A0A5K4F5H2_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4F5H2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 629 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	25	Very low	161 Å²	161	147.1 Å²	147.1	79%	0.793	70%	0.702	S	S	*	*				0	-171.3	0	-98.1	170.2	-164.7	0	0	108.1	N100 H101 D102	M1-N100 HydrophobicContact CB-CB 4.16Å; M1-N100 WeakPolarHBondContact CB-OD1 3.49Å; M1-H101 HydrophobicContact CB-CB 4.13Å; M1-H101 WeakPolarHBondContact CB-CD2 3.33Å; M1-H101 WeakPolarHBondContact CB-NE2 3.3Å; M1-H101 WeakPolarHBondContact CE-CE1 3.36Å; M1-H101 WeakPolarHBondContact CE-ND1 3.42Å; M1-H101 HydrophobicContact CG-CB 3.46Å; M1-H101 VanDerWaalsContact CG-CB 3.46Å; M1-H101 WeakPolarHBondContact CG-CD2 3.37Å; M1-H101 WeakPolarHBondContact CG-CE1 3.39Å; M1-H101 WeakPolarHBondContact CG-ND1 3.45Å; M1-H101 WeakPolarHBondContact CG-NE2 3.21Å; M1-H101 HydrophobicContact SD-CB 3.48Å; M1-H101 WeakPolarHBondContact SD-CB 3.31Å; M1-H101 PolarHBondContact SD-CD2 2.8Å; M1-H101 PolarHBondContact SD-CE1 3.43Å; M1-H101 PolarHBondContact SD-ND1 3.12Å; M1-H101 PolarHBondContact SD-NE2 2.72Å; M1-D102 VanDerWaalsContact CE-OD2 3.31Å; M1-D102 WeakPolarHBondContact CE-OD2 3.37Å
2	N	23.4	Very low	25	Very low	56 Å²	56	144.6 Å²	144.6	30%	0.299	71%	0.712	S	S	.	*			trans	-57.8	158.1	-162.9	-48.9	6.6	0	0	0	118.7	N100 H101	N2-N100 VanDerWaalsContact CG-C 3.43Å; N2-N100 PolarHBondContact O-N 3.42Å; N2-H101 PolarHBondContact ND2-N 3.38Å; N2-H101 PolarHBondContact ND2-O 2.93Å; N2-H101 WeakPolarHBondContact OD1-CA 3.35Å; N2-H101 PolarHBondContact OD1-N 3.42Å; N2-H101 PolarHBondContact OD1-O 3.24Å
3	E	24.1	Very low	24.9	Very low	103 Å²	103	142.8 Å²	142.8	48%	0.481	72%	0.715	S	S	.	*			trans	67.6	132.4	144.6	-70.9	160.6	-105.8	0	0	117.9
4	Q	24.9	Very low	24.9	Very low	142 Å²	142	143.4 Å²	143.4	66%	0.664	72%	0.721	S	S	*	*			cis	-153.9	174.6	15.7	-125.7	162.6	59.6	0	0	113.1
5	S	24.2	Very low	24.8	Very low	93 Å²	93	141.3 Å²	141.3	65%	0.65	73%	0.725	S	S	*	*			trans	-41.2	158	174.6	8.3	0	0	0	0	119.7
6	F	22.8	Very low	24.9	Very low	187 Å²	187	141.3 Å²	141.3	82%	0.82	73%	0.727	S	S	*	*			trans	79.2	100.8	147	-89.9	-116.3	0	0	0	121.9
7	T	23.9	Very low	24.9	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.724	73%	0.732	S	S	*	*				34.9	122.7	127.6	61.2	0	0	0	0	121.5
8	R	23	Very low	25	Very low	174 Å²	174	147.8 Å²	147.8	66%	0.657	74%	0.74	S	S	*	*			trans	-144.8	117.3	134.5	-95.1	-173.5	-172.7	110.1	9.8	111
9	Y	26.1	Very low	25	Very low	236 Å²	236	148.3 Å²	148.3	93%	0.925	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-97.2	144.3	159	-112.6	-100.2	0	0	0	108
10	H	26.7	Very low	25.2	Very low	188 Å²	188	147.2 Å²	147.2	87%	0.87	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-66.6	141.2	-176.7	-91.5	-111.2	0	0	0	112.7
11	L	23.8	Very low	25.2	Very low	160 Å²	160	146.6 Å²	146.6	84%	0.838	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-81.7	124.2	170.7	-77.7	142.6	0	0	0	110
12	S	25.2	Very low	24.9	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	73%	0.727	S	S	*	*			trans	-94.7	112.2	149.7	58.5	0	0	0	0	107.7
13	T	23.2	Very low	25	Very low	122 Å²	122	148.9 Å²	148.9	75%	0.748	75%	0.748	S	S	*	*			trans	-67.6	131.6	180	46	0	0	0	0	111.6
14	N	25	Very low	25.2	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	74%	0.743	S	S	*	*			trans	-141.4	114.9	147.7	-102.8	-0.2	0	0	0	107.6	D16	N14-D16 PolarHBondContact O-N 3.26Å
15	S	23.8	Very low	25.5	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	74%	0.741	S	S	*	*			trans	-91.4	86.6	175.8	47.4	0	0	0	0	108.9	E17	S15-E17 PolarHBondContact O-N 3.27Å; S15-E17 VanDerWaalsContact O-N 3.11Å
16	D	26.4	Very low	26	Very low	141 Å²	141	142.9 Å²	142.9	75%	0.754	72%	0.72	S	S	*	*			trans	-66.2	107.9	172.4	-65.1	-23.2	0	0	0	109	N14	N14-D16 PolarHBondContact O-N 3.26Å
17	E	25.2	Very low	26.3	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.813	71%	0.714	S	S	*	*			trans	-66.4	138.8	-179.1	-68.1	-177.4	105.3	0	0	112.1	S15 Q19	S15-E17 PolarHBondContact O-N 3.27Å; S15-E17 VanDerWaalsContact O-N 3.11Å; E17-Q19 PolarHBondContact O-N 2.67Å
18	Y	25.8	Very low	26.4	Very low	225 Å²	225	135.6 Å²	135.6	88%	0.882	69%	0.689	S	S	*	*			trans	-78.8	81.4	177.8	-90.2	-100.5	0	0	0	111.7
19	Q	24.6	Very low	26.7	Very low	157 Å²	157	134 Å²	134	73%	0.734	69%	0.689	S	S	*	*			trans	-116.1	84.1	159	-68	-165.1	-3.4	0	0	110.3	E17 N21	E17-Q19 PolarHBondContact O-N 2.67Å; Q19-N21 VanDerWaalsContact C-N 3.25Å; Q19-N21 PolarHBondContact O-N 3.29Å
20	E	29	Very low	26.6	Very low	126 Å²	126	126 Å²	126	59%	0.589	67%	0.666	S	S	*	*			trans	-68.4	84.5	165.2	-80.7	-160.8	159.1	0	0	109.6	N22 R580	E20-N22 PolarHBondContact O-N 2.99Å; E20-R580 IonicContact OE2-CZ 2.62Å; E20-R580 IonicContact OE2-NH1 3.49Å; E20-R580 PolarHBondContact OE2-NH1 3.05Å; E20-R580 IonicContact OE2-NH2 3.6Å
21	N	25.8	Very low	26.7	Very low	136 Å²	136	121.2 Å²	121.2	73%	0.727	64%	0.641	S	S	*	*			trans	-58.5	131	173.2	-107	-41	0	0	0	111	Q19 N23	Q19-N21 VanDerWaalsContact C-N 3.25Å; Q19-N21 PolarHBondContact O-N 3.29Å; N21-N23 PolarHBondContact O-N 3.42Å
22	N	25.3	Very low	26.9	Very low	129 Å²	129	118.4 Å²	118.4	69%	0.69	63%	0.627	S	S	*	*			trans	-64.1	114.3	-172.6	-70.6	-66.9	0	0	0	112	E20	E20-N22 PolarHBondContact O-N 2.99Å
23	N	27.1	Very low	26.8	Very low	135 Å²	135	119.8 Å²	119.8	72%	0.722	63%	0.625	S	S	*	*			trans	-155.1	91.4	169.3	-99.1	-56.7	0	0	0	111	N21 V25	N21-N23 PolarHBondContact O-N 3.42Å; N23-V25 HydrophobicContact CB-CG2 4.23Å; N23-V25 PolarHBondContact O-N 3.32Å
24	D	28.3	Very low	26.8	Very low	73 Å²	73	121.1 Å²	121.1	39%	0.39	63%	0.628	S	S	.	*			trans	-74.7	56.6	174.5	-80.8	-62.5	0	0	0	112	D26 K571	D24-D26 PolarHBondContact O-N 2.93Å; D24-K571 VanDerWaalsContact OD2-CE 3.25Å; D24-K571 WeakPolarHBondContact OD2-CE 3.32Å; D24-K571 IonicContact OD2-NZ 2.81Å; D24-K571 PolarHBondContact OD2-NZ 3.49Å
25	V	31	Very low	27	Very low	102 Å²	102	119.1 Å²	119.1	62%	0.618	63%	0.625	S	S	*	*			trans	-76.8	105.8	179	179.5	0	0	0	0	110	N23 N27	N23-V25 HydrophobicContact CB-CG2 4.23Å; N23-V25 PolarHBondContact O-N 3.32Å; V25-N27 PolarHBondContact O-N 2.82Å; V25-N27 PolarHBondContact O-ND2 3.45Å
26	D	34.4	Very low	27	Very low	38 Å²	38	122.5 Å²	122.5	20%	0.203	63%	0.626	C	S	.	*			trans	-60.6	94.5	-180	-178.4	11.8	0	0	0	111.8	D24 G28 R562 T566 I584	D24-D26 PolarHBondContact O-N 2.93Å; D26-G28 PolarHBondContact O-N 3.07Å; D26-G28 PolarHBondContact OD1-N 2.98Å; D26-R562 IonicContact OD1-NE 3.75Å; D26-R562 IonicContact OD2-NE 3.05Å; D26-T566 HydrophobicContact CB-CG2 3.6Å; D26-I584 WeakPolarHBondContact OD1-CD1 3.49Å
27	N	28.3	Very low	27	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	63%	0.63	S	S	*	*			trans	-76.5	46.1	171.5	-84.3	-93.4	0	0	0	112	V25 H29	V25-N27 PolarHBondContact O-N 2.82Å; V25-N27 PolarHBondContact O-ND2 3.45Å; N27-H29 PolarHBondContact O-N 2.87Å
