 S53 G58 L59 A60 V502 G503 Q505 T511 V576 C580 M583	L52-K56 HydrophobicContact CD1-CG 4.46Å; L52-K56 HydrophobicContact CG-CD 4.46Å; L52-K56 WeakPolarHBondContact O-CG 3.42Å; L52-K56 PolarHBondContact O-N 3.01Å; S53-K56 PolarHBondContact O-N 3.06Å; K56-G58 VanDerWaalsContact C-N 3.33Å; K56-G58 PolarHBondContact O-N 2.83Å; K56-L59 PolarHBondContact O-N 3.22Å; K56-A60 WeakPolarHBondContact O-CB 3.24Å; K56-A60 PolarHBondContact O-N 2.7Å; K56-V502 WeakPolarHBondContact CE-O 3.24Å; K56-G503 PolarHBondContact NZ-O 3.16Å; K56-Q505 WeakPolarHBondContact CE-O 3.16Å; K56-Q505 PolarHBondContact NZ-O 2.78Å; K56-T511 HydrophobicContact CD-CG2 4.46Å; K56-T511 HydrophobicContact CG-CG2 3.81Å; K56-V576 HydrophobicContact CB-CG1 4.11Å; K56-C580 WeakPolarHBondContact CD-SG 3.37Å; K56-M583 PolarHBondContact NZ-SD 3.02Å
57	V	90.4	Very high	87.3	Confident	80 Å²	80	51 Å²	51	49%	0.485	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-37.6	172.7	174.7	0	0	0	0	111.6	S53 Y54 I55 A60 A61 L577	S53-V57 WeakPolarHBondContact O-CG2 3.23Å; S53-V57 PolarHBondContact O-N 2.9Å; S53-V57 VanDerWaalsContact O-N 3.13Å; Y54-V57 PolarHBondContact O-N 3.32Å; I55-V57 VanDerWaalsContact C-N 3.33Å; I55-V57 PolarHBondContact O-N 3.13Å; V57-A60 PolarHBondContact O-N 3.35Å; V57-A61 PolarHBondContact O-N 2.86Å; V57-L577 HydrophobicContact CG2-CD2 4.47Å
58	G	90.7	Very high	88.2	Confident	41 Å²	41	51.4 Å²	51.4	42%	0.423	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-41.1	172	0	0	0	0	0	113.4	Y54 I55 K56 A61 A62	Y54-G58 PolarHBondContact O-N 3.01Å; I55-G58 CarbonylContact O-C 3.24Å; I55-G58 WeakPolarHBondContact O-CA 3.32Å; I55-G58 PolarHBondContact O-N 2.95Å; K56-G58 VanDerWaalsContact C-N 3.33Å; K56-G58 PolarHBondContact O-N 2.83Å; G58-A61 PolarHBondContact O-N 3.36Å; G58-A62 WeakPolarHBondContact O-CB 3.45Å; G58-A62 PolarHBondContact O-N 3.08Å
59	L	91.1	Very high	88.7	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-39.2	176.7	-61.8	-179.1	0	0	0	112	I55 K56 A61 A62 F63 T511 L512 F515	I55-L59 HydrophobicContact CG2-CD1 4.01Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CG 3.46Å; I55-L59 PolarHBondContact O-N 2.89Å; K56-L59 PolarHBondContact O-N 3.22Å; L59-A61 PolarHBondContact O-N 2.74Å; L59-A62 WeakPolarHBondContact O-CB 3.35Å; L59-A62 PolarHBondContact O-N 3.06Å; L59-A62 VanDerWaalsContact O-N 3.14Å; L59-F63 PolarHBondContact O-N 2.71Å; L59-T511 HydrophobicContact CD1-CG2 3.63Å; L59-L512 HydrophobicContact CD1-CD2 4.12Å; L59-L512 HydrophobicContact CD2-CD2 4.02Å; L59-F515 HydrophobicContact CB-CD2 3.72Å; L59-F515 HydrophobicContact CB-CE2 3.85Å; L59-F515 HydrophobicContact CB-CG 4.34Å; L59-F515 HydrophobicContact CD1-CB 4.05Å; L59-F515 HydrophobicContact CD1-CD2 4.22Å; L59-F515 HydrophobicContact CD1-CG 4.03Å; L59-F515 HydrophobicContact CD2-CD1 3.7Å; L59-F515 HydrophobicContact CD2-CD2 3.92Å; L59-F515 HydrophobicContact CD2-CE1 3.71Å; L59-F515 HydrophobicContact CD2-CE2 3.95Å; L59-F515 HydrophobicContact CD2-CG 3.8Å; L59-F515 HydrophobicContact CD2-CZ 3.84Å; L59-F515 HydrophobicContact CG-CD2 4.14Å; L59-F515 HydrophobicContact CG-CE2 4.41Å; L59-F515 HydrophobicContact CG-CG 4.25Å
60	A	91.4	Very high	89.2	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-57	-48	170.4	0	0	0	0	0	111.3	K56 V57 A62 F63 F64 P573 V576	K56-A60 WeakPolarHBondContact O-CB 3.24Å; K56-A60 PolarHBondContact O-N 2.7Å; V57-A60 PolarHBondContact O-N 3.35Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 3.13Å; A60-F63 PolarHBondContact O-N 3.14Å; A60-F64 PolarHBondContact O-N 3.4Å; A60-P573 HydrophobicContact CB-CB 4.17Å; A60-P573 WeakPolarHBondContact O-CG 3.46Å; A60-V576 HydrophobicContact CB-CB 4.07Å; A60-V576 HydrophobicContact CB-CG1 4.05Å
61	A	91.3	Very high	89.2	Confident	45 Å²	45	46.5 Å²	46.5	37%	0.372	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-36.7	174.7	0	0	0	0	0	112.6	V57 G58 L59 F64 F65	V57-A61 PolarHBondContact O-N 2.86Å; G58-A61 PolarHBondContact O-N 3.36Å; L59-A61 PolarHBondContact O-N 2.74Å; A61-F64 PolarHBondContact O-N 3.36Å; A61-F65 WeakPolarHBondContact O-CD2 3.22Å; A61-F65 PolarHBondContact O-N 3.33Å; A61-F65 VanDerWaalsContact O-N 3.17Å
62	A	91	Very high	88.9	Confident	17 Å²	17	40.4 Å²	40.4	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-43.3	176.4	0	0	0	0	0	112.2	G58 L59 A60 T66 F515	G58-A62 WeakPolarHBondContact O-CB 3.45Å; G58-A62 PolarHBondContact O-N 3.08Å; L59-A62 WeakPolarHBondContact O-CB 3.35Å; L59-A62 PolarHBondContact O-N 3.06Å; L59-A62 VanDerWaalsContact O-N 3.14Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 3.13Å; A62-T66 WeakPolarHBondContact O-CB 3.31Å; A62-T66 PolarHBondContact O-N 3.21Å; A62-T66 PolarHBondContact O-OG1 3.41Å; A62-F515 HydrophobicContact CB-CE2 4.13Å; A62-F515 HydrophobicContact CB-CZ 3.72Å
63	F	90.9	Very high	88.8	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-51.1	172.5	-77.8	-49.9	0	0	0	111.6	L59 A60 F65 T66 V67 V502 F515 I518 L519 V576	L59-F63 PolarHBondContact O-N 2.71Å; A60-F63 PolarHBondContact O-N 3.14Å; F63-F65 PolarHBondContact O-N 3.4Å; F63-T66 PolarHBondContact O-N 3.3Å; F63-V67 WeakPolarHBondContact O-CG2 3.4Å; F63-V67 PolarHBondContact O-N 3.19Å; F63-V502 HydrophobicContact CE2-CG2 4.44Å; F63-V502 HydrophobicContact CZ-CG2 4.4Å; F63-F515 HydrophobicContact CD1-CD2 4.33Å; F63-F515 AromaticContact CD1-CE2 3.9Å; F63-F515 HydrophobicContact CD1-CE2 3.9Å; F63-F515 HydrophobicContact CD2-CD2 4.16Å; F63-F515 HydrophobicContact CD2-CE2 4.04Å; F63-F515 AromaticContact CE1-CD2 3.77Å; F63-F515 HydrophobicContact CE1-CD2 3.77Å; F63-F515 AromaticContact CE1-CE2 3.76Å; F63-F515 HydrophobicContact CE1-CE2 3.76Å; F63-F515 AromaticContact CE2-CD2 3.6Å; F63-F515 HydrophobicContact CE2-CD2 3.6Å; F63-F515 AromaticContact CE2-CE2 3.95Å; F63-F515 HydrophobicContact CE2-CE2 3.95Å; F63-F515 HydrophobicContact CG-CE2 4.03Å; F63-F515 AromaticContact CZ-CD2 3.38Å; F63-F515 HydrophobicContact CZ-CD2 3.38Å; F63-F515 AromaticContact CZ-CE2 3.81Å; F63-F515 HydrophobicContact CZ-CE2 3.81Å; F63-F515 HydrophobicContact CZ-CG 4.36Å; F63-I518 HydrophobicContact CE1-CB 4.24Å; F63-I518 HydrophobicContact CE1-CG2 3.66Å; F63-I518 HydrophobicContact CZ-CB 4.15Å; F63-I518 HydrophobicContact CZ-CG2 3.7Å; F63-L519 HydrophobicContact CD1-CD1 3.76Å; F63-L519 HydrophobicContact CE1-CB 4.22Å; F63-L519 HydrophobicContact CE1-CD1 4.1Å; F63-V576 HydrophobicContact CD2-CG2 4.26Å; F63-V576 HydrophobicContact CE2-CG2 4.13Å
64	F	91.1	Very high	88.4	Confident	52 Å²	52	40.6 Å²	40.6	23%	0.228	23%	0.225	C	C	.	.	H	α-helix	trans	-53.4	-55.3	-178.5	178.7	-102.7	0	0	0	112.6	A60 A61 T66 V67 L68 L566 A569 P573	A60-F64 PolarHBondContact O-N 3.4Å; A61-F64 PolarHBondContact O-N 3.36Å; F64-T66 VanDerWaalsContact C-N 3.34Å; F64-T66 PolarHBondContact O-N 3.21Å; F64-V67 PolarHBondContact O-N 2.89Å; F64-L68 HydrophobicContact CD1-CD1 4.06Å; F64-L68 HydrophobicContact CE1-CD1 3.5Å; F64-L68 HydrophobicContact CE2-CD1 4.06Å; F64-L68 HydrophobicContact CZ-CD1 3.51Å; F64-L68 WeakPolarHBondContact O-CG 3.24Å; F64-L68 PolarHBondContact O-N 3.33Å; F64-L566 HydrophobicContact CE2-CD1 3.9Å; F64-L566 HydrophobicContact CZ-CD1 4.07Å; F64-A569 HydrophobicContact CD2-CB 3.84Å; F64-A569 HydrophobicContact CE2-CB 4.07Å; F64-P573 HydrophobicContact CB-CG 3.78Å; F64-P573 HydrophobicContact CD2-CG 4.49Å
65	F	90.3	Very high	87.8	Confident	98 Å²	98	32.4 Å²	32.4	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-68.6	-33.1	-179.3	-70.4	-62	0	0	0	112.6	W4 A61 F63 I69	W4-F65 HydrophobicContact CH2-CB 4.03Å; W4-F65 HydrophobicContact CZ2-CB 3.63Å; W4-F65 HydrophobicContact CZ2-CG 4.47Å; A61-F65 WeakPolarHBondContact O-CD2 3.22Å; A61-F65 PolarHBondContact O-N 3.33Å; A61-F65 VanDerWaalsContact O-N 3.17Å; F63-F65 PolarHBondContact O-N 3.4Å; F65-I69 HydrophobicContact CB-CD1 4.49Å; F65-I69 WeakPolarHBondContact O-CB 3.37Å; F65-I69 WeakPolarHBondContact O-CD1 3.35Å; F65-I69 WeakPolarHBondContact O-CG1 3.32Å; F65-I69 PolarHBondContact O-N 2.93Å
66	T	89.7	Confident	87.3	Confident	6 Å²	6	35.4 Å²	35.4	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-44.2	177.9	-60.2	0	0	0	0	111.5	A62 F63 F64 S70 L519 I523	A62-T66 WeakPolarHBondContact O-CB 3.31Å; A62-T66 PolarHBondContact O-N 3.21Å; A62-T66 PolarHBondContact O-OG1 3.41Å; F63-T66 PolarHBondContact O-N 3.3Å; F64-T66 VanDerWaalsContact C-N 3.34Å; F64-T66 PolarHBondContact O-N 3.21Å; T66-S70 WeakPolarHBondContact O-CB 3.43Å; T66-S70 PolarHBondContact O-N 2.9Å; T66-S70 PolarHBondContact O-OG 2.73Å; T66-L519 HydrophobicContact CG2-CD1 3.76Å; T66-L519 HydrophobicContact CG2-CG 4.36Å; T66-I523 HydrophobicContact CG2-CD1 3.93Å; T66-I523 HydrophobicContact CG2-CG1 3.27Å
67	V	88.1	Confident	86.7	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-49	177.1	176.6	0	0	0	0	111.2	F63 F64 I69 S70 C71 K522 A526 L568 A569	F63-V67 WeakPolarHBondContact O-CG2 3.4Å; F63-V67 PolarHBondContact O-N 3.19Å; F64-V67 PolarHBondContact O-N 2.89Å; V67-I69 PolarHBondContact O-N 3.47Å; V67-S70 PolarHBondContact O-N 3.49Å; V67-C71 WeakPolarHBondContact O-CB 3.35Å; V67-C71 PolarHBondContact O-N 3.05Å; V67-K522 HydrophobicContact CG2-CD 3.89Å; V67-K522 VanDerWaalsContact CG2-CE 3.42Å; V67-K522 HydrophobicContact CG2-CG 3.94Å; V67-A526 HydrophobicContact CG1-CB 4.39Å; V67-L568 HydrophobicContact CG1-CG 4.4Å; V67-A569 HydrophobicContact CB-CB 3.96Å; V67-A569 HydrophobicContact CG1-CB 3.87Å
68	L	87.1	Confident	85.8	Confident	59 Å²	59	35.9 Å²	35.9	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-43.5	-179.9	-69.6	178.9	0	0	0	112.4	F64 G72 T565 A569	F64-L68 HydrophobicContact CD1-CD1 4.06Å; F64-L68 HydrophobicContact CE1-CD1 3.5Å; F64-L68 HydrophobicContact CE2-CD1 4.06Å; F64-L68 HydrophobicContact CZ-CD1 3.51Å; F64-L68 WeakPolarHBondContact O-CG 3.24Å; F64-L68 PolarHBondContact O-N 3.33Å; L68-G72 WeakPolarHBondContact O-CA 3.12Å; L68-G72 PolarHBondContact O-N 2.9Å; L68-T565 HydrophobicContact CD2-CG2 4.31Å; L68-A569 HydrophobicContact CD2-CB 3.82Å; L68-A569 HydrophobicContact CG-CB 3.82Å
69	I	87.6	Confident	84.8	Confident	60 Å²	60	37.9 Å²	37.9	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-68.9	-43.3	178.2	-67.2	166.8	0	0	0	110.6	M1 W4 F65 V67 G72 L73	M1-I69 HydrophobicContact CE-CG2 4.23Å; W4-I69 HydrophobicContact CD2-CD1 4.29Å; W4-I69 HydrophobicContact CE3-CD1 3.78Å; W4-I69 HydrophobicContact CH2-CD1 4.49Å; W4-I69 HydrophobicContact CZ3-CD1 3.89Å; F65-I69 HydrophobicContact CB-CD1 4.49Å; F65-I69 WeakPolarHBondContact O-CB 3.37Å; F65-I69 WeakPolarHBondContact O-CD1 3.35Å; F65-I69 WeakPolarHBondContact O-CG1 3.32Å; F65-I69 PolarHBondContact O-N 2.93Å; V67-I69 PolarHBondContact O-N 3.47Å; I69-G72 PolarHBondContact O-N 2.9Å; I69-L73 WeakPolarHBondContact O-CB 3.36Å; I69-L73 PolarHBondContact O-N 3.32Å
70	S	87.9	Confident	84.1	Confident	14 Å²	14	42.9 Å²	42.9	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-36.2	-175.2	-60.1	0	0	0	0	112.9	T66 V67 P74 I527	T66-S70 WeakPolarHBondContact O-CB 3.43Å; T66-S70 PolarHBondContact O-N 2.9Å; T66-S70 PolarHBondContact O-OG 2.73Å; V67-S70 PolarHBondContact O-N 3.49Å; S70-P74 WeakPolarHBondContact O-CD 3.45Å; S70-I527 WeakPolarHBondContact O-CG1 3.11Å
71	C	83.3	Confident	83.1	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.034	24%	0.238	C	C	.	.	H	α-helix	trans	-78.7	-36.5	172.4	-173.1	0	0	0	0	112.4	V67 A526 T565	V67-C71 WeakPolarHBondContact O-CB 3.35Å; V67-C71 PolarHBondContact O-N 3.05Å; C71-A526 VanDerWaalsContact CA-O 3.29Å; C71-A526 WeakPolarHBondContact CA-O 3.36Å; C71-A526 HydrophobicContact CB-CB 4.34Å; C71-T565 HydrophobicContact CB-CG2 3.64Å
72	G	81.5	Confident	81.8	Confident	25 Å²	25	47.2 Å²	47.2	26%	0.258	24%	0.241	S	C	.	.	H	α-helix	trans	-71.3	-33.8	180	0	0	0	0	0	114	L68 I69 V75 L76	L68-G72 WeakPolarHBondContact O-CA 3.12Å; L68-G72 PolarHBondContact O-N 2.9Å; I69-G72 PolarHBondContact O-N 2.9Å; G72-V75 PolarHBondContact O-N 3.02Å; G72-L76 WeakPolarHBondContact O-CB 3.08Å; G72-L76 WeakPolarHBondContact O-CG 3.24Å; G72-L76 PolarHBondContact O-N 2.93Å
73	L	84.2	Confident	80.8	Confident	78 Å²	78	51.7 Å²	51.7	41%	0.408	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-46.6	-176	-177.8	157.5	0	0	0	113.2	M1 I69 V75 L76 L77	M1-L73 HydrophobicContact CE-CD1 4.11Å; I69-L73 WeakPolarHBondContact O-CB 3.36Å; I69-L73 PolarHBondContact O-N 3.32Å; L73-V75 PolarHBondContact O-N 3.44Å; L73-L76 PolarHBondContact O-N 3.06Å; L73-L77 WeakPolarHBondContact O-CB 3.3Å; L73-L77 PolarHBondContact O-N 3Å
74	P	79.4	Confident	79.7	Confident	7 Å²	7	59.1 Å²	59.1	5%	0.045	29%	0.287	C	S	.	.	H	α-helix	trans	-55.5	-44.4	171.5	-30.7	37.1	0	0	0	114.2	S70 L77 I78 I527 V531	S70-P74 WeakPolarHBondContact O-CD 3.45Å; P74-L77 PolarHBondContact O-N 3.33Å; P74-I78 WeakPolarHBondContact O-CB 3.22Å; P74-I78 PolarHBondContact O-N 3.16Å; P74-I527 HydrophobicContact CG-CG2 4.23Å; P74-V531 HydrophobicContact CB-CB 4.46Å; P74-V531 HydrophobicContact CB-CG2 3.73Å; P74-V531 HydrophobicContact CG-CG2 3.93Å
75	V	74.5	Confident	78.3	Confident	14 Å²	14	59 Å²	59	9%	0.085	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-44.8	-178.9	-174.2	0	0	0	0	110.7	G72 L73 I78 N79 A534 F558	G72-V75 PolarHBondContact O-N 3.02Å; L73-V75 PolarHBondContact O-N 3.44Å; V75-I78 PolarHBondContact O-N 3.41Å; V75-N79 WeakPolarHBondContact O-CB 3.26Å; V75-N79 PolarHBondContact O-N 2.97Å; V75-N79 PolarHBondContact O-ND2 3.38Å; V75-A534 HydrophobicContact CG2-CB 4.26Å; V75-F558 HydrophobicContact CG1-CD2 4.47Å; V75-F558 HydrophobicContact CG1-CE2 4.05Å
76	L	79.9	Confident	76.8	Confident	120 Å²	120	58.3 Å²	58.3	63%	0.628	30%	0.296	S	S	*	.	H	α-helix	trans	-63.6	-40.4	174.8	-70.9	172.9	0	0	0	112	G72 L73 N79 Y80	G72-L76 WeakPolarHBondContact O-CB 3.08Å; G72-L76 WeakPolarHBondContact O-CG 3.24Å; G72-L76 PolarHBondContact O-N 2.93Å; L73-L76 PolarHBondContact O-N 3.06Å; L76-N79 PolarHBondContact O-N 2.71Å; L76-Y80 VanDerWaalsContact O-CB 3.24Å; L76-Y80 WeakPolarHBondContact O-CB 3.44Å; L76-Y80 PolarHBondContact O-N 3.45Å
77	L	80	Confident	74.8	Confident	79 Å²	79	62.8 Å²	62.8	41%	0.414	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-44.1	176.8	177	61.2	0	0	0	111.5	L73 P74 Y80 L81	L73-L77 WeakPolarHBondContact O-CB 3.3Å; L73-L77 PolarHBondContact O-N 3Å; P74-L77 PolarHBondContact O-N 3.33Å; L77-Y80 PolarHBondContact O-N 3.07Å; L77-L81 HydrophobicContact CD1-CD1 3.98Å; L77-L81 HydrophobicContact CD1-CG 4.18Å; L77-L81 HydrophobicContact CG-CD1 3.97Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.28Å
78	I	70.8	Confident	72.8	Confident	11 Å²	11	67.3 Å²	67.3	6%	0.056	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-39.6	178	-80.2	163.6	0	0	0	111.2	P74 V75 L81 K82 F256 A534 N538	P74-I78 WeakPolarHBondContact O-CB 3.22Å; P74-I78 PolarHBondContact O-N 3.16Å; V75-I78 PolarHBondContact O-N 3.41Å; I78-L81 PolarHBondContact O-N 3.37Å; I78-K82 VanDerWaalsContact O-CB 3.25Å; I78-K82 WeakPolarHBondContact O-CB 3.4Å; I78-K82 PolarHBondContact O-N 2.98Å; I78-F256 HydrophobicContact CD1-CD1 4.07Å; I78-F256 HydrophobicContact CD1-CE1 3.61Å; I78-F256 HydrophobicContact CD1-CZ 3.92Å; I78-F256 HydrophobicContact CG1-CD1 4.47Å; I78-F256 HydrophobicContact CG1-CE1 3.59Å; I78-F256 HydrophobicContact CG1-CE2 4.2Å; I78-F256 HydrophobicContact CG1-CZ 3.43Å; I78-F256 VanDerWaalsContact CG1-CZ 3.43Å; I78-A534 HydrophobicContact CB-CB 4.17Å; I78-A534 HydrophobicContact CD1-CB 3.33Å; I78-A534 HydrophobicContact CG1-CB 4.31Å; I78-A534 HydrophobicContact CG2-CB 4.2Å; I78-N538 VanDerWaalsContact CG2-ND2 3.26Å; I78-N538 WeakPolarHBondContact CG2-ND2 3.43Å
79	N	70.5	Confident	70.8	Confident	83 Å²	83	72.8 Å²	72.8	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-43.7	171.9	-74.6	-21.6	0	0	0	112	V75 L76 L81 K82 E83	V75-N79 WeakPolarHBondContact O-CB 3.26Å; V75-N79 PolarHBondContact O-N 2.97Å; V75-N79 PolarHBondContact O-ND2 3.38Å; L76-N79 PolarHBondContact O-N 2.71Å; N79-L81 PolarHBondContact O-N 3.22Å; N79-K82 WeakPolarHBondContact O-CB 3.36Å; N79-K82 PolarHBondContact O-N 3.17Å; N79-E83 WeakPolarHBondContact O-CB 3.42Å; N79-E83 PolarHBondContact O-N 3.42Å
80	Y	75.1	Confident	68.6	Low	119 Å²	119	76.4 Å²	76.4	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-39.8	176.6	-178.7	-104.5	0	0	0	112.9	L76 L77 E83 R84	L76-Y80 VanDerWaalsContact O-CB 3.24Å; L76-Y80 WeakPolarHBondContact O-CB 3.44Å; L76-Y80 PolarHBondContact O-N 3.45Å; L77-Y80 PolarHBondContact O-N 3.07Å; Y80-E83 PolarHBondContact O-N 3.37Å; Y80-R84 HydrophobicContact CE1-CG 4.15Å; Y80-R84 VanDerWaalsContact CE1-NE 3.27Å; Y80-R84 VanDerWaalsContact CZ-NE 3.3Å; Y80-R84 WeakPolarHBondContact O-CB 3.3Å; Y80-R84 PolarHBondContact O-N 3.11Å; Y80-R84 PolarHBondContact OH-NE 3.4Å; Y80-R84 PolarHBondContact OH-NH2 3.45Å
81	L	70	Confident	66.2	Low	44 Å²	44	81.2 Å²	81.2	23%	0.23	43%	0.427	C	S	.	.	H	α-helix	trans	-69	-35.2	174.1	-72.3	169.2	0	0	0	111.6	L77 I78 N79 N85 L252 F256	L77-L81 HydrophobicContact CD1-CD1 3.98Å; L77-L81 HydrophobicContact CD1-CG 4.18Å; L77-L81 HydrophobicContact CG-CD1 3.97Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.28Å; I78-L81 PolarHBondContact O-N 3.37Å; N79-L81 PolarHBondContact O-N 3.22Å; L81-N85 WeakPolarHBondContact O-CB 3.38Å; L81-N85 PolarHBondContact O-N 3.07Å; L81-N85 PolarHBondContact O-ND2 2.91Å; L81-L252 HydrophobicContact CD1-CD2 4.45Å; L81-F256 HydrophobicContact CD1-CZ 3.92Å
82	K	65.9	Low	63.9	Low	97 Å²	97	87.2 Å²	87.2	42%	0.422	46%	0.458	S	S	.	.	H	α-helix	trans	-64.5	-47.6	173.1	-170.7	169.2	-175.6	164.3	0	110.6	I78 N79 N85 S86 N538	I78-K82 VanDerWaalsContact O-CB 3.25Å; I78-K82 WeakPolarHBondContact O-CB 3.4Å; I78-K82 PolarHBondContact O-N 2.98Å; N79-K82 WeakPolarHBondContact O-CB 3.36Å; N79-K82 PolarHBondContact O-N 3.17Å; K82-N85 CarbonylContact O-C 3.6Å; K82-N85 PolarHBondContact O-N 3.28Å; K82-N85 VanDerWaalsContact O-N 3.11Å; K82-S86 PolarHBondContact O-N 2.86Å; K82-S86 PolarHBondContact O-OG 2.74Å; K82-N538 PolarHBondContact NZ-OD1 3.26Å
83	E	69.9	Low	61.9	Low	111 Å²	111	89.4 Å²	89.4	52%	0.519	46%	0.464	S	S	.	.	H	α-helix	trans	-63.2	-47.2	177.9	-172.6	172.4	-152.1	0	0	112.6	N79 Y80 N85 S86 L87	N79-E83 WeakPolarHBondContact O-CB 3.42Å; N79-E83 PolarHBondContact O-N 3.42Å; Y80-E83 PolarHBondContact O-N 3.37Å; E83-N85 PolarHBondContact O-N 3.12Å; E83-N85 VanDerWaalsContact O-N 3.14Å; E83-S86 WeakPolarHBondContact CA-OG 3.46Å; E83-S86 PolarHBondContact O-N 3.07Å; E83-S86 PolarHBondContact O-OG 2.8Å; E83-S86 VanDerWaalsContact O-OG 3.13Å; E83-L87 HydrophobicContact CG-CD1 4.28Å; E83-L87 HydrophobicContact CG-CG 4.28Å; E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 3.3Å
84	R	66.3	Low	59.7	Low	158 Å²	158	97.2 Å²	97.2	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-56	-29.4	171.7	-88.2	-163.2	176.2	-153.4	4.1	113.5	Y80	Y80-R84 HydrophobicContact CE1-CG 4.15Å; Y80-R84 VanDerWaalsContact CE1-NE 3.27Å; Y80-R84 VanDerWaalsContact CZ-NE 3.3Å; Y80-R84 WeakPolarHBondContact O-CB 3.3Å; Y80-R84 PolarHBondContact O-N 3.11Å; Y80-R84 PolarHBondContact OH-NE 3.4Å; Y80-R84 PolarHBondContact OH-NH2 3.45Å
85	N	62.1	Low	57.5	Low	48 Å²	48	107.2 Å²	107.2	26%	0.257	53%	0.525	S	S	.	.	H	α-helix	trans	-87.3	-21.5	178	-77.8	-52.2	0	0	0	113.3	L81 K82 E83	L81-N85 WeakPolarHBondContact O-CB 3.38Å; L81-N85 PolarHBondContact O-N 3.07Å; L81-N85 PolarHBondContact O-ND2 2.91Å; K82-N85 CarbonylContact O-C 3.6Å; K82-N85 PolarHBondContact O-N 3.28Å; K82-N85 VanDerWaalsContact O-N 3.11Å; E83-N85 PolarHBondContact O-N 3.12Å; E83-N85 VanDerWaalsContact O-N 3.14Å
86	S	58.4	Low	55.5	Low	84 Å²	84	115.9 Å²	115.9	59%	0.587	56%	0.562	S	S	*	*	H	α-helix	trans	-94.2	-24.3	177	58.5	0	0	0	0	114.3	K82 E83 P88	K82-S86 PolarHBondContact O-N 2.86Å; K82-S86 PolarHBondContact O-OG 2.74Å; E83-S86 WeakPolarHBondContact CA-OG 3.46Å; E83-S86 PolarHBondContact O-N 3.07Å; E83-S86 PolarHBondContact O-OG 2.8Å; E83-S86 VanDerWaalsContact O-OG 3.13Å; S86-P88 WeakPolarHBondContact O-CD 3.43Å
87	L	49.1	Very low	53.4	Low	101 Å²	101	118.6 Å²	118.6	53%	0.529	57%	0.571	S	S	.	*			trans	-55.9	120.1	178.4	-83	167.6	0	0	0	111.5	E83	E83-L87 HydrophobicContact CG-CD1 4.28Å; E83-L87 HydrophobicContact CG-CG 4.28Å; E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 3.3Å
88	P	46.3	Very low	51.3	Low	96 Å²	96	124 Å²	124	62%	0.623	60%	0.599	S	S	*	*			trans	-77.9	135.7	169.4	31.8	-31.5	0	0	0	109.5	S86 V90	S86-P88 WeakPolarHBondContact O-CD 3.43Å; P88-V90 PolarHBondContact O-N 3.15Å
89	L	43.8	Very low	49.4	Very low	175 Å²	175	126.6 Å²	126.6	92%	0.916	63%	0.628	S	S	*	*			trans	-69.9	98.1	165.2	-91.6	160.9	0	0	0	108.3	N91	L89-N91 PolarHBondContact O-N 3.36Å; L89-N91 VanDerWaalsContact O-N 3.14Å
90	V	42.1	Very low	47.7	Very low	135 Å²	135	132.4 Å²	132.4	82%	0.818	65%	0.65	S	S	*	*			trans	-67.6	106.6	168.9	179.6	0	0	0	0	107.3	P88	P88-V90 PolarHBondContact O-N 3.15Å
91	N	36.7	Very low	45.7	Very low	116 Å²	116	133.3 Å²	133.3	62%	0.62	67%	0.667	S	S	*	*			trans	-106.6	147.6	173.8	-163.8	20.7	0	0	0	110	L89	L89-N91 PolarHBondContact O-N 3.36Å; L89-N91 VanDerWaalsContact O-N 3.14Å
92	D	35.3	Very low	44	Very low	130 Å²	130	143 Å²	143	70%	0.695	70%	0.701	S	S	*	*			trans	-73.8	135.8	-169	-134.7	-33.3	0	0	0	112.1	S355	D92-S355 PolarHBondContact O-OG 3.36Å
93	N	39.2	Very low	42.5	Very low	71 Å²	71	146.2 Å²	146.2	38%	0.38	72%	0.717	S	S	.	*			trans	-168.9	16.2	166.4	-133.3	19.1	0	0	0	114.6	R95 E354 S355 N356	N93-R95 PolarHBondContact O-N 2.95Å; N93-E354 PolarHBondContact ND2-O 3.2Å; N93-S355 VanDerWaalsContact CG-OG 3.27Å; N93-S355 WeakPolarHBondContact ND2-CA 3.49Å; N93-S355 PolarHBondContact ND2-OG 3.42Å; N93-N356 PolarHBondContact OD1-ND2 3.17Å
94	R	37.8	Very low	40.9	Very low	242 Å²	242	148.9 Å²	148.9	91%	0.913	74%	0.735	S	S	*	*			trans	-79.5	35.2	-171.1	-143.8	-171.8	-63.4	-155.4	4.1	113.9
95	R	34.1	Very low	39.6	Very low	217 Å²	217	143.5 Å²	143.5	82%	0.819	73%	0.729	S	S	*	*			trans	-123.9	148.8	174.9	-62	-176.5	-176.3	-173.7	2.1	108.7	N93	N93-R95 PolarHBondContact O-N 2.95Å
96	F	31.8	Very low	38.5	Very low	197 Å²	197	146.1 Å²	146.1	86%	0.864	75%	0.75	S	S	*	*	S	Bend	trans	67.8	80.8	-169.8	-64	-91.7	0	0	0	116
97	H	36	Very low	37.5	Very low	176 Å²	176	148 Å²	148	82%	0.815	75%	0.754	S	S	*	*				-178.4	-7.1	111.2	-115.5	-84.1	0	0	0	116.3	G99	H97-G99 VanDerWaalsContact C-N 3.28Å; H97-G99 PolarHBondContact O-N 3.46Å
98	L	35	Very low	36.8	Very low	193 Å²	193	151.3 Å²	151.3	100%	1.01	77%	0.767	S	S	*	*			trans	-67.1	83.1	170.4	-98.6	149.7	0	0	0	110.7
99	G	32	Very low	36	Very low	65 Å²	65	153.6 Å²	153.6	67%	0.67	77%	0.772	S	S	*	*			trans	-165.3	34.7	-166.9	0	0	0	0	0	115.9	H97	H97-G99 VanDerWaalsContact C-N 3.28Å; H97-G99 PolarHBondContact O-N 3.46Å
100	K	33.8	Very low	35.4	Very low	206 Å²	206	153.8 Å²	153.8	90%	0.896	77%	0.766	S	S	*	*			trans	-169.4	86.6	163.2	-106.9	153.5	-172.9	174	0	112
101	V	34.7	Very low	34.8	Very low	138 Å²	138	153.9 Å²	153.9	84%	0.836	76%	0.76	S	S	*	*			trans	-111.5	119.5	157.3	177.5	0	0	0	0	106.5
102	R	33.3	Very low	34.6	Very low	246 Å²	246	155.9 Å²	155.9	93%	0.928	77%	0.766	S	S	*	*			trans	-101.7	106.6	-174.6	-164.4	179.3	-167.1	-179	3.7	109.6
103	H	34.4	Very low	34.5	Very low	166 Å²	166	155 Å²	155	77%	0.769	76%	0.761	S	S	*	*			trans	-59.3	147.5	174.7	-108.3	-108	0	0	0	112.3
104	N	36.9	Very low	34.1	Very low	167 Å²	167	161.2 Å²	161.2	89%	0.893	78%	0.779	S	S	*	*			trans	-154.9	141.6	157	-141.4	16.9	0	0	0	108.8
105	G	39.1	Very low	33.9	Very low	45 Å²	45	155.7 Å²	155.7	46%	0.464	77%	0.768	S	S	.	*	S	Bend	trans	94.7	81.7	173.2	0	0	0	0	0	117.3
106	S	39.3	Very low	33.8	Very low	102 Å²	102	152.6 Å²	152.6	71%	0.713	77%	0.768	S	S	*	*			trans	65.8	130.9	140.2	-51.8	0	0	0	0	122.4
107	D	36.7	Very low	33.9	Very low	125 Å²	125	151 Å²	151	67%	0.668	77%	0.768	S	S	*	*			trans	58.3	108.7	152	-54.4	-45.5	0	0	0	118.8
108	Q	34.4	Very low	33.6	Very low	170 Å²	170	150.1 Å²	150.1	79%	0.794	77%	0.768	S	S	*	*				68.6	127.5	77.5	-70.7	-165.8	91.1	0	0	111.7
109	I	30	Very low	33.5	Very low	144 Å²	144	148.9 Å²	148.9	74%	0.738	75%	0.754	S	S	*	*			cis	-151.2	143.8	40.6	-74.9	-176.3	0	0	0	111.9
110	K	30.4	Very low	33.3	Very low	178 Å²	178	155.6 Å²	155.6	77%	0.774	77%	0.766	S	S	*	*			trans	44.8	116.3	147.7	-149.3	174.4	-173.9	179.8	0	119.8
111	I	30.2	Very low	33.2	Very low	137 Å²	137	152.2 Å²	152.2	70%	0.703	75%	0.753	S	S	*	*				84.6	127.9	57.3	-65.6	165.1	0	0	0	114.5
112	E	32.2	Very low	32.8	Very low	158 Å²	158	155.6 Å²	155.6	74%	0.738	75%	0.752	S	S	*	*			trans	66.8	148.8	169	-77.2	175.8	106	0	0	117.6
113	N	32.2	Very low	32.5	Very low	112 Å²	112	148.3 Å²	148.3	60%	0.599	74%	0.738	S	S	*	*			cis	-152.5	173.9	1.3	-129.2	-28.5	0	0	0	112.7
114	R	30.9	Very low	32.4	Very low	201 Å²	201	147.6 Å²	147.6	76%	0.758	74%	0.74	S	S	*	*			trans	12.3	151	139	-77.4	-172.9	-170.8	179.5	2.9	121.3
115	D	35	Very low	32	Very low	126 Å²	126	147.6 Å²	147.6	67%	0.674	74%	0.738	S	S	*	*			cis	-147.5	178.1	14.7	-96.3	-37.8	0	0	0	112.1
116	D	32.4	Very low	31.6	Very low	153 Å²	153	152.6 Å²	152.6	82%	0.818	76%	0.755	S	S	*	*			trans	-17.4	136.9	168.7	-56.3	-39.3	0	0	0	120.3
117	D	34.1	Very low	31.3	Very low	162 Å²	162	154.9 Å²	154.9	87%	0.866	76%	0.758	S	S	*	*			trans	-154.8	144.5	132	-146.8	-15.7	0	0	0	112.5
118	I	29.1	Very low	30.9	Very low	159 Å²	159	154.2 Å²	154.2	82%	0.815	76%	0.763	S	S	*	*			trans	-102.3	109.2	-176.9	-61.8	176.4	0	0	0	109.8
119	K	32.5	Very low	31.3	Very low	166 Å²	166	151.7 Å²	151.7	72%	0.722	76%	0.762	S	S	*	*			trans	-122	112.2	-177.7	-143.2	-174.6	-173	-156.1	0	114.3	Q121	K119-Q121 VanDerWaalsContact CE-OE1 3.27Å
120	F	27.4	Very low	31.8	Very low	207 Å²	207	150.4 Å²	150.4	91%	0.908	76%	0.763	S	S	*	*			trans	-66.9	129.4	154.4	-91.2	-102.4	0	0	0	108.8
121	Q	31.1	Very low	31.9	Very low	135 Å²	135	147.8 Å²	147.8	63%	0.631	77%	0.767	S	S	*	*			trans	-140.5	130.8	171.5	-163.5	78.2	51.5	0	0	108.5	K119	K119-Q121 VanDerWaalsContact CE-OE1 3.27Å
122	Y	28.1	Very low	32	Very low	209 Å²	209	145.1 Å²	145.1	82%	0.82	77%	0.773	S	S	*	*			trans	-115.7	135.3	-179.6	-145.3	-83.7	0	0	0	107.6
123	C	26.7	Very low	32	Very low	92 Å²	92	148 Å²	148	62%	0.622	78%	0.777	S	S	*	*			trans	62.6	145.7	-168.9	-59.3	0	0	0	0	112.7
124	D	31.6	Very low	32.2	Very low	152 Å²	152	147.8 Å²	147.8	81%	0.813	79%	0.785	S	S	*	*				-142	170	55.5	-78.2	-46.6	0	0	0	114.9
125	L	29	Very low	32.7	Very low	166 Å²	166	143.4 Å²	143.4	87%	0.869	78%	0.782	S	S	*	*			trans	-84.6	128.5	158	-72.8	75.9	0	0	0	107.9
126	D	30	Very low	32.5	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	79%	0.789	S	S	*	*			trans	-156.7	173	142.7	-132.2	-31.7	0	0	0	113.9
127	L	32.5	Very low	32.4	Very low	149 Å²	149	143.2 Å²	143.2	78%	0.78	79%	0.786	S	S	*	*			trans	-72.2	133.4	-165	-87.4	55	0	0	0	115.6
128	S	29.7	Very low	32.3	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	78%	0.776	S	S	*	*			trans	39.5	151.3	130.1	-67.4	0	0	0	0	123.8
129	P	42.1	Very low	32.5	Very low	117 Å²	117	138.8 Å²	138.8	76%	0.76	78%	0.777	S	S	*	*			trans	-100	-156	-161.9	46.6	-40.8	0	0	0	111.7
130	P	39.7	Very low	32.5	Very low	116 Å²	116	134.7 Å²	134.7	75%	0.753	78%	0.781	S	S	*	*			cis	-139	-176.9	-4.2	42.9	-25.1	0	0	0	116.1
131	S	33	Very low	32.8	Very low	123 Å²	123	128.5 Å²	128.5	86%	0.86	78%	0.776	S	S	*	*			trans	-169.6	148.6	147.2	44.5	0	0	0	0	115
132	G	33.1	Very low	32.7	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	79%	0.788	S	S	*	*			trans	84.7	127.8	165.2	0	0	0	0	0	117.1
133	R	32.4	Very low	33.1	Very low	218 Å²	218	127.9 Å²	127.9	82%	0.823	79%	0.786	S	S	*	*			cis	-147.9	149.5	-8.9	-152.5	175.8	-168.9	-171.8	1.6	109.2
134	S	35.5	Very low	33.2	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	79%	0.792	S	S	*	*			trans	-84.4	-172.4	-174.5	-138.3	0	0	0	0	111.4
135	P	41	Very low	33.2	Very low	108 Å²	108	127.1 Å²	127.1	70%	0.701	77%	0.769	S	S	*	*			cis	-146.3	-174.7	9.7	31.3	-4.5	0	0	0	119.3
136	V	32.3	Very low	33.4	Very low	135 Å²	135	121.8 Å²	121.8	82%	0.818	74%	0.741	S	S	*	*			trans	98.1	131.3	151.9	-175.4	0	0	0	0	118
137	N	29.2	Very low	33.5	Very low	141 Å²	141	117.9 Å²	117.9	75%	0.754	72%	0.72	S	S	*	*			cis	-170.4	169	-28.3	-164.3	11.4	0	0	0	110.2
138	V	32.3	Very low	33.2	Very low	109 Å²	109	115.8 Å²	115.8	66%	0.661	71%	0.71	S	S	*	*			trans	82.3	112.7	158.6	-169.9	0	0	0	0	119.8
139	S	33.2	Very low	33.3	Very low	119 Å²	119	114.2 Å²	114.2	83%	0.832	70%	0.704	S	S	*	*			trans	55.7	140.1	149.8	-58.4	0	0	0	0	122.6
140	G	33.1	Very low	32.6	Very low	79 Å²	79	113.4 Å²	113.4	81%	0.814	70%	0.701	S	S	*	*			cis	165.5	93.3	-9.9	0	0	0	0	0	118.4
141	G	33	Very low	32.1	Very low	78 Å²	78	120 Å²	120	80%	0.804	71%	0.711	S	S	*	*			trans	85.3	165.6	152.2	0	0	0	0	0	118.9
142	K	30.1	Very low	32	Very low	203 Å²	203	122.7 Å²	122.7	88%	0.883	71%	0.707	S	S	*	*			cis	-170.7	153.8	-15.3	-150	-178	-177.6	-176.6	0	112
143	V	35	Very low	31.8	Very low	128 Å²	128	130.5 Å²	130.5	78%	0.776	71%	0.711	S	S	*	*			trans	91.8	144.9	161	-168.9	0	0	0	0	118.7
144	Y	29.9	Very low	31.7	Very low	187 Å²	187	124.3 Å²	124.3	73%	0.733	70%	0.698	S	S	*	*			trans	-92.2	169.6	-171.3	-60	-115.7	0	0	0	114.6	L344	Y144-L344 HydrophobicContact CD1-CD2 4.04Å; Y144-L344 HydrophobicContact CE1-CD2 4.48Å
145	A	32.4	Very low	31.5	Very low	41 Å²	41	124.1 Å²	124.1	34%	0.339	69%	0.694	S	S	.	*				143.9	142.5	109.4	0	0	0	0	0	118.9	H345 H460	A145-H345 WeakPolarHBondContact CA-O 3.38Å; A145-H460 PolarHBondContact O-CD2 3.37Å
146	D	31.2	Very low	30.9	Very low	54 Å²	54	123.7 Å²	123.7	29%	0.289	68%	0.681	S	S	.	*			trans	76.9	148.6	152.9	-84.9	66.1	0	0	0	119.2	S343 L344 H460 N461	D146-S343 VanDerWaalsContact OD1-CA 3.23Å; D146-S343 WeakPolarHBondContact OD1-CA 3.42Å; D146-S343 VanDerWaalsContact OD2-CA 3.29Å; D146-S343 WeakPolarHBondContact OD2-CA 3.39Å; D146-S343 PolarHBondContact OD2-N 3.16Å; D146-L344 VanDerWaalsContact CA-O 3.25Å; D146-L344 WeakPolarHBondContact CA-O 3.27Å; D146-L344 PolarHBondContact N-O 3.44Å; D146-L344 WeakPolarHBondContact OD1-CA 3.48Å; D146-L344 PolarHBondContact OD1-N 3.47Å; D146-H460 CarbonylContact O-C 3.56Å; D146-H460 WeakPolarHBondContact O-CB 3.45Å; D146-N461 PolarHBondContact N-O 3.27Å; D146-N461 CarbonylContact O-C 3.34Å; D146-N461 PolarHBondContact O-N 2.88Å
147	N	32.2	Very low	30.9	Very low	69 Å²	69	121 Å²	121	37%	0.369	66%	0.66	S	S	.	*			cis	-164.7	87.2	-12	-156.9	-33.3	0	0	0	117.5	S343	N147-S343 PolarHBondContact ND2-N 3.23Å; N147-S343 PolarHBondContact ND2-O 3.08Å; N147-S343 PolarHBondContact OD1-O 3.33Å
148	N	27.9	Very low	31.1	Very low	104 Å²	104	120.6 Å²	120.6	56%	0.556	65%	0.653	S	S	*	*			trans	77	178.6	136.7	-150.6	-4.8	0	0	0	121
149	A	30.9	Very low	31.2	Very low	80 Å²	80	122.2 Å²	122.2	66%	0.661	65%	0.654	S	S	*	*			trans	79.4	118.6	174.6	0	0	0	0	0	118.7
150	S	27.9	Very low	31.1	Very low	99 Å²	99	122.5 Å²	122.5	69%	0.692	65%	0.65	S	S	*	*			cis	97.1	88.9	42.2	-173.8	0	0	0	0	114.1
151	W	29.3	Very low	31.2	Very low	254 Å²	254	123.3 Å²	123.3	96%	0.962	64%	0.644	S	S	*	*			trans	-104.6	99.5	171.6	-80.6	88.8	0	0	0	112.3
152	K	30.2	Very low	31.4	Very low	180 Å²	180	125.6 Å²	125.6	78%	0.783	64%	0.642	S	S	*	*			trans	-68.7	129.2	172.1	-73	176.6	177.2	171.9	0	110.6
153	R	28.5	Very low	31.5	Very low	245 Å²	245	124.5 Å²	124.5	93%	0.925	64%	0.64	S	S	*	*			trans	-99	116.2	169.8	-168.5	-163.8	-54.3	178.9	3.6	110.6
154	V	30.4	Very low	31.7	Very low	89 Å²	89	122.4 Å²	122.4	54%	0.539	63%	0.631	S	S	.	*			trans	-138.5	150.2	171.3	-161.9	0	0	0	0	105.8	Y393	V154-Y393 HydrophobicContact CB-CE1 4.12Å; V154-Y393 WeakPolarHBondContact CB-OH 3.39Å; V154-Y393 HydrophobicContact CG1-CD1 4.22Å; V154-Y393 HydrophobicContact CG1-CE1 3.53Å; V154-Y393 HydrophobicContact CG1-CE2 4.26Å; V154-Y393 PolarHBondContact O-OH 3.41Å
155	P	30.6	Very low	32	Very low	104 Å²	104	121.3 Å²	121.3	68%	0.675	63%	0.632	S	S	*	*			trans	-89.1	-112	-163.2	36.1	-39.4	0	0	0	120.7	G392 Y393	P155-G392 CarbonylContact C-O 3.06Å; P155-Y393 VanDerWaalsContact C-CE1 3.45Å; P155-Y393 HydrophobicContact CG-CE1 4.07Å; P155-Y393 VanDerWaalsContact N-CE1 3.31Å; P155-Y393 PolarHBondContact O-OH 2.98Å