28	G	26.9	Very low	26.8	Very low	20 Å²	20	121.4 Å²	121.4	21%	0.206	62%	0.621	C	S	.	*			trans	-73.7	60.1	169.8	0	0	0	0	0	112.3	D26 P30	D26-G28 PolarHBondContact O-N 3.07Å; D26-G28 PolarHBondContact OD1-N 2.98Å; G28-P30 WeakPolarHBondContact O-CD 3.44Å
29	H	28	Very low	26.8	Very low	140 Å²	140	121.8 Å²	121.8	65%	0.648	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-55.4	118.4	-174.3	-122.6	-35.9	0	0	0	113.4	N27	N27-H29 PolarHBondContact O-N 2.87Å
30	P	25.8	Very low	26.7	Very low	69 Å²	69	121.3 Å²	121.3	45%	0.448	62%	0.62	S	S	.	*	P	Polyproline II helix		-92.5	170.4	126	35.9	-34.5	0	0	0	109.9	G28 D32	G28-P30 WeakPolarHBondContact O-CD 3.44Å; P30-D32 PolarHBondContact O-N 2.81Å
31	Y	27.7	Very low	26.4	Very low	88 Å²	88	119.5 Å²	119.5	35%	0.345	62%	0.621	S	S	.	*	S	Bend	trans	-62.8	118.1	177.1	-66.3	-101	0	0	0	112.2	R514 F518	Y31-R514 VanDerWaalsContact OH-CZ 3.31Å; Y31-R514 PolarHBondContact OH-NE 2.93Å; Y31-R514 PolarHBondContact OH-NH2 3.49Å; Y31-F518 AromaticContact CD2-CD1 3.87Å; Y31-F518 HydrophobicContact CD2-CD1 3.87Å; Y31-F518 HydrophobicContact CD2-CD2 4.28Å; Y31-F518 AromaticContact CD2-CE1 3.67Å; Y31-F518 HydrophobicContact CD2-CE1 3.67Å; Y31-F518 HydrophobicContact CD2-CE2 4.1Å; Y31-F518 HydrophobicContact CD2-CG 4.18Å; Y31-F518 AromaticContact CD2-CZ 3.8Å; Y31-F518 HydrophobicContact CD2-CZ 3.8Å; Y31-F518 HydrophobicContact CE1-CD2 4.37Å; Y31-F518 HydrophobicContact CE1-CE2 4.5Å; Y31-F518 HydrophobicContact CE2-CD1 4.26Å; Y31-F518 AromaticContact CE2-CD2 3.99Å; Y31-F518 HydrophobicContact CE2-CD2 3.99Å; Y31-F518 AromaticContact CE2-CE1 3.79Å; Y31-F518 HydrophobicContact CE2-CE1 3.79Å; Y31-F518 AromaticContact CE2-CE2 3.5Å; Y31-F518 HydrophobicContact CE2-CE2 3.5Å; Y31-F518 HydrophobicContact CE2-CG 4.36Å; Y31-F518 AromaticContact CE2-CZ 3.39Å; Y31-F518 HydrophobicContact CE2-CZ 3.39Å; Y31-F518 HydrophobicContact CG-CD1 4.33Å; Y31-F518 HydrophobicContact CG-CG 4.37Å; Y31-F518 AromaticContact CZ-CE2 3.73Å
32	D	27.7	Very low	26.3	Very low	101 Å²	101	119.7 Å²	119.7	54%	0.54	62%	0.623	S	S	.	*			trans	-158.8	124.8	143.6	-92.4	-34.8	0	0	0	107	P30 R522	P30-D32 PolarHBondContact O-N 2.81Å; D32-R522 IonicContact OD1-CZ 3.4Å; D32-R522 IonicContact OD1-NH1 2.67Å; D32-R522 PolarHBondContact OD1-NH1 3.16Å; D32-R522 IonicContact OD2-CZ 2.8Å; D32-R522 IonicContact OD2-NH1 2.7Å; D32-R522 PolarHBondContact OD2-NH1 2.81Å; D32-R522 IonicContact OD2-NH2 3.89Å; D32-R522 PolarHBondContact OD2-NH2 3.06Å
33	N	24.1	Very low	26.2	Very low	145 Å²	145	120.6 Å²	120.6	78%	0.775	63%	0.627	S	S	*	*			trans	-151.3	49.1	-175.2	-157.3	81	0	0	0	111.2
34	D	23.6	Very low	26	Very low	151 Å²	151	118.7 Å²	118.7	81%	0.807	62%	0.624	S	S	*	*			trans	-122.7	100.5	171.6	-81	-51.8	0	0	0	108.6
35	S	28.5	Very low	25.7	Very low	108 Å²	108	120.1 Å²	120.1	76%	0.755	64%	0.64	S	S	*	*			trans	-147	95.9	160.1	-169.9	0	0	0	0	108.3
36	F	22.7	Very low	25.3	Very low	184 Å²	184	120.1 Å²	120.1	81%	0.807	65%	0.645	S	S	*	*			trans	-98.8	95.5	177.6	-165.9	-82.3	0	0	0	107	E38	F36-E38 HydrophobicContact CD1-CB 4.49Å; F36-E38 HydrophobicContact CE1-CB 4.22Å
37	L	26.9	Very low	24.6	Very low	158 Å²	158	123.4 Å²	123.4	83%	0.827	67%	0.671	S	S	*	*			trans	-110.1	94.6	170.6	-77.9	178.8	0	0	0	109.8
38	E	21.1	Very low	24.3	Very low	133 Å²	133	122.2 Å²	122.2	62%	0.621	67%	0.672	S	S	*	*			trans	-62.2	124.6	164.4	172.3	173.3	-139.1	0	0	110.2	F36	F36-E38 HydrophobicContact CD1-CB 4.49Å; F36-E38 HydrophobicContact CE1-CB 4.22Å
39	Y	25.2	Very low	24	Very low	234 Å²	234	126.7 Å²	126.7	92%	0.918	70%	0.701	S	S	*	*			trans	-143.7	129.6	156.6	-113.6	-82.3	0	0	0	109
40	Q	23.7	Very low	23.8	Very low	147 Å²	147	125.8 Å²	125.8	69%	0.687	71%	0.71	S	S	*	*			trans	-96.4	162.7	-176	-65.7	-172.5	5.2	0	0	112.2
41	S	22.5	Very low	23.5	Very low	87 Å²	87	132 Å²	132	61%	0.608	73%	0.726	S	S	*	*			trans	63.6	106.1	144	61.3	0	0	0	0	120
42	N	22.6	Very low	23.4	Very low	141 Å²	141	134 Å²	134	75%	0.754	75%	0.747	S	S	*	*				90.1	143.6	121	-60.5	-4.3	0	0	0	120.2
43	N	24.6	Very low	23	Very low	148 Å²	148	135 Å²	135	79%	0.791	75%	0.753	S	S	*	*			trans	65.2	140.2	161.2	-57.2	-7.6	0	0	0	117
44	S	22.7	Very low	23	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	76%	0.758	S	S	*	*			cis	-179.8	155.2	-30.6	40.2	0	0	0	0	106.4
45	S	22.2	Very low	22.9	Very low	104 Å²	104	139 Å²	139	73%	0.727	75%	0.754	S	S	*	*			trans	59.6	128	162	50.8	0	0	0	0	120.5
46	S	21.8	Very low	22.6	Very low	101 Å²	101	141 Å²	141	71%	0.706	76%	0.755	S	S	*	*			trans	69.3	105.9	139.2	60.2	0	0	0	0	122.7
47	S	20.9	Very low	22.7	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	76%	0.756	S	S	*	*				85.4	149.6	118.5	62.8	0	0	0	0	124.1
48	S	21.6	Very low	22.5	Very low	105 Å²	105	138 Å²	138	73%	0.734	75%	0.75	S	S	*	*			trans	67	89.4	153.8	48.7	0	0	0	0	121.2
49	S	20.4	Very low	22.7	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	76%	0.764	S	S	*	*				24.9	125.9	112.6	169.2	0	0	0	0	119.9
50	S	23	Very low	22.6	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	76%	0.756	S	S	*	*			trans	-164.8	161.8	130.9	32.4	0	0	0	0	113.3
51	Y	20.5	Very low	22.6	Very low	200 Å²	200	135.8 Å²	135.8	78%	0.784	76%	0.761	S	S	*	*			trans	-77.9	154.1	-179	-99.9	-116	0	0	0	113.7
52	V	25.2	Very low	22.6	Very low	129 Å²	129	138 Å²	138	78%	0.782	77%	0.766	S	S	*	*			trans	-141.5	129.2	139.2	-177.5	0	0	0	0	109.5	Y54	V52-Y54 HydrophobicContact CG1-CD2 4.31Å
53	N	20.2	Very low	22.6	Very low	123 Å²	123	135.7 Å²	135.7	66%	0.658	76%	0.761	S	S	*	*			trans	-104.8	156.8	165.3	-93.4	-11.9	0	0	0	109.1
54	Y	23.5	Very low	22.6	Very low	224 Å²	224	135.5 Å²	135.5	88%	0.878	76%	0.76	S	S	*	*			trans	-151.4	163.8	150.8	-101.1	-66.2	0	0	0	111.8	V52	V52-Y54 HydrophobicContact CG1-CD2 4.31Å
55	E	21.4	Very low	22.6	Very low	156 Å²	156	138.9 Å²	138.9	73%	0.729	77%	0.766	S	S	*	*			trans	-124.7	153	-149.6	-74.4	-177.6	98.3	0	0	116.3
56	L	22.9	Very low	22.6	Very low	148 Å²	148	140.5 Å²	140.5	78%	0.775	76%	0.764	S	S	*	*			trans	58	159	136.3	-67.5	171.4	0	0	0	124
57	Q	24.9	Very low	22.6	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	77%	0.767	S	S	*	*			trans	98.9	103.7	163.6	-54.8	-175.8	23.6	0	0	115.5
58	S	22.4	Very low	22.6	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	77%	0.769	S	S	*	*			cis	86.3	116.3	40.9	80.7	0	0	0	0	115.5
59	K	25.7	Very low	22.6	Very low	209 Å²	209	145.4 Å²	145.4	91%	0.909	77%	0.765	S	S	*	*			trans	-173.7	165.2	143.1	-105.2	161.1	-173.6	177.9	0	112
60	N	21.7	Very low	22.7	Very low	141 Å²	141	151 Å²	151	75%	0.754	77%	0.768	S	S	*	*			trans	-107.9	160.1	-163.7	-51.5	-8.1	0	0	0	113.2
61	C	24.9	Very low	22.7	Very low	117 Å²	117	153.9 Å²	153.9	79%	0.791	77%	0.77	S	S	*	*				-162.5	133.9	123.8	-88.1	0	0	0	0	105.9
62	D	22.5	Very low	22.9	Very low	134 Å²	134	152.9 Å²	152.9	72%	0.717	77%	0.773	S	S	*	*				66.9	124.6	54.5	-50.6	-41.6	0	0	0	111.8
63	S	22.6	Very low	22.9	Very low	92 Å²	92	155.5 Å²	155.5	64%	0.643	77%	0.774	S	S	*	*			cis	-156.8	-163.2	-15.9	55.3	0	0	0	0	109.1
64	D	23.2	Very low	23.1	Very low	144 Å²	144	156 Å²	156	77%	0.77	78%	0.776	S	S	*	*			trans	71.8	146.7	163.3	-42.6	-17.9	0	0	0	116.9