156	F	29	Very low	32.1	Very low	99 Å²	99	123.1 Å²	123.1	43%	0.434	64%	0.643	S	S	.	*			trans	-149.6	129.3	-155.3	166.5	-114.4	0	0	0	116.4	Q158 N390 I391 G392	F156-Q158 HydrophobicContact CE2-CB 4.33Å; F156-N390 HydrophobicContact CD2-CB 3.43Å; F156-N390 VanDerWaalsContact CD2-CB 3.43Å; F156-N390 HydrophobicContact CE2-CB 3.46Å; F156-N390 VanDerWaalsContact CE2-CB 3.46Å; F156-N390 VanDerWaalsContact CE2-OD1 3.29Å; F156-N390 WeakPolarHBondContact CE2-OD1 3.33Å; F156-N390 HydrophobicContact CG-CB 4.21Å; F156-N390 HydrophobicContact CZ-CB 4.22Å; F156-N390 WeakPolarHBondContact CZ-ND2 3.31Å; F156-I391 WeakPolarHBondContact CD2-O 3.19Å; F156-I391 WeakPolarHBondContact CE2-O 3.41Å; F156-G392 CarbonylContact C-O 3.39Å; F156-G392 WeakPolarHBondContact CA-O 3.17Å; F156-G392 PolarHBondContact N-O 2.72Å; F156-G392 VanDerWaalsContact N-O 3.09Å
157	Q	31.7	Very low	32.3	Very low	79 Å²	79	127.6 Å²	127.6	37%	0.369	67%	0.666	S	S	.	*	B	Isolated β-bridge	trans	-170.9	131.4	160	-68	-158.2	-95	0	0	112	I391 G392 Y393 S395	Q157-I391 CarbonylContact C-O 3.57Å; Q157-I391 VanDerWaalsContact CA-O 3.3Å; Q157-I391 WeakPolarHBondContact CA-O 3.49Å; Q157-I391 PolarHBondContact N-O 3.41Å; Q157-I391 CarbonylContact O-C 3.43Å; Q157-G392 PolarHBondContact N-O 2.96Å; Q157-G392 CarbonylContact O-C 2.88Å; Q157-G392 VanDerWaalsContact O-C 3.24Å; Q157-G392 WeakPolarHBondContact O-CA 3.26Å; Q157-Y393 PolarHBondContact O-N 2.9Å; Q157-S395 PolarHBondContact NE2-O 3.18Å
158	Q	34.6	Very low	32.5	Very low	133 Å²	133	128.7 Å²	128.7	62%	0.621	68%	0.679	S	S	*	*			trans	-99.3	142.4	-171	163.7	-166.9	0	0	0	113.3	F156 I391	F156-Q158 HydrophobicContact CE2-CB 4.33Å; Q158-I391 PolarHBondContact N-O 3.42Å
159	Q	34.1	Very low	32.9	Very low	143 Å²	143	129.7 Å²	129.7	67%	0.668	69%	0.689	S	S	*	*			trans	-161.6	146.9	151.4	-121.1	159.8	-12.5	0	0	114.8	S395	Q159-S395 VanDerWaalsContact OE1-CB 3.26Å; Q159-S395 PolarHBondContact OE1-OG 3.49Å
160	T	31.4	Very low	33.1	Very low	124 Å²	124	130.4 Å²	130.4	76%	0.761	69%	0.689	S	S	*	*			trans	-98.1	-179.2	171.5	57.6	0	0	0	0	109.4
161	S	34.1	Very low	33.2	Very low	97 Å²	97	131.2 Å²	131.2	68%	0.678	69%	0.694	S	S	*	*			cis	-164.8	148	19.3	38.2	0	0	0	0	112.8
162	V	38.3	Very low	33.4	Very low	126 Å²	126	127.8 Å²	127.8	76%	0.764	69%	0.688	S	S	*	*			trans	42	122.1	131.6	-172.7	0	0	0	0	122
163	E	33	Very low	33.6	Very low	180 Å²	180	124.3 Å²	124.3	84%	0.841	69%	0.687	S	S	*	*				-173.9	127.9	120.1	-106.4	163.6	97.9	0	0	106.4
164	S	37.8	Very low	34	Very low	84 Å²	84	118.3 Å²	118.3	59%	0.587	68%	0.679	S	S	*	*			cis	65.3	135.6	47.3	72.1	0	0	0	0	113.1
165	E	36.5	Very low	34.2	Very low	163 Å²	163	121.9 Å²	121.9	76%	0.762	70%	0.695	S	S	*	*			cis	-147.4	178.4	13.6	-83.7	-62.6	85	0	0	110.6
166	S	34.8	Very low	34.5	Very low	80 Å²	80	122.6 Å²	122.6	56%	0.559	70%	0.7	S	S	*	*			cis	-170.2	-125.8	-43.7	66.5	0	0	0	0	110.4
167	L	35.5	Very low	34.8	Very low	147 Å²	147	122.2 Å²	122.2	77%	0.77	72%	0.715	S	S	*	*			trans	63.7	120.2	-176.9	-80.4	71.1	0	0	0	116.3
168	S	36.7	Very low	34.9	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	74%	0.738	S	S	*	*				75.4	147.6	66.4	94.7	0	0	0	0	113.1
169	T	35.8	Very low	34.9	Very low	125 Å²	125	126.3 Å²	126.3	77%	0.767	74%	0.741	S	S	*	*			cis	-175.2	157.6	6.9	10.1	0	0	0	0	106.8
170	S	34.1	Very low	34.8	Very low	95 Å²	95	127 Å²	127	66%	0.664	75%	0.75	S	S	*	*			cis	179.9	169.9	-13.3	46.5	0	0	0	0	110.2
171	C	30.2	Very low	34.8	Very low	116 Å²	116	124.3 Å²	124.3	78%	0.784	75%	0.747	S	S	*	*			trans	72.7	162.7	169.8	-52.9	0	0	0	0	116.1
172	Q	34.5	Very low	34.7	Very low	182 Å²	182	126.3 Å²	126.3	85%	0.85	75%	0.75	S	S	*	*			cis	-155	143.3	16.4	-165	154.9	-13.4	0	0	115.7
173	S	33.8	Very low	34.5	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	75%	0.753	S	S	*	*			trans	56.3	126.7	156.8	-152.3	0	0	0	0	122.9
174	P	37.8	Very low	34.5	Very low	119 Å²	119	127.7 Å²	127.7	77%	0.773	75%	0.746	S	S	*	*			trans	-103.1	-177.9	167.2	41.3	-34.7	0	0	0	113.4
175	N	34.5	Very low	34.6	Very low	164 Å²	164	127 Å²	127	88%	0.877	73%	0.733	S	S	*	*			trans	-154.7	139	153.8	-136.3	-7.6	0	0	0	110.8
176	P	36.5	Very low	34.7	Very low	118 Å²	118	123 Å²	123	77%	0.766	72%	0.717	S	S	*	*			trans	-113.4	163.2	-163.9	40.8	-33.6	0	0	0	116.1
177	A	36	Very low	35.1	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	71%	0.709	S	S	*	*			trans	-154.9	123.1	161.3	0	0	0	0	0	114.4
178	L	33.8	Very low	35.5	Very low	162 Å²	162	120 Å²	120	85%	0.848	69%	0.688	S	S	*	*			trans	70.9	117.7	147.4	-69.8	166.2	0	0	0	122.6
179	I	34.5	Very low	35.8	Very low	136 Å²	136	120.4 Å²	120.4	70%	0.697	68%	0.682	S	S	*	*			trans	94	89.9	144.4	-56.7	158.4	0	0	0	118.9
180	N	31.6	Very low	36.1	Very low	159 Å²	159	118.7 Å²	118.7	85%	0.85	67%	0.668	S	S	*	*			trans	54.4	121.7	135	-50	-2.1	0	0	0	122.3
181	G	32	Very low	37.1	Very low	67 Å²	67	116.7 Å²	116.7	69%	0.691	65%	0.652	S	S	*	*			trans	151.7	134.2	154.5	0	0	0	0	0	116.2
182	D	31.4	Very low	37.8	Very low	139 Å²	139	113.3 Å²	113.3	74%	0.743	64%	0.636	S	S	*	*			trans	-149.6	156.8	-162.3	-64.6	-96.3	0	0	0	111.2
183	Q	33.3	Very low	38.1	Very low	178 Å²	178	110.6 Å²	110.6	83%	0.832	62%	0.623	S	S	*	*			cis	-145.6	-124.6	-4.9	-123.9	167.8	63.5	0	0	112.7
184	F	34.3	Very low	38.8	Very low	157 Å²	157	108.7 Å²	108.7	69%	0.689	61%	0.607	S	S	*	*			trans	-154.6	148.4	-162.3	-157.8	-95.3	0	0	0	118.6	C451	F184-C451 CarbonylContact C-O 3.6Å; F184-C451 PolarHBondContact O-N 2.94Å
185	E	38.8	Very low	39.3	Very low	69 Å²	69	107.8 Å²	107.8	32%	0.322	60%	0.599	S	S	.	*			trans	0.9	139.6	-176.6	-68.3	-171.6	160.1	0	0	122.3	R187 H450 C451	E185-R187 IonicContact OE2-CZ 3.69Å; E185-R187 IonicContact OE2-NE 3.59Å; E185-R187 IonicContact OE2-NH2 3.76Å; E185-R187 PolarHBondContact OE2-NH2 2.81Å; E185-H450 CarbonylContact O-C 3.17Å; E185-H450 WeakPolarHBondContact O-CA 3.3Å; E185-H450 WeakPolarHBondContact O-CB 3.41Å; E185-H450 PolarHBondContact O-ND1 2.81Å; E185-C451 CarbonylContact C-O 3.6Å; E185-C451 WeakPolarHBondContact CA-O 3.35Å; E185-C451 PolarHBondContact N-O 3.15Å; E185-C451 PolarHBondContact O-N 3.49Å
186	N	39.8	Very low	39.5	Very low	78 Å²	78	106.2 Å²	106.2	42%	0.417	59%	0.586	S	S	.	*			trans	-113.9	142.9	164.9	-153	-18	0	0	0	112.2	H450 C451 H452	N186-H450 HydrophobicContact CB-CB 4.19Å; N186-H450 WeakPolarHBondContact OD1-CB 3.33Å; N186-C451 VanDerWaalsContact N-C 3.27Å; N186-C451 PolarHBondContact N-O 3.42Å; N186-H452 HydrophobicContact CB-CB 3.58Å; N186-H452 PolarHBondContact O-CD2 3.36Å
187	R	42.4	Very low	39.6	Very low	104 Å²	104	106.1 Å²	106.1	39%	0.392	58%	0.579	S	S	.	*			trans	-135.2	165.8	179.5	-60.3	-177	-175.4	178.2	4.7	110.9	E185 V194	E185-R187 IonicContact OE2-CZ 3.69Å; E185-R187 IonicContact OE2-NE 3.59Å; E185-R187 IonicContact OE2-NH2 3.76Å; E185-R187 PolarHBondContact OE2-NH2 2.81Å; R187-V194 HydrophobicContact CG-CG2 4.12Å
188	D	44.5	Very low	39.4	Very low	62 Å²	62	108 Å²	108	33%	0.332	57%	0.572	S	S	.	*			trans	-92.7	138.4	172.8	-144.5	-38.8	0	0	0	112.1	L190 G192 V195	D188-L190 PolarHBondContact O-N 3.46Å; D188-G192 PolarHBondContact O-N 3.44Å; D188-V195 HydrophobicContact CB-CG2 4.42Å
189	L	42.8	Very low	39.5	Very low	101 Å²	101	109.8 Å²	109.8	53%	0.529	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.4	9	-148.8	-79.1	171.9	0	0	0	116.1
190	L	41.6	Very low	39.5	Very low	88 Å²	88	108.2 Å²	108.2	46%	0.461	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.1	-8.1	169.6	-96.8	89.6	0	0	0	115.6	D188 E384 D385	D188-L190 PolarHBondContact O-N 3.46Å; L190-E384 HydrophobicContact CD1-CG 4.22Å; L190-E384 HydrophobicContact CD2-CG 4.01Å; L190-D385 HydrophobicContact CB-CB 4.11Å; L190-D385 HydrophobicContact CD2-CB 4.08Å
191	T	54.3	Low	39.3	Very low	54 Å²	54	107.3 Å²	107.3	33%	0.331	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-17.9	174.7	61.6	0	0	0	0	113.7	Q193	T191-Q193 PolarHBondContact O-N 3.06Å
192	G	45.8	Very low	39.4	Very low	44 Å²	44	107.4 Å²	107.4	45%	0.454	54%	0.54	S	S	.	.			trans	67.6	7.5	-176.8	0	0	0	0	0	114.3	D188	D188-G192 PolarHBondContact O-N 3.44Å
193	Q	40.6	Very low	39.8	Very low	126 Å²	126	103.6 Å²	103.6	59%	0.589	52%	0.524	S	S	*	.			trans	-89.1	146.2	178.2	-65.8	-168	-109.1	0	0	111.6	T191	T191-Q193 PolarHBondContact O-N 3.06Å
194	V	48.9	Very low	39.9	Very low	67 Å²	67	98 Å²	98	41%	0.406	50%	0.504	S	S	.	.			trans	-75	126.2	166.9	175.3	0	0	0	0	108.7	R187	R187-V194 HydrophobicContact CG-CG2 4.12Å
195	V	47.5	Very low	39.9	Very low	99 Å²	99	100 Å²	100	60%	0.6	51%	0.513	S	S	*	.			trans	-102.7	92.4	-177.2	-177.9	0	0	0	0	110.2	D188 N197	D188-V195 HydrophobicContact CB-CG2 4.42Å; V195-N197 PolarHBondContact O-N 3.38Å
196	H	40.1	Very low	39.9	Very low	132 Å²	132	106.4 Å²	106.4	61%	0.611	53%	0.534	S	S	*	.			trans	-80.5	103.7	174.5	-132.3	-103.5	0	0	0	110.6	E198	H196-E198 IonicContact ND1-OE1 3.96Å
197	N	36.9	Very low	39.9	Very low	115 Å²	115	109.3 Å²	109.3	62%	0.615	55%	0.549	S	S	*	.			trans	-101.3	87	178.8	170.7	44.6	0	0	0	110.7	V195 R199	V195-N197 PolarHBondContact O-N 3.38Å; N197-R199 PolarHBondContact O-N 3.2Å
198	E	33.4	Very low	39.7	Very low	130 Å²	130	113.5 Å²	113.5	61%	0.607	57%	0.573	S	S	*	*			trans	-69.1	91.8	-177.2	-64.2	-156.9	155.4	0	0	113.2	H196	H196-E198 IonicContact ND1-OE1 3.96Å
199	R	34.3	Very low	39.4	Very low	201 Å²	201	117.7 Å²	117.7	76%	0.758	60%	0.595	S	S	*	*			trans	-143.9	66.1	168.2	-63.3	-168.9	-164.8	166.8	6.4	112.6	N197	N197-R199 PolarHBondContact O-N 3.2Å
200	N	34.3	Very low	39.3	Very low	103 Å²	103	123.4 Å²	123.4	55%	0.551	61%	0.61	S	S	*	*			trans	-165	52.6	152.6	-99.9	-36.6	0	0	0	115.6	A202	N200-A202 PolarHBondContact O-N 2.93Å
201	W	28.2	Very low	39.5	Very low	140 Å²	140	127.2 Å²	127.2	53%	0.53	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.1	58.3	161.4	-75.9	129.6	0	0	0	112.1	N456 N457	W201-N456 HydrophobicContact CH2-CB 3.95Å; W201-N456 WeakPolarHBondContact CH2-OD1 3.38Å; W201-N456 HydrophobicContact CZ3-CB 3.09Å; W201-N456 WeakPolarHBondContact CZ3-OD1 3.24Å; W201-N457 HydrophobicContact CD2-CB 3.84Å; W201-N457 HydrophobicContact CE3-CB 3.18Å; W201-N457 HydrophobicContact CH2-CB 2.65Å; W201-N457 WeakPolarHBondContact CH2-ND2 3.5Å; W201-N457 WeakPolarHBondContact CH2-OD1 3.12Å; W201-N457 HydrophobicContact CZ2-CB 3.37Å; W201-N457 WeakPolarHBondContact CZ2-ND2 3.2Å; W201-N457 WeakPolarHBondContact CZ2-OD1 3.47Å; W201-N457 HydrophobicContact CZ3-CB 2.52Å; W201-N457 WeakPolarHBondContact CZ3-ND2 3.31Å; W201-N457 WeakPolarHBondContact CZ3-OD1 3.27Å; W201-N457 PolarHBondContact NE1-ND2 3.48Å; W201-N457 PolarHBondContact NE1-OD1 2.82Å
202	A	35	Very low	38.9	Very low	69 Å²	69	135.7 Å²	135.7	57%	0.57	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.4	-12.4	-174.3	0	0	0	0	0	116.8	N200	N200-A202 PolarHBondContact O-N 2.93Å
203	S	38	Very low	38.6	Very low	59 Å²	59	137.3 Å²	137.3	41%	0.413	67%	0.672	S	S	.	*	S	Bend	trans	-113.4	-39.5	-167.8	49.5	0	0	0	0	116.1	F205	S203-F205 PolarHBondContact O-N 3.23Å
204	S	35.8	Very low	38.6	Very low	59 Å²	59	142.4 Å²	142.4	41%	0.413	69%	0.686	S	S	.	*	S	Bend	trans	-69.7	-27.5	-172.6	-68.6	0	0	0	0	115.3	R206 N456	S204-R206 PolarHBondContact O-N 3.02Å; S204-N456 PolarHBondContact OG-ND2 2.94Å
205	F	34.4	Very low	38.3	Very low	201 Å²	201	146.4 Å²	146.4	88%	0.882	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	37.5	-175.1	-135.9	-82.4	0	0	0	114.2	S203	S203-F205 PolarHBondContact O-N 3.23Å
206	R	38.9	Very low	38.2	Very low	202 Å²	202	149.8 Å²	149.8	76%	0.762	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.6	4.5	-176.7	-80.6	-164.2	-178.3	126.1	11.8	116.4	S204	S204-R206 PolarHBondContact O-N 3.02Å
207	I	40.6	Very low	38.7	Very low	139 Å²	139	147.3 Å²	147.3	71%	0.713	72%	0.716	S	S	*	*	S	Bend	trans	-108.3	-26.2	-175.2	-64.7	-178.5	0	0	0	113.3
208	Q	38.7	Very low	39.5	Very low	193 Å²	193	147.9 Å²	147.9	90%	0.902	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-17.1	-175.3	-82	177.8	-30.3	0	0	116.5	R210	Q208-R210 PolarHBondContact O-N 2.87Å
209	D	37	Very low	40.8	Very low	150 Å²	150	148.8 Å²	148.8	80%	0.802	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-5.5	176.6	-91.9	-36	0	0	0	114.5	I211	D209-I211 VanDerWaalsContact C-N 3.32Å; D209-I211 PolarHBondContact O-N 3.5Å
210	R	41.3	Very low	42	Very low	220 Å²	220	142.5 Å²	142.5	83%	0.83	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	70.9	175.9	-77.1	-170.5	175	-176.4	1.2	112.5	Q208	Q208-R210 PolarHBondContact O-N 2.87Å
211	I	46.2	Very low	43.1	Very low	168 Å²	168	142.3 Å²	142.3	86%	0.862	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.2	-21.5	154.8	-111.6	150.5	0	0	0	116.1	D209	D209-I211 VanDerWaalsContact C-N 3.32Å; D209-I211 PolarHBondContact O-N 3.5Å
212	R	41.6	Very low	44.9	Very low	232 Å²	232	141 Å²	141	88%	0.875	71%	0.71	S	S	*	*	S	Bend	trans	-132.7	105.5	-169.5	-173.6	170.8	-74.5	-170.5	-2.5	114.6
213	G	38.5	Very low	46.4	Very low	79 Å²	79	142.7 Å²	142.7	81%	0.814	71%	0.706	S	S	*	*			trans	98.1	109.7	164.6	0	0	0	0	0	115.1
214	R	40.5	Very low	47.4	Very low	233 Å²	233	144.8 Å²	144.8	88%	0.879	71%	0.713	S	S	*	*			trans	-99.1	157.1	166.5	-59.3	-179.9	-165.4	140.3	5	109.7
215	N	42.2	Very low	48.8	Very low	151 Å²	151	151.6 Å²	151.6	81%	0.807	73%	0.729	S	S	*	*	S	Bend	trans	78.8	102.8	173.9	-45.9	-52.8	0	0	0	115.8
216	L	46.3	Very low	50.3	Low	169 Å²	169	148.6 Å²	148.6	89%	0.885	71%	0.712	S	S	*	*	S	Bend	trans	136.3	89	155	-95.1	64.7	0	0	0	110.9
217	S	50.5	Low	51.5	Low	80 Å²	80	142.2 Å²	142.2	56%	0.559	69%	0.693	S	S	*	*			trans	-176.3	-15.9	158.1	31.3	0	0	0	0	118.5	H219 S220	S217-H219 PolarHBondContact O-N 3.49Å; S217-S220 PolarHBondContact O-N 2.97Å; S217-S220 PolarHBondContact O-OG 3.31Å
218	D	54.9	Low	52.5	Low	128 Å²	128	140.9 Å²	140.9	68%	0.684	68%	0.684	S	S	*	*	H	α-helix	trans	-47	-31.7	-164.8	-64.3	-60	0	0	0	117	S220 I221	D218-S220 VanDerWaalsContact C-N 3.28Å; D218-S220 PolarHBondContact O-N 3.32Å; D218-I221 PolarHBondContact O-N 2.94Å
219	H	58.8	Low	53.6	Low	148 Å²	148	138.2 Å²	138.2	69%	0.685	67%	0.671	S	S	*	*	H	α-helix	trans	-66.8	-20.5	178.8	-155.4	-61.3	0	0	0	114.3	S217	S217-H219 PolarHBondContact O-N 3.49Å
220	S	59.8	Low	54.8	Low	70 Å²	70	137.1 Å²	137.1	49%	0.49	66%	0.659	S	S	.	*	H	α-helix	trans	-76	-39.1	177.1	68	0	0	0	0	112.3	S217 D218 I222 Q223 N224	S217-S220 PolarHBondContact O-N 2.97Å; S217-S220 PolarHBondContact O-OG 3.31Å; D218-S220 VanDerWaalsContact C-N 3.28Å; D218-S220 PolarHBondContact O-N 3.32Å; S220-I222 VanDerWaalsContact C-N 3.33Å; S220-I222 PolarHBondContact O-N 2.89Å; S220-Q223 WeakPolarHBondContact O-CB 3.48Å; S220-Q223 PolarHBondContact O-N 3.39Å; S220-Q223 VanDerWaalsContact O-N 3.08Å; S220-N224 PolarHBondContact O-N 3.24Å
221	I	59.1	Low	55.6	Low	99 Å²	99	131.5 Å²	131.5	51%	0.508	64%	0.642	S	S	.	*	H	α-helix	trans	-64.1	-39.3	-175	-56.7	176.5	0	0	0	111	D218 Q223	D218-I221 PolarHBondContact O-N 2.94Å; I221-Q223 VanDerWaalsContact C-N 3.28Å; I221-Q223 PolarHBondContact O-N 3.33Å
222	I	65.5	Low	56.2	Low	112 Å²	112	130.1 Å²	130.1	57%	0.574	63%	0.632	S	S	*	*	H	α-helix	trans	-73.3	-21.6	178.7	-57	175.8	0	0	0	111.6	S220 R226	S220-I222 VanDerWaalsContact C-N 3.33Å; S220-I222 PolarHBondContact O-N 2.89Å; I222-R226 PolarHBondContact O-NE 2.95Å; I222-R226 PolarHBondContact O-NH2 3.3Å
223	Q	66.2	Low	56.9	Low	104 Å²	104	126.4 Å²	126.4	49%	0.486	62%	0.623	S	S	.	*	H	α-helix	trans	-80.5	-51.7	174.6	-162.9	149.7	-52.6	0	0	110.7	S220 I221 R225 R226	S220-Q223 WeakPolarHBondContact O-CB 3.48Å; S220-Q223 PolarHBondContact O-N 3.39Å; S220-Q223 VanDerWaalsContact O-N 3.08Å; I221-Q223 VanDerWaalsContact C-N 3.28Å; I221-Q223 PolarHBondContact O-N 3.33Å; Q223-R225 VanDerWaalsContact C-N 3.3Å; Q223-R225 PolarHBondContact O-N 2.82Å; Q223-R225 VanDerWaalsContact O-N 3.17Å; Q223-R226 WeakPolarHBondContact O-CB 3.32Å; Q223-R226 PolarHBondContact O-N 3.43Å
224	N	57.8	Low	57.7	Low	103 Å²	103	126.7 Å²	126.7	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-56.2	-39.2	-174.7	-157	12.6	0	0	0	113.5	S220 R226 D227 H228	S220-N224 PolarHBondContact O-N 3.24Å; N224-R226 VanDerWaalsContact C-N 3.27Å; N224-R226 PolarHBondContact O-N 2.92Å; N224-D227 PolarHBondContact O-N 3.11Å; N224-H228 PolarHBondContact O-CD2 2.9Å; N224-H228 PolarHBondContact O-N 3.31Å
225	R	65.7	Low	58.3	Low	202 Å²	202	120.4 Å²	120.4	76%	0.762	59%	0.585	S	S	*	*	H	α-helix	trans	-59.2	-31	174.3	-79.7	-164.4	-179.4	-157.9	3	114.5	Q223	Q223-R225 VanDerWaalsContact C-N 3.3Å; Q223-R225 PolarHBondContact O-N 2.82Å; Q223-R225 VanDerWaalsContact O-N 3.17Å
226	R	66.1	Low	59	Low	138 Å²	138	116.8 Å²	116.8	52%	0.521	57%	0.571	S	S	.	*	H	α-helix	trans	-79.9	-19.1	-176.2	-77	179.7	-77.5	157.6	-1.9	113.1	I222 Q223 N224	I222-R226 PolarHBondContact O-NE 2.95Å; I222-R226 PolarHBondContact O-NH2 3.3Å; Q223-R226 WeakPolarHBondContact O-CB 3.32Å; Q223-R226 PolarHBondContact O-N 3.43Å; N224-R226 VanDerWaalsContact C-N 3.27Å; N224-R226 PolarHBondContact O-N 2.92Å
227	D	64.2	Low	59.4	Low	69 Å²	69	112.8 Å²	112.8	37%	0.369	56%	0.557	S	S	.	*	H	α-helix	trans	-93.7	-35.3	-179	-62.9	-46.7	0	0	0	112	N224 Q229 K230 Q231	N224-D227 PolarHBondContact O-N 3.11Å; D227-Q229 VanDerWaalsContact C-N 3.31Å; D227-Q229 PolarHBondContact O-N 2.77Å; D227-K230 WeakPolarHBondContact O-CB 3.44Å; D227-K230 PolarHBondContact O-N 2.99Å; D227-K230 VanDerWaalsContact O-N 3.1Å; D227-K230 IonicContact OD1-NZ 3.58Å; D227-K230 PolarHBondContact OD1-NZ 3.31Å; D227-Q231 PolarHBondContact O-N 3.39Å
228	H	61.7	Low	59.5	Low	111 Å²	111	117 Å²	117	51%	0.514	56%	0.561	S	S	.	*	H	α-helix	trans	-51.9	-46.8	167.3	-82.4	-71.1	0	0	0	112.6	N224 K230 Q231	N224-H228 PolarHBondContact O-CD2 2.9Å; N224-H228 PolarHBondContact O-N 3.31Å; H228-K230 PolarHBondContact O-N 3.5Å; H228-K230 VanDerWaalsContact O-N 3.13Å; H228-Q231 PolarHBondContact O-N 2.91Å; H228-Q231 VanDerWaalsContact O-N 3.12Å
229	Q	62	Low	59.2	Low	137 Å²	137	117.1 Å²	117.1	64%	0.64	56%	0.555	S	S	*	*	H	α-helix	trans	-70	-10.5	-176.9	-143.3	-172.9	36.2	0	0	114.1	D227	D227-Q229 VanDerWaalsContact C-N 3.31Å; D227-Q229 PolarHBondContact O-N 2.77Å
230	K	62.7	Low	59.1	Low	126 Å²	126	115 Å²	115	55%	0.548	55%	0.553	S	S	.	*	H	α-helix	trans	-85.9	-38.8	170.1	-67.4	172.6	-173.7	158.3	0	112	D227 H228 E232 K233 Q234	D227-K230 WeakPolarHBondContact O-CB 3.44Å; D227-K230 PolarHBondContact O-N 2.99Å; D227-K230 VanDerWaalsContact O-N 3.1Å; D227-K230 IonicContact OD1-NZ 3.58Å; D227-K230 PolarHBondContact OD1-NZ 3.31Å; H228-K230 PolarHBondContact O-N 3.5Å; H228-K230 VanDerWaalsContact O-N 3.13Å; K230-E232 PolarHBondContact O-N 2.94Å; K230-K233 PolarHBondContact O-N 3.06Å; K230-Q234 PolarHBondContact O-N 2.96Å
231	Q	57	Low	58.7	Low	102 Å²	102	114.9 Å²	114.9	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-60.6	-45.7	-177.4	-74.2	-176	-21.1	0	0	112.2	D227 H228 K233 Q234 M235	D227-Q231 PolarHBondContact O-N 3.39Å; H228-Q231 PolarHBondContact O-N 2.91Å; H228-Q231 VanDerWaalsContact O-N 3.12Å; Q231-K233 VanDerWaalsContact C-N 3.3Å; Q231-K233 PolarHBondContact O-N 3.21Å; Q231-Q234 PolarHBondContact O-N 3.34Å; Q231-M235 WeakPolarHBondContact O-CB 3.31Å; Q231-M235 PolarHBondContact O-N 3.25Å
232	E	59.5	Low	58.3	Low	139 Å²	139	115.1 Å²	115.1	65%	0.65	55%	0.553	S	S	*	*	H	α-helix	trans	-56.8	-42.8	-178.7	-64.2	-173.4	118.8	0	0	112.6	K230 M235 S236	K230-E232 PolarHBondContact O-N 2.94Å; E232-M235 WeakPolarHBondContact O-CB 3.15Å; E232-M235 PolarHBondContact O-N 3.49Å; E232-S236 PolarHBondContact O-N 3.08Å; E232-S236 VanDerWaalsContact O-N 3.15Å
233	K	56	Low	57.8	Low	155 Å²	155	113 Å²	113	67%	0.674	55%	0.547	S	S	*	.	H	α-helix	trans	-69.1	-40.4	-179.2	-69.1	-176.1	177.4	179.1	0	112.1	K230 Q231 M235 S236	K230-K233 PolarHBondContact O-N 3.06Å; Q231-K233 VanDerWaalsContact C-N 3.3Å; Q231-K233 PolarHBondContact O-N 3.21Å; K233-M235 VanDerWaalsContact C-N 3.3Å; K233-M235 PolarHBondContact O-N 3.31Å; K233-S236 PolarHBondContact O-N 3.23Å
234	Q	55.1	Low	57.2	Low	84 Å²	84	110.2 Å²	110.2	39%	0.393	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-37.9	170.6	-78.1	-168.1	-7.7	0	0	112.1	K230 Q231 S236 R238 E354	K230-Q234 PolarHBondContact O-N 2.96Å; Q231-Q234 PolarHBondContact O-N 3.34Å; Q234-S236 VanDerWaalsContact C-N 3.33Å; Q234-S236 PolarHBondContact O-N 3.41Å; Q234-R238 WeakPolarHBondContact O-CB 3.41Å; Q234-R238 WeakPolarHBondContact O-CG 3.32Å; Q234-R238 PolarHBondContact O-N 3.04Å; Q234-R238 VanDerWaalsContact O-N 3.09Å; Q234-E354 PolarHBondContact NE2-OE1 3.41Å
235	M	53.8	Low	57	Low	102 Å²	102	110.3 Å²	110.3	50%	0.502	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-35.3	-178.5	-158.5	-171.6	-66.8	0	0	112.4	Q231 E232 K233 K239	Q231-M235 WeakPolarHBondContact O-CB 3.31Å; Q231-M235 PolarHBondContact O-N 3.25Å; E232-M235 WeakPolarHBondContact O-CB 3.15Å; E232-M235 PolarHBondContact O-N 3.49Å; K233-M235 VanDerWaalsContact C-N 3.3Å; K233-M235 PolarHBondContact O-N 3.31Å; M235-K239 WeakPolarHBondContact O-CG 2.97Å; M235-K239 PolarHBondContact O-N 2.83Å; M235-K239 VanDerWaalsContact O-N 3.14Å
236	S	55.8	Low	56.7	Low	74 Å²	74	103.9 Å²	103.9	52%	0.517	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-51.6	177.4	-165.8	0	0	0	0	112.8	E232 K233 Q234 R238 K239 V240	E232-S236 PolarHBondContact O-N 3.08Å; E232-S236 VanDerWaalsContact O-N 3.15Å; K233-S236 PolarHBondContact O-N 3.23Å; Q234-S236 VanDerWaalsContact C-N 3.33Å; Q234-S236 PolarHBondContact O-N 3.41Å; S236-R238 VanDerWaalsContact C-N 3.28Å; S236-R238 PolarHBondContact O-N 3.24Å; S236-K239 WeakPolarHBondContact O-CB 3.37Å; S236-K239 PolarHBondContact O-N 3.36Å; S236-V240 PolarHBondContact O-N 2.97Å
237	S	55.1	Low	56.7	Low	86 Å²	86	100.3 Å²	100.3	60%	0.601	51%	0.509	S	S	*	.	H	α-helix	trans	-63.7	-33	178.2	-60	0	0	0	0	112.7	V240 C241	S237-V240 PolarHBondContact O-N 2.93Å; S237-C241 PolarHBondContact O-N 2.85Å; S237-C241 VanDerWaalsContact O-N 3.14Å
238	R	52	Low	56.8	Low	167 Å²	167	104.8 Å²	104.8	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-59.8	-45.4	169.8	-79.3	178.3	172.2	-171.6	-1.4	111.6	Q234 S236 V240 C241 L242	Q234-R238 WeakPolarHBondContact O-CB 3.41Å; Q234-R238 WeakPolarHBondContact O-CG 3.32Å; Q234-R238 PolarHBondContact O-N 3.04Å; Q234-R238 VanDerWaalsContact O-N 3.09Å; S236-R238 VanDerWaalsContact C-N 3.28Å; S236-R238 PolarHBondContact O-N 3.24Å; R238-V240 PolarHBondContact O-N 3.38Å; R238-C241 PolarHBondContact O-N 3.13Å; R238-L242 VanDerWaalsContact O-CB 3.29Å; R238-L242 WeakPolarHBondContact O-CB 3.35Å; R238-L242 WeakPolarHBondContact O-CD1 3.2Å; R238-L242 WeakPolarHBondContact O-CG 3.42Å; R238-L242 PolarHBondContact O-N 3.17Å
239	K	49.7	Very low	57	Low	132 Å²	132	105.4 Å²	105.4	57%	0.574	52%	0.522	S	S	*	.	H	α-helix	trans	-59.5	-42.5	178.2	-73.7	167.5	-179.2	176.8	0	112.5	M235 S236 L242 S243	M235-K239 WeakPolarHBondContact O-CG 2.97Å; M235-K239 PolarHBondContact O-N 2.83Å; M235-K239 VanDerWaalsContact O-N 3.14Å; S236-K239 WeakPolarHBondContact O-CB 3.37Å; S236-K239 PolarHBondContact O-N 3.36Å; K239-L242 PolarHBondContact O-N 3.33Å; K239-S243 WeakPolarHBondContact O-CB 3.1Å; K239-S243 PolarHBondContact O-N 2.86Å
240	V	56.5	Low	57.3	Low	103 Å²	103	104 Å²	104	62%	0.624	52%	0.516	S	S	*	.	H	α-helix	trans	-66.3	-46.3	177.9	-179.5	0	0	0	0	111.8	S236 S237 R238 L242 S243 S244	S236-V240 PolarHBondContact O-N 2.97Å; S237-V240 PolarHBondContact O-N 2.93Å; R238-V240 PolarHBondContact O-N 3.38Å; V240-L242 PolarHBondContact O-N 3.41Å; V240-S243 WeakPolarHBondContact O-CB 3.44Å; V240-S243 PolarHBondContact O-N 3.46Å; V240-S244 PolarHBondContact O-N 3.47Å
241	C	51.7	Low	57.9	Low	67 Å²	67	101.7 Å²	101.7	45%	0.453	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-39.8	177.5	-173.2	0	0	0	0	111.9	S237 R238 S244 R245	S237-C241 PolarHBondContact O-N 2.85Å; S237-C241 VanDerWaalsContact O-N 3.14Å; R238-C241 PolarHBondContact O-N 3.13Å; C241-S244 PolarHBondContact O-N 3.03Å; C241-S244 PolarHBondContact O-OG 2.91Å; C241-R245 PolarHBondContact O-N 3.04Å; C241-R245 VanDerWaalsContact O-N 3.12Å
242	L	51.3	Low	58.7	Low	105 Å²	105	99.4 Å²	99.4	55%	0.55	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-42.7	173.6	-74	166.9	0	0	0	112	R238 K239 V240 S244 R245 T246	R238-L242 VanDerWaalsContact O-CB 3.29Å; R238-L242 WeakPolarHBondContact O-CB 3.35Å; R238-L242 WeakPolarHBondContact O-CD1 3.2Å; R238-L242 WeakPolarHBondContact O-CG 3.42Å; R238-L242 PolarHBondContact O-N 3.17Å; K239-L242 PolarHBondContact O-N 3.33Å; V240-L242 PolarHBondContact O-N 3.41Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.41Å; L242-R245 CarbonylContact O-C 3.52Å; L242-R245 WeakPolarHBondContact O-CA 3.22Å; L242-R245 WeakPolarHBondContact O-CB 3.43Å; L242-R245 PolarHBondContact O-N 3.35Å; L242-T246 PolarHBondContact O-N 2.89Å
243	S	53.7	Low	59.3	Low	66 Å²	66	98.7 Å²	98.7	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-59.2	-40.1	173.9	179.3	0	0	0	0	112.2	K239 V240 R245 T246 T247	K239-S243 WeakPolarHBondContact O-CB 3.1Å; K239-S243 PolarHBondContact O-N 2.86Å; V240-S243 WeakPolarHBondContact O-CB 3.44Å; V240-S243 PolarHBondContact O-N 3.46Å; S243-R245 PolarHBondContact O-N 3.35Å; S243-T246 PolarHBondContact O-N 2.99Å; S243-T246 PolarHBondContact O-OG1 3.15Å; S243-T246 VanDerWaalsContact O-OG1 3.1Å; S243-T247 WeakPolarHBondContact O-CB 3.28Å; S243-T247 WeakPolarHBondContact O-CG2 3.44Å; S243-T247 PolarHBondContact O-N 2.98Å; S243-T247 VanDerWaalsContact O-N 3.07Å; S243-T247 PolarHBondContact O-OG1 2.68Å
244	S	54.7	Low	60.3	Low	46 Å²	46	93.2 Å²	93.2	32%	0.322	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-25.9	172.8	84.5	0	0	0	0	113.5	V240 C241 L242 T247 R248	V240-S244 PolarHBondContact O-N 3.47Å; C241-S244 PolarHBondContact O-N 3.03Å; C241-S244 PolarHBondContact O-OG 2.91Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.41Å; S244-T247 PolarHBondContact O-OG1 2.7Å; S244-R248 WeakPolarHBondContact O-CB 3.36Å; S244-R248 VanDerWaalsContact O-CD 3.3Å; S244-R248 WeakPolarHBondContact O-CD 3.49Å; S244-R248 WeakPolarHBondContact O-CG 3.25Å; S244-R248 PolarHBondContact O-N 3.46Å
245	R	53.9	Low	61.5	Low	106 Å²	106	95.6 Å²	95.6	40%	0.4	48%	0.484	S	S	.	.	H	α-helix	trans	-86.4	-31.8	178.3	-74	178.1	167.7	-146.9	-9.1	112.7	C241 L242 S243 K249	C241-R245 PolarHBondContact O-N 3.04Å; C241-R245 VanDerWaalsContact O-N 3.12Å; L242-R245 CarbonylContact O-C 3.52Å; L242-R245 WeakPolarHBondContact O-CA 3.22Å; L242-R245 WeakPolarHBondContact O-CB 3.43Å; L242-R245 PolarHBondContact O-N 3.35Å; S243-R245 PolarHBondContact O-N 3.35Å; R245-K249 VanDerWaalsContact O-CG 3.32Å; R245-K249 WeakPolarHBondContact O-CG 3.14Å; R245-K249 PolarHBondContact O-N 3.19Å
246	T	59.1	Low	62.6	Low	67 Å²	67	93 Å²	93	41%	0.411	47%	0.47	S	S	.	.	H	α-helix	trans	-71.7	-51.9	172.9	54.9	0	0	0	0	110.8	L242 S243 R248 K249 E250	L242-T246 PolarHBondContact O-N 2.89Å; S243-T246 PolarHBondContact O-N 2.99Å; S243-T246 PolarHBondContact O-OG1 3.15Å; S243-T246 VanDerWaalsContact O-OG1 3.1Å; T246-R248 VanDerWaalsContact C-N 3.28Å; T246-R248 PolarHBondContact O-N 2.83Å; T246-K249 WeakPolarHBondContact O-CA 3.11Å; T246-K249 WeakPolarHBondContact O-CB 3.39Å; T246-K249 PolarHBondContact O-N 2.94Å; T246-E250 WeakPolarHBondContact O-CG 3.43Å; T246-E250 PolarHBondContact O-N 3.45Å
247	T	64.7	Low	63.7	Low	62 Å²	62	90 Å²	90	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-57.1	-38	178	51	0	0	0	0	112.8	S243 S244 T251	S243-T247 WeakPolarHBondContact O-CB 3.28Å; S243-T247 WeakPolarHBondContact O-CG2 3.44Å; S243-T247 PolarHBondContact O-N 2.98Å; S243-T247 VanDerWaalsContact O-N 3.07Å; S243-T247 PolarHBondContact O-OG1 2.68Å; S244-T247 PolarHBondContact O-OG1 2.7Å; T247-T251 VanDerWaalsContact O-CB 3.24Å; T247-T251 WeakPolarHBondContact O-CB 3.25Å; T247-T251 PolarHBondContact O-N 3.48Å; T247-T251 PolarHBondContact O-OG1 3.18Å
248	R	66.1	Low	65.1	Low	163 Å²	163	88.9 Å²	88.9	62%	0.615	43%	0.432	S	S	*	.	H	α-helix	trans	-65.7	-38.9	172.5	-79.2	176.2	-177.7	-169.2	2.1	113.5	S244 T246 L252	S244-R248 WeakPolarHBondContact O-CB 3.36Å; S244-R248 VanDerWaalsContact O-CD 3.3Å; S244-R248 WeakPolarHBondContact O-CD 3.49Å; S244-R248 WeakPolarHBondContact O-CG 3.25Å; S244-R248 PolarHBondContact O-N 3.46Å; T246-R248 VanDerWaalsContact C-N 3.28Å; T246-R248 PolarHBondContact O-N 2.83Å; R248-L252 WeakPolarHBondContact O-CB 3.35Å; R248-L252 VanDerWaalsContact O-CG 3.27Å; R248-L252 WeakPolarHBondContact O-CG 3.33Å; R248-L252 PolarHBondContact O-N 3.14Å
249	K	66	Low	66.5	Low	124 Å²	124	83.4 Å²	83.4	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-46.5	176.1	-76.2	174.9	177.8	-173	0	111.4	R245 T246 L252 Q253	R245-K249 VanDerWaalsContact O-CG 3.32Å; R245-K249 WeakPolarHBondContact O-CG 3.14Å; R245-K249 PolarHBondContact O-N 3.19Å; T246-K249 WeakPolarHBondContact O-CA 3.11Å; T246-K249 WeakPolarHBondContact O-CB 3.39Å; T246-K249 PolarHBondContact O-N 2.94Å; K249-L252 PolarHBondContact O-N 3.18Å; K249-Q253 WeakPolarHBondContact O-CG 3.13Å; K249-Q253 PolarHBondContact O-N 3.49Å
250	E	69.2	Low	68	Low	109 Å²	109	77.3 Å²	77.3	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-60	-46.4	176	-68.4	159.7	-176.7	0	0	111	T246 L252 Q253 V254	T246-E250 WeakPolarHBondContact O-CG 3.43Å; T246-E250 PolarHBondContact O-N 3.45Å; E250-L252 PolarHBondContact O-N 3.36Å; E250-Q253 PolarHBondContact O-N 2.95Å; E250-V254 WeakPolarHBondContact O-CG2 3.21Å; E250-V254 PolarHBondContact O-N 2.9Å
251	T	75.1	Confident	69.4	Low	77 Å²	77	72.5 Å²	72.5	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-46	175.5	-59.6	0	0	0	0	111.5	T247 Q253 V254 W255	T247-T251 VanDerWaalsContact O-CB 3.24Å; T247-T251 WeakPolarHBondContact O-CB 3.25Å; T247-T251 PolarHBondContact O-N 3.48Å; T247-T251 PolarHBondContact O-OG1 3.18Å; T251-Q253 PolarHBondContact O-N 2.64Å; T251-V254 PolarHBondContact O-N 3.26Å; T251-W255 VanDerWaalsContact O-CD1 3.3Å; T251-W255 PolarHBondContact O-N 2.84Å
252	L	73.8	Confident	71.1	Confident	53 Å²	53	72 Å²	72	28%	0.277	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-39.8	177.2	-77.2	169.4	0	0	0	112.1	L81 R248 K249 E250 W255 F256	L81-L252 HydrophobicContact CD1-CD2 4.45Å; R248-L252 WeakPolarHBondContact O-CB 3.35Å; R248-L252 VanDerWaalsContact O-CG 3.27Å; R248-L252 WeakPolarHBondContact O-CG 3.33Å; R248-L252 PolarHBondContact O-N 3.14Å; K249-L252 PolarHBondContact O-N 3.18Å; E250-L252 PolarHBondContact O-N 3.36Å; L252-W255 PolarHBondContact O-N 3.45Å; L252-F256 HydrophobicContact CB-CD2 4.4Å; L252-F256 HydrophobicContact CB-CE2 4.19Å; L252-F256 HydrophobicContact CD2-CE2 4.44Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 PolarHBondContact O-N 3.47Å
253	Q	71.5	Confident	72.6	Confident	125 Å²	125	67.4 Å²	67.4	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-62.9	-42.1	175.3	-75.3	175.1	-42.4	0	0	112.2	K249 E250 T251 F256 S257	K249-Q253 WeakPolarHBondContact O-CG 3.13Å; K249-Q253 PolarHBondContact O-N 3.49Å; E250-Q253 PolarHBondContact O-N 2.95Å; T251-Q253 PolarHBondContact O-N 2.64Å; Q253-F256 PolarHBondContact O-N 3.46Å; Q253-S257 PolarHBondContact O-N 3.31Å
254	V	78.5	Confident	74.1	Confident	40 Å²	40	64.3 Å²	64.3	24%	0.242	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-44.2	172.9	171.1	0	0	0	0	111	E250 T251 R258 V623	E250-V254 WeakPolarHBondContact O-CG2 3.21Å; E250-V254 PolarHBondContact O-N 2.9Å; T251-V254 PolarHBondContact O-N 3.26Å; V254-R258 WeakPolarHBondContact O-CB 3.4Å; V254-R258 VanDerWaalsContact O-CG 3.28Å; V254-R258 WeakPolarHBondContact O-CG 3.07Å; V254-R258 PolarHBondContact O-N 2.88Å; V254-V623 HydrophobicContact CG2-CG1 3.98Å
255	W	79.9	Confident	75.8	Confident	134 Å²	134	62.1 Å²	62.1	51%	0.508	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176	-88.2	94.8	0	0	0	113	T251 L252 R258 C259	T251-W255 VanDerWaalsContact O-CD1 3.3Å; T251-W255 PolarHBondContact O-N 2.84Å; L252-W255 PolarHBondContact O-N 3.45Å; W255-R258 PolarHBondContact O-N 3.48Å; W255-C259 PolarHBondContact O-N 2.92Å; W255-C259 PolarHBondContact O-SG 3.43Å