65	E	23.7	Very low	23.2	Very low	166 Å²	166	153.3 Å²	153.3	78%	0.776	77%	0.769	S	S	*	*			cis	-147.5	145.6	-4.1	-136.5	-176.2	164.8	0	0	112.8
66	I	21.5	Very low	23.2	Very low	137 Å²	137	151.3 Å²	151.3	70%	0.703	76%	0.762	S	S	*	*			trans	22.9	107.8	147.5	-62.1	171.3	0	0	0	120.3
67	L	21.7	Very low	23.2	Very low	144 Å²	144	152.8 Å²	152.8	75%	0.754	76%	0.763	S	S	*	*				40.7	123.3	113.9	-149.6	92.7	0	0	0	121.2
68	D	21.7	Very low	23.2	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	75%	0.752	S	S	*	*				-158.1	174.9	120	-144.8	-16.8	0	0	0	113
69	L	21	Very low	23.2	Very low	123 Å²	123	149.7 Å²	149.7	64%	0.644	75%	0.748	S	S	*	*			trans	-128.2	173.5	-161.6	-71.8	159.3	0	0	0	114
70	R	21.8	Very low	23	Very low	232 Å²	232	151.2 Å²	151.2	88%	0.875	75%	0.748	S	S	*	*			trans	76.6	160.1	163.9	-45.2	179.5	-178.7	165.2	2.5	114.6
71	M	23.8	Very low	23.2	Very low	182 Å²	182	149 Å²	149	90%	0.897	74%	0.741	S	S	*	*			cis	-130.4	155.5	12.7	-71.9	-175.7	76.4	0	0	115.8
72	H	24.6	Very low	23.1	Very low	180 Å²	180	148.4 Å²	148.4	83%	0.833	74%	0.738	S	S	*	*			trans	-58.4	159.7	171.5	-82.3	-98.3	0	0	0	117.5
73	K	25.9	Very low	23	Very low	184 Å²	184	148.1 Å²	148.1	80%	0.8	74%	0.742	S	S	*	*				149.6	145.7	127.8	-83.1	176.6	179	175.5	0	109.2
74	N	24.2	Very low	22.9	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	74%	0.744	S	S	*	*			cis	-156.2	167.2	5.6	-93.5	-22.7	0	0	0	107.1
75	K	25	Very low	22.8	Very low	166 Å²	166	150 Å²	150	72%	0.722	75%	0.747	S	S	*	*			cis	-160	128.5	-12.1	-119.2	-151	172.3	-171.2	0	108.8
76	I	22	Very low	22.7	Very low	114 Å²	114	147 Å²	147	59%	0.585	75%	0.745	S	S	*	*			trans	47.8	149.1	133.7	-36.2	170.2	0	0	0	121.7
77	F	22.1	Very low	22.7	Very low	179 Å²	179	145.2 Å²	145.2	79%	0.785	74%	0.744	S	S	*	*			trans	86.3	120.5	167.1	-62.1	-76	0	0	0	117.3
78	D	24.7	Very low	22.6	Very low	117 Å²	117	142.8 Å²	142.8	63%	0.626	74%	0.739	S	S	*	*			cis	-156	170.6	-14.2	-140.2	38.1	0	0	0	116.6
79	T	22.3	Very low	22.6	Very low	98 Å²	98	140.7 Å²	140.7	60%	0.601	74%	0.736	S	S	*	*			trans	-25.2	162.3	164.6	63.4	0	0	0	0	119.6
80	W	22.3	Very low	22.7	Very low	242 Å²	242	139.1 Å²	139.1	92%	0.917	74%	0.736	S	S	*	*			cis	-154.8	175.9	-3.9	-125.2	28.1	0	0	0	111.7
81	P	25.6	Very low	22.6	Very low	94 Å²	94	136.7 Å²	136.7	61%	0.61	73%	0.732	S	S	*	*			trans	-121.7	-165.4	-156.2	45	-35.3	0	0	0	116.4
82	S	21.9	Very low	22.5	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	73%	0.725	S	S	*	*			trans	89	155.2	167.3	-32.2	0	0	0	0	115.5
83	T	21.3	Very low	22.4	Very low	128 Å²	128	131.4 Å²	131.4	79%	0.785	72%	0.715	S	S	*	*			cis	-142.3	162.4	9.5	-27.9	0	0	0	0	112.3
84	T	20	Very low	22.1	Very low	115 Å²	115	128 Å²	128	71%	0.706	70%	0.704	S	S	*	*			trans	-51.1	154.6	160.1	45.1	0	0	0	0	111.9
85	I	22	Very low	21.9	Very low	160 Å²	160	129.2 Å²	129.2	82%	0.821	70%	0.704	S	S	*	*				-163.6	159.8	89.3	-95.2	160.8	0	0	0	111.7
86	S	20.2	Very low	21.8	Very low	104 Å²	104	125.7 Å²	125.7	73%	0.727	70%	0.7	S	S	*	*			trans	-71	178.2	173.9	56.1	0	0	0	0	111.7
87	S	21.7	Very low	21.8	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	70%	0.7	S	S	*	*			cis	-159.3	168.9	23.2	52.6	0	0	0	0	112.5
88	S	20.8	Very low	21.8	Very low	94 Å²	94	121.1 Å²	121.1	66%	0.657	69%	0.688	S	S	*	*			trans	-0.8	142.8	157.7	53.5	0	0	0	0	122.3
89	S	21.7	Very low	21.8	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	69%	0.688	S	S	*	*			trans	70	149.1	140.8	61.5	0	0	0	0	120
90	S	22	Very low	21.9	Very low	91 Å²	91	120.9 Å²	120.9	64%	0.636	68%	0.681	S	S	*	*			cis	-169.1	175.9	-18.5	-92.7	0	0	0	0	108.8
91	F	20.7	Very low	22.1	Very low	181 Å²	181	113.3 Å²	113.3	79%	0.794	66%	0.656	S	S	*	*			trans	67.6	106.1	161.4	-63.2	-61.8	0	0	0	116.6
92	H	21.8	Very low	22.1	Very low	164 Å²	164	113.7 Å²	113.7	76%	0.759	65%	0.652	S	S	*	*				87.3	112.9	95.7	-105.4	-126.1	0	0	0	113.7
93	S	21.8	Very low	22.2	Very low	87 Å²	87	115.4 Å²	115.4	61%	0.608	65%	0.653	S	S	*	*				95	146.5	104.4	76.4	0	0	0	0	112.7
94	L	19.9	Very low	22.5	Very low	111 Å²	111	117.2 Å²	117.2	58%	0.581	66%	0.659	S	S	*	*			cis	-164.7	140.5	-0.9	-106.8	156.2	0	0	0	108.6
95	F	20.8	Very low	22.6	Very low	161 Å²	161	119.5 Å²	119.5	71%	0.706	66%	0.661	S	S	*	*			trans	58.8	167.5	166.6	-70.7	-75.4	0	0	0	116.7
96	S	21.9	Very low	22.6	Very low	91 Å²	91	117.9 Å²	117.9	64%	0.636	66%	0.663	S	S	*	*			cis	-152	127.9	9.2	-134.3	0	0	0	0	110.6
97	T	22.2	Very low	22.7	Very low	97 Å²	97	121.5 Å²	121.5	60%	0.595	67%	0.665	S	S	*	*				71.5	126	102.5	63.5	0	0	0	0	119.9
98	N	22.7	Very low	22.9	Very low	100 Å²	100	125.3 Å²	125.3	54%	0.535	68%	0.676	S	S	.	*			trans	74.8	160.7	158.7	-45.1	-22.6	0	0	0	115.9
99	M	24.4	Very low	22.9	Very low	127 Å²	127	125.4 Å²	125.4	63%	0.626	68%	0.677	S	S	*	*			cis	-152.2	138.3	26.6	-88.1	-66.7	-177.5	0	0	115.2
100	N	25	Very low	23	Very low	84 Å²	84	127.2 Å²	127.2	45%	0.449	68%	0.678	S	S	.	*			trans	56.3	130.9	130.8	-76.3	-18.9	0	0	0	126.8	M1 N2	M1-N100 HydrophobicContact CB-CB 4.16Å; M1-N100 WeakPolarHBondContact CB-OD1 3.49Å; N2-N100 VanDerWaalsContact CG-C 3.43Å; N2-N100 PolarHBondContact O-N 3.42Å
101	H	25.4	Very low	23.1	Very low	82 Å²	82	127.1 Å²	127.1	38%	0.38	68%	0.677	S	S	.	*			trans	67	144.6	156.1	-76.9	-90.1	0	0	0	119.9	M1 N2	M1-H101 HydrophobicContact CB-CB 4.13Å; M1-H101 WeakPolarHBondContact CB-CD2 3.33Å; M1-H101 WeakPolarHBondContact CB-NE2 3.3Å; M1-H101 WeakPolarHBondContact CE-CE1 3.36Å; M1-H101 WeakPolarHBondContact CE-ND1 3.42Å; M1-H101 HydrophobicContact CG-CB 3.46Å; M1-H101 VanDerWaalsContact CG-CB 3.46Å; M1-H101 WeakPolarHBondContact CG-CD2 3.37Å; M1-H101 WeakPolarHBondContact CG-CE1 3.39Å; M1-H101 WeakPolarHBondContact CG-ND1 3.45Å; M1-H101 WeakPolarHBondContact CG-NE2 3.21Å; M1-H101 HydrophobicContact SD-CB 3.48Å; M1-H101 WeakPolarHBondContact SD-CB 3.31Å; M1-H101 PolarHBondContact SD-CD2 2.8Å; M1-H101 PolarHBondContact SD-CE1 3.43Å; M1-H101 PolarHBondContact SD-ND1 3.12Å; M1-H101 PolarHBondContact SD-NE2 2.72Å; N2-H101 PolarHBondContact ND2-N 3.38Å; N2-H101 PolarHBondContact ND2-O 2.93Å; N2-H101 WeakPolarHBondContact OD1-CA 3.35Å; N2-H101 PolarHBondContact OD1-N 3.42Å; N2-H101 PolarHBondContact OD1-O 3.24Å
102	D	27	Very low	23.3	Very low	102 Å²	102	125 Å²	125	55%	0.545	68%	0.679	S	S	.	*			cis	-151.6	-167.2	16	-137.7	-33.5	0	0	0	116.2	M1	M1-D102 VanDerWaalsContact CE-OD2 3.31Å; M1-D102 WeakPolarHBondContact CE-OD2 3.37Å
103	N	23	Very low	23.5	Very low	140 Å²	140	122 Å²	122	75%	0.749	67%	0.674	S	S	*	*			trans	-69.2	161.5	175.4	-63.2	-92.8	0	0	0	114.6
104	D	27.2	Very low	23.5	Very low	167 Å²	167	124.8 Å²	124.8	89%	0.893	68%	0.681	S	S	*	*				-164.2	168.1	119.9	-130.2	-30.2	0	0	0	115.7
105	Q	22	Very low	23.6	Very low	163 Å²	163	125.9 Å²	125.9	76%	0.762	69%	0.688	S	S	*	*			trans	-120.3	135.1	176.9	-66.6	-172.7	12.8	0	0	114.5
106	C	21.6	Very low	23.7	Very low	126 Å²	126	125 Å²	125	85%	0.851	69%	0.69	S	S	*	*			trans	-157.4	127.8	144.7	-94.1	0	0	0	0	107.6
107	K	22.4	Very low	23.8	Very low	180 Å²	180	126.1 Å²	126.1	78%	0.783	69%	0.693	S	S	*	*				53.2	106.1	57	-74.8	-172.1	178.3	175.5	0	114.3
108	I	25.8	Very low	23.8	Very low	178 Å²	178	126.4 Å²	126.4	91%	0.913	70%	0.695	S	S	*	*				-157.9	145.8	127.3	-99.3	151.4	0	0	0	107.9
109	S	21	Very low	23.8	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	71%	0.712	S	S	*	*			trans	-105.5	165.5	-179.1	53.2	0	0	0	0	111.9
110	N	25.2	Very low	23.8	Very low	144 Å²	144	131.9 Å²	131.9	77%	0.77	72%	0.718	S	S	*	*			trans	163.7	115.4	142.3	-81.4	-4.9	0	0	0	108.1
111	S	23.1	Very low	23.7	Very low	88 Å²	88	134.4 Å²	134.4	62%	0.615	73%	0.731	S	S	*	*				77.1	102.1	64.1	77.1	0	0	0	0	112.5
112	V	24.3	Very low	23.6	Very low	136 Å²	136	139.3 Å²	139.3	82%	0.824	75%	0.754	S	S	*	*				91.3	142.3	83.4	149.1	0	0	0	0	112.2
113	P	27.2	Very low	23.5	Very low	101 Å²	101	141.6 Å²	141.6	66%	0.656	76%	0.762	S	S	*	*			cis	-146.3	-171.9	-28.6	45.4	-26.6	0	0	0	115.7
114	L	20.8	Very low	23.7	Very low	146 Å²	146	144.6 Å²	144.6	76%	0.764	77%	0.768	S	S	*	*			trans	51.1	156.2	140.5	-110.9	66.9	0	0	0	125.6
115	N	22.9	Very low	23.7	Very low	134 Å²	134	143.9 Å²	143.9	72%	0.717	76%	0.759	S	S	*	*			trans	70.1	143.4	165.5	-54.1	-17	0	0	0	114.8
116	N	22.7	Very low	23.9	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	75%	0.746	S	S	*	*			cis	-155.7	177	3.6	-134.1	3.2	0	0	0	108.3
117	V	23.8	Very low	24	Very low	114 Å²	114	141.1 Å²	141.1	69%	0.691	74%	0.74	S	S	*	*			cis	-141.1	-106.2	7.7	63.6	0	0	0	0	113.3
118	T	22.1	Very low	24.3	Very low	103 Å²	103	135.7 Å²	135.7	63%	0.632	73%	0.729	S	S	*	*			trans	-152.4	140.8	-162.3	52.3	0	0	0	0	114.8
119	E	23.8	Very low	24.2	Very low	194 Å²	194	133.4 Å²	133.4	91%	0.907	72%	0.717	S	S	*	*			trans	-161.1	85.8	141.9	-113.6	174.4	-167.9	0	0	106.9
120	M	22.8	Very low	24.3	Very low	149 Å²	149	137.3 Å²	137.3	73%	0.734	72%	0.723	S	S	*	*				71.9	111.8	84.5	-81.3	-175.3	55.7	0	0	116.5
121	N	24.1	Very low	24.5	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	72%	0.717	S	S	*	*			trans	49.4	104	147.8	-60.1	-16.6	0	0	0	120.3
122	E	23.1	Very low	24.7	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	72%	0.721	S	S	*	*	S	Bend		-168.4	52.1	121.1	-116.6	-177.3	-153	0	0	116.7
123	Q	24.5	Very low	24.7	Very low	150 Å²	150	140.8 Å²	140.8	70%	0.701	72%	0.719	S	S	*	*			trans	-144.6	22.8	170.8	-140.4	88.1	106.4	0	0	117.5	H125	Q123-H125 PolarHBondContact O-N 3.07Å
124	K	28.1	Very low	24.5	Very low	203 Å²	203	143.8 Å²	143.8	88%	0.883	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	6.5	171.1	-82	-172.7	173.7	-179.9	0	114.7
125	H	27	Very low	24.7	Very low	151 Å²	151	141.9 Å²	141.9	70%	0.699	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-10.9	-168.6	-115.8	-63.2	0	0	0	116.6	Q123	Q123-H125 PolarHBondContact O-N 3.07Å
126	I	25.2	Very low	24.7	Very low	97 Å²	97	140.5 Å²	140.5	50%	0.497	72%	0.724	S	S	.	*	S	Bend	trans	-90.8	-27.3	-175	-62.5	-178.5	0	0	0	112.5	A128 L129	I126-A128 PolarHBondContact O-N 3.48Å; I126-A128 VanDerWaalsContact O-N 3.11Å; I126-L129 PolarHBondContact O-N 3.32Å; I126-L129 VanDerWaalsContact O-N 3.09Å
127	D	24.8	Very low	24.7	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-14.6	172.3	-71.3	-37.8	0	0	0	113.3	N131	D127-N131 PolarHBondContact O-ND2 2.85Å
128	A	28.8	Very low	24.8	Very low	66 Å²	66	140.4 Å²	140.4	55%	0.545	73%	0.726	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-27.2	174.2	0	0	0	0	0	113.8	I126	I126-A128 PolarHBondContact O-N 3.48Å; I126-A128 VanDerWaalsContact O-N 3.11Å
129	L	23.5	Very low	24.8	Very low	129 Å²	129	141.6 Å²	141.6	68%	0.675	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-20.5	-167.9	-77	167.1	0	0	0	114.5	I126	I126-L129 PolarHBondContact O-N 3.32Å; I126-L129 VanDerWaalsContact O-N 3.09Å
130	F	23.4	Very low	24.9	Very low	178 Å²	178	136.6 Å²	136.6	78%	0.781	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-4.1	178.2	-130.6	-93.4	0	0	0	114.3
131	N	29	Very low	25	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	6.1	-173.3	-77.7	-54	0	0	0	114.7	D127	D127-N131 PolarHBondContact O-ND2 2.85Å
132	H	27	Very low	25	Very low	150 Å²	150	136.3 Å²	136.3	69%	0.694	73%	0.732	S	S	*	*	S	Bend	trans	-121	4.8	-167.7	-147.1	-66.6	0	0	0	115.7
133	H	23.7	Very low	24.9	Very low	171 Å²	171	132.9 Å²	132.9	79%	0.792	73%	0.728	S	S	*	*	S	Bend	trans	-117.4	2.6	-173.4	-103.7	-66.7	0	0	0	116.6
134	L	23.9	Very low	24.8	Very low	164 Å²	164	133.9 Å²	133.9	86%	0.859	74%	0.736	S	S	*	*	S	Bend	trans	-124.4	5	168.7	-78.4	169.9	0	0	0	113.3	S136	L134-S136 PolarHBondContact O-N 2.92Å; L134-S136 VanDerWaalsContact O-N 3.08Å
135	T	24.4	Very low	24.6	Very low	106 Å²	106	129.9 Å²	129.9	65%	0.65	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	51.6	177.7	45	0	0	0	0	112.1
136	S	23.1	Very low	24.4	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147	5.8	-176.7	61.6	0	0	0	0	115	L134	L134-S136 PolarHBondContact O-N 2.92Å; L134-S136 VanDerWaalsContact O-N 3.08Å
137	S	23	Very low	24.3	Very low	93 Å²	93	128.6 Å²	128.6	65%	0.65	74%	0.737	S	S	*	*	S	Bend	trans	-131.5	129	-176.7	-68.4	0	0	0	0	112.2
138	L	25.3	Very low	24.3	Very low	162 Å²	162	128.6 Å²	128.6	85%	0.848	74%	0.742	S	S	*	*			trans	66.7	54.3	167.4	-64.2	149.2	0	0	0	115.9	S140	L138-S140 PolarHBondContact O-N 3.41Å
139	S	22.4	Very low	24.3	Very low	128 Å²	128	130.5 Å²	130.5	90%	0.895	75%	0.747	S	S	*	*			trans	-69.1	85.1	159.1	53.7	0	0	0	0	111.8
140	S	25.8	Very low	24.6	Very low	90 Å²	90	127.6 Å²	127.6	63%	0.629	73%	0.734	S	S	*	*			trans	-152.7	102.7	169.5	60.2	0	0	0	0	113.1	L138	L138-S140 PolarHBondContact O-N 3.41Å
141	L	24.3	Very low	24.8	Very low	166 Å²	166	124.5 Å²	124.5	87%	0.869	73%	0.726	S	S	*	*			trans	19.3	155.4	148.2	-77	80.1	0	0	0	121.9
142	P	24.4	Very low	24.7	Very low	114 Å²	114	123.3 Å²	123.3	74%	0.74	72%	0.723	S	S	*	*			cis	-138.1	172.6	-25.1	37.5	-19.9	0	0	0	114.6
143	S	21.2	Very low	24.9	Very low	112 Å²	112	120 Å²	120	78%	0.783	71%	0.714	S	S	*	*			trans	-68.9	144.2	168.7	-47.4	0	0	0	0	112.9
144	I	23.5	Very low	25.1	Very low	171 Å²	171	118.3 Å²	118.3	88%	0.877	70%	0.704	S	S	*	*			trans	-151.9	155.2	142	-100.7	149.8	0	0	0	107.8
145	T	22	Very low	25.2	Very low	119 Å²	119	114.9 Å²	114.9	73%	0.73	69%	0.686	S	S	*	*			trans	-99.9	174	-159.6	46.4	0	0	0	0	115
146	T	23	Very low	25.4	Very low	121 Å²	121	114.8 Å²	114.8	74%	0.742	68%	0.682	S	S	*	*			trans	96.1	148.5	161.6	75.3	0	0	0	0	120
147	T	23.5	Very low	25.7	Very low	100 Å²	100	114 Å²	114	61%	0.613	67%	0.673	S	S	*	*			trans	49	83.3	165.3	53	0	0	0	0	120.1	T149	T147-T149 VanDerWaalsContact C-N 3.27Å; T147-T149 PolarHBondContact O-N 3.28Å; T147-T149 PolarHBondContact O-OG1 3.4Å
148	T	25.5	Very low	25.8	Very low	136 Å²	136	115.4 Å²	115.4	83%	0.834	67%	0.667	S	S	*	*	S	Bend		53.3	-8.1	128.4	43.2	0	0	0	0	122.9
149	T	28.4	Very low	25.9	Very low	105 Å²	105	110.4 Å²	110.4	64%	0.644	65%	0.646	S	S	*	*			trans	-92.6	-9	-176.4	54.1	0	0	0	0	114.3	T147 N151 T152	T147-T149 VanDerWaalsContact C-N 3.27Å; T147-T149 PolarHBondContact O-N 3.28Å; T147-T149 PolarHBondContact O-OG1 3.4Å; T149-N151 VanDerWaalsContact C-N 3.35Å; T149-N151 PolarHBondContact O-N 3.18Å; T149-T152 PolarHBondContact O-OG1 3.1Å