256	F	75.8	Confident	77.4	Confident	47 Å²	47	57.1 Å²	57.1	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-44	178.4	-75.9	-57.8	0	0	0	112.3	I78 L81 L252 Q253 C259 N260 V531 T535	I78-F256 HydrophobicContact CD1-CD1 4.07Å; I78-F256 HydrophobicContact CD1-CE1 3.61Å; I78-F256 HydrophobicContact CD1-CZ 3.92Å; I78-F256 HydrophobicContact CG1-CD1 4.47Å; I78-F256 HydrophobicContact CG1-CE1 3.59Å; I78-F256 HydrophobicContact CG1-CE2 4.2Å; I78-F256 HydrophobicContact CG1-CZ 3.43Å; I78-F256 VanDerWaalsContact CG1-CZ 3.43Å; L81-F256 HydrophobicContact CD1-CZ 3.92Å; L252-F256 HydrophobicContact CB-CD2 4.4Å; L252-F256 HydrophobicContact CB-CE2 4.19Å; L252-F256 HydrophobicContact CD2-CE2 4.44Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 PolarHBondContact O-N 3.47Å; Q253-F256 PolarHBondContact O-N 3.46Å; F256-C259 CarbonylContact O-C 3.56Å; F256-C259 WeakPolarHBondContact O-CB 3.06Å; F256-C259 PolarHBondContact O-N 3.08Å; F256-C259 VanDerWaalsContact O-N 3.15Å; F256-N260 PolarHBondContact O-N 3.13Å; F256-N260 PolarHBondContact O-OD1 2.83Å; F256-V531 HydrophobicContact CD1-CG1 4.35Å; F256-T535 HydrophobicContact CB-CG2 4.45Å
257	S	78.9	Confident	78.6	Confident	11 Å²	11	54.4 Å²	54.4	8%	0.077	26%	0.257	C	S	.	.	H	α-helix	trans	-70.1	-32.5	177.4	176.8	0	0	0	0	113	Q253 C259 N260 C261 E618 K629	Q253-S257 PolarHBondContact O-N 3.31Å; S257-C259 VanDerWaalsContact C-N 3.33Å; S257-C259 PolarHBondContact O-N 2.94Å; S257-N260 PolarHBondContact O-N 3.37Å; S257-C261 WeakPolarHBondContact O-CB 3.38Å; S257-C261 PolarHBondContact O-N 2.9Å; S257-C261 PolarHBondContact O-SG 2.99Å; S257-E618 PolarHBondContact OG-OE2 2.99Å; S257-K629 WeakPolarHBondContact OG-CE 3.13Å; S257-K629 PolarHBondContact OG-NZ 2.67Å
258	R	85.3	Confident	79.9	Confident	62 Å²	62	52.7 Å²	52.7	23%	0.234	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-42.3	167.3	-76.4	172.2	179.4	-170	-1.2	111.7	V254 W255 C261 F262 D625 F632	V254-R258 WeakPolarHBondContact O-CB 3.4Å; V254-R258 VanDerWaalsContact O-CG 3.28Å; V254-R258 WeakPolarHBondContact O-CG 3.07Å; V254-R258 PolarHBondContact O-N 2.88Å; W255-R258 PolarHBondContact O-N 3.48Å; R258-C261 PolarHBondContact O-N 2.86Å; R258-F262 PolarHBondContact O-N 3.36Å; R258-D625 IonicContact CZ-OD2 3.95Å; R258-D625 IonicContact NE-OD2 3.98Å; R258-D625 PolarHBondContact NE-OD2 3.13Å; R258-D625 IonicContact NH2-OD2 3.98Å; R258-D625 PolarHBondContact NH2-OD2 3.24Å; R258-F632 HydrophobicContact CB-CB 4.42Å; R258-F632 HydrophobicContact CB-CD1 3.79Å; R258-F632 HydrophobicContact CB-CD2 4.15Å; R258-F632 HydrophobicContact CB-CE1 4.05Å; R258-F632 HydrophobicContact CB-CE2 4.39Å; R258-F632 HydrophobicContact CB-CG 3.85Å; R258-F632 HydrophobicContact CB-CZ 4.35Å; R258-F632 HydrophobicContact CG-CD2 4.1Å; R258-F632 HydrophobicContact CG-CE2 4.32Å; R258-F632 HydrophobicContact CG-CG 4.26Å; R258-F632 WeakPolarHBondContact O-CB 2.98Å; R258-F632 WeakPolarHBondContact O-CD1 3.43Å
259	C	82.1	Confident	81	Confident	53 Å²	53	45 Å²	45	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-64.5	-39	174	-67.1	0	0	0	0	112.7	W255 F256 S257 F262 A263	W255-C259 PolarHBondContact O-N 2.92Å; W255-C259 PolarHBondContact O-SG 3.43Å; F256-C259 CarbonylContact O-C 3.56Å; F256-C259 WeakPolarHBondContact O-CB 3.06Å; F256-C259 PolarHBondContact O-N 3.08Å; F256-C259 VanDerWaalsContact O-N 3.15Å; S257-C259 VanDerWaalsContact C-N 3.33Å; S257-C259 PolarHBondContact O-N 2.94Å; C259-F262 PolarHBondContact O-N 3.43Å; C259-A263 WeakPolarHBondContact O-CB 3.45Å; C259-A263 PolarHBondContact O-N 3.36Å
260	N	80.2	Confident	81.9	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-41.9	174	-72.6	7.5	0	0	0	111.8	F256 S257 A263 A264 V531 E618	F256-N260 PolarHBondContact O-N 3.13Å; F256-N260 PolarHBondContact O-OD1 2.83Å; S257-N260 PolarHBondContact O-N 3.37Å; N260-A263 PolarHBondContact O-N 3.1Å; N260-A264 WeakPolarHBondContact O-CB 3.46Å; N260-A264 PolarHBondContact O-N 3.45Å; N260-V531 WeakPolarHBondContact OD1-CG1 3.35Å; N260-E618 HydrophobicContact CB-CG 3.95Å; N260-E618 WeakPolarHBondContact CB-OE1 3.27Å; N260-E618 PolarHBondContact ND2-OE1 3.29Å
261	C	86.8	Confident	82.8	Confident	1 Å²	1	34 Å²	34	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-40.5	175.7	-65.8	0	0	0	0	111.8	S257 R258 A264 G265 K629 F632 L633	S257-C261 WeakPolarHBondContact O-CB 3.38Å; S257-C261 PolarHBondContact O-N 2.9Å; S257-C261 PolarHBondContact O-SG 2.99Å; R258-C261 PolarHBondContact O-N 2.86Å; C261-A264 PolarHBondContact O-N 2.91Å; C261-G265 PolarHBondContact O-N 3.11Å; C261-K629 HydrophobicContact CB-CB 4.37Å; C261-K629 VanDerWaalsContact CB-O 3.25Å; C261-K629 WeakPolarHBondContact CB-O 3.34Å; C261-K629 VanDerWaalsContact SG-CB 3.52Å; C261-F632 HydrophobicContact CB-CB 4.41Å; C261-L633 HydrophobicContact CB-CB 4.43Å; C261-L633 VanDerWaalsContact O-CA 3.28Å; C261-L633 WeakPolarHBondContact O-CA 2.82Å
262	F	87.5	Confident	83.7	Confident	58 Å²	58	34.5 Å²	34.5	25%	0.254	16%	0.164	S	C	.	.	H	α-helix	trans	-60.6	-47.2	171.7	176.1	-89	0	0	0	111.8	R258 C259 A264 G265 V266 F632 L635 G636 V639	R258-F262 PolarHBondContact O-N 3.36Å; C259-F262 PolarHBondContact O-N 3.43Å; F262-A264 VanDerWaalsContact C-N 3.31Å; F262-A264 PolarHBondContact O-N 3.29Å; F262-G265 PolarHBondContact O-N 2.98Å; F262-G265 VanDerWaalsContact O-N 3.13Å; F262-V266 HydrophobicContact CD1-CG2 4.22Å; F262-V266 HydrophobicContact CE1-CG2 3.83Å; F262-V266 HydrophobicContact CZ-CG2 4.1Å; F262-V266 WeakPolarHBondContact O-CG2 3.46Å; F262-V266 PolarHBondContact O-N 3.33Å; F262-F632 VanDerWaalsContact CA-O 3.3Å; F262-F632 WeakPolarHBondContact CA-O 3.35Å; F262-F632 HydrophobicContact CB-CB 4.23Å; F262-F632 HydrophobicContact CB-CD1 4.13Å; F262-L635 HydrophobicContact CD2-CB 4.41Å; F262-L635 HydrophobicContact CD2-CD2 4.44Å; F262-L635 HydrophobicContact CD2-CG 4.3Å; F262-L635 HydrophobicContact CE2-CD2 4.47Å; F262-L635 HydrophobicContact CE2-CG 4.14Å; F262-G636 VanDerWaalsContact CD2-CA 3.45Å; F262-G636 VanDerWaalsContact CE2-CA 3.45Å; F262-V639 HydrophobicContact CE2-CG2 4.44Å
263	A	82.3	Confident	84.3	Confident	8 Å²	8	36.2 Å²	36.2	7%	0.066	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-42.9	174.3	0	0	0	0	0	111.4	C259 N260 G265 V266 F267	C259-A263 WeakPolarHBondContact O-CB 3.45Å; C259-A263 PolarHBondContact O-N 3.36Å; N260-A263 PolarHBondContact O-N 3.1Å; A263-G265 VanDerWaalsContact C-N 3.32Å; A263-G265 PolarHBondContact O-N 3.28Å; A263-V266 PolarHBondContact O-N 2.83Å; A263-F267 HydrophobicContact CB-CD2 4.39Å; A263-F267 HydrophobicContact CB-CE2 4.16Å; A263-F267 WeakPolarHBondContact O-CD2 3.34Å; A263-F267 WeakPolarHBondContact O-CG 3.35Å; A263-F267 PolarHBondContact O-N 3.16Å
264	A	85.2	Confident	84.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-36.2	175.5	0	0	0	0	0	113.2	N260 C261 F262 L268 L614 L615	N260-A264 WeakPolarHBondContact O-CB 3.46Å; N260-A264 PolarHBondContact O-N 3.45Å; C261-A264 PolarHBondContact O-N 2.91Å; F262-A264 VanDerWaalsContact C-N 3.31Å; F262-A264 PolarHBondContact O-N 3.29Å; A264-L268 VanDerWaalsContact O-CB 3.3Å; A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 3.05Å; A264-L614 HydrophobicContact CB-CD2 3.67Å; A264-L614 HydrophobicContact CB-CG 3.85Å; A264-L615 HydrophobicContact CB-CD2 3.83Å
265	G	90.2	Very high	85.3	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-42.8	171.7	0	0	0	0	0	113.3	C261 F262 A263 L268 S269 L633 F637	C261-G265 PolarHBondContact O-N 3.11Å; F262-G265 PolarHBondContact O-N 2.98Å; F262-G265 VanDerWaalsContact O-N 3.13Å; A263-G265 VanDerWaalsContact C-N 3.32Å; A263-G265 PolarHBondContact O-N 3.28Å; G265-L268 PolarHBondContact O-N 3.46Å; G265-S269 PolarHBondContact O-N 3.02Å; G265-L633 WeakPolarHBondContact CA-O 3.1Å; G265-F637 WeakPolarHBondContact O-CA 3.43Å; G265-F637 PolarHBondContact O-N 3.08Å
266	V	87.1	Confident	86	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-50.8	174	169.4	0	0	0	0	110.5	F262 A263 L268 S269 S270 I524 G636 V640	F262-V266 HydrophobicContact CD1-CG2 4.22Å; F262-V266 HydrophobicContact CE1-CG2 3.83Å; F262-V266 HydrophobicContact CZ-CG2 4.1Å; F262-V266 WeakPolarHBondContact O-CG2 3.46Å; F262-V266 PolarHBondContact O-N 3.33Å; A263-V266 PolarHBondContact O-N 2.83Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 2.99Å; V266-S269 PolarHBondContact O-N 3.02Å; V266-S270 PolarHBondContact O-N 3.49Å; V266-I524 HydrophobicContact CB-CG2 3.93Å; V266-I524 HydrophobicContact CG1-CB 3.83Å; V266-I524 HydrophobicContact CG1-CD1 3.95Å; V266-I524 HydrophobicContact CG1-CG1 4.5Å; V266-I524 HydrophobicContact CG1-CG2 3.39Å; V266-I524 HydrophobicContact CG2-CG2 3.97Å; V266-G636 WeakPolarHBondContact CG2-O 2.95Å; V266-V640 HydrophobicContact CB-CG2 4.07Å; V266-V640 HydrophobicContact CG1-CG2 3.6Å; V266-V640 HydrophobicContact CG2-CG2 3.97Å
267	F	85.2	Confident	86.7	Confident	9 Å²	9	26.4 Å²	26.4	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-55.6	-45.4	176.2	-73.4	-64.2	0	0	0	111.3	A263 S269 S270 G271 I525 F606 V610 L614	A263-F267 HydrophobicContact CB-CD2 4.39Å; A263-F267 HydrophobicContact CB-CE2 4.16Å; A263-F267 WeakPolarHBondContact O-CD2 3.34Å; A263-F267 WeakPolarHBondContact O-CG 3.35Å; A263-F267 PolarHBondContact O-N 3.16Å; F267-S269 VanDerWaalsContact C-N 3.29Å; F267-S269 PolarHBondContact O-N 3.18Å; F267-S270 PolarHBondContact O-N 3.5Å; F267-G271 PolarHBondContact O-N 3.45Å; F267-I525 HydrophobicContact CD1-CD1 4.22Å; F267-I525 HydrophobicContact CD1-CG1 3.93Å; F267-I525 HydrophobicContact CE1-CB 3.91Å; F267-I525 HydrophobicContact CE1-CD1 4.09Å; F267-I525 HydrophobicContact CE1-CG1 3.58Å; F267-I525 HydrophobicContact CE1-CG2 3.98Å; F267-F606 HydrophobicContact CB-CZ 3.97Å; F267-F606 AromaticContact CD1-CE2 3.94Å; F267-F606 HydrophobicContact CD1-CE2 3.94Å; F267-F606 AromaticContact CD1-CZ 3.94Å; F267-F606 HydrophobicContact CD1-CZ 3.94Å; F267-F606 HydrophobicContact CG-CZ 4.44Å; F267-F606 WeakPolarHBondContact O-CE1 3.48Å; F267-F606 VanDerWaalsContact O-CZ 3.22Å; F267-F606 WeakPolarHBondContact O-CZ 3.38Å; F267-V610 HydrophobicContact CB-CG2 3.82Å; F267-L614 HydrophobicContact CB-CD2 4.49Å; F267-L614 HydrophobicContact CD2-CD2 3.42Å; F267-L614 VanDerWaalsContact CD2-CD2 3.42Å; F267-L614 HydrophobicContact CE2-CD2 3.94Å; F267-L614 HydrophobicContact CG-CD2 4.26Å
268	L	90.5	Very high	87.1	Confident	27 Å²	27	28.7 Å²	28.7	14%	0.141	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-40.6	176.2	-176	66.3	0	0	0	112	A264 G265 V266 F272 V610 F611 F637	A264-L268 VanDerWaalsContact O-CB 3.3Å; A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 3.05Å; G265-L268 PolarHBondContact O-N 3.46Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 2.99Å; L268-F272 HydrophobicContact CD1-CD2 4.1Å; L268-F272 HydrophobicContact CD1-CE2 3.8Å; L268-F272 WeakPolarHBondContact O-CD2 3.42Å; L268-F272 PolarHBondContact O-N 2.87Å; L268-V610 HydrophobicContact CB-CG1 4.09Å; L268-V610 HydrophobicContact CD1-CG1 3.95Å; L268-F611 HydrophobicContact CD1-CE1 3.84Å; L268-F611 HydrophobicContact CD1-CE2 4.2Å; L268-F611 HydrophobicContact CD1-CZ 3.6Å; L268-F637 HydrophobicContact CD2-CD2 4.42Å; L268-F637 HydrophobicContact CG-CD2 4.37Å
269	S	90.2	Very high	87.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.6	-48.5	177.7	-168.4	0	0	0	0	113	G265 V266 F267 G271 F272 M273 F637 V640 A641	G265-S269 PolarHBondContact O-N 3.02Å; V266-S269 PolarHBondContact O-N 3.02Å; F267-S269 VanDerWaalsContact C-N 3.29Å; F267-S269 PolarHBondContact O-N 3.18Å; S269-G271 PolarHBondContact O-N 3.41Å; S269-F272 PolarHBondContact O-N 3.36Å; S269-F272 VanDerWaalsContact O-N 3.11Å; S269-M273 VanDerWaalsContact O-CB 3.3Å; S269-M273 WeakPolarHBondContact O-CB 3.3Å; S269-M273 WeakPolarHBondContact O-CG 3.22Å; S269-M273 PolarHBondContact O-N 2.98Å; S269-F637 PolarHBondContact OG-O 3.33Å; S269-V640 WeakPolarHBondContact OG-CB 3.37Å; S269-V640 WeakPolarHBondContact OG-CG1 3.22Å; S269-A641 PolarHBondContact OG-N 3.04Å
270	S	84.9	Confident	88	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.028	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-31.3	175.7	-78.5	0	0	0	0	111.9	V266 F267 F272 E274 L275	V266-S270 PolarHBondContact O-N 3.49Å; F267-S270 PolarHBondContact O-N 3.5Å; S270-F272 PolarHBondContact O-N 3.3Å; S270-E274 VanDerWaalsContact CB-OE2 3.22Å; S270-E274 WeakPolarHBondContact CB-OE2 3.36Å; S270-E274 WeakPolarHBondContact O-CB 3.15Å; S270-E274 PolarHBondContact O-N 2.64Å; S270-E274 PolarHBondContact OG-OE2 2.87Å; S270-L275 PolarHBondContact O-N 3.22Å
271	G	88.7	Confident	88.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-57.4	-46.6	171.8	0	0	0	0	0	113.3	F267 S269 Y276 F606 F607	F267-G271 PolarHBondContact O-N 3.45Å; S269-G271 PolarHBondContact O-N 3.41Å; G271-Y276 WeakPolarHBondContact O-CB 3.37Å; G271-Y276 PolarHBondContact O-N 2.69Å; G271-Y276 VanDerWaalsContact O-N 3.07Å; G271-F606 VanDerWaalsContact CA-CE1 3.43Å; G271-F607 VanDerWaalsContact C-CZ 3.47Å; G271-F607 WeakPolarHBondContact O-CZ 3.32Å
272	F	92.2	Very high	88.7	Confident	86 Å²	86	34.2 Å²	34.2	38%	0.377	17%	0.168	S	C	.	.	I	π-helix	trans	-94.7	-26.7	-174.4	-78	-71.3	0	0	0	115.7	L268 S269 S270 P277 F607 F611	L268-F272 HydrophobicContact CD1-CD2 4.1Å; L268-F272 HydrophobicContact CD1-CE2 3.8Å; L268-F272 WeakPolarHBondContact O-CD2 3.42Å; L268-F272 PolarHBondContact O-N 2.87Å; S269-F272 PolarHBondContact O-N 3.36Å; S269-F272 VanDerWaalsContact O-N 3.11Å; S270-F272 PolarHBondContact O-N 3.3Å; F272-P277 VanDerWaalsContact O-CD 3.25Å; F272-P277 WeakPolarHBondContact O-CD 3.45Å; F272-F607 HydrophobicContact CD1-CE1 4.02Å; F272-F607 AromaticContact CD1-CZ 3.74Å; F272-F607 HydrophobicContact CD1-CZ 3.74Å; F272-F607 AromaticContact CD2-CE1 3.66Å; F272-F607 HydrophobicContact CD2-CE1 3.66Å; F272-F607 HydrophobicContact CD2-CZ 4.21Å; F272-F607 AromaticContact CE1-CE1 3.87Å; F272-F607 HydrophobicContact CE1-CE1 3.87Å; F272-F607 AromaticContact CE1-CZ 3.72Å; F272-F607 HydrophobicContact CE1-CZ 3.72Å; F272-F607 HydrophobicContact CE2-CD1 4.17Å; F272-F607 AromaticContact CE2-CE1 3.48Å; F272-F607 HydrophobicContact CE2-CE1 3.48Å; F272-F607 VanDerWaalsContact CE2-CE1 3.48Å; F272-F607 HydrophobicContact CE2-CZ 4.18Å; F272-F607 AromaticContact CG-CE1 3.92Å; F272-F607 HydrophobicContact CG-CE1 3.92Å; F272-F607 AromaticContact CG-CZ 3.99Å; F272-F607 HydrophobicContact CG-CZ 3.99Å; F272-F607 HydrophobicContact CZ-CD1 4.24Å; F272-F607 AromaticContact CZ-CE1 3.59Å; F272-F607 HydrophobicContact CZ-CE1 3.59Å; F272-F607 AromaticContact CZ-CZ 3.94Å; F272-F607 HydrophobicContact CZ-CZ 3.94Å; F272-F611 AromaticContact CE2-CE2 3.83Å; F272-F611 HydrophobicContact CE2-CE2 3.83Å; F272-F611 AromaticContact CE2-CZ 3.67Å; F272-F611 HydrophobicContact CE2-CZ 3.67Å; F272-F611 AromaticContact CZ-CE2 3.9Å; F272-F611 HydrophobicContact CZ-CE2 3.9Å; F272-F611 AromaticContact CZ-CZ 3.93Å; F272-F611 HydrophobicContact CZ-CZ 3.93Å
273	M	87.8	Confident	89	Confident	89 Å²	89	32.3 Å²	32.3	44%	0.438	16%	0.161	S	C	.	.	I	π-helix	trans	-103	-9.9	-172.9	-54.9	-74.1	88.6	0	0	113.4	S269	S269-M273 VanDerWaalsContact O-CB 3.3Å; S269-M273 WeakPolarHBondContact O-CB 3.3Å; S269-M273 WeakPolarHBondContact O-CG 3.22Å; S269-M273 PolarHBondContact O-N 2.98Å
274	E	83.6	Confident	89.5	Confident	34 Å²	34	34.6 Å²	34.6	16%	0.159	18%	0.179	C	C	.	.	I	π-helix	trans	-134.7	-77.7	-173.2	179.4	176.4	-152	0	0	108.8	S270 Y276 P277 D278 H521	S270-E274 VanDerWaalsContact CB-OE2 3.22Å; S270-E274 WeakPolarHBondContact CB-OE2 3.36Å; S270-E274 WeakPolarHBondContact O-CB 3.15Å; S270-E274 PolarHBondContact O-N 2.64Å; S270-E274 PolarHBondContact OG-OE2 2.87Å; E274-Y276 VanDerWaalsContact C-N 3.32Å; E274-Y276 PolarHBondContact O-N 3.33Å; E274-Y276 VanDerWaalsContact O-N 3.12Å; E274-P277 VanDerWaalsContact O-CD 3.23Å; E274-P277 WeakPolarHBondContact O-CD 3.38Å; E274-D278 PolarHBondContact O-N 3.31Å; E274-D278 VanDerWaalsContact O-OD1 3.12Å; E274-H521 IonicContact OE1-CE1 3.43Å; E274-H521 IonicContact OE1-CG 3.68Å; E274-H521 IonicContact OE1-ND1 3.73Å; E274-H521 PolarHBondContact OE1-ND1 3.47Å; E274-H521 WeakPolarHBondContact OE2-CB 2.91Å; E274-H521 IonicContact OE2-CG 3.77Å; E274-H521 IonicContact OE2-ND1 3.66Å
275	L	87.5	Confident	89.7	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.199	C	C	.	.	I	π-helix	trans	-57.7	-33.6	-175.7	171.2	57.7	0	0	0	115.1	S270 T279 C603 F606	S270-L275 PolarHBondContact O-N 3.22Å; L275-T279 WeakPolarHBondContact O-CB 3.48Å; L275-T279 PolarHBondContact O-N 2.98Å; L275-T279 PolarHBondContact O-OG1 3.43Å; L275-C603 HydrophobicContact CD1-CB 3.94Å; L275-C603 HydrophobicContact CD2-CB 4.43Å; L275-C603 HydrophobicContact CG-CB 3.94Å; L275-F606 HydrophobicContact CD2-CB 3.57Å; L275-F606 HydrophobicContact CD2-CD1 3.77Å; L275-F606 HydrophobicContact CD2-CD2 4.03Å; L275-F606 HydrophobicContact CD2-CE1 4.46Å; L275-F606 HydrophobicContact CD2-CG 3.51Å
276	Y	92.9	Very high	89.8	Confident	52 Å²	52	38.9 Å²	38.9	20%	0.204	20%	0.2	C	C	.	.	H	α-helix	trans	-76.6	-51.9	175.2	-177.6	-97	0	0	0	112.7	G271 E274 D278 T279 E280 P300 F607	G271-Y276 WeakPolarHBondContact O-CB 3.37Å; G271-Y276 PolarHBondContact O-N 2.69Å; G271-Y276 VanDerWaalsContact O-N 3.07Å; E274-Y276 VanDerWaalsContact C-N 3.32Å; E274-Y276 PolarHBondContact O-N 3.33Å; E274-Y276 VanDerWaalsContact O-N 3.12Å; Y276-D278 VanDerWaalsContact C-N 3.35Å; Y276-D278 PolarHBondContact O-N 3.49Å; Y276-T279 WeakPolarHBondContact O-CA 3.05Å; Y276-T279 VanDerWaalsContact O-CB 3.24Å; Y276-T279 WeakPolarHBondContact O-CB 3.2Å; Y276-T279 PolarHBondContact O-N 3.43Å; Y276-E280 HydrophobicContact CD1-CG 4.2Å; Y276-E280 VanDerWaalsContact CE1-CD 3.48Å; Y276-E280 HydrophobicContact CE1-CG 3.8Å; Y276-E280 WeakPolarHBondContact O-CG 3.36Å; Y276-E280 PolarHBondContact O-N 2.8Å; Y276-E280 PolarHBondContact OH-OE1 2.88Å; Y276-P300 HydrophobicContact CE2-CB 4.43Å; Y276-P300 WeakPolarHBondContact OH-CD 3.38Å; Y276-F607 HydrophobicContact CD2-CE2 4.25Å
277	P	91.6	Very high	90	Very high	54 Å²	54	42.3 Å²	42.3	35%	0.351	21%	0.214	S	C	.	.	H	α-helix	trans	-49.6	-47.1	168.4	-32.2	36.9	0	0	0	114.5	F272 E274 T279 E280 E281	F272-P277 VanDerWaalsContact O-CD 3.25Å; F272-P277 WeakPolarHBondContact O-CD 3.45Å; E274-P277 VanDerWaalsContact O-CD 3.23Å; E274-P277 WeakPolarHBondContact O-CD 3.38Å; P277-T279 PolarHBondContact O-N 2.84Å; P277-E280 WeakPolarHBondContact O-CA 3.29Å; P277-E280 PolarHBondContact O-N 3.3Å; P277-E281 PolarHBondContact O-N 2.85Å
278	D	87.5	Confident	90.3	Very high	58 Å²	58	48.2 Å²	48.2	31%	0.31	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-35.1	177	-55.1	-17.3	0	0	0	111.6	E274 Y276 A282 Q599	E274-D278 PolarHBondContact O-N 3.31Å; E274-D278 VanDerWaalsContact O-OD1 3.12Å; Y276-D278 VanDerWaalsContact C-N 3.35Å; Y276-D278 PolarHBondContact O-N 3.49Å; D278-A282 WeakPolarHBondContact O-CB 3.3Å; D278-A282 PolarHBondContact O-N 3.39Å; D278-Q599 VanDerWaalsContact C-NE2 3.33Å; D278-Q599 PolarHBondContact O-NE2 3.4Å
279	T	92.2	Very high	90.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.5	-39.1	176	-62.3	0	0	0	0	111.1	L275 Y276 P277 I283 A299	L275-T279 WeakPolarHBondContact O-CB 3.48Å; L275-T279 PolarHBondContact O-N 2.98Å; L275-T279 PolarHBondContact O-OG1 3.43Å; Y276-T279 WeakPolarHBondContact O-CA 3.05Å; Y276-T279 VanDerWaalsContact O-CB 3.24Å; Y276-T279 WeakPolarHBondContact O-CB 3.2Å; Y276-T279 PolarHBondContact O-N 3.43Å; P277-T279 PolarHBondContact O-N 2.84Å; T279-I283 HydrophobicContact CG2-CD1 3.84Å; T279-I283 WeakPolarHBondContact O-CB 3.49Å; T279-I283 WeakPolarHBondContact O-CD1 3.45Å; T279-I283 VanDerWaalsContact O-CG1 3.24Å; T279-I283 WeakPolarHBondContact O-CG1 3.4Å; T279-I283 PolarHBondContact O-N 3.14Å; T279-A299 HydrophobicContact CG2-CB 4.24Å
280	E	94.3	Very high	90.1	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-41.7	175.6	-54.5	-141.1	99	0	0	111.4	Y276 P277 I283 A284 A299	Y276-E280 HydrophobicContact CD1-CG 4.2Å; Y276-E280 VanDerWaalsContact CE1-CD 3.48Å; Y276-E280 HydrophobicContact CE1-CG 3.8Å; Y276-E280 WeakPolarHBondContact O-CG 3.36Å; Y276-E280 PolarHBondContact O-N 2.8Å; Y276-E280 PolarHBondContact OH-OE1 2.88Å; P277-E280 WeakPolarHBondContact O-CA 3.29Å; P277-E280 PolarHBondContact O-N 3.3Å; E280-I283 PolarHBondContact O-N 3.34Å; E280-A284 WeakPolarHBondContact O-CB 3.41Å; E280-A284 PolarHBondContact O-N 3.49Å; E280-A299 HydrophobicContact CB-CB 4.34Å; E280-A299 HydrophobicContact CG-CB 3.8Å
281	E	91.6	Very high	90.1	Very high	131 Å²	131	60.6 Å²	60.6	61%	0.612	30%	0.304	S	S	*	.	H	α-helix	trans	-64.7	-52.3	176.7	-175.4	175.7	-147.4	0	0	112.1	P277 I283 A284 E285	P277-E281 PolarHBondContact O-N 2.85Å; E281-I283 PolarHBondContact O-N 3.48Å; E281-I283 VanDerWaalsContact O-N 3.15Å; E281-A284 CarbonylContact O-C 3.55Å; E281-A284 WeakPolarHBondContact O-CA 3.38Å; E281-A284 WeakPolarHBondContact O-CB 3.38Å; E281-A284 PolarHBondContact O-N 2.91Å; E281-E285 PolarHBondContact O-N 2.86Å
282	A	90	Very high	90	Very high	13 Å²	13	63.8 Å²	63.8	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-34.7	179.9	0	0	0	0	0	112.2	D278 A286 A596	D278-A282 WeakPolarHBondContact O-CB 3.3Å; D278-A282 PolarHBondContact O-N 3.39Å; A282-A286 WeakPolarHBondContact O-CB 3.5Å; A282-A286 PolarHBondContact O-N 3.38Å; A282-A596 HydrophobicContact CB-CB 3.96Å; A282-A596 WeakPolarHBondContact O-CB 3.38Å
283	I	93.2	Very high	89.6	Confident	19 Å²	19	69.9 Å²	69.9	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-74.7	-36.4	175.6	-73.2	171.7	0	0	0	111.7	T279 E280 E281 K287 F298 A299 L302 A596	T279-I283 HydrophobicContact CG2-CD1 3.84Å; T279-I283 WeakPolarHBondContact O-CB 3.49Å; T279-I283 WeakPolarHBondContact O-CD1 3.45Å; T279-I283 VanDerWaalsContact O-CG1 3.24Å; T279-I283 WeakPolarHBondContact O-CG1 3.4Å; T279-I283 PolarHBondContact O-N 3.14Å; E280-I283 PolarHBondContact O-N 3.34Å; E281-I283 PolarHBondContact O-N 3.48Å; E281-I283 VanDerWaalsContact O-N 3.15Å; I283-K287 WeakPolarHBondContact O-CB 3.4Å; I283-K287 PolarHBondContact O-N 3.49Å; I283-F298 HydrophobicContact CG2-CB 3.67Å; I283-A299 VanDerWaalsContact CD1-CA 3.42Å; I283-A299 HydrophobicContact CD1-CB 3.75Å; I283-L302 HydrophobicContact CD1-CD1 3.64Å; I283-L302 HydrophobicContact CG1-CD1 4.39Å; I283-A596 HydrophobicContact CG1-CB 3.79Å
284	A	92.9	Very high	89.6	Confident	55 Å²	55	67.5 Å²	67.5	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-42.9	172.4	0	0	0	0	0	111.8	E280 E281 K287 L288	E280-A284 WeakPolarHBondContact O-CB 3.41Å; E280-A284 PolarHBondContact O-N 3.49Å; E281-A284 CarbonylContact O-C 3.55Å; E281-A284 WeakPolarHBondContact O-CA 3.38Å; E281-A284 WeakPolarHBondContact O-CB 3.38Å; E281-A284 PolarHBondContact O-N 2.91Å; A284-K287 PolarHBondContact O-N 3.28Å; A284-L288 WeakPolarHBondContact O-CB 3.43Å; A284-L288 PolarHBondContact O-N 2.99Å
285	E	89.8	Confident	89.8	Confident	89 Å²	89	75.3 Å²	75.3	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-51.4	172.9	-71.5	-149.5	129.7	0	0	111.9	E281 K287 L288 Q289 T592	E281-E285 PolarHBondContact O-N 2.86Å; E285-K287 VanDerWaalsContact C-N 3.31Å; E285-K287 PolarHBondContact O-N 2.91Å; E285-L288 PolarHBondContact O-N 3.06Å; E285-Q289 WeakPolarHBondContact O-CG 3.47Å; E285-Q289 PolarHBondContact O-N 3.41Å; E285-T592 HydrophobicContact CB-CG2 3.87Å
286	A	91.7	Very high	89.9	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.008	40%	0.395	C	S	.	.	H	α-helix	trans	-60.1	-41.9	-179.9	0	0	0	0	0	111.8	A282 Q289 L290 T592 M593 A596	A282-A286 WeakPolarHBondContact O-CB 3.5Å; A282-A286 PolarHBondContact O-N 3.38Å; A286-Q289 PolarHBondContact O-N 2.88Å; A286-L290 WeakPolarHBondContact O-CB 3.43Å; A286-L290 WeakPolarHBondContact O-CG 3.22Å; A286-L290 PolarHBondContact O-N 3.34Å; A286-T592 HydrophobicContact CB-CG2 4.08Å; A286-M593 HydrophobicContact CB-CB 4.31Å; A286-M593 HydrophobicContact CB-SD 3.94Å; A286-A596 HydrophobicContact CB-CB 4.18Å
287	K	91.5	Very high	90	Very high	74 Å²	74	81 Å²	81	32%	0.322	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-42.4	175.5	-179.2	-173.9	-176.7	176.7	0	112.2	I283 A284 E285 H291 I292 S294	I283-K287 WeakPolarHBondContact O-CB 3.4Å; I283-K287 PolarHBondContact O-N 3.49Å; A284-K287 PolarHBondContact O-N 3.28Å; E285-K287 VanDerWaalsContact C-N 3.31Å; E285-K287 PolarHBondContact O-N 2.91Å; K287-H291 PolarHBondContact O-N 2.96Å; K287-H291 VanDerWaalsContact O-N 3.08Å; K287-I292 WeakPolarHBondContact CE-O 3.28Å; K287-I292 HydrophobicContact CG-CB 4.23Å; K287-I292 WeakPolarHBondContact CG-O 3.34Å; K287-I292 PolarHBondContact O-N 3.13Å; K287-S294 WeakPolarHBondContact CE-O 3.49Å; K287-S294 PolarHBondContact NZ-O 3.33Å
288	L	90.7	Very high	90.1	Very high	134 Å²	134	81.4 Å²	81.4	70%	0.702	41%	0.406	S	S	*	.	H	α-helix	trans	-65.3	-49.4	176.9	-175.1	156.5	0	0	0	110.8	A284 E285 L290 H291	A284-L288 WeakPolarHBondContact O-CB 3.43Å; A284-L288 PolarHBondContact O-N 2.99Å; E285-L288 PolarHBondContact O-N 3.06Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 PolarHBondContact O-N 3.33Å; L288-H291 PolarHBondContact O-N 3.43Å; L288-H291 VanDerWaalsContact O-N 3.13Å
289	Q	88.5	Confident	90.5	Very high	60 Å²	60	78.8 Å²	78.8	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-61.4	-39.6	179.9	-67.8	176.3	22.6	0	0	111.9	E285 A286 H291 A589 T592	E285-Q289 WeakPolarHBondContact O-CG 3.47Å; E285-Q289 PolarHBondContact O-N 3.41Å; A286-Q289 PolarHBondContact O-N 2.88Å; Q289-H291 VanDerWaalsContact C-N 3.35Å; Q289-H291 PolarHBondContact O-ND1 3.5Å; Q289-A589 HydrophobicContact CB-CB 4Å; Q289-T592 PolarHBondContact NE2-OG1 3.44Å; Q289-T592 VanDerWaalsContact OE1-CB 3.31Å; Q289-T592 PolarHBondContact OE1-OG1 3.31Å
290	L	88.9	Confident	90.6	Very high	69 Å²	69	80.6 Å²	80.6	36%	0.361	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.2	177.8	-65.1	173.1	0	0	0	114.6	A286 L288 I292 A589 M593	A286-L290 WeakPolarHBondContact O-CB 3.43Å; A286-L290 WeakPolarHBondContact O-CG 3.22Å; A286-L290 PolarHBondContact O-N 3.34Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 PolarHBondContact O-N 3.33Å; L290-I292 HydrophobicContact CB-CD1 3.71Å; L290-I292 HydrophobicContact CB-CG1 3.76Å; L290-I292 HydrophobicContact CD1-CD1 3.95Å; L290-I292 HydrophobicContact CG-CD1 4.5Å; L290-I292 PolarHBondContact O-N 3.48Å; L290-A589 HydrophobicContact CD2-CB 3.67Å; L290-A589 HydrophobicContact CG-CB 4.16Å; L290-M593 HydrophobicContact CD1-CB 4.1Å; L290-M593 HydrophobicContact CD1-CG 4.05Å; L290-M593 HydrophobicContact CD1-SD 4.05Å
291	H	86	Confident	90.8	Very high	161 Å²	161	80.9 Å²	80.9	75%	0.745	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	27.7	-178.5	-67.5	62.1	0	0	0	114.8	K287 L288 Q289 K293	K287-H291 PolarHBondContact O-N 2.96Å; K287-H291 VanDerWaalsContact O-N 3.08Å; L288-H291 PolarHBondContact O-N 3.43Å; L288-H291 VanDerWaalsContact O-N 3.13Å; Q289-H291 VanDerWaalsContact C-N 3.35Å; Q289-H291 PolarHBondContact O-ND1 3.5Å; H291-K293 PolarHBondContact O-N 2.92Å; H291-K293 VanDerWaalsContact O-N 3.08Å
292	I	85.9	Confident	91	Very high	68 Å²	68	75.6 Å²	75.6	35%	0.349	38%	0.38	S	S	.	.			trans	-79.4	96.3	-173.8	-61.6	173.7	0	0	0	110.6	K287 L290 S294	K287-I292 WeakPolarHBondContact CE-O 3.28Å; K287-I292 HydrophobicContact CG-CB 4.23Å; K287-I292 WeakPolarHBondContact CG-O 3.34Å; K287-I292 PolarHBondContact O-N 3.13Å; L290-I292 HydrophobicContact CB-CD1 3.71Å; L290-I292 HydrophobicContact CB-CG1 3.76Å; L290-I292 HydrophobicContact CD1-CD1 3.95Å; L290-I292 HydrophobicContact CG-CD1 4.5Å; L290-I292 PolarHBondContact O-N 3.48Å; I292-S294 PolarHBondContact O-N 3.06Å
293	K	82.8	Confident	91.3	Very high	213 Å²	213	75.6 Å²	75.6	93%	0.926	38%	0.378	S	S	*	.			trans	-78	52.5	175.7	-63.4	-171.5	178.6	-175.6	0	113.4	H291	H291-K293 PolarHBondContact O-N 2.92Å; H291-K293 VanDerWaalsContact O-N 3.08Å
294	S	87.8	Confident	91.4	Very high	40 Å²	40	79 Å²	79	28%	0.28	40%	0.396	S	S	.	.			trans	-102.7	138.9	173.5	-178.9	0	0	0	0	111	K287 I292 F296	K287-S294 WeakPolarHBondContact CE-O 3.49Å; K287-S294 PolarHBondContact NZ-O 3.33Å; I292-S294 PolarHBondContact O-N 3.06Å; S294-F296 VanDerWaalsContact C-N 3.28Å; S294-F296 VanDerWaalsContact OG-CB 3.31Å; S294-F296 WeakPolarHBondContact OG-CB 3.29Å; S294-F296 PolarHBondContact OG-N 3.03Å
295	E	88.2	Confident	91.6	Very high	198 Å²	198	79.1 Å²	79.1	93%	0.925	39%	0.391	S	S	*	.			trans	-85.4	-1.9	172	-62	-174.3	140.7	0	0	112.7
296	F	91	Very high	91.8	Very high	94 Å²	94	74.9 Å²	74.9	41%	0.412	37%	0.371	S	S	.	.			trans	-62.2	131.5	-179.4	-175.1	-96.8	0	0	0	112	S294 F298 F301	S294-F296 VanDerWaalsContact C-N 3.28Å; S294-F296 VanDerWaalsContact OG-CB 3.31Å; S294-F296 WeakPolarHBondContact OG-CB 3.29Å; S294-F296 PolarHBondContact OG-N 3.03Å; F296-F298 VanDerWaalsContact C-N 3.33Å; F296-F298 HydrophobicContact CB-CD2 4.48Å; F296-F298 HydrophobicContact CB-CE2 4.14Å; F296-F298 HydrophobicContact CB-CZ 4.4Å; F296-F298 AromaticContact CD1-CD1 3.71Å; F296-F298 HydrophobicContact CD1-CD1 3.71Å; F296-F298 HydrophobicContact CD1-CD2 4.06Å; F296-F298 AromaticContact CD1-CE1 3.79Å; F296-F298 HydrophobicContact CD1-CE1 3.79Å; F296-F298 HydrophobicContact CD1-CE2 4.14Å; F296-F298 AromaticContact CD1-CG 3.85Å; F296-F298 HydrophobicContact CD1-CG 3.85Å; F296-F298 HydrophobicContact CD1-CZ 4.01Å; F296-F298 HydrophobicContact CE1-CD1 4.05Å; F296-F298 HydrophobicContact CE1-CE1 4.3Å; F296-F298 HydrophobicContact CE1-CG 4.45Å; F296-F298 VanDerWaalsContact O-CD2 3.23Å; F296-F298 WeakPolarHBondContact O-CD2 3.39Å; F296-F298 PolarHBondContact O-N 2.95Å; F296-F301 HydrophobicContact CE1-CB 3.63Å; F296-F301 AromaticContact CE1-CD1 3.93Å; F296-F301 HydrophobicContact CE1-CD1 3.93Å; F296-F301 HydrophobicContact CE1-CD2 4.16Å; F296-F301 AromaticContact CE1-CG 3.63Å; F296-F301 HydrophobicContact CE1-CG 3.63Å; F296-F301 HydrophobicContact CZ-CB 3.88Å; F296-F301 HydrophobicContact CZ-CD1 4.37Å; F296-F301 AromaticContact CZ-CD2 3.79Å; F296-F301 HydrophobicContact CZ-CD2 3.79Å; F296-F301 HydrophobicContact CZ-CE2 4.44Å; F296-F301 AromaticContact CZ-CG 3.74Å; F296-F301 HydrophobicContact CZ-CG 3.74Å
297	P	93.9	Very high	91.9	Very high	78 Å²	78	76.9 Å²	76.9	51%	0.506	38%	0.38	S	S	.	.			trans	-80.6	79.6	-177.2	34.3	-36.6	0	0	0	110.7	A299 P300 F301	P297-A299 VanDerWaalsContact C-N 3.26Å; P297-A299 PolarHBondContact O-N 3.29Å; P297-P300 HydrophobicContact CB-CG 3.76Å; P297-P300 HydrophobicContact CG-CG 4.36Å; P297-P300 WeakPolarHBondContact O-CD 3.36Å; P297-F301 WeakPolarHBondContact O-CB 3.27Å; P297-F301 PolarHBondContact O-N 3.2Å
298	F	94	Very high	92.1	Very high	62 Å²	62	78.9 Å²	78.9	27%	0.272	39%	0.389	S	S	.	.	H	α-helix	trans	-59.1	-31.5	-177.7	-74.8	-77.8	0	0	0	113.9	I283 F296 L302	I283-F298 HydrophobicContact CG2-CB 3.67Å; F296-F298 VanDerWaalsContact C-N 3.33Å; F296-F298 HydrophobicContact CB-CD2 4.48Å; F296-F298 HydrophobicContact CB-CE2 4.14Å; F296-F298 HydrophobicContact CB-CZ 4.4Å; F296-F298 AromaticContact CD1-CD1 3.71Å; F296-F298 HydrophobicContact CD1-CD1 3.71Å; F296-F298 HydrophobicContact CD1-CD2 4.06Å; F296-F298 AromaticContact CD1-CE1 3.79Å; F296-F298 HydrophobicContact CD1-CE1 3.79Å; F296-F298 HydrophobicContact CD1-CE2 4.14Å; F296-F298 AromaticContact CD1-CG 3.85Å; F296-F298 HydrophobicContact CD1-CG 3.85Å; F296-F298 HydrophobicContact CD1-CZ 4.01Å; F296-F298 HydrophobicContact CE1-CD1 4.05Å; F296-F298 HydrophobicContact CE1-CE1 4.3Å; F296-F298 HydrophobicContact CE1-CG 4.45Å; F296-F298 VanDerWaalsContact O-CD2 3.23Å; F296-F298 WeakPolarHBondContact O-CD2 3.39Å; F296-F298 PolarHBondContact O-N 2.95Å; F298-L302 WeakPolarHBondContact O-CB 3.33Å; F298-L302 WeakPolarHBondContact O-CG 3.46Å; F298-L302 PolarHBondContact O-N 2.89Å
299	A	95	Very high	92.1	Very high	3 Å²	3	76.5 Å²	76.5	3%	0.025	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-63.8	-179.9	0	0	0	0	0	113.3	T279 E280 I283 P297 F301 L302 T303	T279-A299 HydrophobicContact CG2-CB 4.24Å; E280-A299 HydrophobicContact CB-CB 4.34Å; E280-A299 HydrophobicContact CG-CB 3.8Å; I283-A299 VanDerWaalsContact CD1-CA 3.42Å; I283-A299 HydrophobicContact CD1-CB 3.75Å; P297-A299 VanDerWaalsContact C-N 3.26Å; P297-A299 PolarHBondContact O-N 3.29Å; A299-F301 PolarHBondContact O-N 3.13Å; A299-L302 PolarHBondContact O-N 3.4Å; A299-L302 VanDerWaalsContact O-N 3.09Å; A299-T303 PolarHBondContact O-N 2.91Å; A299-T303 PolarHBondContact O-OG1 2.93Å; A299-T303 VanDerWaalsContact O-OG1 3.05Å
300	P	96.1	Very high	92.2	Very high	38 Å²	38	73.8 Å²	73.8	25%	0.247	36%	0.364	C	S	.	.	H	α-helix	trans	-62.5	-26.2	176.8	26.2	-34	0	0	0	112.6	Y276 P297 L304	Y276-P300 HydrophobicContact CE2-CB 4.43Å; Y276-P300 WeakPolarHBondContact OH-CD 3.38Å; P297-P300 HydrophobicContact CB-CG 3.76Å; P297-P300 HydrophobicContact CG-CG 4.36Å; P297-P300 WeakPolarHBondContact O-CD 3.36Å; P300-L304 VanDerWaalsContact O-CB 3.31Å; P300-L304 WeakPolarHBondContact O-CB 3.46Å; P300-L304 WeakPolarHBondContact O-CG 3.25Å; P300-L304 PolarHBondContact O-N 2.89Å
301	F	96.6	Very high	92.2	Very high	99 Å²	99	72.7 Å²	72.7	43%	0.434	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-51.3	170.6	173.2	-103.4	0	0	0	112.3	F296 P297 A299 L304 V305	F296-F301 HydrophobicContact CE1-CB 3.63Å; F296-F301 AromaticContact CE1-CD1 3.93Å; F296-F301 HydrophobicContact CE1-CD1 3.93Å; F296-F301 HydrophobicContact CE1-CD2 4.16Å; F296-F301 AromaticContact CE1-CG 3.63Å; F296-F301 HydrophobicContact CE1-CG 3.63Å; F296-F301 HydrophobicContact CZ-CB 3.88Å; F296-F301 HydrophobicContact CZ-CD1 4.37Å; F296-F301 AromaticContact CZ-CD2 3.79Å; F296-F301 HydrophobicContact CZ-CD2 3.79Å; F296-F301 HydrophobicContact CZ-CE2 4.44Å; F296-F301 AromaticContact CZ-CG 3.74Å; F296-F301 HydrophobicContact CZ-CG 3.74Å; P297-F301 WeakPolarHBondContact O-CB 3.27Å; P297-F301 PolarHBondContact O-N 3.2Å; A299-F301 PolarHBondContact O-N 3.13Å; F301-L304 PolarHBondContact O-N 2.96Å; F301-V305 HydrophobicContact CD2-CG2 4.47Å; F301-V305 HydrophobicContact CE1-CG2 4.11Å; F301-V305 HydrophobicContact CE2-CG2 4.06Å; F301-V305 HydrophobicContact CZ-CG2 3.87Å; F301-V305 WeakPolarHBondContact O-CG2 3.45Å; F301-V305 PolarHBondContact O-N 3.33Å
302	L	96.4	Very high	92.4	Very high	20 Å²	20	68 Å²	68	11%	0.105	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-37.4	179	-75	163.4	0	0	0	111.9	I283 F298 A299 V305 G306 V597	I283-L302 HydrophobicContact CD1-CD1 3.64Å; I283-L302 HydrophobicContact CG1-CD1 4.39Å; F298-L302 WeakPolarHBondContact O-CB 3.33Å; F298-L302 WeakPolarHBondContact O-CG 3.46Å; F298-L302 PolarHBondContact O-N 2.89Å; A299-L302 PolarHBondContact O-N 3.4Å; A299-L302 VanDerWaalsContact O-N 3.09Å; L302-V305 PolarHBondContact O-N 2.83Å; L302-G306 PolarHBondContact O-N 3.04Å; L302-V597 HydrophobicContact CD1-CG2 4.1Å; L302-V597 HydrophobicContact CD2-CG1 4.2Å; L302-V597 HydrophobicContact CD2-CG2 4.36Å
303	T	95.9	Very high	92.5	Very high	12 Å²	12	67.7 Å²	67.7	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-46.7	169.5	-56	0	0	0	0	111.5	A299 G306 F307 G600 C603 G604 F607	A299-T303 PolarHBondContact O-N 2.91Å; A299-T303 PolarHBondContact O-OG1 2.93Å; A299-T303 VanDerWaalsContact O-OG1 3.05Å; T303-G306 PolarHBondContact O-N 2.77Å; T303-F307 WeakPolarHBondContact O-CB 3.43Å; T303-F307 PolarHBondContact O-N 2.74Å; T303-G600 WeakPolarHBondContact CA-O 3.13Å; T303-C603 HydrophobicContact CG2-CB 4.49Å; T303-G604 WeakPolarHBondContact O-CA 3.48Å; T303-F607 HydrophobicContact CG2-CD2 3.6Å; T303-F607 HydrophobicContact CG2-CE2 3.92Å
304	L	96.8	Very high	92.5	Very high	90 Å²	90	59.4 Å²	59.4	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-37.9	176.6	-75.1	169.9	0	0	0	112.4	P300 F301 G306 F307 F308	P300-L304 VanDerWaalsContact O-CB 3.31Å; P300-L304 WeakPolarHBondContact O-CB 3.46Å; P300-L304 WeakPolarHBondContact O-CG 3.25Å; P300-L304 PolarHBondContact O-N 2.89Å; F301-L304 PolarHBondContact O-N 2.96Å; L304-G306 PolarHBondContact O-N 3.41Å; L304-F307 PolarHBondContact O-N 3.29Å; L304-F308 HydrophobicContact CB-CD2 4.29Å; L304-F308 HydrophobicContact CB-CE2 4.23Å; L304-F308 HydrophobicContact CD2-CE2 4.12Å; L304-F308 WeakPolarHBondContact O-CB 3.47Å; L304-F308 WeakPolarHBondContact O-CD2 3.33Å; L304-F308 PolarHBondContact O-N 3.47Å
305	V	96.6	Very high	92.5	Very high	58 Å²	58	62 Å²	62	35%	0.352	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-42.6	174.2	174.1	0	0	0	0	111	F301 L302 F308 L309 L601	F301-V305 HydrophobicContact CD2-CG2 4.47Å; F301-V305 HydrophobicContact CE1-CG2 4.11Å; F301-V305 HydrophobicContact CE2-CG2 4.06Å; F301-V305 HydrophobicContact CZ-CG2 3.87Å; F301-V305 WeakPolarHBondContact O-CG2 3.45Å; F301-V305 PolarHBondContact O-N 3.33Å; L302-V305 PolarHBondContact O-N 2.83Å; V305-F308 PolarHBondContact O-N 2.93Å; V305-L309 VanDerWaalsContact O-CB 3.22Å; V305-L309 WeakPolarHBondContact O-CB 3.46Å; V305-L309 PolarHBondContact O-N 2.83Å; V305-L601 HydrophobicContact CB-CD2 4.08Å; V305-L601 HydrophobicContact CG1-CD2 3.67Å
306	G	93.9	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-43.4	174.7	0	0	0	0	0	112.8	L302 T303 L304 L309 V310	L302-G306 PolarHBondContact O-N 3.04Å; T303-G306 PolarHBondContact O-N 2.77Å; L304-G306 PolarHBondContact O-N 3.41Å; G306-L309 PolarHBondContact O-N 3.12Å; G306-V310 WeakPolarHBondContact O-CG2 3.3Å; G306-V310 PolarHBondContact O-N 3.18Å
307	F	94.3	Very high	92.1	Very high	43 Å²	43	56 Å²	56	19%	0.189	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-47.2	177.1	-175.5	-89.6	0	0	0	112	T303 L304 V310 L311 G604 F607 F608	T303-F307 WeakPolarHBondContact O-CB 3.43Å; T303-F307 PolarHBondContact O-N 2.74Å; L304-F307 PolarHBondContact O-N 3.29Å; F307-V310 PolarHBondContact O-N 3.32Å; F307-L311 HydrophobicContact CD1-CD1 3.79Å; F307-L311 HydrophobicContact CE1-CD1 3.46Å; F307-L311 VanDerWaalsContact CE1-CD1 3.46Å; F307-L311 HydrophobicContact CE1-CG 4.46Å; F307-L311 HydrophobicContact CZ-CD1 4.35Å; F307-L311 PolarHBondContact O-N 3.29Å; F307-G604 WeakPolarHBondContact CA-O 3.49Å; F307-F607 HydrophobicContact CD2-CB 4.25Å; F307-F608 HydrophobicContact CD2-CB 3.74Å; F307-F608 HydrophobicContact CE2-CB 3.98Å; F307-F608 HydrophobicContact CE2-CD2 4.34Å; F307-F608 HydrophobicContact CG-CB 4.42Å; F307-F608 HydrophobicContact CZ-CD2 4.45Å
308	F	94.5	Very high	91.4	Very high	117 Å²	117	59.2 Å²	59.2	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-72.3	-28.7	178.8	-72.7	-56	0	0	0	113.7	L304 V305 V310 L311 S312	L304-F308 HydrophobicContact CB-CD2 4.29Å; L304-F308 HydrophobicContact CB-CE2 4.23Å; L304-F308 HydrophobicContact CD2-CE2 4.12Å; L304-F308 WeakPolarHBondContact O-CB 3.47Å; L304-F308 WeakPolarHBondContact O-CD2 3.33Å; L304-F308 PolarHBondContact O-N 3.47Å; V305-F308 PolarHBondContact O-N 2.93Å; F308-V310 VanDerWaalsContact C-N 3.32Å; F308-V310 PolarHBondContact O-N 2.88Å; F308-L311 HydrophobicContact CD1-CD1 3.85Å; F308-L311 HydrophobicContact CE1-CD1 4.19Å; F308-S312 VanDerWaalsContact O-CB 3.28Å; F308-S312 WeakPolarHBondContact O-CB 3.47Å; F308-S312 PolarHBondContact O-N 2.96Å; F308-S312 PolarHBondContact O-OG 3.26Å
309	L	92.1	Very high	91	Very high	83 Å²	83	60 Å²	60	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-59.5	-45	172.3	179	158	0	0	0	110.6	V305 G306 S312 I313	V305-L309 VanDerWaalsContact O-CB 3.22Å; V305-L309 WeakPolarHBondContact O-CB 3.46Å; V305-L309 PolarHBondContact O-N 2.83Å; G306-L309 PolarHBondContact O-N 3.12Å; L309-S312 WeakPolarHBondContact O-CB 3.25Å; L309-S312 PolarHBondContact O-N 3.27Å; L309-I313 HydrophobicContact CD2-CD1 3.65Å; L309-I313 HydrophobicContact CD2-CG1 4.49Å; L309-I313 WeakPolarHBondContact O-CG1 3.28Å; L309-I313 PolarHBondContact O-N 3.07Å
310	V	88.6	Confident	90.4	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-71.7	-44.5	-177.9	178.6	0	0	0	0	111.6	G306 F307 F308 S312 I313 E314 L486 T605 F608	G306-V310 WeakPolarHBondContact O-CG2 3.3Å; G306-V310 PolarHBondContact O-N 3.18Å; F307-V310 PolarHBondContact O-N 3.32Å; F308-V310 VanDerWaalsContact C-N 3.32Å; F308-V310 PolarHBondContact O-N 2.88Å; V310-S312 VanDerWaalsContact C-N 3.26Å; V310-S312 PolarHBondContact O-N 3Å; V310-I313 PolarHBondContact O-N 3.38Å; V310-E314 PolarHBondContact O-N 3.43Å; V310-L486 HydrophobicContact CG1-CD1 3.99Å; V310-T605 HydrophobicContact CG2-CG2 3.55Å; V310-T605 WeakPolarHBondContact CG2-OG1 3.46Å; V310-F608 HydrophobicContact CB-CB 4.37Å; V310-F608 HydrophobicContact CB-CD1 4.17Å; V310-F608 HydrophobicContact CB-CG 4.12Å; V310-F608 HydrophobicContact CG1-CB 4.29Å; V310-F608 HydrophobicContact CG1-CD1 3.24Å; V310-F608 HydrophobicContact CG1-CD2 4.39Å; V310-F608 HydrophobicContact CG1-CE1 3.6Å; V310-F608 HydrophobicContact CG1-CG 3.69Å; V310-F608 HydrophobicContact CG1-CZ 4.31Å
311	L	90.2	Very high	89.3	Confident	46 Å²	46	63 Å²	63	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-52.1	-47	168.3	-89.1	167.7	0	0	0	111.3	F307 F308 I313 E314 Q315 F608	F307-L311 HydrophobicContact CD1-CD1 3.79Å; F307-L311 HydrophobicContact CE1-CD1 3.46Å; F307-L311 VanDerWaalsContact CE1-CD1 3.46Å; F307-L311 HydrophobicContact CE1-CG 4.46Å; F307-L311 HydrophobicContact CZ-CD1 4.35Å; F307-L311 PolarHBondContact O-N 3.29Å; F308-L311 HydrophobicContact CD1-CD1 3.85Å; F308-L311 HydrophobicContact CE1-CD1 4.19Å; L311-I313 PolarHBondContact O-N 3.34Å; L311-E314 PolarHBondContact O-N 3.01Å; L311-Q315 WeakPolarHBondContact O-CB 3.38Å; L311-Q315 VanDerWaalsContact O-CG 3.28Å; L311-Q315 WeakPolarHBondContact O-CG 3.46Å; L311-Q315 PolarHBondContact O-N 3.4Å; L311-F608 HydrophobicContact CD2-CD2 4.23Å; L311-F608 HydrophobicContact CD2-CE2 3.59Å; L311-F608 HydrophobicContact CG-CD2 3.8Å; L311-F608 HydrophobicContact CG-CE2 3.64Å
312	S	90.8	Very high	88.2	Confident	63 Å²	63	61.3 Å²	61.3	44%	0.441	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-44.2	-179.6	-60.1	0	0	0	0	111.5	F308 L309 V310 Q315 I316	F308-S312 VanDerWaalsContact O-CB 3.28Å; F308-S312 WeakPolarHBondContact O-CB 3.47Å; F308-S312 PolarHBondContact O-N 2.96Å; F308-S312 PolarHBondContact O-OG 3.26Å; L309-S312 WeakPolarHBondContact O-CB 3.25Å; L309-S312 PolarHBondContact O-N 3.27Å; V310-S312 VanDerWaalsContact C-N 3.26Å; V310-S312 PolarHBondContact O-N 3Å; S312-Q315 PolarHBondContact O-N 3.37Å; S312-I316 WeakPolarHBondContact O-CB 3.43Å; S312-I316 WeakPolarHBondContact O-CD1 3.17Å; S312-I316 WeakPolarHBondContact O-CG1 3.46Å; S312-I316 PolarHBondContact O-N 3.2Å
313	I	86.9	Confident	86.8	Confident	60 Å²	60	65 Å²	65	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-46.8	175.3	-71.3	173.7	0	0	0	111.2	L309 V310 L311 I317 L486	L309-I313 HydrophobicContact CD2-CD1 3.65Å; L309-I313 HydrophobicContact CD2-CG1 4.49Å; L309-I313 WeakPolarHBondContact O-CG1 3.28Å; L309-I313 PolarHBondContact O-N 3.07Å; V310-I313 PolarHBondContact O-N 3.38Å; L311-I313 PolarHBondContact O-N 3.34Å; I313-I317 HydrophobicContact CG2-CD1 3.79Å; I313-I317 WeakPolarHBondContact O-CB 3.44Å; I313-I317 WeakPolarHBondContact O-CD1 3.46Å; I313-I317 VanDerWaalsContact O-CG1 3.3Å; I313-I317 WeakPolarHBondContact O-CG1 2.99Å; I313-I317 PolarHBondContact O-N 3.49Å; I313-L486 HydrophobicContact CG2-CD1 4.26Å
314	E	83.6	Confident	85.2	Confident	39 Å²	39	70.1 Å²	70.1	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-49.2	-179.9	-160.7	-130.3	158.2	0	0	111.3	V310 L311 I317 W318	V310-E314 PolarHBondContact O-N 3.43Å; L311-E314 PolarHBondContact O-N 3.01Å; E314-I317 PolarHBondContact O-N 3.38Å; E314-W318 VanDerWaalsContact O-CD1 3.25Å; E314-W318 PolarHBondContact O-N 3.42Å; E314-W318 PolarHBondContact OE1-NE1 3.45Å
315	Q	88.2	Confident	83.3	Confident	94 Å²	94	74.1 Å²	74.1	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-70.6	-34.9	-178.3	-61.3	-53.6	-52.9	0	0	112.9	L311 S312 I317 T319	L311-Q315 WeakPolarHBondContact O-CB 3.38Å; L311-Q315 VanDerWaalsContact O-CG 3.28Å; L311-Q315 WeakPolarHBondContact O-CG 3.46Å; L311-Q315 PolarHBondContact O-N 3.4Å; S312-Q315 PolarHBondContact O-N 3.37Å; Q315-I317 VanDerWaalsContact C-N 3.28Å; Q315-I317 PolarHBondContact O-N 2.93Å; Q315-T319 VanDerWaalsContact O-CB 3.31Å; Q315-T319 WeakPolarHBondContact O-CB 3.35Å; Q315-T319 PolarHBondContact O-N 3.38Å; Q315-T319 PolarHBondContact O-OG1 2.84Å
316	I	87.3	Confident	81.4	Confident	113 Å²	113	76.4 Å²	76.4	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-60.2	-41.1	170.4	-74.5	166	0	0	0	110.2	S312 T319 A320	S312-I316 WeakPolarHBondContact O-CB 3.43Å; S312-I316 WeakPolarHBondContact O-CD1 3.17Å; S312-I316 WeakPolarHBondContact O-CG1 3.46Å; S312-I316 PolarHBondContact O-N 3.2Å; I316-T319 PolarHBondContact O-N 2.86Å; I316-A320 VanDerWaalsContact O-CB 3.23Å; I316-A320 WeakPolarHBondContact O-CB 3.2Å; I316-A320 PolarHBondContact O-N 3.24Å
317	I	82.9	Confident	79.5	Confident	55 Å²	55	80.9 Å²	80.9	28%	0.282	42%	0.419	S	S	.	.	H	α-helix	trans	-72.4	-40.1	-178.1	-77.1	170.3	0	0	0	112	I313 E314 Q315 K321 F478 L482	I313-I317 HydrophobicContact CG2-CD1 3.79Å; I313-I317 WeakPolarHBondContact O-CB 3.44Å; I313-I317 WeakPolarHBondContact O-CD1 3.46Å; I313-I317 VanDerWaalsContact O-CG1 3.3Å; I313-I317 WeakPolarHBondContact O-CG1 2.99Å; I313-I317 PolarHBondContact O-N 3.49Å; E314-I317 PolarHBondContact O-N 3.38Å; Q315-I317 VanDerWaalsContact C-N 3.28Å; Q315-I317 PolarHBondContact O-N 2.93Å; I317-K321 WeakPolarHBondContact O-CB 3.12Å; I317-K321 PolarHBondContact O-N 3.15Å; I317-K321 VanDerWaalsContact O-N 3.11Å; I317-F478 HydrophobicContact CD1-CE1 4.36Å; I317-F478 HydrophobicContact CG2-CD1 3.9Å; I317-F478 HydrophobicContact CG2-CE1 3.64Å; I317-L482 HydrophobicContact CD1-CD1 3.32Å; I317-L482 HydrophobicContact CG2-CD1 4.38Å
318	W	79.3	Confident	77.7	Confident	144 Å²	144	83.2 Å²	83.2	55%	0.545	44%	0.439	S	S	.	.	H	α-helix	trans	-58.9	-46.7	169	-81.7	109.1	0	0	0	111.9	E314 K321 S322	E314-W318 VanDerWaalsContact O-CD1 3.25Å; E314-W318 PolarHBondContact O-N 3.42Å; E314-W318 PolarHBondContact OE1-NE1 3.45Å; W318-K321 PolarHBondContact O-N 2.98Å; W318-S322 PolarHBondContact O-N 2.87Å
319	T	85	Confident	75.8	Confident	78 Å²	78	82.4 Å²	82.4	48%	0.479	45%	0.448	S	S	.	.	H	α-helix	trans	-69.3	-41.1	-177.7	-54.9	0	0	0	0	112.6	Q315 I316 K321 S322 N323	Q315-T319 VanDerWaalsContact O-CB 3.31Å; Q315-T319 WeakPolarHBondContact O-CB 3.35Å; Q315-T319 PolarHBondContact O-N 3.38Å; Q315-T319 PolarHBondContact O-OG1 2.84Å; I316-T319 PolarHBondContact O-N 2.86Å; T319-K321 PolarHBondContact O-N 3.49Å; T319-S322 PolarHBondContact O-N 3.33Å; T319-S322 PolarHBondContact O-OG 3.45Å; T319-N323 VanDerWaalsContact O-CG 3.3Å; T319-N323 PolarHBondContact O-N 3.01Å; T319-N323 PolarHBondContact O-ND2 2.91Å; T319-N323 PolarHBondContact O-OD1 3.5Å
320	A	83	Confident	73.8	Confident	54 Å²	54	88.8 Å²	88.8	45%	0.446	47%	0.466	S	S	.	.	H	α-helix	trans	-61.8	-35	173.8	0	0	0	0	0	111.2	I316	I316-A320 VanDerWaalsContact O-CB 3.23Å; I316-A320 WeakPolarHBondContact O-CB 3.2Å; I316-A320 PolarHBondContact O-N 3.24Å
321	K	72.2	Confident	71.8	Confident	51 Å²	51	99.2 Å²	99.2	22%	0.222	51%	0.505	C	S	.	.	H	α-helix	trans	-75	-40.6	178.3	-167.6	154.6	-171.2	156.8	0	113.1	I317 W318 T319 N323 Q324 A475	I317-K321 WeakPolarHBondContact O-CB 3.12Å; I317-K321 PolarHBondContact O-N 3.15Å; I317-K321 VanDerWaalsContact O-N 3.11Å; W318-K321 PolarHBondContact O-N 2.98Å; T319-K321 PolarHBondContact O-N 3.49Å; K321-N323 PolarHBondContact O-N 3.22Å; K321-Q324 PolarHBondContact O-N 3.26Å; K321-Q324 VanDerWaalsContact O-N 3.1Å; K321-A475 HydrophobicContact CD-CB 4.28Å
322	S	74.5	Confident	70	Confident	64 Å²	64	102.9 Å²	102.9	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-56.7	-37.2	177	55.7	0	0	0	0	112.3	W318 T319 Q324 W325	W318-S322 PolarHBondContact O-N 2.87Å; T319-S322 PolarHBondContact O-N 3.33Å; T319-S322 PolarHBondContact O-OG 3.45Å; S322-Q324 VanDerWaalsContact C-N 3.3Å; S322-Q324 PolarHBondContact O-N 2.97Å; S322-W325 PolarHBondContact O-N 3.06Å
323	N	66	Low	68.2	Low	97 Å²	97	104 Å²	104	52%	0.519	53%	0.533	S	S	.	.	H	α-helix	trans	-74.3	-17.1	-177.7	-61.3	-5.9	0	0	0	113.6	T319 K321 T326	T319-N323 VanDerWaalsContact O-CG 3.3Å; T319-N323 PolarHBondContact O-N 3.01Å; T319-N323 PolarHBondContact O-ND2 2.91Å; T319-N323 PolarHBondContact O-OD1 3.5Å; K321-N323 PolarHBondContact O-N 3.22Å; N323-T326 PolarHBondContact O-OG1 3.45Å
324	Q	61.9	Low	66.4	Low	119 Å²	119	107.8 Å²	107.8	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-77.2	-35.4	173.6	-70.4	178.7	-10.1	0	0	111.9	K321 S322 T326 C327 C328	K321-Q324 PolarHBondContact O-N 3.26Å; K321-Q324 VanDerWaalsContact O-N 3.1Å; S322-Q324 VanDerWaalsContact C-N 3.3Å; S322-Q324 PolarHBondContact O-N 2.97Å; Q324-T326 PolarHBondContact O-N 2.96Å; Q324-C327 PolarHBondContact O-N 2.74Å; Q324-C328 PolarHBondContact O-N 3.37Å; Q324-C328 PolarHBondContact O-SG 2.91Å
325	W	56.5	Low	65	Low	175 Å²	175	111.1 Å²	111.1	66%	0.663	58%	0.577	S	S	*	*	H	α-helix	trans	-67.6	-38.2	-176.1	-71.9	52.1	0	0	0	111.5	S322 C327 S329	S322-W325 PolarHBondContact O-N 3.06Å; W325-C327 VanDerWaalsContact C-N 3.32Å; W325-C327 PolarHBondContact O-N 3.46Å; W325-S329 WeakPolarHBondContact O-CB 3.18Å; W325-S329 PolarHBondContact O-N 2.87Å
326	T	58.1	Low	63	Low	105 Å²	105	111.6 Å²	111.6	64%	0.644	59%	0.591	S	S	*	*	H	α-helix	trans	-65	-30.9	175.2	47.1	0	0	0	0	113.3	N323 Q324	N323-T326 PolarHBondContact O-OG1 3.45Å; Q324-T326 PolarHBondContact O-N 2.96Å
327	C	53.1	Low	61.1	Low	94 Å²	94	116 Å²	116	64%	0.635	61%	0.609	S	S	*	*	H	α-helix	trans	-82.5	-47.1	176	-72.6	0	0	0	0	113.1	Q324 W325 S329 R330	Q324-C327 PolarHBondContact O-N 2.74Å; W325-C327 VanDerWaalsContact C-N 3.32Å; W325-C327 PolarHBondContact O-N 3.46Å; C327-S329 PolarHBondContact O-N 2.8Å; C327-R330 PolarHBondContact O-N 2.81Å
328	C	56.7	Low	59.2	Low	93 Å²	93	117 Å²	117	63%	0.628	63%	0.625	S	S	*	*	H	α-helix	trans	-66.5	-37	-175.4	-69.6	0	0	0	0	112.8	Q324 R330 R331	Q324-C328 PolarHBondContact O-N 3.37Å; Q324-C328 PolarHBondContact O-SG 2.91Å; C328-R330 PolarHBondContact O-N 3.4Å; C328-R330 VanDerWaalsContact O-N 3.12Å; C328-R331 PolarHBondContact O-N 3.3Å
329	S	55.8	Low	57.4	Low	99 Å²	99	118.8 Å²	118.8	69%	0.692	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-19.5	-178.6	-167.1	0	0	0	0	114	W325 C327	W325-S329 WeakPolarHBondContact O-CB 3.18Å; W325-S329 PolarHBondContact O-N 2.87Å; C327-S329 PolarHBondContact O-N 2.8Å
330	R	49.9	Very low	55.6	Low	218 Å²	218	123 Å²	123	82%	0.823	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-9.9	-178.4	-158.9	174.3	-174.3	-177.1	3	113.9	C327 C328	C327-R330 PolarHBondContact O-N 2.81Å; C328-R330 PolarHBondContact O-N 3.4Å; C328-R330 VanDerWaalsContact O-N 3.12Å
331	R	45.1	Very low	53.9	Low	222 Å²	222	130.8 Å²	130.8	84%	0.838	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-21.2	-174.8	-168	171.4	174.8	108.1	-1.4	114.2	C328	C328-R331 PolarHBondContact O-N 3.3Å
332	N	53.4	Low	52.5	Low	123 Å²	123	131.3 Å²	131.3	66%	0.658	68%	0.682	S	S	*	*	S	Bend	trans	-101.1	3.8	-168.6	-149.6	38	0	0	0	115.1	N334	N332-N334 VanDerWaalsContact C-N 3.27Å; N332-N334 PolarHBondContact O-N 2.69Å
333	S	52.4	Low	51.1	Low	88 Å²	88	130.7 Å²	130.7	62%	0.615	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-11.2	-177.7	47.5	0	0	0	0	114.9
334	N	48.6	Very low	49.9	Very low	138 Å²	138	129.1 Å²	129.1	74%	0.738	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	12.5	-160.9	-62.6	12.5	0	0	0	114	N332	N332-N334 VanDerWaalsContact C-N 3.27Å; N332-N334 PolarHBondContact O-N 2.69Å
335	T	54.4	Low	48.8	Very low	110 Å²	110	125.9 Å²	125.9	68%	0.675	65%	0.653	S	S	*	*	S	Bend	trans	-130.3	-12.1	-159.5	-51.6	0	0	0	0	115.7
336	S	46.6	Very low	47.8	Very low	103 Å²	103	119 Å²	119	72%	0.72	63%	0.632	S	S	*	*			trans	-116.6	25.5	-166.2	-54.9	0	0	0	0	116.3	A338	S336-A338 PolarHBondContact O-N 2.69Å; S336-A338 VanDerWaalsContact O-N 3.09Å
337	Q	47.7	Very low	46.7	Very low	207 Å²	207	120.8 Å²	120.8	97%	0.967	64%	0.638	S	S	*	*			trans	-80	31.7	176.6	-68.4	-172.1	-13.2	0	0	114
338	A	43.4	Very low	45.9	Very low	75 Å²	75	123.1 Å²	123.1	62%	0.62	64%	0.639	S	S	*	*	S	Bend	trans	-140.7	114.8	-171.4	0	0	0	0	0	114.1	S336	S336-A338 PolarHBondContact O-N 2.69Å; S336-A338 VanDerWaalsContact O-N 3.09Å
339	L	40.7	Very low	45.1	Very low	182 Å²	182	124.4 Å²	124.4	95%	0.953	64%	0.64	S	S	*	*			trans	71.7	133.5	159.4	-50.4	173.9	0	0	0	117.6
340	H	47.8	Very low	44.2	Very low	166 Å²	166	124.9 Å²	124.9	77%	0.769	63%	0.634	S	S	*	*			trans	-152.8	159.5	-172.5	-171.4	-46.8	0	0	0	109.7	D342	H340-D342 IonicContact CE1-OD2 3.17Å; H340-D342 PolarHBondContact CE1-OD2 2.65Å; H340-D342 IonicContact ND1-OD2 2.96Å; H340-D342 PolarHBondContact ND1-OD2 2.99Å
341	R	46.6	Very low	43.7	Very low	217 Å²	217	122.2 Å²	122.2	82%	0.819	63%	0.626	S	S	*	*			trans	85.5	115.8	176.5	-92	173.4	172.8	150	-1.8	113.9
342	D	44.4	Very low	43.3	Very low	63 Å²	63	117.5 Å²	117.5	34%	0.337	62%	0.617	S	S	.	*			cis	61.7	113	37	-26.4	-63.5	0	0	0	113	H340 H463	H340-D342 IonicContact CE1-OD2 3.17Å; H340-D342 PolarHBondContact CE1-OD2 2.65Å; H340-D342 IonicContact ND1-OD2 2.96Å; H340-D342 PolarHBondContact ND1-OD2 2.99Å; D342-H463 IonicContact OD1-CD2 2.81Å; D342-H463 PolarHBondContact OD1-CD2 3.01Å; D342-H463 VanDerWaalsContact OD1-CD2 3.31Å; D342-H463 IonicContact OD1-NE2 2.69Å; D342-H463 PolarHBondContact OD1-NE2 3.12Å
343	S	44.8	Very low	42.4	Very low	50 Å²	50	120.2 Å²	120.2	35%	0.35	62%	0.623	S	S	.	*			cis	78.3	154.9	-8.1	-120.7	0	0	0	0	116.2	D146 N147 H463	D146-S343 VanDerWaalsContact OD1-CA 3.23Å; D146-S343 WeakPolarHBondContact OD1-CA 3.42Å; D146-S343 VanDerWaalsContact OD2-CA 3.29Å; D146-S343 WeakPolarHBondContact OD2-CA 3.39Å; D146-S343 PolarHBondContact OD2-N 3.16Å; N147-S343 PolarHBondContact ND2-N 3.23Å; N147-S343 PolarHBondContact ND2-O 3.08Å; N147-S343 PolarHBondContact OD1-O 3.33Å; S343-H463 VanDerWaalsContact C-CG 3.45Å; S343-H463 WeakPolarHBondContact O-CB 3.37Å; S343-H463 PolarHBondContact O-CD2 2.89Å; S343-H463 PolarHBondContact O-ND1 3.43Å; S343-H463 VanDerWaalsContact O-ND1 3.11Å
344	L	39.8	Very low	41.4	Very low	64 Å²	64	120 Å²	120	34%	0.335	61%	0.613	S	S	.	*			cis	-159.9	-131	3.1	-147.2	173	0	0	0	110.7	Y144 D146 A462 H463	Y144-L344 HydrophobicContact CD1-CD2 4.04Å; Y144-L344 HydrophobicContact CE1-CD2 4.48Å; D146-L344 VanDerWaalsContact CA-O 3.25Å; D146-L344 WeakPolarHBondContact CA-O 3.27Å; D146-L344 PolarHBondContact N-O 3.44Å; D146-L344 WeakPolarHBondContact OD1-CA 3.48Å; D146-L344 PolarHBondContact OD1-N 3.47Å; L344-A462 CarbonylContact C-O 2.81Å; L344-A462 PolarHBondContact N-O 3.46Å; L344-A462 CarbonylContact O-C 3.41Å; L344-A462 PolarHBondContact O-N 2.9Å; L344-H463 WeakPolarHBondContact CB-ND1 3.49Å; L344-H463 PolarHBondContact N-ND1 3.18Å
345	H	39.4	Very low	40.6	Very low	51 Å²	51	115.2 Å²	115.2	24%	0.236	59%	0.59	C	S	.	*			trans	61.7	-157.7	170.3	-92.6	-176.1	0	0	0	115.8	A145 N461 A462 H463 H464	A145-H345 WeakPolarHBondContact CA-O 3.38Å; H345-N461 CarbonylContact C-O 3.48Å; H345-A462 HydrophobicContact CB-CB 4.06Å; H345-A462 VanDerWaalsContact CB-N 3.25Å; H345-H463 PolarHBondContact CE1-O 3.47Å; H345-H463 VanDerWaalsContact CE1-O 3.31Å; H345-H463 PolarHBondContact ND1-N 3.34Å; H345-H463 PolarHBondContact ND1-O 2.99Å; H345-H464 AromaticContact CD2-CD2 3.38Å; H345-H464 PolarHBondContact CD2-CD2 3.46Å; H345-H464 AromaticContact CD2-NE2 3.53Å; H345-H464 AromaticContact CE1-CD2 3.95Å; H345-H464 AromaticContact NE2-CD2 3.03Å; H345-H464 PolarHBondContact NE2-CD2 2.89Å; H345-H464 AromaticContact NE2-CE1 3.73Å; H345-H464 AromaticContact NE2-CG 3.75Å; H345-H464 AromaticContact NE2-NE2 3.01Å; H345-H464 PolarHBondContact NE2-NE2 2.98Å
346	S	34.7	Very low	39.3	Very low	32 Å²	32	115.7 Å²	115.7	22%	0.224	59%	0.588	C	S	.	*				-165.9	179.8	-73.8	80.7	0	0	0	0	107.8	N461	S346-N461 VanDerWaalsContact C-OD1 3.28Å; S346-N461 PolarHBondContact N-O 3.27Å; S346-N461 WeakPolarHBondContact O-CB 3.28Å; S346-N461 PolarHBondContact O-OD1 2.83Å; S346-N461 PolarHBondContact OG-OD1 3.31Å
347	N	35	Very low	38.6	Very low	142 Å²	142	114.4 Å²	114.4	76%	0.759	59%	0.591	S	S	*	*			cis	-135.4	-149.5	-9.7	-128.5	-14	0	0	0	105.7
348	E	37.5	Very low	37.6	Very low	143 Å²	143	111.9 Å²	111.9	67%	0.668	58%	0.584	S	S	*	*			cis	-171.8	152.5	40.8	-110.2	-162.6	110	0	0	110.9
349	N	38.9	Very low	36.8	Very low	120 Å²	120	115.9 Å²	115.9	64%	0.642	59%	0.588	S	S	*	*			trans	68.3	166.4	148.4	-53.7	-20.3	0	0	0	118.1
350	D	37.9	Very low	36.2	Very low	108 Å²	108	115.6 Å²	115.6	58%	0.578	58%	0.575	S	S	*	*			cis	-161.8	178	14.6	-153.3	-23	0	0	0	113.4
351	Y	38.5	Very low	35.3	Very low	163 Å²	163	114.7 Å²	114.7	64%	0.639	58%	0.575	S	S	*	*			trans	113.2	124.7	136.6	-68.7	-45.2	0	0	0	124.5
352	N	36	Very low	34.4	Very low	123 Å²	123	110.3 Å²	110.3	66%	0.658	57%	0.569	S	S	*	*			trans	76.7	160.6	137.1	-64.9	-20.5	0	0	0	120.4
353	F	34.7	Very low	33.7	Very low	179 Å²	179	112.7 Å²	112.7	79%	0.785	58%	0.581	S	S	*	*			cis	-167.4	-177.4	7.9	-127	-153.5	0	0	0	108.6
354	E	32.9	Very low	33	Very low	85 Å²	85	116 Å²	116	40%	0.397	60%	0.595	S	S	.	*			cis	-169.9	146.7	-35	-142.2	-54.2	86.8	0	0	109.7	N93 Q234	N93-E354 PolarHBondContact ND2-O 3.2Å; Q234-E354 PolarHBondContact NE2-OE1 3.41Å
355	S	31.1	Very low	32.8	Very low	36 Å²	36	120.1 Å²	120.1	25%	0.252	62%	0.617	S	S	.	*			trans	-174.5	120.1	157.1	-159.2	0	0	0	0	118.2	D92 N93	D92-S355 PolarHBondContact O-OG 3.36Å; N93-S355 VanDerWaalsContact CG-OG 3.27Å; N93-S355 WeakPolarHBondContact ND2-CA 3.49Å; N93-S355 PolarHBondContact ND2-OG 3.42Å
356	N	26.4	Very low	32.4	Very low	120 Å²	120	121.2 Å²	121.2	64%	0.642	63%	0.631	S	S	*	*			trans	41.8	140.4	138.8	-62.6	-51	0	0	0	125.3	N93	N93-N356 PolarHBondContact OD1-ND2 3.17Å
357	G	32.8	Very low	32.4	Very low	76 Å²	76	126.4 Å²	126.4	78%	0.784	66%	0.656	S	S	*	*			trans	154.5	118.5	153.6	0	0	0	0	0	117.9
358	N	26	Very low	32.4	Very low	155 Å²	155	125 Å²	125	83%	0.829	65%	0.649	S	S	*	*			trans	-76.4	148.1	-177.4	-75.5	-6.2	0	0	0	114.4
359	F	26.6	Very low	32.3	Very low	158 Å²	158	125.1 Å²	125.1	69%	0.693	65%	0.654	S	S	*	*			cis	80.4	116.3	46.3	170	-64.6	0	0	0	109.7
360	Y	28.3	Very low	32.1	Very low	176 Å²	176	125.1 Å²	125.1	69%	0.69	65%	0.653	S	S	*	*			cis	-150.6	160.1	39.5	-79.7	174	0	0	0	118.7
361	L	28.4	Very low	32	Very low	147 Å²	147	128 Å²	128	77%	0.77	66%	0.66	S	S	*	*			trans	60.1	159.9	150.3	-62	161.5	0	0	0	119.6
362	D	28.1	Very low	31.8	Very low	126 Å²	126	127.5 Å²	127.5	67%	0.674	66%	0.663	S	S	*	*			cis	-147	-159.8	4.9	-149	42.6	0	0	0	111
363	N	30.8	Very low	31.7	Very low	113 Å²	113	126.7 Å²	126.7	60%	0.604	66%	0.659	S	S	*	*				-162.8	-165.1	-94.6	-162.9	-1.7	0	0	0	111
364	N	30.4	Very low	31.6	Very low	119 Å²	119	125 Å²	125	64%	0.636	65%	0.653	S	S	*	*			trans	29.7	118.7	158	-59.8	-41.4	0	0	0	119.4
365	N	33.7	Very low	31.7	Very low	150 Å²	150	127.7 Å²	127.7	80%	0.802	67%	0.669	S	S	*	*				-157.4	136.1	71.7	-99.3	-26.6	0	0	0	109.9
366	S	31.7	Very low	31.8	Very low	74 Å²	74	131.9 Å²	131.9	52%	0.517	69%	0.693	S	S	.	*				83.5	106.8	56.4	-169.8	0	0	0	0	113.7
367	N	35.5	Very low	32.3	Very low	141 Å²	141	129.6 Å²	129.6	75%	0.754	69%	0.691	S	S	*	*				-173.8	114.6	121.7	-88.8	-28.7	0	0	0	107.8
368	N	34.1	Very low	32.5	Very low	114 Å²	114	133.3 Å²	133.3	61%	0.61	69%	0.693	S	S	*	*				68.6	91.8	81.4	-66.9	-29.6	0	0	0	113
369	N	36.3	Very low	33	Very low	144 Å²	144	134.2 Å²	134.2	77%	0.77	69%	0.692	S	S	*	*				-172.7	132.5	102.5	-84.8	-27.1	0	0	0	110
370	I	34.1	Very low	33.4	Very low	121 Å²	121	134.5 Å²	134.5	62%	0.621	69%	0.693	S	S	*	*			cis	98.9	104.2	46.3	-80.7	178.8	0	0	0	112
371	K	35.1	Very low	33.5	Very low	167 Å²	167	133.5 Å²	133.5	73%	0.726	70%	0.698	S	S	*	*			trans	82.1	133.9	141.1	-76.9	178.6	-166.7	179.4	0	122.5
372	H	33.8	Very low	33.7	Very low	153 Å²	153	129.6 Å²	129.6	71%	0.708	69%	0.688	S	S	*	*			trans	68.8	149.6	146.4	-69.3	-134.6	0	0	0	116.2
373	N	34.5	Very low	33.9	Very low	107 Å²	107	129.5 Å²	129.5	57%	0.572	69%	0.686	S	S	*	*			cis	-148.2	138.8	-12.4	-118.9	18	0	0	0	107.5
374	E	32.3	Very low	33.9	Very low	143 Å²	143	130 Å²	130	67%	0.668	69%	0.685	S	S	*	*				75.7	143.8	88.3	-156.7	-159.6	136.9	0	0	112.9
375	I	35.5	Very low	33.8	Very low	142 Å²	142	128.7 Å²	128.7	73%	0.728	68%	0.678	S	S	*	*			trans	72	133.6	174.5	-47.8	-179.6	0	0	0	114.6
376	T	34.2	Very low	33.5	Very low	123 Å²	123	124.1 Å²	124.1	76%	0.755	66%	0.658	S	S	*	*			cis	-165.3	158.2	-26.9	-95.6	0	0	0	0	106.7
377	A	36.9	Very low	33.5	Very low	73 Å²	73	127.9 Å²	127.9	60%	0.603	67%	0.667	S	S	*	*			trans	71.7	115.9	165.2	0	0	0	0	0	119.5
378	N	35.3	Very low	33.2	Very low	154 Å²	154	128.1 Å²	128.1	82%	0.824	66%	0.664	S	S	*	*				74.5	90.5	128.3	-54.3	-6.1	0	0	0	120.4
379	H	37.4	Very low	33	Very low	174 Å²	174	128.6 Å²	128.6	81%	0.806	67%	0.667	S	S	*	*				79.3	90.3	119.1	-153.2	-89.5	0	0	0	120.4
380	K	34.4	Very low	32.7	Very low	163 Å²	163	126.1 Å²	126.1	71%	0.709	65%	0.653	S	S	*	*				52	102.7	128.6	-156.7	175.2	178.2	-68.7	0	116.9
381	L	30.6	Very low	32.5	Very low	155 Å²	155	126.5 Å²	126.5	81%	0.812	66%	0.655	S	S	*	*				53.2	135.8	88.9	-63	169.4	0	0	0	114.2
382	A	33.8	Very low	32.3	Very low	66 Å²	66	119.4 Å²	119.4	55%	0.545	63%	0.63	S	S	.	*			cis	-162.9	161.4	-10.1	0	0	0	0	0	104.9
383	L	30.8	Very low	32	Very low	123 Å²	123	117.5 Å²	117.5	64%	0.644	62%	0.617	S	S	*	*			cis	69.1	117.3	41.2	-82	177.1	0	0	0	116.2
384	E	31	Very low	31.9	Very low	125 Å²	125	119.7 Å²	119.7	58%	0.584	63%	0.628	S	S	*	*			trans	70.6	105.6	146	-70.1	166.5	139.3	0	0	117.4	L190	L190-E384 HydrophobicContact CD1-CG 4.22Å; L190-E384 HydrophobicContact CD2-CG 4.01Å
385	D	28.1	Very low	31.8	Very low	90 Å²	90	114.6 Å²	114.6	48%	0.481	61%	0.608	S	S	.	*				86.9	155.4	94.5	-130.8	-6.2	0	0	0	110.5	L190	L190-D385 HydrophobicContact CB-CB 4.11Å; L190-D385 HydrophobicContact CD2-CB 4.08Å
386	S	28.6	Very low	31.7	Very low	54 Å²	54	112.4 Å²	112.4	38%	0.378	61%	0.605	S	S	.	*			cis	-162.5	167.5	1.7	-150	0	0	0	0	108.9
387	Q	30.8	Very low	31.9	Very low	153 Å²	153	114.8 Å²	114.8	72%	0.715	61%	0.605	S	S	*	*			trans	63.4	161.6	148.6	-71.7	166.9	17.9	0	0	119.7
388	Q	29	Very low	31.7	Very low	147 Å²	147	118 Å²	118	69%	0.687	61%	0.612	S	S	*	*			cis	-175.6	159.6	-27.5	-174.9	115	-2	0	0	107.2
389	N	29.7	Very low	31.7	Very low	124 Å²	124	117.6 Å²	117.6	66%	0.663	61%	0.606	S	S	*	*			trans	80.2	142.1	164.3	-49	-63.5	0	0	0	116.5
390	N	30.1	Very low	31.6	Very low	91 Å²	91	117.2 Å²	117.2	49%	0.487	60%	0.602	S	S	.	*			cis	-162.1	145.9	-8.4	-115.7	-18.4	0	0	0	112.5	F156	F156-N390 HydrophobicContact CD2-CB 3.43Å; F156-N390 VanDerWaalsContact CD2-CB 3.43Å; F156-N390 HydrophobicContact CE2-CB 3.46Å; F156-N390 VanDerWaalsContact CE2-CB 3.46Å; F156-N390 VanDerWaalsContact CE2-OD1 3.29Å; F156-N390 WeakPolarHBondContact CE2-OD1 3.33Å; F156-N390 HydrophobicContact CG-CB 4.21Å; F156-N390 HydrophobicContact CZ-CB 4.22Å; F156-N390 WeakPolarHBondContact CZ-ND2 3.31Å
391	I	31	Very low	31.7	Very low	130 Å²	130	114.5 Å²	114.5	67%	0.667	60%	0.604	S	S	*	*			trans	-102.8	139.9	-170.3	-75.2	170.7	0	0	0	113.8	F156 Q157 Q158	F156-I391 WeakPolarHBondContact CD2-O 3.19Å; F156-I391 WeakPolarHBondContact CE2-O 3.41Å; Q157-I391 CarbonylContact C-O 3.57Å; Q157-I391 VanDerWaalsContact CA-O 3.3Å; Q157-I391 WeakPolarHBondContact CA-O 3.49Å; Q157-I391 PolarHBondContact N-O 3.41Å; Q157-I391 CarbonylContact O-C 3.43Å; Q158-I391 PolarHBondContact N-O 3.42Å
392	G	29.9	Very low	31.8	Very low	18 Å²	18	114.2 Å²	114.2	19%	0.186	60%	0.603	C	S	.	*	B	Isolated β-bridge		103.4	-162.8	127.6	0	0	0	0	0	121	P155 F156 Q157	P155-G392 CarbonylContact C-O 3.06Å; F156-G392 CarbonylContact C-O 3.39Å; F156-G392 WeakPolarHBondContact CA-O 3.17Å; F156-G392 PolarHBondContact N-O 2.72Å; F156-G392 VanDerWaalsContact N-O 3.09Å; Q157-G392 PolarHBondContact N-O 2.96Å; Q157-G392 CarbonylContact O-C 2.88Å; Q157-G392 VanDerWaalsContact O-C 3.24Å; Q157-G392 WeakPolarHBondContact O-CA 3.26Å
393	Y	28.6	Very low	32	Very low	112 Å²	112	115.6 Å²	115.6	44%	0.439	61%	0.614	S	S	.	*			trans	-148.7	171.8	176.6	-47.2	-66.5	0	0	0	109.7	V154 P155 Q157	V154-Y393 HydrophobicContact CB-CE1 4.12Å; V154-Y393 WeakPolarHBondContact CB-OH 3.39Å; V154-Y393 HydrophobicContact CG1-CD1 4.22Å; V154-Y393 HydrophobicContact CG1-CE1 3.53Å; V154-Y393 HydrophobicContact CG1-CE2 4.26Å; V154-Y393 PolarHBondContact O-OH 3.41Å; P155-Y393 VanDerWaalsContact C-CE1 3.45Å; P155-Y393 HydrophobicContact CG-CE1 4.07Å; P155-Y393 VanDerWaalsContact N-CE1 3.31Å; P155-Y393 PolarHBondContact O-OH 2.98Å; Q157-Y393 PolarHBondContact O-N 2.9Å
394	L	31.9	Very low	32.2	Very low	154 Å²	154	118.8 Å²	118.8	81%	0.806	62%	0.623	S	S	*	*			trans	70.5	74.7	161	-61.5	153.9	0	0	0	115.5