150	T	29.9	Very low	26.2	Very low	68 Å²	68	108.1 Å²	108.1	42%	0.417	63%	0.627	S	S	.	*	H	α-helix	trans	-77.8	-8.7	-168.4	55.8	0	0	0	0	115.8	T153 K154	T150-T153 WeakPolarHBondContact CA-OG1 3.4Å; T150-T153 PolarHBondContact O-OG1 2.74Å; T150-T153 VanDerWaalsContact O-OG1 3.08Å; T150-K154 WeakPolarHBondContact O-CB 3.43Å; T150-K154 VanDerWaalsContact O-CG 3.24Å; T150-K154 WeakPolarHBondContact O-CG 3.42Å; T150-K154 PolarHBondContact O-N 3.19Å; T150-K154 VanDerWaalsContact O-N 3.12Å
151	N	28	Very low	26.3	Very low	114 Å²	114	107 Å²	107	61%	0.61	62%	0.619	S	S	*	*	H	α-helix	trans	-81.1	-34.4	-176.1	-73.5	-12.6	0	0	0	113.2	T149 L155	T149-N151 VanDerWaalsContact C-N 3.35Å; T149-N151 PolarHBondContact O-N 3.18Å; N151-L155 PolarHBondContact O-N 2.81Å; N151-L155 VanDerWaalsContact O-N 3.12Å
152	T	26.8	Very low	26.5	Very low	95 Å²	95	103.5 Å²	103.5	58%	0.583	60%	0.601	S	S	*	*	H	α-helix	trans	-73.2	-38.2	174.8	48	0	0	0	0	111.5	T149 L155 N156	T149-T152 PolarHBondContact O-OG1 3.1Å; T152-L155 PolarHBondContact O-N 3.13Å; T152-N156 WeakPolarHBondContact O-CB 3.44Å; T152-N156 PolarHBondContact O-N 2.87Å
153	T	30.3	Very low	26.7	Very low	81 Å²	81	101.7 Å²	101.7	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-64.9	-41.9	173.1	51.8	0	0	0	0	111.4	T150 L155 N156 T157	T150-T153 WeakPolarHBondContact CA-OG1 3.4Å; T150-T153 PolarHBondContact O-OG1 2.74Å; T150-T153 VanDerWaalsContact O-OG1 3.08Å; T153-L155 PolarHBondContact O-N 2.86Å; T153-N156 PolarHBondContact O-N 3.34Å; T153-T157 WeakPolarHBondContact O-CG2 3.2Å; T153-T157 PolarHBondContact O-N 3.38Å; T153-T157 PolarHBondContact O-OG1 2.74Å
154	K	28.4	Very low	27.1	Very low	135 Å²	135	98.5 Å²	98.5	59%	0.587	57%	0.565	S	S	*	*	H	α-helix	trans	-59.3	-45.2	173.7	-79.3	173.6	-179.9	179	0	113.2	T150 T157 F158	T150-K154 WeakPolarHBondContact O-CB 3.43Å; T150-K154 VanDerWaalsContact O-CG 3.24Å; T150-K154 WeakPolarHBondContact O-CG 3.42Å; T150-K154 PolarHBondContact O-N 3.19Å; T150-K154 VanDerWaalsContact O-N 3.12Å; K154-T157 WeakPolarHBondContact CA-OG1 3.4Å; K154-T157 PolarHBondContact O-N 2.97Å; K154-T157 PolarHBondContact O-OG1 2.83Å; K154-F158 WeakPolarHBondContact O-CB 3.23Å; K154-F158 PolarHBondContact O-N 3.47Å
155	L	27.1	Very low	27.4	Very low	93 Å²	93	94.3 Å²	94.3	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-40.7	174.9	-93.8	162.6	0	0	0	112.4	N151 T152 T153 F158 S159	N151-L155 PolarHBondContact O-N 2.81Å; N151-L155 VanDerWaalsContact O-N 3.12Å; T152-L155 PolarHBondContact O-N 3.13Å; T153-L155 PolarHBondContact O-N 2.86Å; L155-F158 PolarHBondContact O-N 2.87Å; L155-S159 PolarHBondContact O-N 2.83Å
156	N	27.7	Very low	27.8	Very low	103 Å²	103	94 Å²	94	55%	0.551	54%	0.544	S	S	*	.	H	α-helix	trans	-67.8	-38.4	175.2	-73.1	-11.3	0	0	0	112.3	T152 T153 F158 S159 T160	T152-N156 WeakPolarHBondContact O-CB 3.44Å; T152-N156 PolarHBondContact O-N 2.87Å; T153-N156 PolarHBondContact O-N 3.34Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 PolarHBondContact O-N 3.47Å; N156-S159 PolarHBondContact O-N 3.14Å; N156-S159 PolarHBondContact O-OG 3.33Å; N156-T160 WeakPolarHBondContact O-CG2 3.34Å; N156-T160 PolarHBondContact O-N 3.41Å; N156-T160 PolarHBondContact O-OG1 2.97Å; N156-T160 VanDerWaalsContact O-OG1 3.09Å
157	T	28.7	Very low	28.3	Very low	88 Å²	88	90.6 Å²	90.6	54%	0.54	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-32.1	173.2	50.8	0	0	0	0	112.1	T153 K154 T160 S161	T153-T157 WeakPolarHBondContact O-CG2 3.2Å; T153-T157 PolarHBondContact O-N 3.38Å; T153-T157 PolarHBondContact O-OG1 2.74Å; K154-T157 WeakPolarHBondContact CA-OG1 3.4Å; K154-T157 PolarHBondContact O-N 2.97Å; K154-T157 PolarHBondContact O-OG1 2.83Å; T157-T160 WeakPolarHBondContact CA-OG1 3.43Å; T157-T160 PolarHBondContact O-OG1 3.47Å; T157-T160 VanDerWaalsContact O-OG1 3.06Å; T157-S161 VanDerWaalsContact O-CB 3.28Å; T157-S161 WeakPolarHBondContact O-CB 3.31Å; T157-S161 PolarHBondContact O-N 3.45Å
158	F	26.5	Very low	28.6	Very low	122 Å²	122	90.1 Å²	90.1	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-72.7	-39.7	175.6	-163.3	-98.5	0	0	0	111.8	K154 L155 N156 S161 L162	K154-F158 WeakPolarHBondContact O-CB 3.23Å; K154-F158 PolarHBondContact O-N 3.47Å; L155-F158 PolarHBondContact O-N 2.87Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 PolarHBondContact O-N 3.47Å; F158-S161 WeakPolarHBondContact O-CB 3.41Å; F158-S161 PolarHBondContact O-N 3.34Å; F158-L162 HydrophobicContact CD1-CD1 3.85Å; F158-L162 HydrophobicContact CE1-CD1 3.59Å; F158-L162 HydrophobicContact CG-CD1 4.49Å; F158-L162 HydrophobicContact CZ-CD1 4.04Å; F158-L162 VanDerWaalsContact O-CD1 3.3Å; F158-L162 WeakPolarHBondContact O-CD1 3.26Å; F158-L162 PolarHBondContact O-N 3.47Å
159	S	26.6	Very low	29	Very low	58 Å²	58	88.7 Å²	88.7	41%	0.406	50%	0.499	S	S	.	.	H	α-helix	trans	-67.2	-42.3	172.8	68.6	0	0	0	0	111.9	L155 N156 S161 L162 T163	L155-S159 PolarHBondContact O-N 2.83Å; N156-S159 PolarHBondContact O-N 3.14Å; N156-S159 PolarHBondContact O-OG 3.33Å; S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 2.77Å; S159-L162 PolarHBondContact O-N 2.94Å; S159-T163 WeakPolarHBondContact O-CG2 3.43Å; S159-T163 PolarHBondContact O-N 3.4Å; S159-T163 PolarHBondContact O-OG1 3.14Å
160	T	29.5	Very low	29.3	Very low	79 Å²	79	90.3 Å²	90.3	49%	0.485	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-28.9	173.1	57.2	0	0	0	0	113	N156 T157 T163 S164	N156-T160 WeakPolarHBondContact O-CG2 3.34Å; N156-T160 PolarHBondContact O-N 3.41Å; N156-T160 PolarHBondContact O-OG1 2.97Å; N156-T160 VanDerWaalsContact O-OG1 3.09Å; T157-T160 WeakPolarHBondContact CA-OG1 3.43Å; T157-T160 PolarHBondContact O-OG1 3.47Å; T157-T160 VanDerWaalsContact O-OG1 3.06Å; T160-T163 WeakPolarHBondContact CA-OG1 3.19Å; T160-T163 PolarHBondContact O-N 3.13Å; T160-S164 WeakPolarHBondContact O-CB 3.39Å; T160-S164 PolarHBondContact O-N 2.99Å
161	S	27.8	Very low	29.3	Very low	68 Å²	68	90.5 Å²	90.5	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-49.7	170.9	-172.9	0	0	0	0	110.3	T157 F158 S159 T163 S164	T157-S161 VanDerWaalsContact O-CB 3.28Å; T157-S161 WeakPolarHBondContact O-CB 3.31Å; T157-S161 PolarHBondContact O-N 3.45Å; F158-S161 WeakPolarHBondContact O-CB 3.41Å; F158-S161 PolarHBondContact O-N 3.34Å; S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 2.77Å; S161-T163 VanDerWaalsContact C-N 3.35Å; S161-T163 PolarHBondContact O-N 3.49Å; S161-S164 PolarHBondContact O-N 2.82Å; S161-S164 PolarHBondContact O-OG 3.42Å
162	L	28.1	Very low	29.4	Very low	91 Å²	91	87.6 Å²	87.6	48%	0.476	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-30.8	176.6	-92.7	86.9	0	0	0	113.9	F158 S159	F158-L162 HydrophobicContact CD1-CD1 3.85Å; F158-L162 HydrophobicContact CE1-CD1 3.59Å; F158-L162 HydrophobicContact CG-CD1 4.49Å; F158-L162 HydrophobicContact CZ-CD1 4.04Å; F158-L162 VanDerWaalsContact O-CD1 3.3Å; F158-L162 WeakPolarHBondContact O-CD1 3.26Å; F158-L162 PolarHBondContact O-N 3.47Å; S159-L162 PolarHBondContact O-N 2.94Å