395	S	30.5	Very low	32	Very low	35 Å²	35	124.7 Å²	124.7	25%	0.245	64%	0.64	C	S	.	*			trans	-145.6	113.6	151.1	-164.7	0	0	0	0	109.1	Q157 Q159	Q157-S395 PolarHBondContact NE2-O 3.18Å; Q159-S395 VanDerWaalsContact OE1-CB 3.26Å; Q159-S395 PolarHBondContact OE1-OG 3.49Å
396	S	32.9	Very low	32.5	Very low	96 Å²	96	125 Å²	125	67%	0.671	65%	0.647	S	S	*	*			cis	67.9	66.8	20.9	-162.6	0	0	0	0	115.6
397	K	38.5	Very low	32.7	Very low	173 Å²	173	127.5 Å²	127.5	75%	0.752	66%	0.664	S	S	*	*			trans	97.2	132.5	154	-60.3	176.7	179	176.5	0	118.9
398	L	33.4	Very low	33	Very low	142 Å²	142	129.2 Å²	129.2	74%	0.743	67%	0.669	S	S	*	*			trans	73.1	120.6	144.3	-95.7	66.6	0	0	0	121.5
399	M	35.8	Very low	33.1	Very low	144 Å²	144	129.2 Å²	129.2	71%	0.709	67%	0.674	S	S	*	*				54.5	145.1	123.1	-71.5	171.7	50	0	0	120.9
400	K	33.8	Very low	33.4	Very low	166 Å²	166	127.7 Å²	127.7	72%	0.722	67%	0.672	S	S	*	*			cis	-172.7	150.4	-11.7	-121.6	176.7	-172.5	178.4	0	109.1
401	S	36.4	Very low	33.6	Very low	106 Å²	106	130.6 Å²	130.6	74%	0.741	69%	0.688	S	S	*	*			trans	65.9	167.7	154.9	87.8	0	0	0	0	116.8
402	N	33.8	Very low	33.9	Very low	150 Å²	150	128.8 Å²	128.8	80%	0.802	69%	0.692	S	S	*	*			cis	-168.5	161.2	-26	-112.9	-10.9	0	0	0	109.7
403	A	38.3	Very low	34.1	Very low	94 Å²	94	133.3 Å²	133.3	78%	0.777	72%	0.717	S	S	*	*			trans	66.8	157.2	146	0	0	0	0	0	120.2
404	K	34.9	Very low	34.3	Very low	190 Å²	190	134.8 Å²	134.8	83%	0.826	73%	0.732	S	S	*	*			cis	-170	137.8	-22.4	173.7	175.7	-174.5	178.2	0	108.9
405	R	27.1	Very low	34.3	Very low	250 Å²	250	133 Å²	133	94%	0.943	73%	0.728	S	S	*	*			trans	-125.2	129.3	174.7	-163.8	-172	-159.7	-168.4	9	110.3
406	P	38.4	Very low	34.5	Very low	96 Å²	96	135.4 Å²	135.4	62%	0.623	74%	0.744	S	S	*	*			trans	-137.6	168.1	172.8	40	-25.7	0	0	0	116.3
407	S	32.7	Very low	34.4	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	75%	0.749	S	S	*	*			trans	74.2	141.3	169.2	88.7	0	0	0	0	115.7
408	K	36.9	Very low	34.2	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	75%	0.745	S	S	*	*			cis	-131.5	175.7	1.6	-54	168.1	-176.2	175.2	0	107.6
409	L	31.2	Very low	34.1	Very low	148 Å²	148	135.8 Å²	135.8	78%	0.775	75%	0.747	S	S	*	*			cis	-162.1	158.4	11.7	-170.7	62	0	0	0	109.2
410	S	35.9	Very low	34.1	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	75%	0.747	S	S	*	*			trans	60.6	143.7	157.5	46	0	0	0	0	119.5
411	N	34.2	Very low	34.2	Very low	153 Å²	153	133.3 Å²	133.3	82%	0.818	76%	0.755	S	S	*	*			cis	-158	158.1	-0.3	-106.6	-5.3	0	0	0	111.4
412	A	36.1	Very low	33.7	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	76%	0.757	S	S	*	*			trans	67.7	149.1	154.5	0	0	0	0	0	119.9
413	T	33.9	Very low	33.7	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	76%	0.76	S	S	*	*			cis	-170.4	148	-16.4	-93.8	0	0	0	0	109.5
414	N	34.4	Very low	33.1	Very low	143 Å²	143	135 Å²	135	77%	0.765	76%	0.76	S	S	*	*			trans	67.1	144.4	164.1	-75.2	2.2	0	0	0	119.3
415	T	31.1	Very low	33.4	Very low	117 Å²	117	130.9 Å²	130.9	72%	0.718	75%	0.753	S	S	*	*			cis	-161	166.4	-15	2.1	0	0	0	0	110.6
416	S	34.9	Very low	33.5	Very low	84 Å²	84	125.3 Å²	125.3	59%	0.587	75%	0.747	S	S	*	*			trans	66.8	114	154.4	-68	0	0	0	0	118.3
417	E	30.9	Very low	33.3	Very low	163 Å²	163	125.5 Å²	125.5	76%	0.762	75%	0.751	S	S	*	*				84.9	141.7	87.5	-79.8	168.6	96.8	0	0	113.1
418	L	34.4	Very low	33.2	Very low	131 Å²	131	125.1 Å²	125.1	69%	0.686	75%	0.748	S	S	*	*			cis	-142	123.3	6.1	-93.4	127.9	0	0	0	109.1
419	T	31.6	Very low	33.1	Very low	126 Å²	126	125.2 Å²	125.2	77%	0.773	75%	0.751	S	S	*	*				66.5	151.6	111.5	62.4	0	0	0	0	119.7
420	P	34.9	Very low	33.2	Very low	111 Å²	111	123.2 Å²	123.2	72%	0.721	75%	0.749	S	S	*	*			trans	-116.2	-178.6	-153.9	43.8	-33.9	0	0	0	115.8
421	V	36.2	Very low	33.2	Very low	146 Å²	146	121.7 Å²	121.7	89%	0.885	75%	0.748	S	S	*	*			trans	-138.9	129.9	160.3	-179.4	0	0	0	0	110.1
422	D	26.9	Very low	33.1	Very low	146 Å²	146	121 Å²	121	78%	0.781	74%	0.744	S	S	*	*			trans	-87.9	162.1	176.9	-65.7	-79	0	0	0	113.4
423	C	32.9	Very low	32.7	Very low	128 Å²	128	123.2 Å²	123.2	87%	0.865	74%	0.743	S	S	*	*			trans	-159.9	126	141.4	-128.2	0	0	0	0	113.6
424	S	25.9	Very low	32.5	Very low	111 Å²	111	127 Å²	127	78%	0.776	75%	0.75	S	S	*	*			trans	-157.7	-179.1	171.6	-68.3	0	0	0	0	105.7
425	P	39.9	Very low	32.2	Very low	105 Å²	105	126.8 Å²	126.8	68%	0.682	75%	0.748	S	S	*	*			cis	-134.1	-156.5	-1.9	30.2	-4.9	0	0	0	112.8
426	T	29.6	Very low	32.1	Very low	133 Å²	133	128 Å²	128	82%	0.816	75%	0.75	S	S	*	*			trans	79	149.1	165	77.5	0	0	0	0	116.9
427	S	34.7	Very low	32	Very low	100 Å²	100	131 Å²	131	70%	0.699	76%	0.755	S	S	*	*			cis	-145.4	137.7	12.5	60.4	0	0	0	0	116.2
428	S	31.4	Very low	32.1	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	75%	0.748	S	S	*	*			trans	54.6	105.4	138.1	63.6	0	0	0	0	123.5
429	H	35	Very low	31.9	Very low	190 Å²	190	128.1 Å²	128.1	88%	0.88	75%	0.752	S	S	*	*				171.3	149.7	126.9	-97.5	-77.5	0	0	0	108.9
430	S	33.6	Very low	31.9	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	75%	0.749	S	S	*	*			cis	-175.2	131.8	-28.9	-179	0	0	0	0	108.9
431	G	35.2	Very low	31.7	Very low	59 Å²	59	127.7 Å²	127.7	61%	0.608	74%	0.741	S	S	*	*			trans	98.8	111.8	-177.3	0	0	0	0	0	112.1
432	N	30.8	Very low	31.4	Very low	138 Å²	138	131 Å²	131	74%	0.738	74%	0.737	S	S	*	*			cis	70.7	139.6	26.9	-46.6	75.6	0	0	0	114.5
433	D	27.8	Very low	31.5	Very low	138 Å²	138	130.6 Å²	130.6	74%	0.738	74%	0.736	S	S	*	*			cis	-174.3	108.6	-23.7	-91.1	-40.5	0	0	0	107.6
434	F	30.8	Very low	31.5	Very low	193 Å²	193	132.6 Å²	132.6	85%	0.846	73%	0.732	S	S	*	*			trans	-170	136.2	171.6	-131.5	-134.5	0	0	0	109.3
435	L	28.7	Very low	32	Very low	138 Å²	138	133 Å²	133	72%	0.723	73%	0.729	S	S	*	*			cis	74	115.5	22.6	-68.3	-179.7	0	0	0	117.3
436	L	28.7	Very low	31.6	Very low	144 Å²	144	134.5 Å²	134.5	75%	0.754	73%	0.727	S	S	*	*			trans	64.1	159.7	168.9	-70.6	141	0	0	0	113.9
437	E	32.6	Very low	32.1	Very low	146 Å²	146	135.7 Å²	135.7	68%	0.682	72%	0.723	S	S	*	*			cis	-153.1	133.5	35.2	173.9	56.1	-155.8	0	0	113.1
438	S	32.7	Very low	32.2	Very low	89 Å²	89	135.2 Å²	135.2	62%	0.622	72%	0.716	S	S	*	*			trans	62.6	162.7	163.3	86.7	0	0	0	0	118.5
439	N	30.2	Very low	32.4	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	71%	0.708	S	S	*	*			cis	-138.3	148.3	-12.2	-145.1	-15.2	0	0	0	113.1
440	I	32.1	Very low	32.8	Very low	139 Å²	139	129.6 Å²	129.6	71%	0.713	68%	0.682	S	S	*	*			trans	-70.2	141	172.9	-56.1	154.8	0	0	0	108.3
441	T	29.9	Very low	32.9	Very low	90 Å²	90	128.4 Å²	128.4	55%	0.552	67%	0.673	S	S	*	*				168.7	125.9	118.5	42.4	0	0	0	0	115.1
442	R	30.7	Very low	33.4	Very low	214 Å²	214	128.9 Å²	128.9	81%	0.808	66%	0.66	S	S	*	*			trans	63	146.8	132.1	-61.8	166.6	-169.9	136.1	6.4	118.5
443	N	28	Very low	33.9	Very low	139 Å²	139	128.8 Å²	128.8	74%	0.743	66%	0.659	S	S	*	*			cis	155.1	143.2	-13.4	-96.1	7.2	0	0	0	103.7
444	H	33.1	Very low	34.7	Very low	169 Å²	169	127.2 Å²	127.2	78%	0.782	65%	0.651	S	S	*	*			trans	63.7	155.1	168.8	-89.9	-99.7	0	0	0	115.2	E446	H444-E446 IonicContact ND1-OE2 3.91Å
445	V	35.7	Very low	35.3	Very low	120 Å²	120	122.2 Å²	122.2	73%	0.727	63%	0.633	S	S	*	*			cis	-134.9	168.4	14.5	178.4	0	0	0	0	110.3
446	E	32.1	Very low	36	Very low	136 Å²	136	118.6 Å²	118.6	64%	0.636	61%	0.614	S	S	*	*			trans	-44.1	176.1	157.4	-55.5	110.9	98.3	0	0	115.2	H444	H444-E446 IonicContact ND1-OE2 3.91Å
447	H	39.5	Very low	36.7	Very low	159 Å²	159	114.8 Å²	114.8	74%	0.736	59%	0.594	S	S	*	*			cis	-160.6	173.9	32.5	-144.9	-78.7	0	0	0	113.9
448	T	36.9	Very low	37.3	Very low	89 Å²	89	114.2 Å²	114.2	55%	0.546	60%	0.596	S	S	.	*			trans	-110.6	-178.5	-167.9	44.1	0	0	0	0	115.8
449	D	35.4	Very low	37.7	Very low	98 Å²	98	116.5 Å²	116.5	52%	0.524	60%	0.602	S	S	.	*			trans	92.1	170.8	150.5	-49.9	-51.9	0	0	0	122
450	H	43.5	Very low	38.5	Very low	72 Å²	72	115.7 Å²	115.7	33%	0.333	59%	0.593	S	S	.	*				-179.1	133.8	-79.1	-90.8	-31	0	0	0	116.5	E185 N186	E185-H450 CarbonylContact O-C 3.17Å; E185-H450 WeakPolarHBondContact O-CA 3.3Å; E185-H450 WeakPolarHBondContact O-CB 3.41Å; E185-H450 PolarHBondContact O-ND1 2.81Å; N186-H450 HydrophobicContact CB-CB 4.19Å; N186-H450 WeakPolarHBondContact OD1-CB 3.33Å
451	C	35.8	Very low	39.1	Very low	83 Å²	83	111.5 Å²	111.5	56%	0.561	57%	0.572	S	S	*	*			trans	-162.8	132.6	164.2	-158.3	0	0	0	0	115.6	F184 E185 N186	F184-C451 CarbonylContact C-O 3.6Å; F184-C451 PolarHBondContact O-N 2.94Å; E185-C451 CarbonylContact C-O 3.6Å; E185-C451 WeakPolarHBondContact CA-O 3.35Å; E185-C451 PolarHBondContact N-O 3.15Å; E185-C451 PolarHBondContact O-N 3.49Å; N186-C451 VanDerWaalsContact N-C 3.27Å; N186-C451 PolarHBondContact N-O 3.42Å
452	H	45.9	Very low	39.5	Very low	69 Å²	69	108.1 Å²	108.1	32%	0.319	55%	0.553	S	S	.	*			trans	-114.3	-162.3	-166	-158.5	-104.8	0	0	0	114.5	N186	N186-H452 HydrophobicContact CB-CB 3.58Å; N186-H452 PolarHBondContact O-CD2 3.36Å
453	D	41.8	Very low	40.2	Very low	135 Å²	135	99 Å²	99	72%	0.722	52%	0.52	S	S	*	.			trans	86.5	139.8	157.1	-64.8	-9.1	0	0	0	118.3
454	D	44.5	Very low	40.6	Very low	106 Å²	106	98 Å²	98	57%	0.567	51%	0.51	S	S	*	.			cis	-171.9	170.1	-7.1	-159.7	3.9	0	0	0	112.8
455	N	43.3	Very low	41.3	Very low	87 Å²	87	97.2 Å²	97.2	47%	0.465	51%	0.506	S	S	.	.			trans	68.4	148	153.3	-66.3	-53.1	0	0	0	120.5
456	N	43.6	Very low	41.2	Very low	62 Å²	62	96.9 Å²	96.9	33%	0.332	51%	0.509	S	S	.	.			cis	176.5	151.2	2.9	-107.5	-2.3	0	0	0	113.6	W201 S204	W201-N456 HydrophobicContact CH2-CB 3.95Å; W201-N456 WeakPolarHBondContact CH2-OD1 3.38Å; W201-N456 HydrophobicContact CZ3-CB 3.09Å; W201-N456 WeakPolarHBondContact CZ3-OD1 3.24Å; S204-N456 PolarHBondContact OG-ND2 2.94Å
457	N	43.5	Very low	41.2	Very low	64 Å²	64	98.7 Å²	98.7	34%	0.342	52%	0.517	S	S	.	.			cis	-144.2	134.2	-36.2	-88.8	-144.2	0	0	0	103.8	W201	W201-N457 HydrophobicContact CD2-CB 3.84Å; W201-N457 HydrophobicContact CE3-CB 3.18Å; W201-N457 HydrophobicContact CH2-CB 2.65Å; W201-N457 WeakPolarHBondContact CH2-ND2 3.5Å; W201-N457 WeakPolarHBondContact CH2-OD1 3.12Å; W201-N457 HydrophobicContact CZ2-CB 3.37Å; W201-N457 WeakPolarHBondContact CZ2-ND2 3.2Å; W201-N457 WeakPolarHBondContact CZ2-OD1 3.47Å; W201-N457 HydrophobicContact CZ3-CB 2.52Å; W201-N457 WeakPolarHBondContact CZ3-ND2 3.31Å; W201-N457 WeakPolarHBondContact CZ3-OD1 3.27Å; W201-N457 PolarHBondContact NE1-ND2 3.48Å; W201-N457 PolarHBondContact NE1-OD1 2.82Å
458	D	44.2	Very low	40.8	Very low	135 Å²	135	97.5 Å²	97.5	72%	0.722	52%	0.522	S	S	*	.			trans	49	173.5	142.6	-41.9	-24.4	0	0	0	122.4
459	D	42	Very low	40.5	Very low	137 Å²	137	100.2 Å²	100.2	73%	0.733	53%	0.528	S	S	*	.			cis	-158	165.2	4.1	-156.1	-6.7	0	0	0	112.9
460	H	46.8	Very low	40.4	Very low	126 Å²	126	101.7 Å²	101.7	58%	0.583	54%	0.536	S	S	*	.			trans	-165.1	163.1	156.4	-120.6	72.5	0	0	0	118.2	A145 D146	A145-H460 PolarHBondContact O-CD2 3.37Å; D146-H460 CarbonylContact O-C 3.56Å; D146-H460 WeakPolarHBondContact O-CB 3.45Å
461	N	44.2	Very low	39.9	Very low	52 Å²	52	105.4 Å²	105.4	28%	0.278	56%	0.556	S	S	.	*			trans	-158.4	148.4	-158.8	156.6	-23.5	0	0	0	110.3	D146 H345 S346	D146-N461 PolarHBondContact N-O 3.27Å; D146-N461 CarbonylContact O-C 3.34Å; D146-N461 PolarHBondContact O-N 2.88Å; H345-N461 CarbonylContact C-O 3.48Å; S346-N461 VanDerWaalsContact C-OD1 3.28Å; S346-N461 PolarHBondContact N-O 3.27Å; S346-N461 WeakPolarHBondContact O-CB 3.28Å; S346-N461 PolarHBondContact O-OD1 2.83Å; S346-N461 PolarHBondContact OG-OD1 3.31Å
462	A	40	Very low	39.8	Very low	18 Å²	18	109.1 Å²	109.1	15%	0.149	56%	0.563	C	S	.	*			cis	-161	-126.4	-8.2	0	0	0	0	0	111.2	L344 H345	L344-A462 CarbonylContact C-O 2.81Å; L344-A462 PolarHBondContact N-O 3.46Å; L344-A462 CarbonylContact O-C 3.41Å; L344-A462 PolarHBondContact O-N 2.9Å; H345-A462 HydrophobicContact CB-CB 4.06Å; H345-A462 VanDerWaalsContact CB-N 3.25Å
463	H	44.9	Very low	39.3	Very low	24 Å²	24	111.5 Å²	111.5	11%	0.111	57%	0.573	C	S	.	*			trans	-162.5	165.6	167.6	-155.4	21.4	0	0	0	117.7	D342 S343 L344 H345 H465	D342-H463 IonicContact OD1-CD2 2.81Å; D342-H463 PolarHBondContact OD1-CD2 3.01Å; D342-H463 VanDerWaalsContact OD1-CD2 3.31Å; D342-H463 IonicContact OD1-NE2 2.69Å; D342-H463 PolarHBondContact OD1-NE2 3.12Å; S343-H463 VanDerWaalsContact C-CG 3.45Å; S343-H463 WeakPolarHBondContact O-CB 3.37Å; S343-H463 PolarHBondContact O-CD2 2.89Å; S343-H463 PolarHBondContact O-ND1 3.43Å; S343-H463 VanDerWaalsContact O-ND1 3.11Å; L344-H463 WeakPolarHBondContact CB-ND1 3.49Å; L344-H463 PolarHBondContact N-ND1 3.18Å; H345-H463 PolarHBondContact CE1-O 3.47Å; H345-H463 VanDerWaalsContact CE1-O 3.31Å; H345-H463 PolarHBondContact ND1-N 3.34Å; H345-H463 PolarHBondContact ND1-O 2.99Å; H463-H465 AromaticContact CD2-CD2 3.96Å; H463-H465 AromaticContact CE1-CD2 3.7Å; H463-H465 AromaticContact CE1-NE2 3.52Å; H463-H465 AromaticContact NE2-CD2 3.09Å; H463-H465 PolarHBondContact NE2-CD2 2.57Å; H463-H465 AromaticContact NE2-NE2 3.24Å; H463-H465 PolarHBondContact NE2-NE2 3.13Å
464	H	36.6	Very low	39	Very low	118 Å²	118	109.9 Å²	109.9	55%	0.546	56%	0.564	S	S	.	*			trans	-100.1	163.1	163.6	-79.1	-95.3	0	0	0	110.7	H345	H345-H464 AromaticContact CD2-CD2 3.38Å; H345-H464 PolarHBondContact CD2-CD2 3.46Å; H345-H464 AromaticContact CD2-NE2 3.53Å; H345-H464 AromaticContact CE1-CD2 3.95Å; H345-H464 AromaticContact NE2-CD2 3.03Å; H345-H464 PolarHBondContact NE2-CD2 2.89Å; H345-H464 AromaticContact NE2-CE1 3.73Å; H345-H464 AromaticContact NE2-CG 3.75Å; H345-H464 AromaticContact NE2-NE2 3.01Å; H345-H464 PolarHBondContact NE2-NE2 2.98Å
465	H	46.4	Very low	39	Very low	151 Å²	151	106.4 Å²	106.4	70%	0.699	55%	0.55	S	S	*	*				-170.2	150.4	116.4	-96.4	-40.7	0	0	0	113.4	H463	H463-H465 AromaticContact CD2-CD2 3.96Å; H463-H465 AromaticContact CE1-CD2 3.7Å; H463-H465 AromaticContact CE1-NE2 3.52Å; H463-H465 AromaticContact NE2-CD2 3.09Å; H463-H465 PolarHBondContact NE2-CD2 2.57Å; H463-H465 AromaticContact NE2-NE2 3.24Å; H463-H465 PolarHBondContact NE2-NE2 3.13Å
466	S	34.4	Very low	39.5	Very low	113 Å²	113	106.4 Å²	106.4	79%	0.79	56%	0.557	S	S	*	*			trans	-30.7	146.8	-176.2	-158.9	0	0	0	0	119.8
467	H	31.1	Very low	40.2	Very low	174 Å²	174	105.9 Å²	105.9	81%	0.806	56%	0.558	S	S	*	*			trans	-85.8	142.4	169.3	-64.2	-90.4	0	0	0	112.6
468	T	32.7	Very low	41.3	Very low	135 Å²	135	107 Å²	107	83%	0.828	56%	0.56	S	S	*	*			trans	-117.3	136.3	153.3	54.9	0	0	0	0	109.2	D470	T468-D470 PolarHBondContact O-N 3.31Å
469	H	29.8	Very low	42.4	Very low	146 Å²	146	101.7 Å²	101.7	68%	0.676	54%	0.538	S	S	*	.			trans	-100.9	55.5	-157.4	-149.5	-69.9	0	0	0	113.5	Q549	H469-Q549 PolarHBondContact NE2-NE2 3.44Å; H469-Q549 VanDerWaalsContact NE2-NE2 3.16Å
470	D	33.4	Very low	43.5	Very low	129 Å²	129	96.9 Å²	96.9	69%	0.69	51%	0.514	S	S	*	.			trans	-77.5	124.6	-178.2	-164.5	18.9	0	0	0	111.7	T468 K472	T468-D470 PolarHBondContact O-N 3.31Å; D470-K472 VanDerWaalsContact C-N 3.32Å; D470-K472 PolarHBondContact O-N 2.93Å
471	I	34	Very low	44.6	Very low	149 Å²	149	93.2 Å²	93.2	76%	0.764	50%	0.501	S	S	*	.			trans	-82.4	76.3	-169.5	-52.7	-179.1	0	0	0	110.5	F473	I471-F473 PolarHBondContact O-N 3Å
472	K	32.8	Very low	45.9	Very low	162 Å²	162	91.7 Å²	91.7	70%	0.704	49%	0.493	S	S	*	.			trans	-71.6	97.3	172.3	-72.5	-178.9	178.8	173.5	0	111	D470 D474	D470-K472 VanDerWaalsContact C-N 3.32Å; D470-K472 PolarHBondContact O-N 2.93Å; K472-D474 PolarHBondContact O-N 2.9Å; K472-D474 VanDerWaalsContact O-N 3.16Å
473	F	34.9	Very low	47.3	Very low	119 Å²	119	94.1 Å²	94.1	52%	0.522	50%	0.498	S	S	.	.			trans	-79.7	92.4	169.5	-163.4	-90.4	0	0	0	110.3	I471 F478	I471-F473 PolarHBondContact O-N 3Å; F473-F478 HydrophobicContact CD1-CB 4.26Å; F473-F478 HydrophobicContact CD1-CD2 4.4Å; F473-F478 HydrophobicContact CE1-CB 3.78Å; F473-F478 AromaticContact CE1-CD2 3.85Å; F473-F478 HydrophobicContact CE1-CD2 3.85Å; F473-F478 HydrophobicContact CE1-CG 4.33Å
474	D	37	Very low	48.6	Very low	101 Å²	101	95 Å²	95	54%	0.54	50%	0.503	S	S	.	.			trans	-57.6	148.7	-172.9	-79.9	-36.4	0	0	0	113.9	K472 S476 S477 F478	K472-D474 PolarHBondContact O-N 2.9Å; K472-D474 VanDerWaalsContact O-N 3.16Å; D474-S476 PolarHBondContact O-N 3.27Å; D474-S477 WeakPolarHBondContact O-CB 3.3Å; D474-S477 PolarHBondContact O-N 3.09Å; D474-S477 VanDerWaalsContact O-N 3.15Å; D474-F478 PolarHBondContact O-N 3.33Å
475	A	43.7	Very low	50.6	Low	33 Å²	33	94.1 Å²	94.1	27%	0.273	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-39	-169.9	0	0	0	0	0	113.7	K321 S477 F478 G479	K321-A475 HydrophobicContact CD-CB 4.28Å; A475-S477 VanDerWaalsContact C-N 3.3Å; A475-S477 PolarHBondContact O-N 3.29Å; A475-F478 PolarHBondContact O-N 3.21Å; A475-G479 PolarHBondContact O-N 2.68Å
476	S	53	Low	52.1	Low	86 Å²	86	88.8 Å²	88.8	60%	0.601	48%	0.478	S	S	*	.	H	α-helix	trans	-59.2	-39.3	174.2	44.1	0	0	0	0	112.4	D474 F478 G479 S480	D474-S476 PolarHBondContact O-N 3.27Å; S476-F478 PolarHBondContact O-N 2.86Å; S476-G479 PolarHBondContact O-N 3.42Å; S476-S480 PolarHBondContact O-N 3.09Å; S476-S480 PolarHBondContact O-OG 2.94Å
477	S	59	Low	54	Low	52 Å²	52	85 Å²	85	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-65.5	-36.6	178.1	-56.7	0	0	0	0	112.4	D474 A475 S480 V481	D474-S477 WeakPolarHBondContact O-CB 3.3Å; D474-S477 PolarHBondContact O-N 3.09Å; D474-S477 VanDerWaalsContact O-N 3.15Å; A475-S477 VanDerWaalsContact C-N 3.3Å; A475-S477 PolarHBondContact O-N 3.29Å; S477-S480 PolarHBondContact O-N 3.27Å; S477-V481 WeakPolarHBondContact O-CB 3.46Å; S477-V481 WeakPolarHBondContact O-CG2 3.31Å; S477-V481 PolarHBondContact O-N 3.43Å
478	F	66.2	Low	56.3	Low	86 Å²	86	78.1 Å²	78.1	38%	0.377	42%	0.418	S	S	.	.	H	α-helix	trans	-66.8	-46.4	177.2	-165.2	-99.3	0	0	0	112.1	I317 F473 D474 A475 S476 S480 V481 L482	I317-F478 HydrophobicContact CD1-CE1 4.36Å; I317-F478 HydrophobicContact CG2-CD1 3.9Å; I317-F478 HydrophobicContact CG2-CE1 3.64Å; F473-F478 HydrophobicContact CD1-CB 4.26Å; F473-F478 HydrophobicContact CD1-CD2 4.4Å; F473-F478 HydrophobicContact CE1-CB 3.78Å; F473-F478 AromaticContact CE1-CD2 3.85Å; F473-F478 HydrophobicContact CE1-CD2 3.85Å; F473-F478 HydrophobicContact CE1-CG 4.33Å; D474-F478 PolarHBondContact O-N 3.33Å; A475-F478 PolarHBondContact O-N 3.21Å; S476-F478 PolarHBondContact O-N 2.86Å; F478-S480 PolarHBondContact O-N 2.77Å; F478-V481 PolarHBondContact O-N 2.96Å; F478-L482 HydrophobicContact CD1-CD1 4.45Å; F478-L482 HydrophobicContact CE1-CB 4.45Å; F478-L482 HydrophobicContact CE1-CD1 3.78Å; F478-L482 HydrophobicContact CZ-CD1 4.44Å; F478-L482 WeakPolarHBondContact O-CB 3.33Å; F478-L482 PolarHBondContact O-N 3.45Å
479	G	67	Low	58.7	Low	25 Å²	25	75.1 Å²	75.1	26%	0.258	40%	0.401	S	S	.	.	H	α-helix	trans	-57.1	-48.8	173.1	0	0	0	0	0	111.5	A475 S476 V481 L482 R483	A475-G479 PolarHBondContact O-N 2.68Å; S476-G479 PolarHBondContact O-N 3.42Å; G479-V481 PolarHBondContact O-N 3.5Å; G479-L482 PolarHBondContact O-N 3.02Å; G479-R483 WeakPolarHBondContact O-CB 3.2Å; G479-R483 WeakPolarHBondContact O-CG 3.17Å; G479-R483 PolarHBondContact O-N 2.83Å; G479-R483 PolarHBondContact O-NE 3.42Å; G479-R483 VanDerWaalsContact O-NE 3.16Å
480	S	65.3	Low	61.2	Low	35 Å²	35	68.6 Å²	68.6	25%	0.245	37%	0.373	C	S	.	.	H	α-helix	trans	-60.2	-42.4	178.5	-64.7	0	0	0	0	114.2	S476 S477 F478 R483 I484	S476-S480 PolarHBondContact O-N 3.09Å; S476-S480 PolarHBondContact O-OG 2.94Å; S477-S480 PolarHBondContact O-N 3.27Å; F478-S480 PolarHBondContact O-N 2.77Å; S480-R483 PolarHBondContact OG-NH2 3.49Å; S480-I484 WeakPolarHBondContact O-CG1 3.41Å; S480-I484 PolarHBondContact O-N 2.85Å
481	V	70.1	Confident	63.5	Low	49 Å²	49	62.7 Å²	62.7	30%	0.297	34%	0.341	S	S	.	.	H	α-helix	trans	-71.4	-43.5	177.1	171.6	0	0	0	0	111.6	S477 F478 G479 R483 I484 I485 L557	S477-V481 WeakPolarHBondContact O-CB 3.46Å; S477-V481 WeakPolarHBondContact O-CG2 3.31Å; S477-V481 PolarHBondContact O-N 3.43Å; F478-V481 PolarHBondContact O-N 2.96Å; G479-V481 PolarHBondContact O-N 3.5Å; V481-R483 VanDerWaalsContact C-N 3.33Å; V481-R483 PolarHBondContact O-N 3.25Å; V481-I484 PolarHBondContact O-N 3.16Å; V481-I485 HydrophobicContact CG1-CD1 3.73Å; V481-I485 HydrophobicContact CG1-CG1 4.4Å; V481-I485 WeakPolarHBondContact O-CG1 3.09Å; V481-I485 PolarHBondContact O-N 3.39Å; V481-L557 HydrophobicContact CG2-CD1 4.33Å
482	L	71.9	Confident	66.1	Low	21 Å²	21	56.1 Å²	56.1	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-43.6	178.3	175.8	148.6	0	0	0	112	I317 F478 G479 I484 I485 L486	I317-L482 HydrophobicContact CD1-CD1 3.32Å; I317-L482 HydrophobicContact CG2-CD1 4.38Å; F478-L482 HydrophobicContact CD1-CD1 4.45Å; F478-L482 HydrophobicContact CE1-CB 4.45Å; F478-L482 HydrophobicContact CE1-CD1 3.78Å; F478-L482 HydrophobicContact CZ-CD1 4.44Å; F478-L482 WeakPolarHBondContact O-CB 3.33Å; F478-L482 PolarHBondContact O-N 3.45Å; G479-L482 PolarHBondContact O-N 3.02Å; L482-I484 VanDerWaalsContact C-N 3.32Å; L482-I484 PolarHBondContact O-N 2.99Å; L482-I485 CarbonylContact O-C 3.52Å; L482-I485 PolarHBondContact O-N 2.81Å; L482-I485 VanDerWaalsContact O-N 3.09Å; L482-L486 HydrophobicContact CD2-CD1 3.58Å; L482-L486 HydrophobicContact CD2-CG 4.01Å; L482-L486 HydrophobicContact CG-CD1 4.27Å; L482-L486 HydrophobicContact CG-CG 4.3Å; L482-L486 PolarHBondContact O-N 2.78Å
483	R	69.2	Low	68.7	Low	68 Å²	68	50.7 Å²	50.7	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-42.5	179	-70.7	176.3	-59.9	160.8	1.8	112.1	G479 S480 V481 I485 L486 L487 E613	G479-R483 WeakPolarHBondContact O-CB 3.2Å; G479-R483 WeakPolarHBondContact O-CG 3.17Å; G479-R483 PolarHBondContact O-N 2.83Å; G479-R483 PolarHBondContact O-NE 3.42Å; G479-R483 VanDerWaalsContact O-NE 3.16Å; S480-R483 PolarHBondContact OG-NH2 3.49Å; V481-R483 VanDerWaalsContact C-N 3.33Å; V481-R483 PolarHBondContact O-N 3.25Å; R483-I485 VanDerWaalsContact C-N 3.34Å; R483-L486 PolarHBondContact O-N 2.97Å; R483-L487 WeakPolarHBondContact O-CB 3.31Å; R483-L487 PolarHBondContact O-N 3.24Å; R483-E613 WeakPolarHBondContact CD-OE1 3.42Å; R483-E613 WeakPolarHBondContact CD-OE2 3.38Å; R483-E613 HydrophobicContact CG-CG 4.23Å; R483-E613 WeakPolarHBondContact CG-OE1 3.42Å; R483-E613 IonicContact CZ-OE2 3.31Å; R483-E613 IonicContact NE-OE2 3.29Å; R483-E613 IonicContact NH1-OE2 3.42Å; R483-E613 PolarHBondContact NH1-OE2 3.31Å
484	I	71.6	Confident	71.2	Confident	44 Å²	44	45.5 Å²	45.5	23%	0.226	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-39.9	174.8	-63.4	169.9	0	0	0	110.5	S480 V481 L482 L488 L533	S480-I484 WeakPolarHBondContact O-CG1 3.41Å; S480-I484 PolarHBondContact O-N 2.85Å; V481-I484 PolarHBondContact O-N 3.16Å; L482-I484 VanDerWaalsContact C-N 3.32Å; L482-I484 PolarHBondContact O-N 2.99Å; I484-L488 WeakPolarHBondContact O-CB 3.21Å; I484-L488 PolarHBondContact O-N 2.89Å; I484-L533 HydrophobicContact CG2-CD1 4.38Å
485	I	78.3	Confident	73.7	Confident	99 Å²	99	40.7 Å²	40.7	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-66.2	-44.9	177.4	-68.4	169.1	0	0	0	111.9	V481 L482 R483 L488 C489	V481-I485 HydrophobicContact CG1-CD1 3.73Å; V481-I485 HydrophobicContact CG1-CG1 4.4Å; V481-I485 WeakPolarHBondContact O-CG1 3.09Å; V481-I485 PolarHBondContact O-N 3.39Å; L482-I485 CarbonylContact O-C 3.52Å; L482-I485 PolarHBondContact O-N 2.81Å; L482-I485 VanDerWaalsContact O-N 3.09Å; R483-I485 VanDerWaalsContact C-N 3.34Å; I485-L488 PolarHBondContact O-N 3.36Å; I485-C489 VanDerWaalsContact O-CB 3.25Å; I485-C489 WeakPolarHBondContact O-CB 3.2Å; I485-C489 PolarHBondContact O-N 3.45Å
486	L	78.8	Confident	76	Confident	38 Å²	38	41.6 Å²	41.6	20%	0.199	24%	0.24	C	C	.	.	H	α-helix	trans	-69.8	-42.2	179.8	-67	-171.6	0	0	0	112.1	V310 I313 L482 R483 L488 C489 A490	V310-L486 HydrophobicContact CG1-CD1 3.99Å; I313-L486 HydrophobicContact CG2-CD1 4.26Å; L482-L486 HydrophobicContact CD2-CD1 3.58Å; L482-L486 HydrophobicContact CD2-CG 4.01Å; L482-L486 HydrophobicContact CG-CD1 4.27Å; L482-L486 HydrophobicContact CG-CG 4.3Å; L482-L486 PolarHBondContact O-N 2.78Å; R483-L486 PolarHBondContact O-N 2.97Å; L486-L488 PolarHBondContact O-N 3.19Å; L486-C489 PolarHBondContact O-N 2.72Å; L486-A490 PolarHBondContact O-N 2.98Å
487	L	74.1	Confident	77.7	Confident	33 Å²	33	39 Å²	39	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-53.4	-54.2	169.9	-178.8	166.7	0	0	0	110	R483 C489 A490 M491 I529 V609	R483-L487 WeakPolarHBondContact O-CB 3.31Å; R483-L487 PolarHBondContact O-N 3.24Å; L487-C489 VanDerWaalsContact C-N 3.33Å; L487-C489 PolarHBondContact O-N 3.4Å; L487-A490 PolarHBondContact O-N 3.11Å; L487-M491 HydrophobicContact CD2-CG 3.96Å; L487-M491 WeakPolarHBondContact O-CG 3.26Å; L487-M491 PolarHBondContact O-N 2.8Å; L487-I529 HydrophobicContact CD2-CD1 3.78Å; L487-I529 HydrophobicContact CD2-CG1 3.94Å; L487-V609 HydrophobicContact CB-CG1 4.14Å; L487-V609 HydrophobicContact CB-CG2 4.21Å; L487-V609 HydrophobicContact CD1-CG1 3.68Å; L487-V609 HydrophobicContact CG-CG1 3.87Å
488	L	80.1	Confident	79	Confident	30 Å²	30	37 Å²	37	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-40.7	-178.4	-171.3	88.3	0	0	0	112.1	I484 I485 L486 S492 G564 L568	I484-L488 WeakPolarHBondContact O-CB 3.21Å; I484-L488 PolarHBondContact O-N 2.89Å; I485-L488 PolarHBondContact O-N 3.36Å; L486-L488 PolarHBondContact O-N 3.19Å; L488-S492 VanDerWaalsContact O-CB 3.24Å; L488-S492 WeakPolarHBondContact O-CB 3.28Å; L488-S492 PolarHBondContact O-N 3.48Å; L488-S492 PolarHBondContact O-OG 3.46Å; L488-G564 WeakPolarHBondContact CD1-O 3.46Å; L488-L568 HydrophobicContact CD1-CB 3.96Å; L488-L568 HydrophobicContact CD1-CD2 4.14Å
489	C	83.2	Confident	80.2	Confident	72 Å²	72	33 Å²	33	49%	0.486	19%	0.185	S	C	.	.	H	α-helix	trans	-60.1	-51.5	178.1	-172.7	0	0	0	0	111	I485 L486 L487 S492 V493	I485-C489 VanDerWaalsContact O-CB 3.25Å; I485-C489 WeakPolarHBondContact O-CB 3.2Å; I485-C489 PolarHBondContact O-N 3.45Å; L486-C489 PolarHBondContact O-N 2.72Å; L487-C489 VanDerWaalsContact C-N 3.33Å; L487-C489 PolarHBondContact O-N 3.4Å; C489-S492 WeakPolarHBondContact O-CB 3.43Å; C489-S492 PolarHBondContact O-N 3.03Å; C489-V493 WeakPolarHBondContact O-CG2 3.19Å; C489-V493 PolarHBondContact O-N 2.84Å
490	A	81.4	Confident	81.3	Confident	9 Å²	9	32.7 Å²	32.7	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-43.8	179.1	0	0	0	0	0	112.8	L486 L487 S492 V493 H494 T605	L486-A490 PolarHBondContact O-N 2.98Å; L487-A490 PolarHBondContact O-N 3.11Å; A490-S492 VanDerWaalsContact C-N 3.27Å; A490-S492 PolarHBondContact O-N 3.19Å; A490-V493 PolarHBondContact O-N 3.45Å; A490-H494 WeakPolarHBondContact O-CB 3.33Å; A490-H494 PolarHBondContact O-N 3.38Å; A490-T605 HydrophobicContact CB-CG2 3.35Å
491	M	82.4	Confident	82.4	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-35.4	174.3	-65.3	-45	-48.4	0	0	111.9	L487 S495 I525 L568 F606	L487-M491 HydrophobicContact CD2-CG 3.96Å; L487-M491 WeakPolarHBondContact O-CG 3.26Å; L487-M491 PolarHBondContact O-N 2.8Å; M491-S495 WeakPolarHBondContact O-CB 3.47Å; M491-S495 PolarHBondContact O-N 3.36Å; M491-S495 PolarHBondContact O-OG 2.96Å; M491-S495 VanDerWaalsContact O-OG 3.04Å; M491-I525 HydrophobicContact CE-CD1 3.46Å; M491-I525 VanDerWaalsContact CE-CD1 3.46Å; M491-I525 HydrophobicContact CE-CG2 4.05Å; M491-I525 HydrophobicContact SD-CD1 4.49Å; M491-L568 HydrophobicContact CB-CD1 3.72Å; M491-L568 HydrophobicContact CB-CD2 4.36Å; M491-F606 HydrophobicContact CE-CD2 4.46Å; M491-F606 HydrophobicContact CE-CE2 4.4Å; M491-F606 HydrophobicContact SD-CD2 3.53Å; M491-F606 VanDerWaalsContact SD-CD2 3.53Å; M491-F606 HydrophobicContact SD-CE2 3.79Å
492	S	89	Confident	83.4	Confident	11 Å²	11	30.6 Å²	30.6	8%	0.077	17%	0.168	C	C	.	.	H	α-helix	trans	-67	-39.6	176.5	-59.7	0	0	0	0	111.8	L488 C489 A490 I496 S571	L488-S492 VanDerWaalsContact O-CB 3.24Å; L488-S492 WeakPolarHBondContact O-CB 3.28Å; L488-S492 PolarHBondContact O-N 3.48Å; L488-S492 PolarHBondContact O-OG 3.46Å; C489-S492 WeakPolarHBondContact O-CB 3.43Å; C489-S492 PolarHBondContact O-N 3.03Å; A490-S492 VanDerWaalsContact C-N 3.27Å; A490-S492 PolarHBondContact O-N 3.19Å; S492-I496 WeakPolarHBondContact O-CG1 3.5Å; S492-I496 PolarHBondContact O-N 3.03Å; S492-I496 VanDerWaalsContact O-N 3.15Å; S492-S571 WeakPolarHBondContact O-CB 3.49Å
493	V	86.2	Confident	84.2	Confident	48 Å²	48	29.6 Å²	29.6	29%	0.291	16%	0.162	S	C	.	.	H	α-helix	trans	-67.6	-49.9	176.1	171.1	0	0	0	0	111.4	C489 A490 S495 I496 F497 A602	C489-V493 WeakPolarHBondContact O-CG2 3.19Å; C489-V493 PolarHBondContact O-N 2.84Å; A490-V493 PolarHBondContact O-N 3.45Å; V493-S495 PolarHBondContact O-N 2.97Å; V493-I496 PolarHBondContact O-N 3.47Å; V493-I496 VanDerWaalsContact O-N 3.1Å; V493-F497 HydrophobicContact CG1-CD2 4.25Å; V493-F497 HydrophobicContact CG1-CE2 3.58Å; V493-F497 HydrophobicContact CG1-CZ 4.36Å; V493-F497 WeakPolarHBondContact O-CD2 3.38Å; V493-F497 PolarHBondContact O-N 3.39Å; V493-A602 HydrophobicContact CG1-CB 4.29Å
494	H	87	Confident	85.2	Confident	9 Å²	9	28.6 Å²	28.6	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-52.8	-45.7	174.8	179.3	13.8	0	0	0	110.9	A490 I496 F497 E498 A602	A490-H494 WeakPolarHBondContact O-CB 3.33Å; A490-H494 PolarHBondContact O-N 3.38Å; H494-I496 VanDerWaalsContact C-N 3.34Å; H494-I496 PolarHBondContact O-N 2.83Å; H494-F497 WeakPolarHBondContact O-CA 3.19Å; H494-F497 PolarHBondContact O-N 2.84Å; H494-E498 IonicContact CD2-OE1 2.95Å; H494-E498 IonicContact CE1-OE1 3.96Å; H494-E498 IonicContact CG-OE1 3.51Å; H494-E498 IonicContact ND1-OE1 3.68Å; H494-E498 IonicContact NE2-OE1 3.74Å; H494-E498 PolarHBondContact O-N 3.32Å; H494-A602 HydrophobicContact CB-CB 4.47Å
495	S	90.4	Very high	86	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.5	-21.4	179.5	-71.1	0	0	0	0	116.6	M491 V493 F497 E498 G499 K522 S571 S572	M491-S495 WeakPolarHBondContact O-CB 3.47Å; M491-S495 PolarHBondContact O-N 3.36Å; M491-S495 PolarHBondContact O-OG 2.96Å; M491-S495 VanDerWaalsContact O-OG 3.04Å; V493-S495 PolarHBondContact O-N 2.97Å; S495-F497 VanDerWaalsContact C-N 3.33Å; S495-E498 WeakPolarHBondContact CA-OE1 3.42Å; S495-E498 WeakPolarHBondContact CB-OE1 3.15Å; S495-E498 PolarHBondContact N-OE1 2.83Å; S495-E498 VanDerWaalsContact OG-CD 3.25Å; S495-E498 PolarHBondContact OG-OE1 3.1Å; S495-E498 PolarHBondContact OG-OE2 3.32Å; S495-E498 VanDerWaalsContact OG-OE2 3.12Å; S495-G499 PolarHBondContact O-N 3.42Å; S495-K522 WeakPolarHBondContact OG-CE 3.16Å; S495-K522 PolarHBondContact OG-NZ 3Å; S495-S571 WeakPolarHBondContact CB-OG 3.27Å; S495-S572 WeakPolarHBondContact CB-OG 3.14Å; S495-S572 WeakPolarHBondContact O-CA 3.34Å; S495-S572 PolarHBondContact O-N 2.86Å; S495-S572 PolarHBondContact O-OG 3.46Å
496	I	91.9	Very high	86.4	Confident	53 Å²	53	27.9 Å²	27.9	27%	0.272	16%	0.163	S	C	.	.	H	α-helix	trans	-67.3	-39.6	167.2	-69	167.7	0	0	0	109.7	S492 V493 H494 G499 L500 F574 G575	S492-I496 WeakPolarHBondContact O-CG1 3.5Å; S492-I496 PolarHBondContact O-N 3.03Å; S492-I496 VanDerWaalsContact O-N 3.15Å; V493-I496 PolarHBondContact O-N 3.47Å; V493-I496 VanDerWaalsContact O-N 3.1Å; H494-I496 VanDerWaalsContact C-N 3.34Å; H494-I496 PolarHBondContact O-N 2.83Å; I496-G499 PolarHBondContact O-N 2.92Å; I496-L500 WeakPolarHBondContact O-CB 2.97Å; I496-L500 PolarHBondContact O-N 3.44Å; I496-F574 HydrophobicContact CD1-CD1 4.33Å; I496-F574 HydrophobicContact CG1-CD1 4.18Å; I496-F574 HydrophobicContact CG2-CD1 4.26Å; I496-F574 HydrophobicContact CG2-CE1 4.45Å; I496-G575 VanDerWaalsContact O-CA 3.29Å; I496-G575 WeakPolarHBondContact O-CA 3.29Å
497	F	88.6	Confident	86.9	Confident	31 Å²	31	29.1 Å²	29.1	14%	0.136	17%	0.172	C	C	.	.	H	α-helix	trans	-77.8	-38	-179.6	-55.9	-49.2	0	0	0	113.4	V493 H494 S495 G499 L500 A501 T595 L598 Q599	V493-F497 HydrophobicContact CG1-CD2 4.25Å; V493-F497 HydrophobicContact CG1-CE2 3.58Å; V493-F497 HydrophobicContact CG1-CZ 4.36Å; V493-F497 WeakPolarHBondContact O-CD2 3.38Å; V493-F497 PolarHBondContact O-N 3.39Å; H494-F497 WeakPolarHBondContact O-CA 3.19Å; H494-F497 PolarHBondContact O-N 2.84Å; S495-F497 VanDerWaalsContact C-N 3.33Å; F497-G499 VanDerWaalsContact C-N 3.26Å; F497-G499 PolarHBondContact O-N 3.28Å; F497-L500 WeakPolarHBondContact O-CB 3.1Å; F497-L500 PolarHBondContact O-N 3.26Å; F497-L500 VanDerWaalsContact O-N 3.15Å; F497-A501 PolarHBondContact O-N 2.97Å; F497-T595 HydrophobicContact CD1-CG2 3.88Å; F497-T595 HydrophobicContact CE1-CG2 3.78Å; F497-L598 HydrophobicContact CE2-CB 3.56Å; F497-L598 HydrophobicContact CZ-CB 3.6Å; F497-L598 HydrophobicContact CZ-CD1 3.87Å; F497-L598 HydrophobicContact CZ-CG 4.39Å; F497-Q599 HydrophobicContact CD2-CB 4.25Å
498	E	86	Confident	87.6	Confident	11 Å²	11	30 Å²	30	5%	0.051	18%	0.179	C	C	.	.	H	α-helix	trans	-48.8	-51.6	165.4	-68.2	160	-134.9	0	0	110.5	H494 S495 A501 V502 I518 H521 K522 S572	H494-E498 IonicContact CD2-OE1 2.95Å; H494-E498 IonicContact CE1-OE1 3.96Å; H494-E498 IonicContact CG-OE1 3.51Å; H494-E498 IonicContact ND1-OE1 3.68Å; H494-E498 IonicContact NE2-OE1 3.74Å; H494-E498 PolarHBondContact O-N 3.32Å; S495-E498 WeakPolarHBondContact CA-OE1 3.42Å; S495-E498 WeakPolarHBondContact CB-OE1 3.15Å; S495-E498 PolarHBondContact N-OE1 2.83Å; S495-E498 VanDerWaalsContact OG-CD 3.25Å; S495-E498 PolarHBondContact OG-OE1 3.1Å; S495-E498 PolarHBondContact OG-OE2 3.32Å; S495-E498 VanDerWaalsContact OG-OE2 3.12Å; E498-A501 PolarHBondContact O-N 2.95Å; E498-V502 PolarHBondContact O-N 3.06Å; E498-I518 HydrophobicContact CB-CD1 4.28Å; E498-I518 HydrophobicContact CB-CG2 3.95Å; E498-I518 HydrophobicContact CG-CG2 4.07Å; E498-H521 IonicContact OE1-CE1 3.6Å; E498-H521 IonicContact OE1-NE2 3.97Å; E498-H521 IonicContact OE2-NE2 2.7Å; E498-K522 IonicContact OE2-NZ 3.67Å; E498-S572 PolarHBondContact OE2-OG 3.19Å
499	G	91.2	Very high	87.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-41.5	179.6	0	0	0	0	0	112.1	S495 I496 F497 A501 V502 G503 G575 V576	S495-G499 PolarHBondContact O-N 3.42Å; I496-G499 PolarHBondContact O-N 2.92Å; F497-G499 VanDerWaalsContact C-N 3.26Å; F497-G499 PolarHBondContact O-N 3.28Å; G499-A501 VanDerWaalsContact C-N 3.35Å; G499-A501 PolarHBondContact O-N 3.32Å; G499-V502 PolarHBondContact O-N 2.7Å; G499-G503 PolarHBondContact O-N 2.72Å; G499-G575 CarbonylContact O-C 3.51Å; G499-V576 VanDerWaalsContact C-N 3.34Å; G499-V576 WeakPolarHBondContact O-CA 3Å; G499-V576 VanDerWaalsContact O-CG2 3.32Å; G499-V576 WeakPolarHBondContact O-CG2 2.97Å; G499-V576 PolarHBondContact O-N 3.27Å
500	L	90.7	Very high	88	Confident	19 Å²	19	40.3 Å²	40.3	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-46.7	177.3	-166.8	89.3	0	0	0	111.2	I496 F497 G503 L504 G575 V578 L582 T595	I496-L500 WeakPolarHBondContact O-CB 2.97Å; I496-L500 PolarHBondContact O-N 3.44Å; F497-L500 WeakPolarHBondContact O-CB 3.1Å; F497-L500 PolarHBondContact O-N 3.26Å; F497-L500 VanDerWaalsContact O-N 3.15Å; L500-G503 CarbonylContact O-C 2.91Å; L500-G503 WeakPolarHBondContact O-CA 3.48Å; L500-G503 PolarHBondContact O-N 2.77Å; L500-G503 VanDerWaalsContact O-N 3.14Å; L500-L504 HydrophobicContact CD2-CD1 4.04Å; L500-L504 HydrophobicContact CG-CD1 3.94Å; L500-L504 HydrophobicContact CG-CG 4.46Å; L500-L504 WeakPolarHBondContact O-CB 3.45Å; L500-L504 VanDerWaalsContact O-CG 3.31Å; L500-L504 WeakPolarHBondContact O-CG 3.5Å; L500-L504 PolarHBondContact O-N 3.17Å; L500-G575 WeakPolarHBondContact CA-O 3.34Å; L500-G575 PolarHBondContact N-O 2.96Å; L500-V578 HydrophobicContact CD1-CB 4.26Å; L500-V578 HydrophobicContact CD1-CG1 3.75Å; L500-L582 HydrophobicContact CD1-CD1 4.06Å; L500-T595 HydrophobicContact CD2-CG2 3.82Å
501	A	87.9	Confident	88.3	Confident	40 Å²	40	39.9 Å²	39.9	33%	0.331	21%	0.209	S	C	.	.	H	α-helix	trans	-59.6	-49.4	178.8	0	0	0	0	0	111.7	F497 E498 G499 G503 L504 Q505	F497-A501 PolarHBondContact O-N 2.97Å; E498-A501 PolarHBondContact O-N 2.95Å; G499-A501 VanDerWaalsContact C-N 3.35Å; G499-A501 PolarHBondContact O-N 3.32Å; A501-G503 VanDerWaalsContact C-N 3.28Å; A501-G503 PolarHBondContact O-N 2.89Å; A501-L504 PolarHBondContact O-N 3.44Å; A501-Q505 PolarHBondContact O-N 3.24Å
502	V	90.7	Very high	88.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-38.6	174.2	176.2	0	0	0	0	111.5	K56 F63 E498 G499 T511 L514 F515 I518 V576	K56-V502 WeakPolarHBondContact CE-O 3.24Å; F63-V502 HydrophobicContact CE2-CG2 4.44Å; F63-V502 HydrophobicContact CZ-CG2 4.4Å; E498-V502 PolarHBondContact O-N 3.06Å; G499-V502 PolarHBondContact O-N 2.7Å; V502-T511 HydrophobicContact CG1-CG2 3.84Å; V502-L514 HydrophobicContact CG2-CB 4.25Å; V502-F515 HydrophobicContact CG1-CB 4.41Å; V502-I518 HydrophobicContact CG2-CD1 3.66Å; V502-V576 HydrophobicContact CB-CG2 4.22Å; V502-V576 HydrophobicContact CG1-CG2 4.21Å
503	G	90.2	Very high	88.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-33.7	175.7	0	0	0	0	0	113.8	K56 G499 L500 A501 G579 C580	K56-G503 PolarHBondContact NZ-O 3.16Å; G499-G503 PolarHBondContact O-N 2.72Å; L500-G503 CarbonylContact O-C 2.91Å; L500-G503 WeakPolarHBondContact O-CA 3.48Å; L500-G503 PolarHBondContact O-N 2.77Å; L500-G503 VanDerWaalsContact O-N 3.14Å; A501-G503 VanDerWaalsContact C-N 3.28Å; A501-G503 PolarHBondContact O-N 2.89Å; G503-G579 CarbonylContact O-C 3.58Å; G503-C580 PolarHBondContact O-N 3.2Å
504	L	89.3	Confident	88.2	Confident	48 Å²	48	43.5 Å²	43.5	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-83.1	-25.7	-178.4	-72.9	168.7	0	0	0	114.2	L500 A501 L582	L500-L504 HydrophobicContact CD2-CD1 4.04Å; L500-L504 HydrophobicContact CG-CD1 3.94Å; L500-L504 HydrophobicContact CG-CG 4.46Å; L500-L504 WeakPolarHBondContact O-CB 3.45Å; L500-L504 VanDerWaalsContact O-CG 3.31Å; L500-L504 WeakPolarHBondContact O-CG 3.5Å; L500-L504 PolarHBondContact O-N 3.17Å; A501-L504 PolarHBondContact O-N 3.44Å; L504-L582 HydrophobicContact CD2-CB 4.05Å
505	Q	89.6	Confident	88.2	Confident	44 Å²	44	43.7 Å²	43.7	21%	0.206	23%	0.234	C	C	.	.			trans	-55.4	127.6	-174.1	-78.2	-59.9	-24.9	0	0	113.6	K56 A501 T507 R510 T511 L514	K56-Q505 WeakPolarHBondContact CE-O 3.16Å; K56-Q505 PolarHBondContact NZ-O 2.78Å; A501-Q505 PolarHBondContact O-N 3.24Å; Q505-T507 PolarHBondContact O-N 3.05Å; Q505-R510 HydrophobicContact CB-CB 4.36Å; Q505-R510 HydrophobicContact CG-CB 4.2Å; Q505-R510 VanDerWaalsContact OE1-CD 3.32Å; Q505-T511 WeakPolarHBondContact CB-OG1 3.27Å; Q505-L514 HydrophobicContact CG-CD1 3.75Å
506	P	86.7	Confident	87.8	Confident	83 Å²	83	44.9 Å²	44.9	54%	0.539	24%	0.242	S	C	.	.	S	Bend	trans	-81.4	-9.6	-171.5	31.5	-36.3	0	0	0	114.8	L52	L52-P506 WeakPolarHBondContact CD2-O 3.3Å
507	T	87.8	Confident	87.2	Confident	65 Å²	65	43.5 Å²	43.5	40%	0.399	24%	0.238	S	C	.	.	S	Bend	trans	-130.3	141.7	-176.5	61	0	0	0	0	112	Q505 Q509 R510 T511	Q505-T507 PolarHBondContact O-N 3.05Å; T507-Q509 PolarHBondContact O-N 3.13Å; T507-R510 PolarHBondContact O-N 2.88Å; T507-R510 WeakPolarHBondContact OG1-CG 3.37Å; T507-T511 PolarHBondContact O-N 3.28Å; T507-T511 PolarHBondContact O-OG1 2.9Å
508	T	88.8	Confident	87	Confident	52 Å²	52	43 Å²	43	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-53.9	-40.1	-179.3	-49	0	0	0	0	112.8	I55 T511 L512	I55-T508 HydrophobicContact CD1-CG2 3.64Å; I55-T508 HydrophobicContact CG2-CG2 4.47Å; T508-T511 PolarHBondContact O-N 3.38Å; T508-L512 HydrophobicContact CG2-CD1 3.93Å; T508-L512 HydrophobicContact CG2-CG 4.38Å; T508-L512 WeakPolarHBondContact O-CB 3.32Å; T508-L512 VanDerWaalsContact O-CG 3.3Å; T508-L512 WeakPolarHBondContact O-CG 3.03Å; T508-L512 PolarHBondContact O-N 3.35Å
509	Q	86.4	Confident	87	Confident	164 Å²	164	43 Å²	43	77%	0.766	24%	0.237	S	C	*	.	H	α-helix	trans	-63.4	-48.8	-179.6	-173.1	177.2	-3.2	0	0	112	T507 L512 A513	T507-Q509 PolarHBondContact O-N 3.13Å; Q509-L512 PolarHBondContact O-N 2.86Å; Q509-A513 WeakPolarHBondContact O-CB 3.4Å; Q509-A513 PolarHBondContact O-N 3.29Å
510	R	85.1	Confident	86.3	Confident	153 Å²	153	45.9 Å²	45.9	58%	0.577	25%	0.252	S	S	*	.	H	α-helix	trans	-66	-39.8	175.9	-68.1	-175.3	-179.4	-179.2	-3.4	112.2	Q505 T507 L512 A513 L514	Q505-R510 HydrophobicContact CB-CB 4.36Å; Q505-R510 HydrophobicContact CG-CB 4.2Å; Q505-R510 VanDerWaalsContact OE1-CD 3.32Å; T507-R510 PolarHBondContact O-N 2.88Å; T507-R510 WeakPolarHBondContact OG1-CG 3.37Å; R510-L512 VanDerWaalsContact C-N 3.3Å; R510-L512 PolarHBondContact O-N 2.73Å; R510-A513 PolarHBondContact O-N 3.42Å; R510-L514 PolarHBondContact O-N 3.05Å
511	T	88.3	Confident	85.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-42.8	174.3	-54.3	0	0	0	0	111.4	K56 L59 V502 Q505 T507 T508 F515	K56-T511 HydrophobicContact CD-CG2 4.46Å; K56-T511 HydrophobicContact CG-CG2 3.81Å; L59-T511 HydrophobicContact CD1-CG2 3.63Å; V502-T511 HydrophobicContact CG1-CG2 3.84Å; Q505-T511 WeakPolarHBondContact CB-OG1 3.27Å; T507-T511 PolarHBondContact O-N 3.28Å; T507-T511 PolarHBondContact O-OG1 2.9Å; T508-T511 PolarHBondContact O-N 3.38Å; T511-F515 WeakPolarHBondContact O-CB 3.22Å; T511-F515 PolarHBondContact O-N 3.44Å
512	L	87.7	Confident	85.6	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-74.8	-35.1	179.5	-73.3	173	0	0	0	113.5	T15 L59 T508 Q509 R510 T516	T15-L512 HydrophobicContact CG2-CD1 4.12Å; T15-L512 HydrophobicContact CG2-CD2 4.43Å; L59-L512 HydrophobicContact CD1-CD2 4.12Å; L59-L512 HydrophobicContact CD2-CD2 4.02Å; T508-L512 HydrophobicContact CG2-CD1 3.93Å; T508-L512 HydrophobicContact CG2-CG 4.38Å; T508-L512 WeakPolarHBondContact O-CB 3.32Å; T508-L512 VanDerWaalsContact O-CG 3.3Å; T508-L512 WeakPolarHBondContact O-CG 3.03Å; T508-L512 PolarHBondContact O-N 3.35Å; Q509-L512 PolarHBondContact O-N 2.86Å; R510-L512 VanDerWaalsContact C-N 3.3Å; R510-L512 PolarHBondContact O-N 2.73Å; L512-T516 WeakPolarHBondContact O-CB 3.34Å; L512-T516 PolarHBondContact O-N 3.28Å; L512-T516 PolarHBondContact O-OG1 2.86Å
513	A	83.6	Confident	85.3	Confident	57 Å²	57	46.1 Å²	46.1	47%	0.471	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-59.4	174.9	0	0	0	0	0	111	Q509 R510 F515 T516 A517	Q509-A513 WeakPolarHBondContact O-CB 3.4Å; Q509-A513 PolarHBondContact O-N 3.29Å; R510-A513 PolarHBondContact O-N 3.42Å; A513-F515 VanDerWaalsContact C-N 3.3Å; A513-F515 PolarHBondContact O-N 2.95Å; A513-T516 PolarHBondContact O-N 2.89Å; A513-A517 PolarHBondContact O-N 2.79Å; A513-A517 VanDerWaalsContact O-N 3.07Å
514	L	84	Confident	84.7	Confident	40 Å²	40	47.5 Å²	47.5	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-39.4	177.7	-65.3	-171.6	0	0	0	112.1	V502 Q505 R510 T516 A517 I518	V502-L514 HydrophobicContact CG2-CB 4.25Å; Q505-L514 HydrophobicContact CG-CD1 3.75Å; R510-L514 PolarHBondContact O-N 3.05Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 3.07Å; L514-A517 PolarHBondContact O-N 3.02Å; L514-I518 HydrophobicContact CB-CD1 4.47Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 WeakPolarHBondContact O-CD1 3.04Å; L514-I518 VanDerWaalsContact O-CG1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 2.84Å
515	F	87.9	Confident	84.2	Confident	12 Å²	12	45.4 Å²	45.4	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-41.4	173.9	169.9	-94.8	0	0	0	112	L59 A62 F63 V502 T511 A513 L519	L59-F515 HydrophobicContact CB-CD2 3.72Å; L59-F515 HydrophobicContact CB-CE2 3.85Å; L59-F515 HydrophobicContact CB-CG 4.34Å; L59-F515 HydrophobicContact CD1-CB 4.05Å; L59-F515 HydrophobicContact CD1-CD2 4.22Å; L59-F515 HydrophobicContact CD1-CG 4.03Å; L59-F515 HydrophobicContact CD2-CD1 3.7Å; L59-F515 HydrophobicContact CD2-CD2 3.92Å; L59-F515 HydrophobicContact CD2-CE1 3.71Å; L59-F515 HydrophobicContact CD2-CE2 3.95Å; L59-F515 HydrophobicContact CD2-CG 3.8Å; L59-F515 HydrophobicContact CD2-CZ 3.84Å; L59-F515 HydrophobicContact CG-CD2 4.14Å; L59-F515 HydrophobicContact CG-CE2 4.41Å; L59-F515 HydrophobicContact CG-CG 4.25Å; A62-F515 HydrophobicContact CB-CE2 4.13Å; A62-F515 HydrophobicContact CB-CZ 3.72Å; F63-F515 HydrophobicContact CD1-CD2 4.33Å; F63-F515 AromaticContact CD1-CE2 3.9Å; F63-F515 HydrophobicContact CD1-CE2 3.9Å; F63-F515 HydrophobicContact CD2-CD2 4.16Å; F63-F515 HydrophobicContact CD2-CE2 4.04Å; F63-F515 AromaticContact CE1-CD2 3.77Å; F63-F515 HydrophobicContact CE1-CD2 3.77Å; F63-F515 AromaticContact CE1-CE2 3.76Å; F63-F515 HydrophobicContact CE1-CE2 3.76Å; F63-F515 AromaticContact CE2-CD2 3.6Å; F63-F515 HydrophobicContact CE2-CD2 3.6Å; F63-F515 AromaticContact CE2-CE2 3.95Å; F63-F515 HydrophobicContact CE2-CE2 3.95Å; F63-F515 HydrophobicContact CG-CE2 4.03Å; F63-F515 AromaticContact CZ-CD2 3.38Å; F63-F515 HydrophobicContact CZ-CD2 3.38Å; F63-F515 AromaticContact CZ-CE2 3.81Å; F63-F515 HydrophobicContact CZ-CE2 3.81Å; F63-F515 HydrophobicContact CZ-CG 4.36Å; V502-F515 HydrophobicContact CG1-CB 4.41Å; T511-F515 WeakPolarHBondContact O-CB 3.22Å; T511-F515 PolarHBondContact O-N 3.44Å; A513-F515 VanDerWaalsContact C-N 3.3Å; A513-F515 PolarHBondContact O-N 2.95Å; F515-L519 HydrophobicContact CE1-CB 4.38Å; F515-L519 HydrophobicContact CE1-CD2 3.79Å; F515-L519 HydrophobicContact CE1-CG 4.49Å; F515-L519 HydrophobicContact CE2-CD1 4.16Å; F515-L519 HydrophobicContact CZ-CB 4.32Å; F515-L519 HydrophobicContact CZ-CD1 3.86Å; F515-L519 HydrophobicContact CZ-CD2 3.78Å; F515-L519 HydrophobicContact CZ-CG 4.21Å; F515-L519 WeakPolarHBondContact O-CB 3.21Å; F515-L519 PolarHBondContact O-N 3.09Å
516	T	81.7	Confident	83.9	Confident	26 Å²	26	43.4 Å²	43.4	16%	0.16	23%	0.234	C	C	.	.	H	α-helix	trans	-72.1	-37.7	-176.9	-62	0	0	0	0	111.8	F16 L512 A513 L514 L520 M647	F16-T516 HydrophobicContact CE2-CG2 4.47Å; F16-T516 HydrophobicContact CZ-CG2 4.27Å; L512-T516 WeakPolarHBondContact O-CB 3.34Å; L512-T516 PolarHBondContact O-N 3.28Å; L512-T516 PolarHBondContact O-OG1 2.86Å; A513-T516 PolarHBondContact O-N 2.89Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 3.07Å; T516-L520 PolarHBondContact O-N 3.46Å; T516-M647 HydrophobicContact CG2-CE 4.32Å
517	A	78.9	Confident	83.6	Confident	24 Å²	24	42.6 Å²	42.6	20%	0.198	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-59.1	170.5	0	0	0	0	0	111.4	A513 L514 L519 L520 H521 Y643	A513-A517 PolarHBondContact O-N 2.79Å; A513-A517 VanDerWaalsContact O-N 3.07Å; L514-A517 PolarHBondContact O-N 3.02Å; A517-L519 VanDerWaalsContact C-N 3.32Å; A517-L519 PolarHBondContact O-N 3.15Å; A517-L520 PolarHBondContact O-N 2.92Å; A517-L520 VanDerWaalsContact O-N 3.08Å; A517-H521 PolarHBondContact O-N 3Å; A517-Y643 WeakPolarHBondContact CA-OH 3.34Å
518	I	84.1	Confident	83	Confident	19 Å²	19	39.6 Å²	39.6	10%	0.097	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-39.6	-177.8	-65.7	164.8	0	0	0	111.4	F63 E498 V502 L514 L520 H521 K522	F63-I518 HydrophobicContact CE1-CB 4.24Å; F63-I518 HydrophobicContact CE1-CG2 3.66Å; F63-I518 HydrophobicContact CZ-CB 4.15Å; F63-I518 HydrophobicContact CZ-CG2 3.7Å; E498-I518 HydrophobicContact CB-CD1 4.28Å; E498-I518 HydrophobicContact CB-CG2 3.95Å; E498-I518 HydrophobicContact CG-CG2 4.07Å; V502-I518 HydrophobicContact CG2-CD1 3.66Å; L514-I518 HydrophobicContact CB-CD1 4.47Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 WeakPolarHBondContact O-CD1 3.04Å; L514-I518 VanDerWaalsContact O-CG1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 2.84Å; I518-L520 VanDerWaalsContact C-N 3.31Å; I518-L520 PolarHBondContact O-N 3.48Å; I518-H521 PolarHBondContact O-N 3.39Å; I518-H521 PolarHBondContact O-ND1 3.45Å; I518-K522 WeakPolarHBondContact O-CB 3.19Å; I518-K522 PolarHBondContact O-N 3.39Å
519	L	86.1	Confident	82.5	Confident	11 Å²	11	37.4 Å²	37.4	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-39.3	178	-170.1	76.8	0	0	0	111.5	F63 T66 F515 A517 K522 I523	F63-L519 HydrophobicContact CD1-CD1 3.76Å; F63-L519 HydrophobicContact CE1-CB 4.22Å; F63-L519 HydrophobicContact CE1-CD1 4.1Å; T66-L519 HydrophobicContact CG2-CD1 3.76Å; T66-L519 HydrophobicContact CG2-CG 4.36Å; F515-L519 HydrophobicContact CE1-CB 4.38Å; F515-L519 HydrophobicContact CE1-CD2 3.79Å; F515-L519 HydrophobicContact CE1-CG 4.49Å; F515-L519 HydrophobicContact CE2-CD1 4.16Å; F515-L519 HydrophobicContact CZ-CB 4.32Å; F515-L519 HydrophobicContact CZ-CD1 3.86Å; F515-L519 HydrophobicContact CZ-CD2 3.78Å; F515-L519 HydrophobicContact CZ-CG 4.21Å; F515-L519 WeakPolarHBondContact O-CB 3.21Å; F515-L519 PolarHBondContact O-N 3.09Å; A517-L519 VanDerWaalsContact C-N 3.32Å; A517-L519 PolarHBondContact O-N 3.15Å; L519-K522 PolarHBondContact O-N 3.49Å; L519-I523 HydrophobicContact CG-CD1 4.2Å; L519-I523 WeakPolarHBondContact O-CD1 3.25Å; L519-I523 VanDerWaalsContact O-CG1 3.25Å; L519-I523 WeakPolarHBondContact O-CG1 3.14Å; L519-I523 PolarHBondContact O-N 3.02Å
520	L	77.9	Confident	82	Confident	62 Å²	62	29.6 Å²	29.6	33%	0.325	16%	0.156	S	C	.	.	H	α-helix	trans	-66.9	-47.7	-179.9	-172	145.6	0	0	0	111.3	T516 A517 I518 K522 I524 Y643	T516-L520 PolarHBondContact O-N 3.46Å; A517-L520 PolarHBondContact O-N 2.92Å; A517-L520 VanDerWaalsContact O-N 3.08Å; I518-L520 VanDerWaalsContact C-N 3.31Å; I518-L520 PolarHBondContact O-N 3.48Å; L520-K522 VanDerWaalsContact C-N 3.27Å; L520-K522 PolarHBondContact O-N 3.42Å; L520-I524 HydrophobicContact CD2-CD1 3.94Å; L520-I524 WeakPolarHBondContact O-CG1 3.03Å; L520-Y643 HydrophobicContact CB-CE1 4.36Å; L520-Y643 HydrophobicContact CD1-CD2 4.1Å; L520-Y643 HydrophobicContact CD1-CE1 4.36Å; L520-Y643 HydrophobicContact CD1-CE2 3.72Å; L520-Y643 HydrophobicContact CD2-CD1 4.03Å; L520-Y643 HydrophobicContact CD2-CE1 4.03Å; L520-Y643 HydrophobicContact CD2-CG 4.33Å; L520-Y643 HydrophobicContact CG-CE1 4.48Å
521	H	77.5	Confident	81.5	Confident	6 Å²	6	23 Å²	23	3%	0.028	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-45.3	173.8	94.4	-130.4	0	0	0	109.6	E274 E498 A517 I518 I523 I524 I525	E274-H521 IonicContact OE1-CE1 3.43Å; E274-H521 IonicContact OE1-CG 3.68Å; E274-H521 IonicContact OE1-ND1 3.73Å; E274-H521 PolarHBondContact OE1-ND1 3.47Å; E274-H521 WeakPolarHBondContact OE2-CB 2.91Å; E274-H521 IonicContact OE2-CG 3.77Å; E274-H521 IonicContact OE2-ND1 3.66Å; E498-H521 IonicContact OE1-CE1 3.6Å; E498-H521 IonicContact OE1-NE2 3.97Å; E498-H521 IonicContact OE2-NE2 2.7Å; A517-H521 PolarHBondContact O-N 3Å; I518-H521 PolarHBondContact O-N 3.39Å; I518-H521 PolarHBondContact O-ND1 3.45Å; H521-I523 VanDerWaalsContact C-N 3.33Å; H521-I523 PolarHBondContact O-N 2.94Å; H521-I524 PolarHBondContact O-N 2.86Å; H521-I525 WeakPolarHBondContact O-CG1 3.44Å; H521-I525 PolarHBondContact O-N 3.37Å
522	K	84.6	Confident	80.6	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-72	-26.7	-168.6	-164.9	160.9	-170.8	179.8	0	113.2	V67 S495 E498 I518 L519 L520 A526 L568 S572	V67-K522 HydrophobicContact CG2-CD 3.89Å; V67-K522 VanDerWaalsContact CG2-CE 3.42Å; V67-K522 HydrophobicContact CG2-CG 3.94Å; S495-K522 WeakPolarHBondContact OG-CE 3.16Å; S495-K522 PolarHBondContact OG-NZ 3Å; E498-K522 IonicContact OE2-NZ 3.67Å; I518-K522 WeakPolarHBondContact O-CB 3.19Å; I518-K522 PolarHBondContact O-N 3.39Å; L519-K522 PolarHBondContact O-N 3.49Å; L520-K522 VanDerWaalsContact C-N 3.27Å; L520-K522 PolarHBondContact O-N 3.42Å; K522-A526 WeakPolarHBondContact O-CB 3.47Å; K522-A526 PolarHBondContact O-N 3.26Å; K522-L568 PolarHBondContact NZ-O 3.35Å; K522-L568 VanDerWaalsContact NZ-O 3.07Å; K522-S572 PolarHBondContact NZ-OG 2.92Å
523	I	84.9	Confident	79.5	Confident	53 Å²	53	22.7 Å²	22.7	27%	0.272	13%	0.131	S	C	.	.	H	α-helix	trans	-57.9	-51.2	165	-73.5	162.2	0	0	0	110.5	T66 L519 H521 A526 I527	T66-I523 HydrophobicContact CG2-CD1 3.93Å; T66-I523 HydrophobicContact CG2-CG1 3.27Å; L519-I523 HydrophobicContact CG-CD1 4.2Å; L519-I523 WeakPolarHBondContact O-CD1 3.25Å; L519-I523 VanDerWaalsContact O-CG1 3.25Å; L519-I523 WeakPolarHBondContact O-CG1 3.14Å; L519-I523 PolarHBondContact O-N 3.02Å; H521-I523 VanDerWaalsContact C-N 3.33Å; H521-I523 PolarHBondContact O-N 2.94Å; I523-A526 PolarHBondContact O-N 3.22Å; I523-I527 HydrophobicContact CG2-CD1 3.77Å; I523-I527 WeakPolarHBondContact O-CG1 3.37Å; I523-I527 PolarHBondContact O-N 3.36Å
524	I	77.8	Confident	78.7	Confident	30 Å²	30	20 Å²	20	15%	0.154	11%	0.109	C	C	.	.	H	α-helix	trans	-72.3	-38.8	-173.1	-49.7	165.6	0	0	0	110.9	V266 L520 H521 I527 G528	V266-I524 HydrophobicContact CB-CG2 3.93Å; V266-I524 HydrophobicContact CG1-CB 3.83Å; V266-I524 HydrophobicContact CG1-CD1 3.95Å; V266-I524 HydrophobicContact CG1-CG1 4.5Å; V266-I524 HydrophobicContact CG1-CG2 3.39Å; V266-I524 HydrophobicContact CG2-CG2 3.97Å; L520-I524 HydrophobicContact CD2-CD1 3.94Å; L520-I524 WeakPolarHBondContact O-CG1 3.03Å; H521-I524 PolarHBondContact O-N 2.86Å; I524-I527 PolarHBondContact O-N 3.39Å; I524-G528 PolarHBondContact O-N 3.34Å
525	I	78.2	Confident	77.8	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-56.7	-49.7	170.6	-70.6	-158.6	0	0	0	110.9	F267 M491 H521 I527 G528 I529 F606	F267-I525 HydrophobicContact CD1-CD1 4.22Å; F267-I525 HydrophobicContact CD1-CG1 3.93Å; F267-I525 HydrophobicContact CE1-CB 3.91Å; F267-I525 HydrophobicContact CE1-CD1 4.09Å; F267-I525 HydrophobicContact CE1-CG1 3.58Å; F267-I525 HydrophobicContact CE1-CG2 3.98Å; M491-I525 HydrophobicContact CE-CD1 3.46Å; M491-I525 VanDerWaalsContact CE-CD1 3.46Å; M491-I525 HydrophobicContact CE-CG2 4.05Å; M491-I525 HydrophobicContact SD-CD1 4.49Å; H521-I525 WeakPolarHBondContact O-CG1 3.44Å; H521-I525 PolarHBondContact O-N 3.37Å; I525-I527 PolarHBondContact O-N 3.1Å; I525-G528 PolarHBondContact O-N 2.99Å; I525-I529 HydrophobicContact CG2-CD1 3.9Å; I525-I529 WeakPolarHBondContact O-CG1 3.44Å; I525-I529 PolarHBondContact O-N 3.47Å; I525-F606 HydrophobicContact CD1-CE2 4.43Å
526	A	83.1	Confident	76.2	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-36.4	179.3	0	0	0	0	0	112.5	V67 C71 K522 I523 G530	V67-A526 HydrophobicContact CG1-CB 4.39Å; C71-A526 VanDerWaalsContact CA-O 3.29Å; C71-A526 WeakPolarHBondContact CA-O 3.36Å; C71-A526 HydrophobicContact CB-CB 4.34Å; K522-A526 WeakPolarHBondContact O-CB 3.47Å; K522-A526 PolarHBondContact O-N 3.26Å; I523-A526 PolarHBondContact O-N 3.22Å; A526-G530 PolarHBondContact O-N 3.27Å
527	I	81.8	Confident	74.9	Confident	67 Å²	67	22.5 Å²	22.5	34%	0.344	12%	0.123	S	C	.	.	H	α-helix	trans	-64.3	-47.8	171.9	-71.4	167.1	0	0	0	110.7	S70 P74 I523 I524 I525 I529 G530 V531	S70-I527 WeakPolarHBondContact O-CG1 3.11Å; P74-I527 HydrophobicContact CG-CG2 4.23Å; I523-I527 HydrophobicContact CG2-CD1 3.77Å; I523-I527 WeakPolarHBondContact O-CG1 3.37Å; I523-I527 PolarHBondContact O-N 3.36Å; I524-I527 PolarHBondContact O-N 3.39Å; I525-I527 PolarHBondContact O-N 3.1Å; I527-I529 VanDerWaalsContact C-N 3.33Å; I527-I529 PolarHBondContact O-N 3.03Å; I527-G530 CarbonylContact O-C 3.4Å; I527-G530 PolarHBondContact O-N 3.15Å; I527-G530 VanDerWaalsContact O-N 3.1Å; I527-V531 HydrophobicContact CG2-CG2 4.24Å; I527-V531 WeakPolarHBondContact O-CG2 3.44Å; I527-V531 PolarHBondContact O-N 2.7Å
528	G	75.1	Confident	73.6	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-43.1	179.3	0	0	0	0	0	112.4	I524 I525 N532	I524-G528 PolarHBondContact O-N 3.34Å; I525-G528 PolarHBondContact O-N 2.99Å; G528-N532 VanDerWaalsContact O-CB 3.3Å; G528-N532 WeakPolarHBondContact O-CB 3.23Å; G528-N532 VanDerWaalsContact O-CG 3.22Å; G528-N532 PolarHBondContact O-N 3.5Å; G528-N532 PolarHBondContact O-ND2 3.27Å
529	I	77.3	Confident	71.8	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-51	170.5	-68.6	170.5	0	0	0	110.1	L487 I525 I527 V531 N532 L533 L568	L487-I529 HydrophobicContact CD2-CD1 3.78Å; L487-I529 HydrophobicContact CD2-CG1 3.94Å; I525-I529 HydrophobicContact CG2-CD1 3.9Å; I525-I529 WeakPolarHBondContact O-CG1 3.44Å; I525-I529 PolarHBondContact O-N 3.47Å; I527-I529 VanDerWaalsContact C-N 3.33Å; I527-I529 PolarHBondContact O-N 3.03Å; I529-V531 PolarHBondContact O-N 2.83Å; I529-N532 PolarHBondContact O-N 3.44Å; I529-L533 HydrophobicContact CG2-CD1 3.85Å; I529-L533 HydrophobicContact CG2-CD2 4.27Å; I529-L533 WeakPolarHBondContact O-CB 3.46Å; I529-L533 WeakPolarHBondContact O-CD1 3.48Å; I529-L533 PolarHBondContact O-N 2.9Å; I529-L568 HydrophobicContact CD1-CD2 3.57Å
530	G	77.2	Confident	69.6	Low	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-40.7	-179.5	0	0	0	0	0	114.2	A526 I527 A534	A526-G530 PolarHBondContact O-N 3.27Å; I527-G530 CarbonylContact O-C 3.4Å; I527-G530 PolarHBondContact O-N 3.15Å; I527-G530 VanDerWaalsContact O-N 3.1Å; G530-A534 VanDerWaalsContact O-CB 3.31Å; G530-A534 WeakPolarHBondContact O-CB 3.42Å; G530-A534 PolarHBondContact O-N 3.38Å; G530-A534 VanDerWaalsContact O-N 3.13Å
531	V	73.7	Confident	67.5	Low	15 Å²	15	35.4 Å²	35.4	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-44.9	174.8	-171.9	0	0	0	0	110.2	P74 F256 N260 I527 I529 L533 A534 T535	P74-V531 HydrophobicContact CB-CB 4.46Å; P74-V531 HydrophobicContact CB-CG2 3.73Å; P74-V531 HydrophobicContact CG-CG2 3.93Å; F256-V531 HydrophobicContact CD1-CG1 4.35Å; N260-V531 WeakPolarHBondContact OD1-CG1 3.35Å; I527-V531 HydrophobicContact CG2-CG2 4.24Å; I527-V531 WeakPolarHBondContact O-CG2 3.44Å; I527-V531 PolarHBondContact O-N 2.7Å; I529-V531 PolarHBondContact O-N 2.83Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 2.9Å; V531-A534 CarbonylContact O-C 3.52Å; V531-A534 PolarHBondContact O-N 3.43Å; V531-T535 HydrophobicContact CG1-CG2 3.97Å; V531-T535 WeakPolarHBondContact O-CG2 3.2Å; V531-T535 PolarHBondContact O-N 2.9Å; V531-T535 PolarHBondContact O-OG1 3.33Å
532	N	68.8	Low	65.5	Low	24 Å²	24	41.8 Å²	41.8	13%	0.128	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-42.9	177.3	-78.5	-20.6	0	0	0	112.7	G528 I529 T535 N536 L614	G528-N532 VanDerWaalsContact O-CB 3.3Å; G528-N532 WeakPolarHBondContact O-CB 3.23Å; G528-N532 VanDerWaalsContact O-CG 3.22Å; G528-N532 PolarHBondContact O-N 3.5Å; G528-N532 PolarHBondContact O-ND2 3.27Å; I529-N532 PolarHBondContact O-N 3.44Å; N532-T535 PolarHBondContact O-OG1 3.11Å; N532-N536 WeakPolarHBondContact O-CB 3.43Å; N532-N536 PolarHBondContact O-N 3.25Å; N532-N536 PolarHBondContact O-ND2 3.36Å; N532-L614 WeakPolarHBondContact ND2-CD1 2.95Å
533	L	65.7	Low	63	Low	13 Å²	13	45.8 Å²	45.8	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-51	171.6	-92.4	50	0	0	0	110.5	I484 I529 V531 T535 L537 Q561	I484-L533 HydrophobicContact CG2-CD1 4.38Å; I529-L533 HydrophobicContact CG2-CD1 3.85Å; I529-L533 HydrophobicContact CG2-CD2 4.27Å; I529-L533 WeakPolarHBondContact O-CB 3.46Å; I529-L533 WeakPolarHBondContact O-CD1 3.48Å; I529-L533 PolarHBondContact O-N 2.9Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 2.9Å; L533-T535 PolarHBondContact O-N 2.76Å; L533-L537 WeakPolarHBondContact O-CB 3.39Å; L533-L537 WeakPolarHBondContact O-CD1 3.01Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.39Å; L533-L537 PolarHBondContact O-N 2.95Å; L533-L537 VanDerWaalsContact O-N 3.11Å; L533-Q561 HydrophobicContact CD2-CB 3.85Å; L533-Q561 HydrophobicContact CD2-CG 4.27Å; L533-Q561 HydrophobicContact CG-CB 4.18Å; L533-Q561 HydrophobicContact CG-CG 4.06Å
534	A	66.8	Low	60.4	Low	1 Å²	1	48.6 Å²	48.6	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-72.7	-22.6	-176.2	0	0	0	0	0	114.6	V75 I78 G530 V531 N538	V75-A534 HydrophobicContact CG2-CB 4.26Å; I78-A534 HydrophobicContact CB-CB 4.17Å; I78-A534 HydrophobicContact CD1-CB 3.33Å; I78-A534 HydrophobicContact CG1-CB 4.31Å; I78-A534 HydrophobicContact CG2-CB 4.2Å; G530-A534 VanDerWaalsContact O-CB 3.31Å; G530-A534 WeakPolarHBondContact O-CB 3.42Å; G530-A534 PolarHBondContact O-N 3.38Å; G530-A534 VanDerWaalsContact O-N 3.13Å; V531-A534 CarbonylContact O-C 3.52Å; V531-A534 PolarHBondContact O-N 3.43Å; A534-N538 PolarHBondContact O-ND2 3.47Å
535	T	63.9	Low	58	Low	33 Å²	33	53.2 Å²	53.2	20%	0.202	33%	0.326	C	S	.	.	H	α-helix	trans	-83.3	-39.6	172.5	55.5	0	0	0	0	112.1	F256 V531 N532 L533 L537 N538 Q539	F256-T535 HydrophobicContact CB-CG2 4.45Å; V531-T535 HydrophobicContact CG1-CG2 3.97Å; V531-T535 WeakPolarHBondContact O-CG2 3.2Å; V531-T535 PolarHBondContact O-N 2.9Å; V531-T535 PolarHBondContact O-OG1 3.33Å; N532-T535 PolarHBondContact O-OG1 3.11Å; L533-T535 PolarHBondContact O-N 2.76Å; T535-L537 PolarHBondContact O-N 3.28Å; T535-N538 CarbonylContact O-C 3.46Å; T535-N538 WeakPolarHBondContact O-CA 3.29Å; T535-N538 PolarHBondContact O-N 3.16Å; T535-Q539 PolarHBondContact O-N 2.89Å; T535-Q539 VanDerWaalsContact O-N 3.16Å
536	N	56.3	Low	55.7	Low	67 Å²	67	56.5 Å²	56.5	36%	0.358	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-32.5	173.1	-81.3	-95.8	0	0	0	111.6	N532 N538	N532-N536 WeakPolarHBondContact O-CB 3.43Å; N532-N536 PolarHBondContact O-N 3.25Å; N532-N536 PolarHBondContact O-ND2 3.36Å; N536-N538 PolarHBondContact O-N 3.42Å
537	L	53.5	Low	53.2	Low	30 Å²	30	62.2 Å²	62.2	16%	0.157	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.5	170	-78.1	166	0	0	0	114.9	L533 T535 Y554 L557	L533-L537 WeakPolarHBondContact O-CB 3.39Å; L533-L537 WeakPolarHBondContact O-CD1 3.01Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.39Å; L533-L537 PolarHBondContact O-N 2.95Å; L533-L537 VanDerWaalsContact O-N 3.11Å; T535-L537 PolarHBondContact O-N 3.28Å; L537-Y554 HydrophobicContact CD2-CD1 3.79Å; L537-L557 HydrophobicContact CD2-CD2 3.56Å; L537-L557 HydrophobicContact CG-CD2 4.03Å
538	N	51.5	Low	51.2	Low	68 Å²	68	69 Å²	69	36%	0.364	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	0.3	-173.4	-79.1	-61	0	0	0	115.2	I78 K82 A534 T535 N536 P540	I78-N538 VanDerWaalsContact CG2-ND2 3.26Å; I78-N538 WeakPolarHBondContact CG2-ND2 3.43Å; K82-N538 PolarHBondContact NZ-OD1 3.26Å; A534-N538 PolarHBondContact O-ND2 3.47Å; T535-N538 CarbonylContact O-C 3.46Å; T535-N538 WeakPolarHBondContact O-CA 3.29Å; T535-N538 PolarHBondContact O-N 3.16Å; N536-N538 PolarHBondContact O-N 3.42Å; N538-P540 WeakPolarHBondContact O-CD 3.49Å
539	Q	47.1	Very low	49.2	Very low	117 Å²	117	75.1 Å²	75.1	55%	0.547	45%	0.445	S	S	.	.			trans	-68.7	115.1	164	-84.5	-172.5	-16.8	0	0	108.7	T535 S541 E621	T535-Q539 PolarHBondContact O-N 2.89Å; T535-Q539 VanDerWaalsContact O-N 3.16Å; Q539-S541 PolarHBondContact O-N 2.76Å; Q539-E621 PolarHBondContact NE2-OE1 3.48Å
540	P	38.1	Very low	47.4	Very low	100 Å²	100	76.7 Å²	76.7	65%	0.649	46%	0.457	S	S	*	.			trans	-71.1	121.2	167.9	30.7	-30.7	0	0	0	107.3	N538 T542	N538-P540 WeakPolarHBondContact O-CD 3.49Å; P540-T542 WeakPolarHBondContact O-CG2 3.4Å; P540-T542 PolarHBondContact O-N 3.48Å
541	S	35.5	Very low	46	Very low	102 Å²	102	84.9 Å²	84.9	71%	0.713	50%	0.495	S	S	*	.			trans	-55.6	105.2	174.3	-58.7	0	0	0	0	109.6	Q539 S543	Q539-S541 PolarHBondContact O-N 2.76Å; S541-S543 PolarHBondContact O-N 3.4Å
542	T	35.7	Very low	44.5	Very low	141 Å²	141	88.7 Å²	88.7	87%	0.865	52%	0.523	S	S	*	.	S	Bend	trans	-78.8	46.9	-177.8	52.7	0	0	0	0	111.9	P540	P540-T542 WeakPolarHBondContact O-CG2 3.4Å; P540-T542 PolarHBondContact O-N 3.48Å
543	S	30.9	Very low	43.6	Very low	87 Å²	87	90.8 Å²	90.8	61%	0.608	54%	0.539	S	S	*	.	S	Bend	trans	-166.7	125.6	179	52.2	0	0	0	0	106.9	S541	S541-S543 PolarHBondContact O-N 3.4Å
544	S	30.2	Very low	43	Very low	112 Å²	112	96.1 Å²	96.1	78%	0.783	56%	0.559	S	S	*	*			trans	74.1	99.6	-176.1	-52.3	0	0	0	0	115.7	S546	S544-S546 PolarHBondContact O-N 2.85Å
545	S	28.6	Very low	42.6	Very low	127 Å²	127	99.3 Å²	99.3	89%	0.888	58%	0.58	S	S	*	*			trans	-77.4	103.8	171.9	48.5	0	0	0	0	112.1
546	S	29.9	Very low	42.5	Very low	73 Å²	73	102.9 Å²	102.9	51%	0.51	60%	0.595	S	S	.	*			trans	-138.2	61.2	171.5	53	0	0	0	0	111.6	S544 F548 Q549	S544-S546 PolarHBondContact O-N 2.85Å; S546-F548 PolarHBondContact O-N 3.13Å; S546-Q549 PolarHBondContact O-N 3.09Å
547	S	30.4	Very low	42.7	Very low	122 Å²	122	102.5 Å²	102.5	85%	0.853	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	52.7	-172.8	58.2	0	0	0	0	115.2
548	F	39.4	Very low	43.3	Very low	209 Å²	209	105.7 Å²	105.7	92%	0.917	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.4	-19.7	166.4	-143.3	-100.9	0	0	0	113.1	S546	S546-F548 PolarHBondContact O-N 3.13Å
549	Q	33	Very low	44.2	Very low	129 Å²	129	107.6 Å²	107.6	60%	0.603	61%	0.613	S	S	*	*	S	Bend	trans	-81	135.7	179.5	-157.4	167.4	28.3	0	0	110.3	H469 S546	H469-Q549 PolarHBondContact NE2-NE2 3.44Å; H469-Q549 VanDerWaalsContact NE2-NE2 3.16Å; S546-Q549 PolarHBondContact O-N 3.09Å