163	T	28.6	Very low	29.8	Very low	76 Å²	76	89.1 Å²	89.1	47%	0.466	48%	0.482	S	S	.	.	H	α-helix	trans	-92.6	1	178.3	65.3	0	0	0	0	113.9	S159 T160 S161 S165 L314	S159-T163 WeakPolarHBondContact O-CG2 3.43Å; S159-T163 PolarHBondContact O-N 3.4Å; S159-T163 PolarHBondContact O-OG1 3.14Å; T160-T163 WeakPolarHBondContact CA-OG1 3.19Å; T160-T163 PolarHBondContact O-N 3.13Å; S161-T163 VanDerWaalsContact C-N 3.35Å; S161-T163 PolarHBondContact O-N 3.49Å; T163-S165 PolarHBondContact O-N 3.04Å; T163-L314 HydrophobicContact CG2-CD1 4.41Å; T163-L314 HydrophobicContact CG2-CD2 3.77Å
164	S	30.3	Very low	29.7	Very low	45 Å²	45	89 Å²	89	32%	0.315	48%	0.482	S	S	.	.			trans	-68.4	113.9	175.9	67.1	0	0	0	0	109.9	T160 S161 L166 S167	T160-S164 WeakPolarHBondContact O-CB 3.39Å; T160-S164 PolarHBondContact O-N 2.99Å; S161-S164 PolarHBondContact O-N 2.82Å; S161-S164 PolarHBondContact O-OG 3.42Å; S164-L166 PolarHBondContact O-N 3.41Å; S164-L166 VanDerWaalsContact O-N 3.13Å; S164-S167 PolarHBondContact O-N 3.01Å; S164-S167 PolarHBondContact O-OG 3.05Å; S164-S167 PolarHBondContact OG-OG 2.68Å
165	S	28.6	Very low	29.8	Very low	83 Å²	83	85 Å²	85	58%	0.58	47%	0.466	S	S	*	.	H	α-helix	trans	-53	-37.7	-178.2	54.7	0	0	0	0	112.2	T163 S167 F168 E169	T163-S165 PolarHBondContact O-N 3.04Å; S165-S167 PolarHBondContact O-N 3.38Å; S165-F168 CarbonylContact O-C 3.55Å; S165-F168 PolarHBondContact O-N 2.82Å; S165-E169 WeakPolarHBondContact O-CG 3.39Å; S165-E169 PolarHBondContact O-N 3.44Å
166	L	31.1	Very low	30	Very low	112 Å²	112	84.9 Å²	84.9	59%	0.586	47%	0.469	S	S	*	.	H	α-helix	trans	-60.4	-28.1	-179.8	-152.8	75.8	0	0	0	114	S164 K170	S164-L166 PolarHBondContact O-N 3.41Å; S164-L166 VanDerWaalsContact O-N 3.13Å; L166-K170 WeakPolarHBondContact O-CG 3.46Å; L166-K170 PolarHBondContact O-N 3.19Å
167	S	32	Very low	30.1	Very low	50 Å²	50	84 Å²	84	35%	0.35	47%	0.468	S	S	.	.	H	α-helix	trans	-76.6	-42	174	69.6	0	0	0	0	111.5	S164 S165 L171	S164-S167 PolarHBondContact O-N 3.01Å; S164-S167 PolarHBondContact O-OG 3.05Å; S164-S167 PolarHBondContact OG-OG 2.68Å; S165-S167 PolarHBondContact O-N 3.38Å; S167-L171 WeakPolarHBondContact O-CB 3.31Å; S167-L171 PolarHBondContact O-N 3.09Å; S167-L171 VanDerWaalsContact O-N 3.15Å
168	F	31.4	Very low	30	Very low	90 Å²	90	84.7 Å²	84.7	40%	0.395	48%	0.476	S	S	.	.	H	α-helix	trans	-67.4	-36.9	175.4	-104	-90.3	0	0	0	112.8	S165 L171 T172 W321	S165-F168 CarbonylContact O-C 3.55Å; S165-F168 PolarHBondContact O-N 2.82Å; F168-L171 PolarHBondContact O-N 2.82Å; F168-T172 WeakPolarHBondContact O-CB 3.45Å; F168-T172 PolarHBondContact O-N 3.2Å; F168-T172 PolarHBondContact O-OG1 2.91Å; F168-W321 HydrophobicContact CE1-CD2 4.36Å; F168-W321 HydrophobicContact CE1-CZ2 4.4Å
169	E	33.2	Very low	30	Very low	106 Å²	106	83.8 Å²	83.8	50%	0.495	48%	0.477	S	S	.	.	H	α-helix	trans	-66.3	-46	176.3	-76.9	-177.7	115.9	0	0	111.5	S165 L171 T172 Q173	S165-E169 WeakPolarHBondContact O-CG 3.39Å; S165-E169 PolarHBondContact O-N 3.44Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 3.4Å; E169-T172 PolarHBondContact O-N 2.94Å; E169-T172 VanDerWaalsContact O-N 3.14Å; E169-Q173 WeakPolarHBondContact O-CG 3.43Å; E169-Q173 PolarHBondContact O-N 3Å
170	K	33.9	Very low	30	Very low	140 Å²	140	88 Å²	88	61%	0.609	49%	0.492	S	S	*	.	H	α-helix	trans	-58.7	-42	174.4	-77	-178.9	176.6	-174.6	0	112.2	L166 T172 Q173 T174	L166-K170 WeakPolarHBondContact O-CG 3.46Å; L166-K170 PolarHBondContact O-N 3.19Å; K170-T172 VanDerWaalsContact C-N 3.35Å; K170-Q173 PolarHBondContact O-N 3.15Å; K170-T174 PolarHBondContact O-N 3.37Å; K170-T174 PolarHBondContact O-OG1 3.46Å; K170-T174 VanDerWaalsContact O-OG1 3.07Å
171	L	30.8	Very low	30.1	Very low	72 Å²	72	86.7 Å²	86.7	38%	0.377	49%	0.486	S	S	.	.	H	α-helix	trans	-69.4	-32.8	177.6	-158.7	152.1	0	0	0	111.9	S167 F168 E169 T174 I175	S167-L171 WeakPolarHBondContact O-CB 3.31Å; S167-L171 PolarHBondContact O-N 3.09Å; S167-L171 VanDerWaalsContact O-N 3.15Å; F168-L171 PolarHBondContact O-N 2.82Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 3.4Å; L171-T174 PolarHBondContact O-OG1 2.86Å; L171-I175 HydrophobicContact CD2-CD1 3.72Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 2.94Å
172	T	31	Very low	30.3	Very low	53 Å²	53	84.7 Å²	84.7	33%	0.325	47%	0.472	S	S	.	.	H	α-helix	trans	-69.6	-41.3	172.8	-56.2	0	0	0	0	111.2	F168 E169 K170 I175 T176	F168-T172 WeakPolarHBondContact O-CB 3.45Å; F168-T172 PolarHBondContact O-N 3.2Å; F168-T172 PolarHBondContact O-OG1 2.91Å; E169-T172 PolarHBondContact O-N 2.94Å; E169-T172 VanDerWaalsContact O-N 3.14Å; K170-T172 VanDerWaalsContact C-N 3.35Å; T172-I175 PolarHBondContact O-N 3.45Å; T172-T176 PolarHBondContact O-N 2.87Å
173	Q	33.7	Very low	30.3	Very low	126 Å²	126	85.9 Å²	85.9	59%	0.589	48%	0.476	S	S	*	.	H	α-helix	trans	-63.8	-45.7	177.4	-74.8	175.3	-6	0	0	112.2	E169 K170 I175 T176 T177	E169-Q173 WeakPolarHBondContact O-CG 3.43Å; E169-Q173 PolarHBondContact O-N 3Å; K170-Q173 PolarHBondContact O-N 3.15Å; Q173-I175 PolarHBondContact O-N 3.14Å; Q173-T176 PolarHBondContact O-N 3.46Å; Q173-T176 PolarHBondContact O-OG1 3.04Å; Q173-T177 PolarHBondContact O-N 3.48Å
174	T	29.5	Very low	30.7	Very low	79 Å²	79	87 Å²	87	49%	0.485	48%	0.48	S	S	.	.	H	α-helix	trans	-67.5	-20.5	176.9	45.9	0	0	0	0	114.1	K170 L171 T177 S182	K170-T174 PolarHBondContact O-N 3.37Å; K170-T174 PolarHBondContact O-OG1 3.46Å; K170-T174 VanDerWaalsContact O-OG1 3.07Å; L171-T174 PolarHBondContact O-OG1 2.86Å; T174-T177 PolarHBondContact O-OG1 3.22Å; T174-S182 PolarHBondContact O-OG 3.38Å
175	I	30.6	Very low	30.9	Very low	52 Å²	52	89.3 Å²	89.3	27%	0.267	49%	0.488	S	S	.	.	H	α-helix	trans	-80.1	-24.8	170.1	-70.5	173.4	0	0	0	112	L171 T172 Q173 F325	L171-I175 HydrophobicContact CD2-CD1 3.72Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 2.94Å; T172-I175 PolarHBondContact O-N 3.45Å; Q173-I175 PolarHBondContact O-N 3.14Å; I175-F325 HydrophobicContact CD1-CE2 4.4Å; I175-F325 HydrophobicContact CG2-CE2 4.32Å
176	T	30.6	Very low	31.3	Very low	89 Å²	89	87.8 Å²	87.8	55%	0.546	47%	0.473	S	S	.	.	H	α-helix	trans	-78.3	-17.4	177.1	55.3	0	0	0	0	114.7	T172 Q173	T172-T176 PolarHBondContact O-N 2.87Å; Q173-T176 PolarHBondContact O-N 3.46Å; Q173-T176 PolarHBondContact O-OG1 3.04Å
177	T	30	Very low	31.7	Very low	86 Å²	86	86.8 Å²	86.8	53%	0.528	47%	0.468	S	S	.	.	S	Bend	trans	-76.8	120.2	171.5	42.2	0	0	0	0	110.7	Q173 T174 D179	Q173-T177 PolarHBondContact O-N 3.48Å; T174-T177 PolarHBondContact O-OG1 3.22Å; T177-D179 VanDerWaalsContact C-N 3.32Å; T177-D179 PolarHBondContact O-N 3.36Å
178	S	26.8	Very low	32.2	Very low	101 Å²	101	88.8 Å²	88.8	71%	0.706	47%	0.474	S	S	*	.			trans	-82.3	63.3	-163.2	64.6	0	0	0	0	114.3