550	S	39	Very low	45.2	Very low	40 Å²	40	109 Å²	109	28%	0.28	62%	0.615	S	S	.	*			trans	88.8	47.5	172.2	-152.5	0	0	0	0	119.6	S553 Y554	S550-S553 WeakPolarHBondContact OG-CA 3.48Å; S550-S553 WeakPolarHBondContact OG-CB 3.03Å; S550-S553 PolarHBondContact OG-N 3.15Å; S550-S553 VanDerWaalsContact OG-N 3.16Å; S550-S553 PolarHBondContact OG-OG 3.21Å; S550-Y554 WeakPolarHBondContact O-CD2 3.46Å; S550-Y554 WeakPolarHBondContact O-CE2 3.31Å
551	Q	47.1	Very low	46.6	Very low	173 Å²	173	105 Å²	105	81%	0.808	59%	0.587	S	S	*	*	H	α-helix	trans	-68.6	-28.3	145.4	-170.6	165.7	-9.8	0	0	111
552	S	43.5	Very low	48.4	Very low	95 Å²	95	103 Å²	103	66%	0.664	57%	0.573	S	S	*	*	H	α-helix	trans	-74.1	-42.3	-178.7	-174.5	0	0	0	0	114.1	Y554 C555 H556	S552-Y554 VanDerWaalsContact C-N 3.34Å; S552-Y554 PolarHBondContact O-N 3.39Å; S552-C555 WeakPolarHBondContact O-CA 3.48Å; S552-C555 VanDerWaalsContact O-CB 3.27Å; S552-C555 WeakPolarHBondContact O-CB 3.32Å; S552-C555 PolarHBondContact O-N 3.37Å; S552-H556 PolarHBondContact O-N 2.83Å
553	S	50.2	Low	50.5	Low	67 Å²	67	100.6 Å²	100.6	47%	0.469	55%	0.554	S	S	.	*	H	α-helix	trans	-77.6	-17	-178.3	-25.2	0	0	0	0	113.5	S550 C555 H556 L557	S550-S553 WeakPolarHBondContact OG-CA 3.48Å; S550-S553 WeakPolarHBondContact OG-CB 3.03Å; S550-S553 PolarHBondContact OG-N 3.15Å; S550-S553 VanDerWaalsContact OG-N 3.16Å; S550-S553 PolarHBondContact OG-OG 3.21Å; S553-C555 VanDerWaalsContact C-N 3.33Å; S553-H556 PolarHBondContact O-N 2.79Å; S553-L557 VanDerWaalsContact O-CB 3.31Å; S553-L557 WeakPolarHBondContact O-CB 3.37Å; S553-L557 PolarHBondContact O-N 3.25Å
554	Y	52.5	Low	52.9	Low	125 Å²	125	96.7 Å²	96.7	49%	0.49	53%	0.527	S	S	.	.	H	α-helix	trans	-59.9	-45.3	161.8	-67.6	-53.6	0	0	0	110.8	L537 S550 S552 F558	L537-Y554 HydrophobicContact CD2-CD1 3.79Å; S550-Y554 WeakPolarHBondContact O-CD2 3.46Å; S550-Y554 WeakPolarHBondContact O-CE2 3.31Å; S552-Y554 VanDerWaalsContact C-N 3.34Å; S552-Y554 PolarHBondContact O-N 3.39Å; Y554-F558 WeakPolarHBondContact O-CB 3.31Å; Y554-F558 PolarHBondContact O-N 2.97Å
555	C	58.4	Low	55.3	Low	68 Å²	68	92 Å²	92	46%	0.459	49%	0.494	S	S	.	.	H	α-helix	trans	-62.2	-48	175.5	-170.2	0	0	0	0	110.7	S552 S553 L557 F558 M559	S552-C555 WeakPolarHBondContact O-CA 3.48Å; S552-C555 VanDerWaalsContact O-CB 3.27Å; S552-C555 WeakPolarHBondContact O-CB 3.32Å; S552-C555 PolarHBondContact O-N 3.37Å; S553-C555 VanDerWaalsContact C-N 3.33Å; C555-L557 PolarHBondContact O-N 3.44Å; C555-F558 PolarHBondContact O-N 3.39Å; C555-M559 WeakPolarHBondContact O-CB 3.4Å; C555-M559 VanDerWaalsContact O-CG 3.29Å; C555-M559 WeakPolarHBondContact O-CG 3.42Å; C555-M559 PolarHBondContact O-N 3.37Å
556	H	61.4	Low	58	Low	108 Å²	108	89.9 Å²	89.9	50%	0.5	47%	0.472	S	S	.	.	H	α-helix	trans	-55.8	-53.8	177.3	-159.1	-115.8	0	0	0	111.9	S552 S553 F558 M559 Y560	S552-H556 PolarHBondContact O-N 2.83Å; S553-H556 PolarHBondContact O-N 2.79Å; H556-F558 PolarHBondContact O-N 2.72Å; H556-M559 WeakPolarHBondContact O-CB 3.44Å; H556-M559 PolarHBondContact O-N 2.94Å; H556-M559 VanDerWaalsContact O-N 3.15Å; H556-Y560 AromaticContact CD2-CE2 3.93Å; H556-Y560 AromaticContact CE1-CE2 3.46Å; H556-Y560 VanDerWaalsContact CE1-CE2 3.46Å; H556-Y560 WeakPolarHBondContact CE1-CE2 3.17Å; H556-Y560 AromaticContact CG-CE2 3.93Å; H556-Y560 AromaticContact ND1-CE2 3.63Å; H556-Y560 AromaticContact NE2-CE2 3.65Å; H556-Y560 WeakPolarHBondContact O-CD2 3.42Å; H556-Y560 PolarHBondContact O-N 3.24Å; H556-Y560 VanDerWaalsContact O-N 3.13Å
557	L	61.3	Low	60.8	Low	59 Å²	59	90.7 Å²	90.7	31%	0.309	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-43.8	179.9	-162.9	100.5	0	0	0	111.6	V481 L537 S553 C555 M559 Y560 Q561	V481-L557 HydrophobicContact CG2-CD1 4.33Å; L537-L557 HydrophobicContact CD2-CD2 3.56Å; L537-L557 HydrophobicContact CG-CD2 4.03Å; S553-L557 VanDerWaalsContact O-CB 3.31Å; S553-L557 WeakPolarHBondContact O-CB 3.37Å; S553-L557 PolarHBondContact O-N 3.25Å; C555-L557 PolarHBondContact O-N 3.44Å; L557-M559 VanDerWaalsContact C-N 3.3Å; L557-M559 PolarHBondContact O-N 3.47Å; L557-Y560 PolarHBondContact O-N 3.22Å; L557-Q561 WeakPolarHBondContact O-CB 3.39Å; L557-Q561 VanDerWaalsContact O-CG 3.27Å; L557-Q561 WeakPolarHBondContact O-CG 3.3Å; L557-Q561 PolarHBondContact O-N 3.47Å
558	F	66.1	Low	63.6	Low	98 Å²	98	85.1 Å²	85.1	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-35.6	175.1	179.2	-104.9	0	0	0	112.1	V75 Y554 C555 H556 Q561 S562	V75-F558 HydrophobicContact CG1-CD2 4.47Å; V75-F558 HydrophobicContact CG1-CE2 4.05Å; Y554-F558 WeakPolarHBondContact O-CB 3.31Å; Y554-F558 PolarHBondContact O-N 2.97Å; C555-F558 PolarHBondContact O-N 3.39Å; H556-F558 PolarHBondContact O-N 2.72Å; F558-Q561 PolarHBondContact O-N 2.9Å; F558-S562 WeakPolarHBondContact O-CB 3.24Å; F558-S562 PolarHBondContact O-N 3.49Å
559	M	69	Low	66	Low	107 Å²	107	75.1 Å²	75.1	53%	0.527	39%	0.387	S	S	.	.	H	α-helix	trans	-65.6	-49.2	174.9	-75.2	177.8	73.2	0	0	111.8	C555 H556 L557 Q561 S562 I563	C555-M559 WeakPolarHBondContact O-CB 3.4Å; C555-M559 VanDerWaalsContact O-CG 3.29Å; C555-M559 WeakPolarHBondContact O-CG 3.42Å; C555-M559 PolarHBondContact O-N 3.37Å; H556-M559 WeakPolarHBondContact O-CB 3.44Å; H556-M559 PolarHBondContact O-N 2.94Å; H556-M559 VanDerWaalsContact O-N 3.15Å; L557-M559 VanDerWaalsContact C-N 3.3Å; L557-M559 PolarHBondContact O-N 3.47Å; M559-Q561 VanDerWaalsContact C-N 3.3Å; M559-Q561 PolarHBondContact O-N 2.86Å; M559-S562 PolarHBondContact O-N 3.46Å; M559-I563 WeakPolarHBondContact O-CB 3.38Å; M559-I563 WeakPolarHBondContact O-CD1 3.33Å; M559-I563 VanDerWaalsContact O-CG1 3.23Å; M559-I563 WeakPolarHBondContact O-CG1 3.44Å; M559-I563 PolarHBondContact O-N 3.4Å
560	Y	68.2	Low	68.8	Low	148 Å²	148	71.7 Å²	71.7	58%	0.58	38%	0.376	S	S	*	.	H	α-helix	trans	-62.6	-38	175.7	-70.8	-77.7	0	0	0	112.4	H556 L557 G564	H556-Y560 AromaticContact CD2-CE2 3.93Å; H556-Y560 AromaticContact CE1-CE2 3.46Å; H556-Y560 VanDerWaalsContact CE1-CE2 3.46Å; H556-Y560 WeakPolarHBondContact CE1-CE2 3.17Å; H556-Y560 AromaticContact CG-CE2 3.93Å; H556-Y560 AromaticContact ND1-CE2 3.63Å; H556-Y560 AromaticContact NE2-CE2 3.65Å; H556-Y560 WeakPolarHBondContact O-CD2 3.42Å; H556-Y560 PolarHBondContact O-N 3.24Å; H556-Y560 VanDerWaalsContact O-N 3.13Å; L557-Y560 PolarHBondContact O-N 3.22Å; Y560-G564 PolarHBondContact O-N 3.37Å
561	Q	67.7	Low	71.3	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.075	37%	0.365	C	S	.	.	H	α-helix	trans	-70.9	-33.5	176.9	-72.4	173.5	-15	0	0	112.6	L533 L557 F558 M559 G564 T565	L533-Q561 HydrophobicContact CD2-CB 3.85Å; L533-Q561 HydrophobicContact CD2-CG 4.27Å; L533-Q561 HydrophobicContact CG-CB 4.18Å; L533-Q561 HydrophobicContact CG-CG 4.06Å; L557-Q561 WeakPolarHBondContact O-CB 3.39Å; L557-Q561 VanDerWaalsContact O-CG 3.27Å; L557-Q561 WeakPolarHBondContact O-CG 3.3Å; L557-Q561 PolarHBondContact O-N 3.47Å; F558-Q561 PolarHBondContact O-N 2.9Å; M559-Q561 VanDerWaalsContact C-N 3.3Å; M559-Q561 PolarHBondContact O-N 2.86Å; Q561-G564 PolarHBondContact O-N 2.93Å; Q561-T565 WeakPolarHBondContact O-CB 3.19Å; Q561-T565 PolarHBondContact O-N 3.29Å; Q561-T565 PolarHBondContact O-OG1 2.93Å
562	S	73.7	Confident	73.5	Confident	59 Å²	59	61.9 Å²	61.9	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-72.2	-40.4	173.5	-174	0	0	0	0	111.7	F558 M559 G564 T565 L566	F558-S562 WeakPolarHBondContact O-CB 3.24Å; F558-S562 PolarHBondContact O-N 3.49Å; M559-S562 PolarHBondContact O-N 3.46Å; S562-G564 VanDerWaalsContact C-N 3.3Å; S562-T565 PolarHBondContact O-N 2.84Å; S562-L566 WeakPolarHBondContact O-CB 3.06Å; S562-L566 PolarHBondContact O-N 2.88Å
563	I	81.1	Confident	75.9	Confident	90 Å²	90	58.1 Å²	58.1	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-44.2	170.7	-69.6	162.5	0	0	0	109.4	M559 L566 I567	M559-I563 WeakPolarHBondContact O-CB 3.38Å; M559-I563 WeakPolarHBondContact O-CD1 3.33Å; M559-I563 VanDerWaalsContact O-CG1 3.23Å; M559-I563 WeakPolarHBondContact O-CG1 3.44Å; M559-I563 PolarHBondContact O-N 3.4Å; I563-L566 WeakPolarHBondContact O-CB 3.4Å; I563-L566 PolarHBondContact O-N 3.42Å; I563-I567 HydrophobicContact CG2-CD1 4.18Å; I563-I567 WeakPolarHBondContact O-CG1 3.34Å; I563-I567 PolarHBondContact O-N 2.93Å
564	G	79.9	Confident	78	Confident	5 Å²	5	60.7 Å²	60.7	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-49.6	176.4	0	0	0	0	0	113	L488 Y560 Q561 S562 L566 I567 L568	L488-G564 WeakPolarHBondContact CD1-O 3.46Å; Y560-G564 PolarHBondContact O-N 3.37Å; Q561-G564 PolarHBondContact O-N 2.93Å; S562-G564 VanDerWaalsContact C-N 3.3Å; G564-L566 PolarHBondContact O-N 3.42Å; G564-I567 WeakPolarHBondContact O-CB 3.19Å; G564-I567 PolarHBondContact O-N 2.94Å; G564-L568 PolarHBondContact O-N 3.46Å
565	T	80.1	Confident	79.9	Confident	15 Å²	15	54.7 Å²	54.7	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-35.9	175.9	-55.4	0	0	0	0	111.6	L68 C71 Q561 S562 L568 A569	L68-T565 HydrophobicContact CD2-CG2 4.31Å; C71-T565 HydrophobicContact CB-CG2 3.64Å; Q561-T565 WeakPolarHBondContact O-CB 3.19Å; Q561-T565 PolarHBondContact O-N 3.29Å; Q561-T565 PolarHBondContact O-OG1 2.93Å; S562-T565 PolarHBondContact O-N 2.84Å; T565-L568 PolarHBondContact O-N 3.46Å; T565-A569 VanDerWaalsContact O-CB 3.31Å; T565-A569 WeakPolarHBondContact O-CB 3.44Å; T565-A569 PolarHBondContact O-N 3.34Å
566	L	87.1	Confident	81.6	Confident	82 Å²	82	51.5 Å²	51.5	43%	0.429	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-40.9	174.5	-177.3	64.6	0	0	0	112	F64 S562 I563 G564 A569 C570	F64-L566 HydrophobicContact CE2-CD1 3.9Å; F64-L566 HydrophobicContact CZ-CD1 4.07Å; S562-L566 WeakPolarHBondContact O-CB 3.06Å; S562-L566 PolarHBondContact O-N 2.88Å; I563-L566 WeakPolarHBondContact O-CB 3.4Å; I563-L566 PolarHBondContact O-N 3.42Å; G564-L566 PolarHBondContact O-N 3.42Å; L566-A569 PolarHBondContact O-N 2.82Å; L566-C570 WeakPolarHBondContact O-CB 3.47Å; L566-C570 PolarHBondContact O-N 3.48Å; L566-C570 PolarHBondContact O-SG 3.27Å
567	I	88.8	Confident	83.1	Confident	90 Å²	90	51 Å²	51	46%	0.462	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-45.7	174	-66.1	162.3	0	0	0	110.6	I563 G564 A569 C570 S571	I563-I567 HydrophobicContact CG2-CD1 4.18Å; I563-I567 WeakPolarHBondContact O-CG1 3.34Å; I563-I567 PolarHBondContact O-N 2.93Å; G564-I567 WeakPolarHBondContact O-CB 3.19Å; G564-I567 PolarHBondContact O-N 2.94Å; I567-A569 VanDerWaalsContact C-N 3.31Å; I567-A569 PolarHBondContact O-N 3.15Å; I567-C570 PolarHBondContact O-N 2.87Å; I567-S571 PolarHBondContact O-N 2.82Å
568	L	87.8	Confident	84.5	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-23.9	177.3	-178.6	60.5	0	0	0	113.9	V67 L488 M491 K522 I529 G564 T565 S571	V67-L568 HydrophobicContact CG1-CG 4.4Å; L488-L568 HydrophobicContact CD1-CB 3.96Å; L488-L568 HydrophobicContact CD1-CD2 4.14Å; M491-L568 HydrophobicContact CB-CD1 3.72Å; M491-L568 HydrophobicContact CB-CD2 4.36Å; K522-L568 PolarHBondContact NZ-O 3.35Å; K522-L568 VanDerWaalsContact NZ-O 3.07Å; I529-L568 HydrophobicContact CD1-CD2 3.57Å; G564-L568 PolarHBondContact O-N 3.46Å; T565-L568 PolarHBondContact O-N 3.46Å; L568-S571 PolarHBondContact O-OG 3.32Å
569	A	89.8	Confident	85.7	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-77.1	-35.8	170.8	0	0	0	0	0	111.7	F64 V67 L68 T565 L566 I567 P573	F64-A569 HydrophobicContact CD2-CB 3.84Å; F64-A569 HydrophobicContact CE2-CB 4.07Å; V67-A569 HydrophobicContact CB-CB 3.96Å; V67-A569 HydrophobicContact CG1-CB 3.87Å; L68-A569 HydrophobicContact CD2-CB 3.82Å; L68-A569 HydrophobicContact CG-CB 3.82Å; T565-A569 VanDerWaalsContact O-CB 3.31Å; T565-A569 WeakPolarHBondContact O-CB 3.44Å; T565-A569 PolarHBondContact O-N 3.34Å; L566-A569 PolarHBondContact O-N 2.82Å; I567-A569 VanDerWaalsContact C-N 3.31Å; I567-A569 PolarHBondContact O-N 3.15Å; A569-P573 WeakPolarHBondContact O-CD 3.48Å; A569-P573 WeakPolarHBondContact O-CG 3.23Å
570	C	91.9	Very high	86.7	Confident	57 Å²	57	42.6 Å²	42.6	39%	0.385	22%	0.224	S	C	.	.	H	α-helix	trans	-77.8	-22.2	178.1	-72.7	0	0	0	0	114.2	L566 I567 P573 F574	L566-C570 WeakPolarHBondContact O-CB 3.47Å; L566-C570 PolarHBondContact O-N 3.48Å; L566-C570 PolarHBondContact O-SG 3.27Å; I567-C570 PolarHBondContact O-N 2.87Å; C570-P573 WeakPolarHBondContact O-CD 3.44Å; C570-F574 VanDerWaalsContact O-CB 3.27Å; C570-F574 WeakPolarHBondContact O-CB 3.31Å; C570-F574 PolarHBondContact O-N 3.16Å
571	S	92.4	Very high	87.6	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-52.8	-174	54.4	0	0	0	0	114.6	S492 S495 I567 L568 F574 G575	S492-S571 WeakPolarHBondContact O-CB 3.49Å; S495-S571 WeakPolarHBondContact CB-OG 3.27Å; I567-S571 PolarHBondContact O-N 2.82Å; L568-S571 PolarHBondContact O-OG 3.32Å; S571-F574 PolarHBondContact O-N 3.06Å; S571-G575 PolarHBondContact O-N 3.23Å
572	S	92.1	Very high	88.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-42.5	176.6	-45.2	0	0	0	0	113.4	S495 E498 K522 F574 G575 V576	S495-S572 WeakPolarHBondContact CB-OG 3.14Å; S495-S572 WeakPolarHBondContact O-CA 3.34Å; S495-S572 PolarHBondContact O-N 2.86Å; S495-S572 PolarHBondContact O-OG 3.46Å; E498-S572 PolarHBondContact OE2-OG 3.19Å; K522-S572 PolarHBondContact NZ-OG 2.92Å; S572-F574 VanDerWaalsContact C-N 3.3Å; S572-F574 PolarHBondContact O-N 3.45Å; S572-G575 PolarHBondContact O-N 3.12Å; S572-V576 WeakPolarHBondContact O-CG2 3.36Å; S572-V576 PolarHBondContact O-N 3.1Å
573	P	93.5	Very high	89.1	Confident	17 Å²	17	40.4 Å²	40.4	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-55.2	-43.3	171	-22.8	27.8	0	0	0	113.2	A60 F64 A569 C570 V576 L577	A60-P573 HydrophobicContact CB-CB 4.17Å; A60-P573 WeakPolarHBondContact O-CG 3.46Å; F64-P573 HydrophobicContact CB-CG 3.78Å; F64-P573 HydrophobicContact CD2-CG 4.49Å; A569-P573 WeakPolarHBondContact O-CD 3.48Å; A569-P573 WeakPolarHBondContact O-CG 3.23Å; C570-P573 WeakPolarHBondContact O-CD 3.44Å; P573-V576 PolarHBondContact O-N 3.07Å; P573-L577 WeakPolarHBondContact O-CB 3.48Å; P573-L577 VanDerWaalsContact O-CG 3.27Å; P573-L577 WeakPolarHBondContact O-CG 3.4Å; P573-L577 PolarHBondContact O-N 3.33Å
574	F	94.5	Very high	88.8	Confident	120 Å²	120	45.1 Å²	45.1	53%	0.526	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-46.3	174.7	176.6	-98.1	0	0	0	111.3	I496 C570 S571 S572 V576 L577 V578	I496-F574 HydrophobicContact CD1-CD1 4.33Å; I496-F574 HydrophobicContact CG1-CD1 4.18Å; I496-F574 HydrophobicContact CG2-CD1 4.26Å; I496-F574 HydrophobicContact CG2-CE1 4.45Å; C570-F574 VanDerWaalsContact O-CB 3.27Å; C570-F574 WeakPolarHBondContact O-CB 3.31Å; C570-F574 PolarHBondContact O-N 3.16Å; S571-F574 PolarHBondContact O-N 3.06Å; S572-F574 VanDerWaalsContact C-N 3.3Å; S572-F574 PolarHBondContact O-N 3.45Å; F574-V576 PolarHBondContact O-N 3.44Å; F574-L577 PolarHBondContact O-N 3.12Å; F574-V578 HydrophobicContact CD1-CG2 4.29Å; F574-V578 HydrophobicContact CD2-CG2 4.42Å; F574-V578 HydrophobicContact CE1-CG2 3.94Å; F574-V578 HydrophobicContact CE2-CG2 4.07Å; F574-V578 HydrophobicContact CZ-CG2 3.81Å; F574-V578 WeakPolarHBondContact O-CG2 3.14Å; F574-V578 PolarHBondContact O-N 2.7Å
575	G	93.7	Very high	88.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-49.4	173.4	0	0	0	0	0	112.9	I496 G499 L500 S571 S572 L577 V578 G579	I496-G575 VanDerWaalsContact O-CA 3.29Å; I496-G575 WeakPolarHBondContact O-CA 3.29Å; G499-G575 CarbonylContact O-C 3.51Å; L500-G575 WeakPolarHBondContact CA-O 3.34Å; L500-G575 PolarHBondContact N-O 2.96Å; S571-G575 PolarHBondContact O-N 3.23Å; S572-G575 PolarHBondContact O-N 3.12Å; G575-L577 PolarHBondContact O-N 2.93Å; G575-V578 PolarHBondContact O-N 3.03Å; G575-G579 PolarHBondContact O-N 3.4Å
576	V	92.9	Very high	88.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-44.6	178.3	175.3	0	0	0	0	111	K56 A60 F63 G499 V502 S572 P573 F574 G579 C580	K56-V576 HydrophobicContact CB-CG1 4.11Å; A60-V576 HydrophobicContact CB-CB 4.07Å; A60-V576 HydrophobicContact CB-CG1 4.05Å; F63-V576 HydrophobicContact CD2-CG2 4.26Å; F63-V576 HydrophobicContact CE2-CG2 4.13Å; G499-V576 VanDerWaalsContact C-N 3.34Å; G499-V576 WeakPolarHBondContact O-CA 3Å; G499-V576 VanDerWaalsContact O-CG2 3.32Å; G499-V576 WeakPolarHBondContact O-CG2 2.97Å; G499-V576 PolarHBondContact O-N 3.27Å; V502-V576 HydrophobicContact CB-CG2 4.22Å; V502-V576 HydrophobicContact CG1-CG2 4.21Å; S572-V576 WeakPolarHBondContact O-CG2 3.36Å; S572-V576 PolarHBondContact O-N 3.1Å; P573-V576 PolarHBondContact O-N 3.07Å; F574-V576 PolarHBondContact O-N 3.44Å; V576-G579 PolarHBondContact O-N 3.11Å; V576-C580 WeakPolarHBondContact O-CB 3.43Å; V576-C580 PolarHBondContact O-N 2.86Å; V576-C580 PolarHBondContact O-SG 3.26Å
577	L	92.7	Very high	87.8	Confident	98 Å²	98	59.4 Å²	59.4	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-41	178.3	-70.8	169.4	0	0	0	112.4	V57 P573 F574 G575 G581	V57-L577 HydrophobicContact CG2-CD2 4.47Å; P573-L577 WeakPolarHBondContact O-CB 3.48Å; P573-L577 VanDerWaalsContact O-CG 3.27Å; P573-L577 WeakPolarHBondContact O-CG 3.4Å; P573-L577 PolarHBondContact O-N 3.33Å; F574-L577 PolarHBondContact O-N 3.12Å; G575-L577 PolarHBondContact O-N 2.93Å; L577-G581 PolarHBondContact O-N 2.96Å; L577-G581 VanDerWaalsContact O-N 3.08Å
578	V	92.2	Very high	87.5	Confident	52 Å²	52	57.6 Å²	57.6	32%	0.315	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-44.4	175.1	172.9	0	0	0	0	110.8	L500 F574 G575 C580 G581 L582	L500-V578 HydrophobicContact CD1-CB 4.26Å; L500-V578 HydrophobicContact CD1-CG1 3.75Å; F574-V578 HydrophobicContact CD1-CG2 4.29Å; F574-V578 HydrophobicContact CD2-CG2 4.42Å; F574-V578 HydrophobicContact CE1-CG2 3.94Å; F574-V578 HydrophobicContact CE2-CG2 4.07Å; F574-V578 HydrophobicContact CZ-CG2 3.81Å; F574-V578 WeakPolarHBondContact O-CG2 3.14Å; F574-V578 PolarHBondContact O-N 2.7Å; G575-V578 PolarHBondContact O-N 3.03Å; V578-C580 PolarHBondContact O-N 2.77Å; V578-G581 PolarHBondContact O-N 3.14Å; V578-L582 HydrophobicContact CG1-CD1 3.74Å; V578-L582 HydrophobicContact CG1-CG 4.41Å; V578-L582 WeakPolarHBondContact O-CB 3.38Å; V578-L582 VanDerWaalsContact O-CG 3.3Å; V578-L582 WeakPolarHBondContact O-CG 3.15Å; V578-L582 PolarHBondContact O-N 2.96Å
579	G	91.1	Very high	87.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-43.7	175.9	0	0	0	0	0	112.6	G503 G575 V576 G581 L582 M583	G503-G579 CarbonylContact O-C 3.58Å; G575-G579 PolarHBondContact O-N 3.4Å; V576-G579 PolarHBondContact O-N 3.11Å; G579-G581 PolarHBondContact O-N 3.2Å; G579-L582 PolarHBondContact O-N 2.89Å; G579-M583 WeakPolarHBondContact O-CG 3.13Å; G579-M583 PolarHBondContact O-N 3.5Å; G579-M583 VanDerWaalsContact O-N 3.16Å
580	C	89.1	Confident	87.3	Confident	35 Å²	35	64 Å²	64	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-56.7	-47.8	172.7	-73.5	0	0	0	0	112.1	K56 G503 V576 V578 L582 M583	K56-C580 WeakPolarHBondContact CD-SG 3.37Å; G503-C580 PolarHBondContact O-N 3.2Å; V576-C580 WeakPolarHBondContact O-CB 3.43Å; V576-C580 PolarHBondContact O-N 2.86Å; V576-C580 PolarHBondContact O-SG 3.26Å; V578-C580 PolarHBondContact O-N 2.77Å; C580-L582 VanDerWaalsContact C-N 3.28Å; C580-L582 PolarHBondContact O-N 3.21Å; C580-M583 WeakPolarHBondContact O-CB 3.46Å; C580-M583 PolarHBondContact O-N 2.84Å
581	G	88.3	Confident	87	Confident	57 Å²	57	63.8 Å²	63.8	59%	0.588	34%	0.341	S	S	*	.	H	α-helix	trans	-64.6	-32.1	178.8	0	0	0	0	0	113.2	L577 V578 G579	L577-G581 PolarHBondContact O-N 2.96Å; L577-G581 VanDerWaalsContact O-N 3.08Å; V578-G581 PolarHBondContact O-N 3.14Å; G579-G581 PolarHBondContact O-N 3.2Å
582	L	89.1	Confident	86.8	Confident	41 Å²	41	63.6 Å²	63.6	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-79.4	-15.4	179	-71.3	169.2	0	0	0	114.1	L500 L504 V578 G579 C580 Q584 Q585 L591	L500-L582 HydrophobicContact CD1-CD1 4.06Å; L504-L582 HydrophobicContact CD2-CB 4.05Å; V578-L582 HydrophobicContact CG1-CD1 3.74Å; V578-L582 HydrophobicContact CG1-CG 4.41Å; V578-L582 WeakPolarHBondContact O-CB 3.38Å; V578-L582 VanDerWaalsContact O-CG 3.3Å; V578-L582 WeakPolarHBondContact O-CG 3.15Å; V578-L582 PolarHBondContact O-N 2.96Å; G579-L582 PolarHBondContact O-N 2.89Å; C580-L582 VanDerWaalsContact C-N 3.28Å; C580-L582 PolarHBondContact O-N 3.21Å; L582-Q584 PolarHBondContact O-N 3.07Å; L582-Q584 VanDerWaalsContact O-N 3.08Å; L582-Q585 PolarHBondContact O-N 3.46Å; L582-Q585 VanDerWaalsContact O-O 3.07Å; L582-L591 HydrophobicContact CD1-CD2 3.84Å
583	M	82	Confident	86.7	Confident	79 Å²	79	66.9 Å²	66.9	39%	0.389	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.6	179.4	-68.2	-171.3	76.7	0	0	114.1	L52 K56 G579 C580	L52-M583 HydrophobicContact CD2-CE 4.46Å; K56-M583 PolarHBondContact NZ-SD 3.02Å; G579-M583 WeakPolarHBondContact O-CG 3.13Å; G579-M583 PolarHBondContact O-N 3.5Å; G579-M583 VanDerWaalsContact O-N 3.16Å; C580-M583 WeakPolarHBondContact O-CB 3.46Å; C580-M583 PolarHBondContact O-N 2.84Å
584	Q	76.8	Confident	86.6	Confident	190 Å²	190	68.5 Å²	68.5	89%	0.888	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.1	179.6	-64.3	-176.1	-11.6	0	0	113.2	L582	L582-Q584 PolarHBondContact O-N 3.07Å; L582-Q584 VanDerWaalsContact O-N 3.08Å
585	Q	79.9	Confident	86.3	Confident	126 Å²	126	63.5 Å²	63.5	59%	0.589	35%	0.347	S	S	*	.	S	Bend	trans	-101.5	130.8	-179.2	-176.8	173.8	-23.6	0	0	110	L582 Q587	L582-Q585 PolarHBondContact O-N 3.46Å; L582-Q585 VanDerWaalsContact O-O 3.07Å; Q585-Q587 PolarHBondContact O-N 2.8Å
586	K	71.3	Confident	86.2	Confident	198 Å²	198	63.6 Å²	63.6	86%	0.861	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-57.7	116.9	170.8	-176.3	176.4	-179.7	177.8	0	109.2	S588	K586-S588 PolarHBondContact O-N 3.16Å; K586-S588 VanDerWaalsContact O-N 3.17Å
587	Q	72.9	Confident	86.3	Confident	78 Å²	78	65.6 Å²	65.6	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-51.8	120.2	-178.1	-174.9	172.4	-24.3	0	0	110.3	Q585 T592	Q585-Q587 PolarHBondContact O-N 2.8Å; Q587-T592 PolarHBondContact NE2-OG1 2.9Å
588	S	84.2	Confident	86.3	Confident	52 Å²	52	64.8 Å²	64.8	36%	0.364	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-78.3	136.9	179.1	178	0	0	0	0	109.6	K586 V590 L591 T592	K586-S588 PolarHBondContact O-N 3.16Å; K586-S588 VanDerWaalsContact O-N 3.17Å; S588-V590 PolarHBondContact O-N 2.98Å; S588-V590 VanDerWaalsContact O-N 3.08Å; S588-V590 PolarHBondContact OG-N 3.28Å; S588-L591 WeakPolarHBondContact O-CA 3.33Å; S588-L591 WeakPolarHBondContact O-CB 3.24Å; S588-L591 PolarHBondContact O-N 3.37Å; S588-T592 PolarHBondContact O-N 3.28Å; S588-T592 VanDerWaalsContact O-N 3.13Å; S588-T592 PolarHBondContact O-OG1 3.47Å
589	A	86.3	Confident	86.2	Confident	26 Å²	26	63.3 Å²	63.3	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-25.4	174.6	0	0	0	0	0	112.7	Q289 L290 M593	Q289-A589 HydrophobicContact CB-CB 4Å; L290-A589 HydrophobicContact CD2-CB 3.67Å; L290-A589 HydrophobicContact CG-CB 4.16Å; A589-M593 WeakPolarHBondContact O-CB 3.36Å; A589-M593 PolarHBondContact O-N 3.43Å
590	V	87.1	Confident	86.4	Confident	111 Å²	111	63.3 Å²	63.3	67%	0.673	35%	0.345	S	S	*	.	H	α-helix	trans	-69.6	-33.3	173	-176.3	0	0	0	0	111.8	S588 S594	S588-V590 PolarHBondContact O-N 2.98Å; S588-V590 VanDerWaalsContact O-N 3.08Å; S588-V590 PolarHBondContact OG-N 3.28Å; V590-S594 WeakPolarHBondContact O-CB 3.27Å; V590-S594 PolarHBondContact O-N 2.88Å; V590-S594 PolarHBondContact O-OG 3.17Å
591	L	85.8	Confident	86.6	Confident	54 Å²	54	63.7 Å²	63.7	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-71.8	-50.7	174.9	180	63.8	0	0	0	110.1	L582 S588 M593 S594 T595	L582-L591 HydrophobicContact CD1-CD2 3.84Å; S588-L591 WeakPolarHBondContact O-CA 3.33Å; S588-L591 WeakPolarHBondContact O-CB 3.24Å; S588-L591 PolarHBondContact O-N 3.37Å; L591-M593 VanDerWaalsContact C-N 3.28Å; L591-M593 PolarHBondContact O-N 3.48Å; L591-S594 PolarHBondContact O-N 3.38Å; L591-S594 PolarHBondContact O-OG 2.9Å; L591-T595 HydrophobicContact CD1-CG2 4.16Å; L591-T595 HydrophobicContact CG-CG2 4.45Å; L591-T595 PolarHBondContact O-N 3.36Å; L591-T595 PolarHBondContact O-OG1 3.14Å; L591-T595 VanDerWaalsContact O-OG1 3.13Å
592	T	87.8	Confident	86.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-41.2	177.5	-39.9	0	0	0	0	111.7	E285 A286 Q289 Q587 S588 T595 A596	E285-T592 HydrophobicContact CB-CG2 3.87Å; A286-T592 HydrophobicContact CB-CG2 4.08Å; Q289-T592 PolarHBondContact NE2-OG1 3.44Å; Q289-T592 VanDerWaalsContact OE1-CB 3.31Å; Q289-T592 PolarHBondContact OE1-OG1 3.31Å; Q587-T592 PolarHBondContact NE2-OG1 2.9Å; S588-T592 PolarHBondContact O-N 3.28Å; S588-T592 VanDerWaalsContact O-N 3.13Å; S588-T592 PolarHBondContact O-OG1 3.47Å; T592-T595 WeakPolarHBondContact CA-OG1 3.45Å; T592-T595 PolarHBondContact O-OG1 3.44Å; T592-A596 WeakPolarHBondContact O-CB 3.41Å; T592-A596 PolarHBondContact O-N 3.46Å
593	M	90	Very high	86.9	Confident	69 Å²	69	59.2 Å²	59.2	34%	0.34	31%	0.308	S	S	.	.	H	α-helix	trans	-68.6	-37.1	175.8	-172.2	63.9	-175.7	0	0	112.6	A286 L290 A589 L591 V597	A286-M593 HydrophobicContact CB-CB 4.31Å; A286-M593 HydrophobicContact CB-SD 3.94Å; L290-M593 HydrophobicContact CD1-CB 4.1Å; L290-M593 HydrophobicContact CD1-CG 4.05Å; L290-M593 HydrophobicContact CD1-SD 4.05Å; A589-M593 WeakPolarHBondContact O-CB 3.36Å; A589-M593 PolarHBondContact O-N 3.43Å; L591-M593 VanDerWaalsContact C-N 3.28Å; L591-M593 PolarHBondContact O-N 3.48Å; M593-V597 HydrophobicContact CE-CG2 3.83Å; M593-V597 WeakPolarHBondContact O-CB 3.36Å; M593-V597 VanDerWaalsContact O-CG2 3.24Å; M593-V597 WeakPolarHBondContact O-CG2 3.24Å; M593-V597 PolarHBondContact O-N 2.87Å; M593-V597 HydrophobicContact SD-CG2 4.41Å
594	S	90.8	Very high	87.4	Confident	51 Å²	51	55.5 Å²	55.5	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-75.3	-36.5	179.4	61.7	0	0	0	0	112.8	V590 L591 L598	V590-S594 WeakPolarHBondContact O-CB 3.27Å; V590-S594 PolarHBondContact O-N 2.88Å; V590-S594 PolarHBondContact O-OG 3.17Å; L591-S594 PolarHBondContact O-N 3.38Å; L591-S594 PolarHBondContact O-OG 2.9Å; S594-L598 WeakPolarHBondContact O-CB 3.48Å; S594-L598 WeakPolarHBondContact O-CD1 3.25Å; S594-L598 WeakPolarHBondContact O-CG 3.26Å; S594-L598 PolarHBondContact O-N 3.26Å
595	T	88.8	Confident	88.1	Confident	16 Å²	16	47.3 Å²	47.3	10%	0.098	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-51.3	169.6	52.7	0	0	0	0	110.3	F497 L500 L591 T592 V597 L598 Q599	F497-T595 HydrophobicContact CD1-CG2 3.88Å; F497-T595 HydrophobicContact CE1-CG2 3.78Å; L500-T595 HydrophobicContact CD2-CG2 3.82Å; L591-T595 HydrophobicContact CD1-CG2 4.16Å; L591-T595 HydrophobicContact CG-CG2 4.45Å; L591-T595 PolarHBondContact O-N 3.36Å; L591-T595 PolarHBondContact O-OG1 3.14Å; L591-T595 VanDerWaalsContact O-OG1 3.13Å; T592-T595 WeakPolarHBondContact CA-OG1 3.45Å; T592-T595 PolarHBondContact O-OG1 3.44Å; T595-V597 PolarHBondContact O-N 3.13Å; T595-L598 PolarHBondContact O-N 2.75Å; T595-Q599 WeakPolarHBondContact O-CB 3.2Å; T595-Q599 PolarHBondContact O-N 2.95Å
596	A	92.1	Very high	88.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-44.1	178.9	0	0	0	0	0	113.4	A282 I283 A286 T592 G600	A282-A596 HydrophobicContact CB-CB 3.96Å; A282-A596 WeakPolarHBondContact O-CB 3.38Å; I283-A596 HydrophobicContact CG1-CB 3.79Å; A286-A596 HydrophobicContact CB-CB 4.18Å; T592-A596 WeakPolarHBondContact O-CB 3.41Å; T592-A596 PolarHBondContact O-N 3.46Å; A596-G600 PolarHBondContact O-N 3.22Å
597	V	94	Very high	89.4	Confident	42 Å²	42	33 Å²	33	26%	0.255	19%	0.189	S	C	.	.	H	α-helix	trans	-65.4	-47.8	176.2	166.4	0	0	0	0	111.8	L302 M593 T595 Q599 G600 L601	L302-V597 HydrophobicContact CD1-CG2 4.1Å; L302-V597 HydrophobicContact CD2-CG1 4.2Å; L302-V597 HydrophobicContact CD2-CG2 4.36Å; M593-V597 HydrophobicContact CE-CG2 3.83Å; M593-V597 WeakPolarHBondContact O-CB 3.36Å; M593-V597 VanDerWaalsContact O-CG2 3.24Å; M593-V597 WeakPolarHBondContact O-CG2 3.24Å; M593-V597 PolarHBondContact O-N 2.87Å; M593-V597 HydrophobicContact SD-CG2 4.41Å; T595-V597 PolarHBondContact O-N 3.13Å; V597-Q599 VanDerWaalsContact C-N 3.33Å; V597-Q599 PolarHBondContact O-N 3.04Å; V597-G600 PolarHBondContact O-N 3.02Å; V597-L601 HydrophobicContact CG1-CD1 4.23Å; V597-L601 WeakPolarHBondContact O-CG 3.44Å; V597-L601 PolarHBondContact O-N 3.31Å
598	L	92.2	Very high	90.3	Very high	81 Å²	81	29.6 Å²	29.6	42%	0.424	17%	0.173	S	C	.	.	H	α-helix	trans	-69	-33	-178.1	-69.2	168.8	0	0	0	112.1	F497 S594 T595 L601 A602	F497-L598 HydrophobicContact CE2-CB 3.56Å; F497-L598 HydrophobicContact CZ-CB 3.6Å; F497-L598 HydrophobicContact CZ-CD1 3.87Å; F497-L598 HydrophobicContact CZ-CG 4.39Å; S594-L598 WeakPolarHBondContact O-CB 3.48Å; S594-L598 WeakPolarHBondContact O-CD1 3.25Å; S594-L598 WeakPolarHBondContact O-CG 3.26Å; S594-L598 PolarHBondContact O-N 3.26Å; T595-L598 PolarHBondContact O-N 2.75Å; L598-L601 PolarHBondContact O-N 3.47Å; L598-A602 WeakPolarHBondContact O-CB 3.4Å; L598-A602 PolarHBondContact O-N 3.16Å
599	Q	91.4	Very high	90.3	Very high	22 Å²	22	28 Å²	28	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-68.5	-42.2	174.6	-172.5	169.1	-20.8	0	0	111.6	D278 F497 T595 V597 L601 A602 C603	D278-Q599 VanDerWaalsContact C-NE2 3.33Å; D278-Q599 PolarHBondContact O-NE2 3.4Å; F497-Q599 HydrophobicContact CD2-CB 4.25Å; T595-Q599 WeakPolarHBondContact O-CB 3.2Å; T595-Q599 PolarHBondContact O-N 2.95Å; V597-Q599 VanDerWaalsContact C-N 3.33Å; V597-Q599 PolarHBondContact O-N 3.04Å; Q599-L601 PolarHBondContact O-N 3.15Å; Q599-A602 PolarHBondContact O-N 3.27Å; Q599-C603 VanDerWaalsContact O-CB 3.31Å; Q599-C603 WeakPolarHBondContact O-CB 3.29Å; Q599-C603 PolarHBondContact O-N 3.43Å
600	G	94	Very high	90.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-40.8	171.1	0	0	0	0	0	113.4	T303 A596 V597 C603 G604	T303-G600 WeakPolarHBondContact CA-O 3.13Å; A596-G600 PolarHBondContact O-N 3.22Å; V597-G600 PolarHBondContact O-N 3.02Å; G600-C603 WeakPolarHBondContact O-CB 3.46Å; G600-C603 PolarHBondContact O-N 3.14Å; G600-G604 PolarHBondContact O-N 3.09Å
601	L	94	Very high	90.4	Very high	42 Å²	42	25.8 Å²	25.8	22%	0.22	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-36	174.3	-66	173.9	0	0	0	112.7	V305 V597 L598 Q599 T605	V305-L601 HydrophobicContact CB-CD2 4.08Å; V305-L601 HydrophobicContact CG1-CD2 3.67Å; V597-L601 HydrophobicContact CG1-CD1 4.23Å; V597-L601 WeakPolarHBondContact O-CG 3.44Å; V597-L601 PolarHBondContact O-N 3.31Å; L598-L601 PolarHBondContact O-N 3.47Å; Q599-L601 PolarHBondContact O-N 3.15Å; L601-T605 PolarHBondContact O-N 3.31Å; L601-T605 PolarHBondContact O-OG1 3.4Å
602	A	90.7	Very high	90.4	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-44.4	174	0	0	0	0	0	111.8	V493 H494 L598 Q599 G604 T605 F606	V493-A602 HydrophobicContact CG1-CB 4.29Å; H494-A602 HydrophobicContact CB-CB 4.47Å; L598-A602 WeakPolarHBondContact O-CB 3.4Å; L598-A602 PolarHBondContact O-N 3.16Å; Q599-A602 PolarHBondContact O-N 3.27Å; A602-G604 VanDerWaalsContact C-N 3.32Å; A602-G604 PolarHBondContact O-N 2.87Å; A602-T605 PolarHBondContact O-N 2.86Å; A602-T605 VanDerWaalsContact O-N 3.16Å; A602-F606 WeakPolarHBondContact O-CB 3.41Å; A602-F606 PolarHBondContact O-N 2.74Å
603	C	92.3	Very high	90	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-53.7	-46.8	171.6	179.5	0	0	0	0	111.5	L275 T303 Q599 G600 T605 F606 F607	L275-C603 HydrophobicContact CD1-CB 3.94Å; L275-C603 HydrophobicContact CD2-CB 4.43Å; L275-C603 HydrophobicContact CG-CB 3.94Å; T303-C603 HydrophobicContact CG2-CB 4.49Å; Q599-C603 VanDerWaalsContact O-CB 3.31Å; Q599-C603 WeakPolarHBondContact O-CB 3.29Å; Q599-C603 PolarHBondContact O-N 3.43Å; G600-C603 WeakPolarHBondContact O-CB 3.46Å; G600-C603 PolarHBondContact O-N 3.14Å; C603-T605 PolarHBondContact O-N 2.85Å; C603-F606 WeakPolarHBondContact O-CB 3.49Å; C603-F606 PolarHBondContact O-N 3.37Å; C603-F607 VanDerWaalsContact O-CD2 3.32Å; C603-F607 WeakPolarHBondContact O-CD2 3.3Å; C603-F607 PolarHBondContact O-N 3.47Å; C603-F607 VanDerWaalsContact SG-CE2 3.51Å
604	G	93.4	Very high	89.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-44.9	174.3	0	0	0	0	0	114.2	T303 F307 G600 A602 F607 F608	T303-G604 WeakPolarHBondContact O-CA 3.48Å; F307-G604 WeakPolarHBondContact CA-O 3.49Å; G600-G604 PolarHBondContact O-N 3.09Å; A602-G604 VanDerWaalsContact C-N 3.32Å; A602-G604 PolarHBondContact O-N 2.87Å; G604-F607 PolarHBondContact O-N 3.22Å; G604-F608 PolarHBondContact O-N 2.93Å; G604-F608 VanDerWaalsContact O-N 3.11Å