179	D	27	Very low	32.6	Very low	104 Å²	104	89 Å²	89	56%	0.556	48%	0.475	S	S	*	.			trans	-130.3	150.8	-177.1	-174.9	28.9	0	0	0	112.6	T177 S181 S182	T177-D179 VanDerWaalsContact C-N 3.32Å; T177-D179 PolarHBondContact O-N 3.36Å; D179-S181 PolarHBondContact O-N 2.89Å; D179-S181 WeakPolarHBondContact OD2-CB 3.32Å; D179-S181 PolarHBondContact OD2-OG 3.48Å; D179-S182 WeakPolarHBondContact O-CB 3.49Å; D179-S182 PolarHBondContact O-N 3.08Å; D179-S182 PolarHBondContact O-OG 3.4Å
180	M	25.3	Very low	32.8	Very low	147 Å²	147	85.3 Å²	85.3	72%	0.724	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.9	-175.7	-77	-72.9	-74.9	0	0	113	S182 M183	M180-S182 PolarHBondContact O-N 2.8Å; M180-M183 PolarHBondContact O-N 3.5Å; M180-M183 VanDerWaalsContact O-N 3.16Å
181	S	31.2	Very low	33.2	Very low	50 Å²	50	81.3 Å²	81.3	35%	0.35	45%	0.448	S	S	.	.	H	α-helix	trans	-52.2	-32.2	171.3	52.5	0	0	0	0	113.2	D179 M183 N184 N185	D179-S181 PolarHBondContact O-N 2.89Å; D179-S181 WeakPolarHBondContact OD2-CB 3.32Å; D179-S181 PolarHBondContact OD2-OG 3.48Å; S181-M183 VanDerWaalsContact C-N 3.26Å; S181-M183 PolarHBondContact O-N 2.76Å; S181-N184 PolarHBondContact O-N 2.75Å; S181-N184 VanDerWaalsContact O-N 3.14Å; S181-N185 VanDerWaalsContact O-CG 3.32Å; S181-N185 PolarHBondContact O-N 2.93Å; S181-N185 PolarHBondContact O-ND2 2.7Å
182	S	31.8	Very low	33.7	Very low	27 Å²	27	81.5 Å²	81.5	19%	0.189	45%	0.452	C	S	.	.	H	α-helix	trans	-60	-29.3	178.5	-59.1	0	0	0	0	114.3	T174 D179 M180 L186	T174-S182 PolarHBondContact O-OG 3.38Å; D179-S182 WeakPolarHBondContact O-CB 3.49Å; D179-S182 PolarHBondContact O-N 3.08Å; D179-S182 PolarHBondContact O-OG 3.4Å; M180-S182 PolarHBondContact O-N 2.8Å; S182-L186 PolarHBondContact O-N 3.5Å
183	M	29.7	Very low	34.2	Very low	115 Å²	115	81 Å²	81	57%	0.567	45%	0.447	S	S	*	.	H	α-helix	trans	-74.1	-41.3	175.2	-80.9	-102.5	-75.1	0	0	112	M180 S181 L186 I187	M180-M183 PolarHBondContact O-N 3.5Å; M180-M183 VanDerWaalsContact O-N 3.16Å; S181-M183 VanDerWaalsContact C-N 3.26Å; S181-M183 PolarHBondContact O-N 2.76Å; M183-L186 WeakPolarHBondContact O-CB 3.45Å; M183-L186 PolarHBondContact O-N 2.8Å; M183-I187 WeakPolarHBondContact O-CG1 3.43Å; M183-I187 PolarHBondContact O-N 2.91Å; M183-I187 VanDerWaalsContact O-N 3.11Å
184	N	35.8	Very low	34.5	Very low	100 Å²	100	77.8 Å²	77.8	54%	0.535	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-44.2	176.1	-69	-11	0	0	0	110.3	S181 L186 I187 D188	S181-N184 PolarHBondContact O-N 2.75Å; S181-N184 VanDerWaalsContact O-N 3.14Å; N184-L186 PolarHBondContact O-N 3.11Å; N184-L186 VanDerWaalsContact O-N 3.12Å; N184-I187 CarbonylContact O-C 3.57Å; N184-I187 WeakPolarHBondContact O-CA 3.41Å; N184-I187 WeakPolarHBondContact O-CB 3.36Å; N184-I187 PolarHBondContact O-N 3.2Å; N184-D188 PolarHBondContact O-N 3.36Å
185	N	35.5	Very low	35.2	Very low	93 Å²	93	80.1 Å²	80.1	50%	0.497	44%	0.442	S	S	.	.	H	α-helix	trans	-54.7	-32.9	173.6	-67.4	-24.7	0	0	0	113	S181 F189	S181-N185 VanDerWaalsContact O-CG 3.32Å; S181-N185 PolarHBondContact O-N 2.93Å; S181-N185 PolarHBondContact O-ND2 2.7Å; N185-F189 VanDerWaalsContact O-CB 3.25Å; N185-F189 WeakPolarHBondContact O-CB 3.48Å; N185-F189 PolarHBondContact O-N 3.31Å
186	L	36.1	Very low	35.6	Very low	51 Å²	51	80.5 Å²	80.5	27%	0.267	45%	0.447	S	S	.	.	H	α-helix	trans	-76.6	-34.5	176.4	-156.3	79.2	0	0	0	112.7	S182 M183 N184 T190	S182-L186 PolarHBondContact O-N 3.5Å; M183-L186 WeakPolarHBondContact O-CB 3.45Å; M183-L186 PolarHBondContact O-N 2.8Å; N184-L186 PolarHBondContact O-N 3.11Å; N184-L186 VanDerWaalsContact O-N 3.12Å; L186-T190 WeakPolarHBondContact O-CB 3.43Å; L186-T190 WeakPolarHBondContact O-CG2 3.25Å; L186-T190 PolarHBondContact O-N 3.05Å; L186-T190 PolarHBondContact O-OG1 2.85Å
187	I	39.9	Very low	35.9	Very low	91 Å²	91	78.6 Å²	78.6	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-69.8	-41.1	173.1	-65.7	166.8	0	0	0	110.2	M183 N184 T190 T191	M183-I187 WeakPolarHBondContact O-CG1 3.43Å; M183-I187 PolarHBondContact O-N 2.91Å; M183-I187 VanDerWaalsContact O-N 3.11Å; N184-I187 CarbonylContact O-C 3.57Å; N184-I187 WeakPolarHBondContact O-CA 3.41Å; N184-I187 WeakPolarHBondContact O-CB 3.36Å; N184-I187 PolarHBondContact O-N 3.2Å; I187-T190 WeakPolarHBondContact CA-OG1 3.49Å; I187-T190 PolarHBondContact O-N 3.45Å; I187-T190 PolarHBondContact O-OG1 2.94Å; I187-T190 VanDerWaalsContact O-OG1 3.14Å; I187-T191 HydrophobicContact CG2-CG2 4.48Å; I187-T191 WeakPolarHBondContact O-CB 3.23Å; I187-T191 WeakPolarHBondContact O-CG2 3.32Å; I187-T191 PolarHBondContact O-N 3.29Å; I187-T191 PolarHBondContact O-OG1 3.44Å
188	D	42.1	Very low	36.4	Very low	92 Å²	92	80 Å²	80	49%	0.492	43%	0.434	S	S	.	.	H	α-helix	trans	-67.9	-39.8	175.1	-69.5	-33.7	0	0	0	111.5	N184 T191 T192	N184-D188 PolarHBondContact O-N 3.36Å; D188-T191 WeakPolarHBondContact CA-OG1 3.41Å; D188-T191 PolarHBondContact O-OG1 3.01Å; D188-T192 WeakPolarHBondContact O-CB 3.35Å; D188-T192 PolarHBondContact O-N 3.39Å; D188-T192 PolarHBondContact O-OG1 2.71Å
189	F	40.4	Very low	36.9	Very low	94 Å²	94	78.7 Å²	78.7	41%	0.412	42%	0.421	S	S	.	.	H	α-helix	trans	-61.1	-47.7	171.2	178.7	-100	0	0	0	111.9	N185 T192 L193	N185-F189 VanDerWaalsContact O-CB 3.25Å; N185-F189 WeakPolarHBondContact O-CB 3.48Å; N185-F189 PolarHBondContact O-N 3.31Å; F189-T192 PolarHBondContact O-N 3.14Å; F189-L193 HydrophobicContact CE1-CD2 4.46Å; F189-L193 VanDerWaalsContact O-CB 3.31Å; F189-L193 WeakPolarHBondContact O-CB 3.49Å; F189-L193 PolarHBondContact O-N 3.24Å
190	T	38.1	Very low	37.3	Very low	29 Å²	29	78.4 Å²	78.4	18%	0.178	42%	0.419	C	S	.	.	H	α-helix	trans	-70.9	-35.5	-178.1	48.4	0	0	0	0	113.2	L186 I187 S194 F231 F235	L186-T190 WeakPolarHBondContact O-CB 3.43Å; L186-T190 WeakPolarHBondContact O-CG2 3.25Å; L186-T190 PolarHBondContact O-N 3.05Å; L186-T190 PolarHBondContact O-OG1 2.85Å; I187-T190 WeakPolarHBondContact CA-OG1 3.49Å; I187-T190 PolarHBondContact O-N 3.45Å; I187-T190 PolarHBondContact O-OG1 2.94Å; I187-T190 VanDerWaalsContact O-OG1 3.14Å; T190-S194 WeakPolarHBondContact O-CB 3.45Å; T190-S194 PolarHBondContact O-N 2.93Å; T190-F231 HydrophobicContact CG2-CE1 4.35Å; T190-F231 HydrophobicContact CG2-CZ 4.12Å; T190-F235 HydrophobicContact CG2-CE2 3.83Å
191	T	41.3	Very low	37.6	Very low	57 Å²	57	73.1 Å²	73.1	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-70.9	-34	171.2	57.8	0	0	0	0	112.2	I187 D188 S194 K195	I187-T191 HydrophobicContact CG2-CG2 4.48Å; I187-T191 WeakPolarHBondContact O-CB 3.23Å; I187-T191 WeakPolarHBondContact O-CG2 3.32Å; I187-T191 PolarHBondContact O-N 3.29Å; I187-T191 PolarHBondContact O-OG1 3.44Å; D188-T191 WeakPolarHBondContact CA-OG1 3.41Å; D188-T191 PolarHBondContact O-OG1 3.01Å; T191-S194 PolarHBondContact O-N 3.09Å; T191-K195 WeakPolarHBondContact O-CB 3.46Å; T191-K195 WeakPolarHBondContact O-CG 3.29Å; T191-K195 PolarHBondContact O-N 3.14Å