605	T	90.3	Very high	89.1	Confident	18 Å²	18	23.1 Å²	23.1	11%	0.11	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-40.2	177.4	-56.2	0	0	0	0	111.8	V310 A490 L601 A602 C603 F608 V609	V310-T605 HydrophobicContact CG2-CG2 3.55Å; V310-T605 WeakPolarHBondContact CG2-OG1 3.46Å; A490-T605 HydrophobicContact CB-CG2 3.35Å; L601-T605 PolarHBondContact O-N 3.31Å; L601-T605 PolarHBondContact O-OG1 3.4Å; A602-T605 PolarHBondContact O-N 2.86Å; A602-T605 VanDerWaalsContact O-N 3.16Å; C603-T605 PolarHBondContact O-N 2.85Å; T605-F608 PolarHBondContact O-N 3.24Å; T605-V609 WeakPolarHBondContact O-CG2 3.31Å; T605-V609 PolarHBondContact O-N 3.21Å
606	F	88.1	Confident	88.9	Confident	10 Å²	10	24.1 Å²	24.1	4%	0.044	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-49.2	176.5	-178.3	-89.5	0	0	0	111.4	F267 G271 L275 M491 I525 A602 C603 F608 V609 V610	F267-F606 HydrophobicContact CB-CZ 3.97Å; F267-F606 AromaticContact CD1-CE2 3.94Å; F267-F606 HydrophobicContact CD1-CE2 3.94Å; F267-F606 AromaticContact CD1-CZ 3.94Å; F267-F606 HydrophobicContact CD1-CZ 3.94Å; F267-F606 HydrophobicContact CG-CZ 4.44Å; F267-F606 WeakPolarHBondContact O-CE1 3.48Å; F267-F606 VanDerWaalsContact O-CZ 3.22Å; F267-F606 WeakPolarHBondContact O-CZ 3.38Å; G271-F606 VanDerWaalsContact CA-CE1 3.43Å; L275-F606 HydrophobicContact CD2-CB 3.57Å; L275-F606 HydrophobicContact CD2-CD1 3.77Å; L275-F606 HydrophobicContact CD2-CD2 4.03Å; L275-F606 HydrophobicContact CD2-CE1 4.46Å; L275-F606 HydrophobicContact CD2-CG 3.51Å; M491-F606 HydrophobicContact CE-CD2 4.46Å; M491-F606 HydrophobicContact CE-CE2 4.4Å; M491-F606 HydrophobicContact SD-CD2 3.53Å; M491-F606 VanDerWaalsContact SD-CD2 3.53Å; M491-F606 HydrophobicContact SD-CE2 3.79Å; I525-F606 HydrophobicContact CD1-CE2 4.43Å; A602-F606 WeakPolarHBondContact O-CB 3.41Å; A602-F606 PolarHBondContact O-N 2.74Å; C603-F606 WeakPolarHBondContact O-CB 3.49Å; C603-F606 PolarHBondContact O-N 3.37Å; F606-F608 VanDerWaalsContact C-N 3.31Å; F606-F608 PolarHBondContact O-N 3.09Å; F606-V609 PolarHBondContact O-N 3.14Å; F606-V609 VanDerWaalsContact O-N 3.13Å; F606-V610 HydrophobicContact CD1-CG2 4.06Å; F606-V610 HydrophobicContact CE1-CG2 3.63Å; F606-V610 HydrophobicContact CZ-CG2 3.93Å; F606-V610 WeakPolarHBondContact O-CG2 3.46Å; F606-V610 PolarHBondContact O-N 3.01Å
607	F	91.9	Very high	88.1	Confident	13 Å²	13	26.6 Å²	26.6	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-36.7	176.5	-76.7	-52.6	0	0	0	112.9	G271 F272 Y276 T303 F307 C603 G604 V610 F611	G271-F607 VanDerWaalsContact C-CZ 3.47Å; G271-F607 WeakPolarHBondContact O-CZ 3.32Å; F272-F607 HydrophobicContact CD1-CE1 4.02Å; F272-F607 AromaticContact CD1-CZ 3.74Å; F272-F607 HydrophobicContact CD1-CZ 3.74Å; F272-F607 AromaticContact CD2-CE1 3.66Å; F272-F607 HydrophobicContact CD2-CE1 3.66Å; F272-F607 HydrophobicContact CD2-CZ 4.21Å; F272-F607 AromaticContact CE1-CE1 3.87Å; F272-F607 HydrophobicContact CE1-CE1 3.87Å; F272-F607 AromaticContact CE1-CZ 3.72Å; F272-F607 HydrophobicContact CE1-CZ 3.72Å; F272-F607 HydrophobicContact CE2-CD1 4.17Å; F272-F607 AromaticContact CE2-CE1 3.48Å; F272-F607 HydrophobicContact CE2-CE1 3.48Å; F272-F607 VanDerWaalsContact CE2-CE1 3.48Å; F272-F607 HydrophobicContact CE2-CZ 4.18Å; F272-F607 AromaticContact CG-CE1 3.92Å; F272-F607 HydrophobicContact CG-CE1 3.92Å; F272-F607 AromaticContact CG-CZ 3.99Å; F272-F607 HydrophobicContact CG-CZ 3.99Å; F272-F607 HydrophobicContact CZ-CD1 4.24Å; F272-F607 AromaticContact CZ-CE1 3.59Å; F272-F607 HydrophobicContact CZ-CE1 3.59Å; F272-F607 AromaticContact CZ-CZ 3.94Å; F272-F607 HydrophobicContact CZ-CZ 3.94Å; Y276-F607 HydrophobicContact CD2-CE2 4.25Å; T303-F607 HydrophobicContact CG2-CD2 3.6Å; T303-F607 HydrophobicContact CG2-CE2 3.92Å; F307-F607 HydrophobicContact CD2-CB 4.25Å; C603-F607 VanDerWaalsContact O-CD2 3.32Å; C603-F607 WeakPolarHBondContact O-CD2 3.3Å; C603-F607 PolarHBondContact O-N 3.47Å; C603-F607 VanDerWaalsContact SG-CE2 3.51Å; G604-F607 PolarHBondContact O-N 3.22Å; F607-V610 PolarHBondContact O-N 3.3Å; F607-F611 HydrophobicContact CB-CD2 4.25Å; F607-F611 HydrophobicContact CD1-CD2 4.24Å; F607-F611 AromaticContact CD1-CE2 3.86Å; F607-F611 HydrophobicContact CD1-CE2 3.86Å; F607-F611 WeakPolarHBondContact O-CB 3.32Å; F607-F611 WeakPolarHBondContact O-CD2 3.41Å; F607-F611 PolarHBondContact O-N 3.42Å
608	F	90.9	Very high	87.3	Confident	8 Å²	8	25.2 Å²	25.2	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-49.3	172.1	175.2	-89.2	0	0	0	111.2	F307 V310 L311 G604 T605 F606 V610 F611 C612 E613	F307-F608 HydrophobicContact CD2-CB 3.74Å; F307-F608 HydrophobicContact CE2-CB 3.98Å; F307-F608 HydrophobicContact CE2-CD2 4.34Å; F307-F608 HydrophobicContact CG-CB 4.42Å; F307-F608 HydrophobicContact CZ-CD2 4.45Å; V310-F608 HydrophobicContact CB-CB 4.37Å; V310-F608 HydrophobicContact CB-CD1 4.17Å; V310-F608 HydrophobicContact CB-CG 4.12Å; V310-F608 HydrophobicContact CG1-CB 4.29Å; V310-F608 HydrophobicContact CG1-CD1 3.24Å; V310-F608 HydrophobicContact CG1-CD2 4.39Å; V310-F608 HydrophobicContact CG1-CE1 3.6Å; V310-F608 HydrophobicContact CG1-CG 3.69Å; V310-F608 HydrophobicContact CG1-CZ 4.31Å; L311-F608 HydrophobicContact CD2-CD2 4.23Å; L311-F608 HydrophobicContact CD2-CE2 3.59Å; L311-F608 HydrophobicContact CG-CD2 3.8Å; L311-F608 HydrophobicContact CG-CE2 3.64Å; G604-F608 PolarHBondContact O-N 2.93Å; G604-F608 VanDerWaalsContact O-N 3.11Å; T605-F608 PolarHBondContact O-N 3.24Å; F606-F608 VanDerWaalsContact C-N 3.31Å; F606-F608 PolarHBondContact O-N 3.09Å; F608-V610 VanDerWaalsContact C-N 3.32Å; F608-V610 PolarHBondContact O-N 3.29Å; F608-F611 PolarHBondContact O-N 3.29Å; F608-C612 HydrophobicContact CD2-CB 3.74Å; F608-C612 VanDerWaalsContact CD2-SG 3.57Å; F608-C612 HydrophobicContact CE1-CB 4.25Å; F608-C612 HydrophobicContact CE2-CB 3.4Å; F608-C612 VanDerWaalsContact CE2-CB 3.4Å; F608-C612 VanDerWaalsContact CE2-SG 3.59Å; F608-C612 HydrophobicContact CG-CB 4.29Å; F608-C612 HydrophobicContact CZ-CB 3.7Å; F608-C612 VanDerWaalsContact O-CB 3.27Å; F608-C612 WeakPolarHBondContact O-CB 3.42Å; F608-C612 PolarHBondContact O-N 3.37Å; F608-E613 HydrophobicContact CD1-CG 4.48Å; F608-E613 HydrophobicContact CE1-CG 3.75Å; F608-E613 HydrophobicContact CZ-CG 4.3Å
609	V	83.7	Confident	86.8	Confident	18 Å²	18	25 Å²	25	11%	0.109	13%	0.131	C	C	.	.	I	π-helix	trans	-60.7	-40.7	-180	169.7	0	0	0	0	111.6	L487 T605 F606 E613 L614	L487-V609 HydrophobicContact CB-CG1 4.14Å; L487-V609 HydrophobicContact CB-CG2 4.21Å; L487-V609 HydrophobicContact CD1-CG1 3.68Å; L487-V609 HydrophobicContact CG-CG1 3.87Å; T605-V609 WeakPolarHBondContact O-CG2 3.31Å; T605-V609 PolarHBondContact O-N 3.21Å; F606-V609 PolarHBondContact O-N 3.14Å; F606-V609 VanDerWaalsContact O-N 3.13Å; V609-E613 WeakPolarHBondContact O-CB 3.41Å; V609-E613 PolarHBondContact O-N 2.85Å; V609-L614 WeakPolarHBondContact O-CB 3.15Å; V609-L614 PolarHBondContact O-N 3.31Å
610	V	85.7	Confident	85.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.16	C	C	.	.	I	π-helix	trans	-68.6	-53.1	177.5	176	0	0	0	0	111.6	F267 L268 F606 F607 F608 L615	F267-V610 HydrophobicContact CB-CG2 3.82Å; L268-V610 HydrophobicContact CB-CG1 4.09Å; L268-V610 HydrophobicContact CD1-CG1 3.95Å; F606-V610 HydrophobicContact CD1-CG2 4.06Å; F606-V610 HydrophobicContact CE1-CG2 3.63Å; F606-V610 HydrophobicContact CZ-CG2 3.93Å; F606-V610 WeakPolarHBondContact O-CG2 3.46Å; F606-V610 PolarHBondContact O-N 3.01Å; F607-V610 PolarHBondContact O-N 3.3Å; F608-V610 VanDerWaalsContact C-N 3.32Å; F608-V610 PolarHBondContact O-N 3.29Å; V610-L615 HydrophobicContact CG1-CD1 3.98Å; V610-L615 HydrophobicContact CG1-CG 4.31Å; V610-L615 WeakPolarHBondContact O-CB 3.48Å; V610-L615 VanDerWaalsContact O-CG 3.3Å; V610-L615 WeakPolarHBondContact O-CG 3.27Å; V610-L615 PolarHBondContact O-N 3.47Å
611	F	90.5	Very high	84.1	Confident	90 Å²	90	35.2 Å²	35.2	40%	0.395	18%	0.176	S	C	.	.	I	π-helix	trans	-80.4	-36.9	-170.7	-78	-65.6	0	0	0	115	L268 F272 F607 F608 L615 P616	L268-F611 HydrophobicContact CD1-CE1 3.84Å; L268-F611 HydrophobicContact CD1-CE2 4.2Å; L268-F611 HydrophobicContact CD1-CZ 3.6Å; F272-F611 AromaticContact CE2-CE2 3.83Å; F272-F611 HydrophobicContact CE2-CE2 3.83Å; F272-F611 AromaticContact CE2-CZ 3.67Å; F272-F611 HydrophobicContact CE2-CZ 3.67Å; F272-F611 AromaticContact CZ-CE2 3.9Å; F272-F611 HydrophobicContact CZ-CE2 3.9Å; F272-F611 AromaticContact CZ-CZ 3.93Å; F272-F611 HydrophobicContact CZ-CZ 3.93Å; F607-F611 HydrophobicContact CB-CD2 4.25Å; F607-F611 HydrophobicContact CD1-CD2 4.24Å; F607-F611 AromaticContact CD1-CE2 3.86Å; F607-F611 HydrophobicContact CD1-CE2 3.86Å; F607-F611 WeakPolarHBondContact O-CB 3.32Å; F607-F611 WeakPolarHBondContact O-CD2 3.41Å; F607-F611 PolarHBondContact O-N 3.42Å; F608-F611 PolarHBondContact O-N 3.29Å; F611-L615 HydrophobicContact CD1-CD1 4.04Å; F611-L615 HydrophobicContact CE1-CD1 4.45Å; F611-P616 WeakPolarHBondContact O-CD 3.38Å; F611-P616 WeakPolarHBondContact O-CG 2.91Å
612	C	86.5	Confident	82.4	Confident	47 Å²	47	37.2 Å²	37.2	32%	0.318	21%	0.207	S	C	.	.	I	π-helix	trans	-96.2	-30.1	-173.6	-61.9	0	0	0	0	112.7	F608 P616	F608-C612 HydrophobicContact CD2-CB 3.74Å; F608-C612 VanDerWaalsContact CD2-SG 3.57Å; F608-C612 HydrophobicContact CE1-CB 4.25Å; F608-C612 HydrophobicContact CE2-CB 3.4Å; F608-C612 VanDerWaalsContact CE2-CB 3.4Å; F608-C612 VanDerWaalsContact CE2-SG 3.59Å; F608-C612 HydrophobicContact CG-CB 4.29Å; F608-C612 HydrophobicContact CZ-CB 3.7Å; F608-C612 VanDerWaalsContact O-CB 3.27Å; F608-C612 WeakPolarHBondContact O-CB 3.42Å; F608-C612 PolarHBondContact O-N 3.37Å; C612-P616 VanDerWaalsContact O-CG 3.31Å; C612-P616 WeakPolarHBondContact O-CG 3.34Å
613	E	78.3	Confident	80.9	Confident	30 Å²	30	39.7 Å²	39.7	14%	0.14	22%	0.222	C	C	.	.	I	π-helix	trans	-109.4	-56.8	-174.1	-63.9	-66.2	-172.9	0	0	113.6	R483 F608 V609 V617	R483-E613 WeakPolarHBondContact CD-OE1 3.42Å; R483-E613 WeakPolarHBondContact CD-OE2 3.38Å; R483-E613 HydrophobicContact CG-CG 4.23Å; R483-E613 WeakPolarHBondContact CG-OE1 3.42Å; R483-E613 IonicContact CZ-OE2 3.31Å; R483-E613 IonicContact NE-OE2 3.29Å; R483-E613 IonicContact NH1-OE2 3.42Å; R483-E613 PolarHBondContact NH1-OE2 3.31Å; F608-E613 HydrophobicContact CD1-CG 4.48Å; F608-E613 HydrophobicContact CE1-CG 3.75Å; F608-E613 HydrophobicContact CZ-CG 4.3Å; V609-E613 WeakPolarHBondContact O-CB 3.41Å; V609-E613 PolarHBondContact O-N 2.85Å; E613-V617 WeakPolarHBondContact O-CB 3.4Å; E613-V617 WeakPolarHBondContact O-CG2 3.34Å; E613-V617 PolarHBondContact O-N 3.16Å
614	L	77.8	Confident	79.5	Confident	20 Å²	20	49.9 Å²	49.9	11%	0.105	27%	0.266	C	S	.	.	I	π-helix	trans	-71.8	-55.6	-172	-173.6	63.3	0	0	0	112.1	A264 F267 N532 V609 V617 E618	A264-L614 HydrophobicContact CB-CD2 3.67Å; A264-L614 HydrophobicContact CB-CG 3.85Å; F267-L614 HydrophobicContact CB-CD2 4.49Å; F267-L614 HydrophobicContact CD2-CD2 3.42Å; F267-L614 VanDerWaalsContact CD2-CD2 3.42Å; F267-L614 HydrophobicContact CE2-CD2 3.94Å; F267-L614 HydrophobicContact CG-CD2 4.26Å; N532-L614 WeakPolarHBondContact ND2-CD1 2.95Å; V609-L614 WeakPolarHBondContact O-CB 3.15Å; V609-L614 PolarHBondContact O-N 3.31Å; L614-V617 PolarHBondContact O-N 3.44Å; L614-E618 PolarHBondContact O-N 3.31Å
615	L	84.9	Confident	78.7	Confident	22 Å²	22	51.9 Å²	51.9	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-46	-179.8	-70.8	172.1	0	0	0	112.5	A264 V610 F611 V617 E618 F619 L633	A264-L615 HydrophobicContact CB-CD2 3.83Å; V610-L615 HydrophobicContact CG1-CD1 3.98Å; V610-L615 HydrophobicContact CG1-CG 4.31Å; V610-L615 WeakPolarHBondContact O-CB 3.48Å; V610-L615 VanDerWaalsContact O-CG 3.3Å; V610-L615 WeakPolarHBondContact O-CG 3.27Å; V610-L615 PolarHBondContact O-N 3.47Å; F611-L615 HydrophobicContact CD1-CD1 4.04Å; F611-L615 HydrophobicContact CE1-CD1 4.45Å; L615-V617 PolarHBondContact O-N 3.42Å; L615-E618 PolarHBondContact O-N 3.24Å; L615-F619 HydrophobicContact CD2-CE2 4.36Å; L615-F619 VanDerWaalsContact O-CD2 3.26Å; L615-F619 WeakPolarHBondContact O-CD2 3.34Å; L615-F619 PolarHBondContact O-N 3.09Å; L615-L633 HydrophobicContact CD2-CD1 3.46Å; L615-L633 VanDerWaalsContact CD2-CD1 3.46Å; L615-L633 HydrophobicContact CD2-CG 4.34Å
616	P	84.1	Confident	78.3	Confident	36 Å²	36	59.2 Å²	59.2	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-70.6	-29.3	-177.7	-24.8	39.9	0	0	0	113.4	F611 C612 K620	F611-P616 WeakPolarHBondContact O-CD 3.38Å; F611-P616 WeakPolarHBondContact O-CG 2.91Å; C612-P616 VanDerWaalsContact O-CG 3.31Å; C612-P616 WeakPolarHBondContact O-CG 3.34Å; P616-K620 VanDerWaalsContact O-CB 3.22Å; P616-K620 WeakPolarHBondContact O-CB 3.47Å; P616-K620 WeakPolarHBondContact O-CD 3.29Å; P616-K620 WeakPolarHBondContact O-CG 3.21Å; P616-K620 PolarHBondContact O-N 3.45Å; P616-K620 VanDerWaalsContact O-N 3.09Å
617	V	75.7	Confident	78.2	Confident	53 Å²	53	65.6 Å²	65.6	32%	0.321	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-50.4	175.3	166	0	0	0	0	110.7	E613 L614 L615 F619 K620	E613-V617 WeakPolarHBondContact O-CB 3.4Å; E613-V617 WeakPolarHBondContact O-CG2 3.34Å; E613-V617 PolarHBondContact O-N 3.16Å; L614-V617 PolarHBondContact O-N 3.44Å; L615-V617 PolarHBondContact O-N 3.42Å; V617-F619 VanDerWaalsContact C-N 3.29Å; V617-F619 PolarHBondContact O-N 2.91Å; V617-K620 PolarHBondContact O-N 2.93Å; V617-K620 VanDerWaalsContact O-N 3.09Å
618	E	76.9	Confident	78	Confident	13 Å²	13	65.6 Å²	65.6	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-32.7	-179	-74.7	-59.2	142.2	0	0	113	S257 N260 L614 L615 K629	S257-E618 PolarHBondContact OG-OE2 2.99Å; N260-E618 HydrophobicContact CB-CG 3.95Å; N260-E618 WeakPolarHBondContact CB-OE1 3.27Å; N260-E618 PolarHBondContact ND2-OE1 3.29Å; L614-E618 PolarHBondContact O-N 3.31Å; L615-E618 PolarHBondContact O-N 3.24Å; E618-K629 WeakPolarHBondContact O-CD 3.49Å; E618-K629 PolarHBondContact O-NZ 3.03Å; E618-K629 IonicContact OE2-NZ 3.37Å
619	F	81.5	Confident	77.9	Confident	78 Å²	78	65.6 Å²	65.6	34%	0.342	34%	0.337	S	S	.	.	H	α-helix	trans	-84.9	-9.2	175.4	-70.1	-62.9	0	0	0	115.1	L615 V617 K629 F630 L633	L615-F619 HydrophobicContact CD2-CE2 4.36Å; L615-F619 VanDerWaalsContact O-CD2 3.26Å; L615-F619 WeakPolarHBondContact O-CD2 3.34Å; L615-F619 PolarHBondContact O-N 3.09Å; V617-F619 VanDerWaalsContact C-N 3.29Å; V617-F619 PolarHBondContact O-N 2.91Å; F619-K629 HydrophobicContact CE1-CB 4.25Å; F619-F630 HydrophobicContact CE1-CB 4.44Å; F619-F630 HydrophobicContact CZ-CD2 4.36Å; F619-L633 HydrophobicContact CE2-CD1 3.71Å; F619-L633 HydrophobicContact CZ-CD1 3.77Å
620	K	69.6	Low	78.3	Confident	164 Å²	164	69.2 Å²	69.2	71%	0.713	35%	0.352	S	S	*	.	H	α-helix	trans	-82.7	-12.1	179.7	-87.6	167.1	-171.8	170.8	0	114.9	P616 V617	P616-K620 VanDerWaalsContact O-CB 3.22Å; P616-K620 WeakPolarHBondContact O-CB 3.47Å; P616-K620 WeakPolarHBondContact O-CD 3.29Å; P616-K620 WeakPolarHBondContact O-CG 3.21Å; P616-K620 PolarHBondContact O-N 3.45Å; P616-K620 VanDerWaalsContact O-N 3.09Å; V617-K620 PolarHBondContact O-N 2.93Å; V617-K620 VanDerWaalsContact O-N 3.09Å
621	E	59.8	Low	78.6	Confident	71 Å²	71	75.3 Å²	75.3	33%	0.332	38%	0.378	S	S	.	.	S	Bend	trans	-88.4	140.5	-175.4	-65.3	-167.9	147.7	0	0	114.5	Q539 V623	Q539-E621 PolarHBondContact NE2-OE1 3.48Å; E621-V623 PolarHBondContact O-N 3.33Å
622	G	57	Low	78.6	Confident	84 Å²	84	72.9 Å²	72.9	87%	0.866	37%	0.368	S	S	*	.			trans	-74.6	25.2	-172.2	0	0	0	0	0	117.2
623	V	59.2	Low	78.9	Confident	58 Å²	58	71.3 Å²	71.3	35%	0.352	36%	0.356	S	S	.	.			trans	-81.1	133.8	178.4	-172.5	0	0	0	0	109.6	V254 E621 D625	V254-V623 HydrophobicContact CG2-CG1 3.98Å; E621-V623 PolarHBondContact O-N 3.33Å; V623-D625 PolarHBondContact O-N 3.12Å
624	K	63.3	Low	79.7	Confident	214 Å²	214	73.8 Å²	73.8	93%	0.93	37%	0.37	S	S	*	.	S	Bend	trans	-62.6	-16.6	-172.2	-73.2	-175.1	175.5	-179.9	0	115.3	R626	K624-R626 VanDerWaalsContact C-N 3.34Å; K624-R626 PolarHBondContact O-N 2.82Å; K624-R626 VanDerWaalsContact O-N 3.12Å
625	D	76.6	Confident	80.5	Confident	41 Å²	41	76.2 Å²	76.2	22%	0.219	38%	0.382	C	S	.	.			trans	-88	55.4	-174.1	-170.9	24.6	0	0	0	114.2	R258 V623 M627 G628 K629	R258-D625 IonicContact CZ-OD2 3.95Å; R258-D625 IonicContact NE-OD2 3.98Å; R258-D625 PolarHBondContact NE-OD2 3.13Å; R258-D625 IonicContact NH2-OD2 3.98Å; R258-D625 PolarHBondContact NH2-OD2 3.24Å; V623-D625 PolarHBondContact O-N 3.12Å; D625-M627 VanDerWaalsContact C-N 3.29Å; D625-M627 PolarHBondContact O-N 2.76Å; D625-G628 PolarHBondContact O-N 2.86Å; D625-G628 VanDerWaalsContact OD1-CA 3.26Å; D625-G628 WeakPolarHBondContact OD1-CA 3.42Å; D625-G628 PolarHBondContact OD1-N 3.1Å; D625-K629 WeakPolarHBondContact O-CG 3.38Å; D625-K629 PolarHBondContact O-N 3Å
626	R	82.3	Confident	80.7	Confident	172 Å²	172	75.1 Å²	75.1	65%	0.649	38%	0.377	S	S	*	.	H	α-helix	trans	-62.5	-35.9	177.2	-72.5	-177.3	170.5	-178.2	-4.6	112.8	K624 F630	K624-R626 VanDerWaalsContact C-N 3.34Å; K624-R626 PolarHBondContact O-N 2.82Å; K624-R626 VanDerWaalsContact O-N 3.12Å; R626-F630 PolarHBondContact O-N 3.33Å; R626-F630 VanDerWaalsContact O-N 3.13Å
627	M	86.6	Confident	81.1	Confident	145 Å²	145	76.8 Å²	76.8	71%	0.714	38%	0.38	S	S	*	.	H	α-helix	trans	-72.5	-39.5	-179.7	-63.9	-54.8	-63.7	0	0	112.3	D625 F630 F631	D625-M627 VanDerWaalsContact C-N 3.29Å; D625-M627 PolarHBondContact O-N 2.76Å; M627-F630 PolarHBondContact O-N 2.84Å; M627-F631 WeakPolarHBondContact O-CB 3.48Å; M627-F631 PolarHBondContact O-N 2.95Å
628	G	87.3	Confident	82	Confident	12 Å²	12	76.6 Å²	76.6	12%	0.124	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-42.1	173.9	0	0	0	0	0	112.4	D625 F630 F631 F632	D625-G628 PolarHBondContact O-N 2.86Å; D625-G628 VanDerWaalsContact OD1-CA 3.26Å; D625-G628 WeakPolarHBondContact OD1-CA 3.42Å; D625-G628 PolarHBondContact OD1-N 3.1Å; G628-F630 PolarHBondContact O-N 3.01Å; G628-F631 PolarHBondContact O-N 3.38Å; G628-F632 VanDerWaalsContact O-CD2 3.31Å; G628-F632 WeakPolarHBondContact O-CD2 3.49Å; G628-F632 PolarHBondContact O-N 3.01Å
629	K	88.3	Confident	82.5	Confident	9 Å²	9	79.2 Å²	79.2	4%	0.039	40%	0.401	C	S	.	.	H	α-helix	trans	-54.6	-52.2	171	-73.6	-163.9	-169.8	-145.9	0	111.6	S257 C261 E618 F619 D625 F632 L633	S257-K629 WeakPolarHBondContact OG-CE 3.13Å; S257-K629 PolarHBondContact OG-NZ 2.67Å; C261-K629 HydrophobicContact CB-CB 4.37Å; C261-K629 VanDerWaalsContact CB-O 3.25Å; C261-K629 WeakPolarHBondContact CB-O 3.34Å; C261-K629 VanDerWaalsContact SG-CB 3.52Å; E618-K629 WeakPolarHBondContact O-CD 3.49Å; E618-K629 PolarHBondContact O-NZ 3.03Å; E618-K629 IonicContact OE2-NZ 3.37Å; F619-K629 HydrophobicContact CE1-CB 4.25Å; D625-K629 WeakPolarHBondContact O-CG 3.38Å; D625-K629 PolarHBondContact O-N 3Å; K629-F632 PolarHBondContact O-N 3.03Å; K629-L633 PolarHBondContact O-N 2.78Å
630	F	91.9	Very high	82.7	Confident	94 Å²	94	75.9 Å²	75.9	41%	0.412	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-39.4	-179	-177.9	-110.9	0	0	0	113.5	F619 R626 M627 G628 L633 L634	F619-F630 HydrophobicContact CE1-CB 4.44Å; F619-F630 HydrophobicContact CZ-CD2 4.36Å; R626-F630 PolarHBondContact O-N 3.33Å; R626-F630 VanDerWaalsContact O-N 3.13Å; M627-F630 PolarHBondContact O-N 2.84Å; G628-F630 PolarHBondContact O-N 3.01Å; F630-L633 WeakPolarHBondContact O-CB 3.46Å; F630-L633 PolarHBondContact O-N 2.78Å; F630-L634 HydrophobicContact CD1-CD1 4.08Å; F630-L634 HydrophobicContact CE1-CD1 3.46Å; F630-L634 VanDerWaalsContact CE1-CD1 3.46Å; F630-L634 HydrophobicContact CE1-CG 4.09Å; F630-L634 HydrophobicContact CE2-CD1 4.5Å; F630-L634 HydrophobicContact CE2-CD2 4.47Å; F630-L634 HydrophobicContact CE2-CG 4.29Å; F630-L634 HydrophobicContact CZ-CD1 3.71Å; F630-L634 HydrophobicContact CZ-CD2 4.17Å; F630-L634 HydrophobicContact CZ-CG 3.95Å; F630-L634 PolarHBondContact O-N 3.11Å
631	F	93	Very high	83.6	Confident	128 Å²	128	69.3 Å²	69.3	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-62.4	-42.9	174.7	178.1	-95	0	0	0	111.9	M627 G628 L633 L634 L635	M627-F631 WeakPolarHBondContact O-CB 3.48Å; M627-F631 PolarHBondContact O-N 2.95Å; G628-F631 PolarHBondContact O-N 3.38Å; F631-L633 VanDerWaalsContact C-N 3.33Å; F631-L633 PolarHBondContact O-N 3.01Å; F631-L634 PolarHBondContact O-N 2.85Å; F631-L635 HydrophobicContact CE1-CD2 4.32Å; F631-L635 WeakPolarHBondContact O-CB 3.42Å; F631-L635 PolarHBondContact O-N 2.96Å
632	F	91.1	Very high	85	Confident	40 Å²	40	70.5 Å²	70.5	18%	0.175	37%	0.372	C	S	.	.	H	α-helix	trans	-65.6	-35.8	176.9	-89.4	-110.9	0	0	0	112.2	R258 C261 F262 G628 K629 L635 G636	R258-F632 HydrophobicContact CB-CB 4.42Å; R258-F632 HydrophobicContact CB-CD1 3.79Å; R258-F632 HydrophobicContact CB-CD2 4.15Å; R258-F632 HydrophobicContact CB-CE1 4.05Å; R258-F632 HydrophobicContact CB-CE2 4.39Å; R258-F632 HydrophobicContact CB-CG 3.85Å; R258-F632 HydrophobicContact CB-CZ 4.35Å; R258-F632 HydrophobicContact CG-CD2 4.1Å; R258-F632 HydrophobicContact CG-CE2 4.32Å; R258-F632 HydrophobicContact CG-CG 4.26Å; R258-F632 WeakPolarHBondContact O-CB 2.98Å; R258-F632 WeakPolarHBondContact O-CD1 3.43Å; C261-F632 HydrophobicContact CB-CB 4.41Å; F262-F632 VanDerWaalsContact CA-O 3.3Å; F262-F632 WeakPolarHBondContact CA-O 3.35Å; F262-F632 HydrophobicContact CB-CB 4.23Å; F262-F632 HydrophobicContact CB-CD1 4.13Å; G628-F632 VanDerWaalsContact O-CD2 3.31Å; G628-F632 WeakPolarHBondContact O-CD2 3.49Å; G628-F632 PolarHBondContact O-N 3.01Å; K629-F632 PolarHBondContact O-N 3.03Å; F632-L635 PolarHBondContact O-N 3.43Å; F632-G636 PolarHBondContact O-N 3.46Å
633	L	92.4	Very high	86.3	Confident	13 Å²	13	69.1 Å²	69.1	7%	0.068	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-52.2	171.2	-176.4	171.5	0	0	0	111.5	C261 G265 L615 F619 K629 F630 F631 L635 G636 F637	C261-L633 HydrophobicContact CB-CB 4.43Å; C261-L633 VanDerWaalsContact O-CA 3.28Å; C261-L633 WeakPolarHBondContact O-CA 2.82Å; G265-L633 WeakPolarHBondContact CA-O 3.1Å; L615-L633 HydrophobicContact CD2-CD1 3.46Å; L615-L633 VanDerWaalsContact CD2-CD1 3.46Å; L615-L633 HydrophobicContact CD2-CG 4.34Å; F619-L633 HydrophobicContact CE2-CD1 3.71Å; F619-L633 HydrophobicContact CZ-CD1 3.77Å; K629-L633 PolarHBondContact O-N 2.78Å; F630-L633 WeakPolarHBondContact O-CB 3.46Å; F630-L633 PolarHBondContact O-N 2.78Å; F631-L633 VanDerWaalsContact C-N 3.33Å; F631-L633 PolarHBondContact O-N 3.01Å; L633-L635 VanDerWaalsContact C-N 3.26Å; L633-L635 PolarHBondContact O-N 3.41Å; L633-G636 PolarHBondContact O-N 3.35Å; L633-G636 VanDerWaalsContact O-N 3.15Å; L633-F637 PolarHBondContact O-N 3.06Å
634	L	94.9	Very high	87.3	Confident	83 Å²	83	68.5 Å²	68.5	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-37.6	177.3	-72.3	-179.6	0	0	0	112.1	F630 F631 F637 A638	F630-L634 HydrophobicContact CD1-CD1 4.08Å; F630-L634 HydrophobicContact CE1-CD1 3.46Å; F630-L634 VanDerWaalsContact CE1-CD1 3.46Å; F630-L634 HydrophobicContact CE1-CG 4.09Å; F630-L634 HydrophobicContact CE2-CD1 4.5Å; F630-L634 HydrophobicContact CE2-CD2 4.47Å; F630-L634 HydrophobicContact CE2-CG 4.29Å; F630-L634 HydrophobicContact CZ-CD1 3.71Å; F630-L634 HydrophobicContact CZ-CD2 4.17Å; F630-L634 HydrophobicContact CZ-CG 3.95Å; F630-L634 PolarHBondContact O-N 3.11Å; F631-L634 PolarHBondContact O-N 2.85Å; L634-F637 PolarHBondContact O-N 3.33Å; L634-A638 WeakPolarHBondContact O-CB 2.21Å; L634-A638 PolarHBondContact O-N 3.31Å
635	L	93.9	Very high	88.3	Confident	70 Å²	70	66.4 Å²	66.4	37%	0.366	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-42.6	175.4	-176.8	64.8	0	0	0	111.8	F262 F631 F632 L633 A638 V639	F262-L635 HydrophobicContact CD2-CB 4.41Å; F262-L635 HydrophobicContact CD2-CD2 4.44Å; F262-L635 HydrophobicContact CD2-CG 4.3Å; F262-L635 HydrophobicContact CE2-CD2 4.47Å; F262-L635 HydrophobicContact CE2-CG 4.14Å; F631-L635 HydrophobicContact CE1-CD2 4.32Å; F631-L635 WeakPolarHBondContact O-CB 3.42Å; F631-L635 PolarHBondContact O-N 2.96Å; F632-L635 PolarHBondContact O-N 3.43Å; L633-L635 VanDerWaalsContact C-N 3.26Å; L633-L635 PolarHBondContact O-N 3.41Å; L635-A638 PolarHBondContact O-N 3.4Å; L635-V639 HydrophobicContact CD1-CG2 4.42Å; L635-V639 WeakPolarHBondContact O-CB 2.24Å; L635-V639 VanDerWaalsContact O-CG2 3.25Å; L635-V639 WeakPolarHBondContact O-CG2 2.21Å; L635-V639 PolarHBondContact O-N 3.25Å
636	G	90.1	Very high	88.8	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-43.7	175.6	0	0	0	0	0	112.6	F262 V266 F632 L633 V640	F262-G636 VanDerWaalsContact CD2-CA 3.45Å; F262-G636 VanDerWaalsContact CE2-CA 3.45Å; V266-G636 WeakPolarHBondContact CG2-O 2.95Å; F632-G636 PolarHBondContact O-N 3.46Å; L633-G636 PolarHBondContact O-N 3.35Å; L633-G636 VanDerWaalsContact O-N 3.15Å; G636-V640 PolarHBondContact O-N 3.28Å
637	F	92.6	Very high	88.4	Confident	70 Å²	70	65.2 Å²	65.2	31%	0.307	34%	0.338	S	S	.	.	H	α-helix	trans	-62.5	-50.1	174.2	178.3	-89	0	0	0	111.5	G265 L268 S269 L633 L634 V639 V640 A641	G265-F637 WeakPolarHBondContact O-CA 3.43Å; G265-F637 PolarHBondContact O-N 3.08Å; L268-F637 HydrophobicContact CD2-CD2 4.42Å; L268-F637 HydrophobicContact CG-CD2 4.37Å; S269-F637 PolarHBondContact OG-O 3.33Å; L633-F637 PolarHBondContact O-N 3.06Å; L634-F637 PolarHBondContact O-N 3.33Å; F637-V639 VanDerWaalsContact C-N 3.32Å; F637-V639 PolarHBondContact O-N 2.89Å; F637-V640 PolarHBondContact O-N 3.17Å; F637-A641 HydrophobicContact CE1-CB 4.2Å; F637-A641 WeakPolarHBondContact O-CB 3.21Å; F637-A641 PolarHBondContact O-N 2.87Å
638	A	93.1	Very high	87	Confident	50 Å²	50	64 Å²	64	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-33.1	-177.5	0	0	0	0	0	113.4	L634 L635 L642	L634-A638 WeakPolarHBondContact O-CB 2.21Å; L634-A638 PolarHBondContact O-N 3.31Å; L635-A638 PolarHBondContact O-N 3.4Å; A638-L642 WeakPolarHBondContact O-CB 3.37Å; A638-L642 PolarHBondContact O-N 2.88Å
639	V	89.2	Confident	85.5	Confident	67 Å²	67	74.5 Å²	74.5	41%	0.406	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-43	176.2	164	0	0	0	0	111.6	F262 L635 F637 Y643	F262-V639 HydrophobicContact CE2-CG2 4.44Å; L635-V639 HydrophobicContact CD1-CG2 4.42Å; L635-V639 WeakPolarHBondContact O-CB 2.24Å; L635-V639 VanDerWaalsContact O-CG2 3.25Å; L635-V639 WeakPolarHBondContact O-CG2 2.21Å; L635-V639 PolarHBondContact O-N 3.25Å; F637-V639 VanDerWaalsContact C-N 3.32Å; F637-V639 PolarHBondContact O-N 2.89Å; V639-Y643 WeakPolarHBondContact O-CB 3.25Å; V639-Y643 PolarHBondContact O-N 2.82Å
640	V	84.9	Confident	85.3	Confident	8 Å²	8	77.8 Å²	77.8	5%	0.048	40%	0.404	C	S	.	.	H	α-helix	trans	-76.9	-40.9	179.8	176.2	0	0	0	0	111.3	V266 S269 G636 F637 L642 Y643 A644	V266-V640 HydrophobicContact CB-CG2 4.07Å; V266-V640 HydrophobicContact CG1-CG2 3.6Å; V266-V640 HydrophobicContact CG2-CG2 3.97Å; S269-V640 WeakPolarHBondContact OG-CB 3.37Å; S269-V640 WeakPolarHBondContact OG-CG1 3.22Å; G636-V640 PolarHBondContact O-N 3.28Å; F637-V640 PolarHBondContact O-N 3.17Å; V640-L642 VanDerWaalsContact C-N 3.33Å; V640-L642 PolarHBondContact O-N 3.08Å; V640-Y643 WeakPolarHBondContact O-CB 3.29Å; V640-Y643 PolarHBondContact O-N 3.38Å; V640-Y643 VanDerWaalsContact O-N 3.16Å; V640-A644 PolarHBondContact O-N 3.44Å
641	A	88.2	Confident	85	Confident	26 Å²	26	76.9 Å²	76.9	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-62.3	-39	174.4	0	0	0	0	0	112.3	S269 F637 F645	S269-A641 PolarHBondContact OG-N 3.04Å; F637-A641 HydrophobicContact CE1-CB 4.2Å; F637-A641 WeakPolarHBondContact O-CB 3.21Å; F637-A641 PolarHBondContact O-N 2.87Å; A641-F645 WeakPolarHBondContact O-CB 3.23Å; A641-F645 PolarHBondContact O-N 3.32Å
642	L	89.4	Confident	84.5	Confident	97 Å²	97	74.1 Å²	74.1	51%	0.508	39%	0.394	S	S	.	.	H	α-helix	trans	-67.8	-37.4	172.8	179.8	62.1	0	0	0	111.9	A638 V640 F645 L646	A638-L642 WeakPolarHBondContact O-CB 3.37Å; A638-L642 PolarHBondContact O-N 2.88Å; V640-L642 VanDerWaalsContact C-N 3.33Å; V640-L642 PolarHBondContact O-N 3.08Å; L642-F645 PolarHBondContact O-N 3.46Å; L642-L646 HydrophobicContact CD1-CD1 3.86Å; L642-L646 HydrophobicContact CD1-CG 4.02Å; L642-L646 HydrophobicContact CG-CD1 3.84Å; L642-L646 HydrophobicContact CG-CG 4.37Å; L642-L646 WeakPolarHBondContact O-CB 3.47Å; L642-L646 VanDerWaalsContact O-CG 3.24Å; L642-L646 WeakPolarHBondContact O-CG 3.37Å; L642-L646 PolarHBondContact O-N 3.3Å
643	Y	83.4	Confident	84.1	Confident	54 Å²	54	76.1 Å²	76.1	21%	0.212	41%	0.407	C	S	.	.	H	α-helix	trans	-62.9	-48.8	175.3	175.4	-108.3	0	0	0	111.8	A517 L520 V639 V640 F645 L646 M647	A517-Y643 WeakPolarHBondContact CA-OH 3.34Å; L520-Y643 HydrophobicContact CB-CE1 4.36Å; L520-Y643 HydrophobicContact CD1-CD2 4.1Å; L520-Y643 HydrophobicContact CD1-CE1 4.36Å; L520-Y643 HydrophobicContact CD1-CE2 3.72Å; L520-Y643 HydrophobicContact CD2-CD1 4.03Å; L520-Y643 HydrophobicContact CD2-CE1 4.03Å; L520-Y643 HydrophobicContact CD2-CG 4.33Å; L520-Y643 HydrophobicContact CG-CE1 4.48Å; V639-Y643 WeakPolarHBondContact O-CB 3.25Å; V639-Y643 PolarHBondContact O-N 2.82Å; V640-Y643 WeakPolarHBondContact O-CB 3.29Å; V640-Y643 PolarHBondContact O-N 3.38Å; V640-Y643 VanDerWaalsContact O-N 3.16Å; Y643-F645 VanDerWaalsContact C-N 3.3Å; Y643-F645 PolarHBondContact O-N 2.88Å; Y643-L646 PolarHBondContact O-N 2.81Å; Y643-L646 VanDerWaalsContact O-N 3.1Å; Y643-M647 HydrophobicContact CD2-CG 4.49Å; Y643-M647 HydrophobicContact CE1-CG 4.41Å; Y643-M647 HydrophobicContact CE2-CE 3.8Å; Y643-M647 HydrophobicContact CE2-CG 3.98Å; Y643-M647 PolarHBondContact O-N 2.97Å; Y643-M647 VanDerWaalsContact O-N 3.08Å; Y643-M647 VanDerWaalsContact OH-CE 3.22Å; Y643-M647 WeakPolarHBondContact OH-CE 3.48Å
644	A	80.4	Confident	83.6	Confident	45 Å²	45	80.1 Å²	80.1	37%	0.372	43%	0.428	S	S	.	.	H	α-helix	trans	-60.4	-38	175.4	0	0	0	0	0	112.1	V640 L646	V640-A644 PolarHBondContact O-N 3.44Å; A644-L646 VanDerWaalsContact C-N 3.34Å; A644-L646 PolarHBondContact O-N 3.01Å
645	F	85.8	Confident	82.9	Confident	171 Å²	171	79.9 Å²	79.9	75%	0.75	43%	0.428	S	S	*	.	H	α-helix	trans	-70.1	-26.4	174.9	-177.9	-97.1	0	0	0	114.1	A641 L642 Y643	A641-F645 WeakPolarHBondContact O-CB 3.23Å; A641-F645 PolarHBondContact O-N 3.32Å; L642-F645 PolarHBondContact O-N 3.46Å; Y643-F645 VanDerWaalsContact C-N 3.3Å; Y643-F645 PolarHBondContact O-N 2.88Å
646	L	85.3	Confident	82.1	Confident	116 Å²	116	80.6 Å²	80.6	61%	0.607	43%	0.432	S	S	*	.	H	α-helix	trans	-92.6	-7.1	180	-71.5	175.8	0	0	0	114	L642 Y643 A644 P648	L642-L646 HydrophobicContact CD1-CD1 3.86Å; L642-L646 HydrophobicContact CD1-CG 4.02Å; L642-L646 HydrophobicContact CG-CD1 3.84Å; L642-L646 HydrophobicContact CG-CG 4.37Å; L642-L646 WeakPolarHBondContact O-CB 3.47Å; L642-L646 VanDerWaalsContact O-CG 3.24Å; L642-L646 WeakPolarHBondContact O-CG 3.37Å; L642-L646 PolarHBondContact O-N 3.3Å; Y643-L646 PolarHBondContact O-N 2.81Å; Y643-L646 VanDerWaalsContact O-N 3.1Å; A644-L646 VanDerWaalsContact C-N 3.34Å; A644-L646 PolarHBondContact O-N 3.01Å; L646-P648 VanDerWaalsContact O-CD 3.23Å; L646-P648 WeakPolarHBondContact O-CD 3.5Å
647	M	73.7	Confident	81.5	Confident	72 Å²	72	86.8 Å²	86.8	36%	0.355	47%	0.466	S	S	.	.			trans	-96.1	103.7	170.8	-81.3	-62.8	-159.5	0	0	110.2	T516 Y643	T516-M647 HydrophobicContact CG2-CE 4.32Å; Y643-M647 HydrophobicContact CD2-CG 4.49Å; Y643-M647 HydrophobicContact CE1-CG 4.41Å; Y643-M647 HydrophobicContact CE2-CE 3.8Å; Y643-M647 HydrophobicContact CE2-CG 3.98Å; Y643-M647 PolarHBondContact O-N 2.97Å; Y643-M647 VanDerWaalsContact O-N 3.08Å; Y643-M647 VanDerWaalsContact OH-CE 3.22Å; Y643-M647 WeakPolarHBondContact OH-CE 3.48Å
648	P	59	Low	80.5	Confident	119 Å²	119	88.2 Å²	88.2	77%	0.773	48%	0.479	S	S	*	.			trans	-75.7	124	165.7	30.8	-32.3	0	0	0	110.3	L646	L646-P648 VanDerWaalsContact O-CD 3.23Å; L646-P648 WeakPolarHBondContact O-CD 3.5Å
649	E	54.2	Low	79.4	Confident	233 Å²	233	91.6 Å²	91.6	100%	1.089	49%	0.485	S	S	*	.			trans	-64.7	0	165.7	-71.2	-80.3	123.5	0	0	112.6

Retrieved 649 of 649 residues in 874.5 ms (Link to these results)

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