192	T	42.6	Very low	37.8	Very low	75 Å²	75	78.8 Å²	78.8	46%	0.46	42%	0.415	S	S	.	.	H	α-helix	trans	-69.2	-38	172.9	-60.8	0	0	0	0	111.9	D188 F189 K195 T196	D188-T192 WeakPolarHBondContact O-CB 3.35Å; D188-T192 PolarHBondContact O-N 3.39Å; D188-T192 PolarHBondContact O-OG1 2.71Å; F189-T192 PolarHBondContact O-N 3.14Å; T192-K195 PolarHBondContact O-N 3.3Å; T192-T196 WeakPolarHBondContact O-CB 3.5Å; T192-T196 WeakPolarHBondContact O-CG2 3.49Å; T192-T196 PolarHBondContact O-N 3.07Å; T192-T196 PolarHBondContact O-OG1 3.14Å
193	L	40.7	Very low	38	Very low	42 Å²	42	86.5 Å²	86.5	22%	0.22	44%	0.441	C	S	.	.	H	α-helix	trans	-63.8	-46.3	172.3	-167.9	74.2	0	0	0	110.7	F189 T196 I197 L239 I242	F189-L193 HydrophobicContact CE1-CD2 4.46Å; F189-L193 VanDerWaalsContact O-CB 3.31Å; F189-L193 WeakPolarHBondContact O-CB 3.49Å; F189-L193 PolarHBondContact O-N 3.24Å; L193-T196 WeakPolarHBondContact CA-OG1 3.12Å; L193-T196 PolarHBondContact O-N 3.22Å; L193-T196 PolarHBondContact O-OG1 2.83Å; L193-I197 HydrophobicContact CG-CD1 4.03Å; L193-I197 WeakPolarHBondContact O-CD1 2.99Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 2.79Å; L193-L239 HydrophobicContact CD2-CD1 4.03Å; L193-I242 HydrophobicContact CD2-CD1 3.93Å
194	S	39.4	Very low	38.2	Very low	60 Å²	60	85 Å²	85	42%	0.42	44%	0.435	S	S	.	.	H	α-helix	trans	-59.7	-47.4	174.6	-177.4	0	0	0	0	112.1	T190 T191 T196 I197 H198	T190-S194 WeakPolarHBondContact O-CB 3.45Å; T190-S194 PolarHBondContact O-N 2.93Å; T191-S194 PolarHBondContact O-N 3.09Å; S194-T196 PolarHBondContact O-N 3.18Å; S194-I197 PolarHBondContact O-N 2.72Å; S194-H198 WeakPolarHBondContact O-CB 3.27Å; S194-H198 PolarHBondContact O-N 2.84Å
195	K	44.2	Very low	37.8	Very low	127 Å²	127	83.5 Å²	83.5	55%	0.552	42%	0.423	S	S	*	.	H	α-helix	trans	-57.9	-47.8	173.9	-75.6	167.5	-179.2	173.5	0	111.7	T191 T192 I197 H198 T199	T191-K195 WeakPolarHBondContact O-CB 3.46Å; T191-K195 WeakPolarHBondContact O-CG 3.29Å; T191-K195 PolarHBondContact O-N 3.14Å; T192-K195 PolarHBondContact O-N 3.3Å; K195-I197 PolarHBondContact O-N 2.81Å; K195-H198 CarbonylContact O-C 3.53Å; K195-H198 PolarHBondContact O-N 3.28Å; K195-T199 PolarHBondContact O-N 3.47Å; K195-T199 PolarHBondContact O-OG1 3.13Å
196	T	38.6	Very low	37.5	Very low	61 Å²	61	85.1 Å²	85.1	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-67.1	-35	179.9	47.2	0	0	0	0	112.9	T192 L193 S194 T199 L200	T192-T196 WeakPolarHBondContact O-CB 3.5Å; T192-T196 WeakPolarHBondContact O-CG2 3.49Å; T192-T196 PolarHBondContact O-N 3.07Å; T192-T196 PolarHBondContact O-OG1 3.14Å; L193-T196 WeakPolarHBondContact CA-OG1 3.12Å; L193-T196 PolarHBondContact O-N 3.22Å; L193-T196 PolarHBondContact O-OG1 2.83Å; S194-T196 PolarHBondContact O-N 3.18Å; T196-T199 PolarHBondContact O-N 3.28Å; T196-L200 WeakPolarHBondContact O-CB 3.22Å; T196-L200 VanDerWaalsContact O-CG 3.24Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 3.39Å
197	I	37.8	Very low	37.3	Very low	49 Å²	49	90.5 Å²	90.5	25%	0.251	46%	0.463	S	S	.	.	H	α-helix	trans	-65.2	-42.1	170.4	-66.1	160	0	0	0	111	L193 S194 K195 T199 L200 S201 I242	L193-I197 HydrophobicContact CG-CD1 4.03Å; L193-I197 WeakPolarHBondContact O-CD1 2.99Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 2.79Å; S194-I197 PolarHBondContact O-N 2.72Å; K195-I197 PolarHBondContact O-N 2.81Å; I197-T199 VanDerWaalsContact C-N 3.29Å; I197-T199 PolarHBondContact O-N 2.97Å; I197-L200 PolarHBondContact O-N 3.2Å; I197-S201 WeakPolarHBondContact O-CB 3.39Å; I197-S201 PolarHBondContact O-N 3.07Å; I197-S201 PolarHBondContact O-OG 2.77Å; I197-I242 HydrophobicContact CD1-CB 4.35Å; I197-I242 HydrophobicContact CD1-CD1 3.75Å; I197-I242 HydrophobicContact CD1-CG1 3.8Å; I197-I242 HydrophobicContact CD1-CG2 3.62Å; I197-I242 HydrophobicContact CG1-CG2 4.37Å
198	H	39.5	Very low	36.9	Very low	116 Å²	116	89.3 Å²	89.3	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-65.9	-31.5	175.2	-163.8	-52.6	0	0	0	111.9	S194 K195 S201 K202	S194-H198 WeakPolarHBondContact O-CB 3.27Å; S194-H198 PolarHBondContact O-N 2.84Å; K195-H198 CarbonylContact O-C 3.53Å; K195-H198 PolarHBondContact O-N 3.28Å; H198-S201 WeakPolarHBondContact CA-OG 3.45Å; H198-S201 PolarHBondContact O-OG 2.91Å; H198-K202 WeakPolarHBondContact O-CB 3.24Å; H198-K202 PolarHBondContact O-N 3.21Å
199	T	38.8	Very low	36.4	Very low	72 Å²	72	90.5 Å²	90.5	44%	0.442	46%	0.463	S	S	.	.	H	α-helix	trans	-72.5	-49.8	172.6	-59.3	0	0	0	0	111	K195 T196 I197 S201 K202 Y203	K195-T199 PolarHBondContact O-N 3.47Å; K195-T199 PolarHBondContact O-OG1 3.13Å; T196-T199 PolarHBondContact O-N 3.28Å; I197-T199 VanDerWaalsContact C-N 3.29Å; I197-T199 PolarHBondContact O-N 2.97Å; T199-S201 VanDerWaalsContact C-N 3.28Å; T199-S201 PolarHBondContact O-N 3.1Å; T199-K202 WeakPolarHBondContact O-CA 3.4Å; T199-K202 WeakPolarHBondContact O-CB 3.34Å; T199-K202 PolarHBondContact O-N 2.95Å; T199-Y203 HydrophobicContact CG2-CD2 3.62Å; T199-Y203 HydrophobicContact CG2-CE2 3.78Å; T199-Y203 WeakPolarHBondContact O-CD2 3.09Å; T199-Y203 PolarHBondContact O-N 3.33Å
200	L	34	Very low	36.1	Very low	98 Å²	98	94.3 Å²	94.3	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-59.1	-36.8	179	-74.3	166.5	0	0	0	112.7	T196 I197	T196-L200 WeakPolarHBondContact O-CB 3.22Å; T196-L200 VanDerWaalsContact O-CG 3.24Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 3.39Å; I197-L200 PolarHBondContact O-N 3.2Å
201	S	32.4	Very low	35.8	Very low	37 Å²	37	101.1 Å²	101.1	26%	0.259	51%	0.51	S	S	.	.	H	α-helix	trans	-74.2	-25.1	173.1	55.4	0	0	0	0	113.8	I197 H198 T199 Y205	I197-S201 WeakPolarHBondContact O-CB 3.39Å; I197-S201 PolarHBondContact O-N 3.07Å; I197-S201 PolarHBondContact O-OG 2.77Å; H198-S201 WeakPolarHBondContact CA-OG 3.45Å; H198-S201 PolarHBondContact O-OG 2.91Å; T199-S201 VanDerWaalsContact C-N 3.28Å; T199-S201 PolarHBondContact O-N 3.1Å; S201-Y205 WeakPolarHBondContact O-CD2 3.45Å
202	K	35.2	Very low	35.4	Very low	169 Å²	169	103.4 Å²	103.4	74%	0.735	52%	0.516	S	S	*	.	H	α-helix	trans	-76.9	-29.6	172.7	-158	176.4	-175.2	-174.8	0	112.6	H198 T199	H198-K202 WeakPolarHBondContact O-CB 3.24Å; H198-K202 PolarHBondContact O-N 3.21Å; T199-K202 WeakPolarHBondContact O-CA 3.4Å; T199-K202 WeakPolarHBondContact O-CB 3.34Å; T199-K202 PolarHBondContact O-N 2.95Å
203	Y	36	Very low	35	Very low	189 Å²	189	102.1 Å²	102.1	74%	0.741	51%	0.506	S	S	*	.	H	α-helix	trans	-94.2	-4.2	-173	-87	-84.1	0	0	0	116.6	T199	T199-Y203 HydrophobicContact CG2-CD2 3.62Å; T199-Y203 HydrophobicContact CG2-CE2 3.78Å; T199-Y203 WeakPolarHBondContact O-CD2 3.09Å; T199-Y203 PolarHBondContact O-N 3.33Å
204	N	32.9	Very low	34.6	Very low	83 Å²	83	102.9 Å²	102.9	44%	0.444	52%	0.515	S	S	.	.	S	Bend	trans	-119.5	-0.7	-176.5	-99.9	-60.6	0	0	0	116.2	Q253	N204-Q253 PolarHBondContact OD1-NE2 2.86Å
205	Y	28.7	Very low	34.2	Very low	69 Å²	69	104.8 Å²	104.8	27%	0.271	52%	0.521	S	S	.	.			trans	-120.4	56.6	-167.5	-59.6	-38	0	0	0	115	S201 K207 L208 L213	S201-Y205 WeakPolarHBondContact O-CD2 3.45Å; Y205-K207 VanDerWaalsContact C-N 3.26Å; Y205-L208 HydrophobicContact CD1-CB 4.14Å; Y205-L208 HydrophobicContact CD1-CD1 3.37Å; Y205-L208 HydrophobicContact CD1-CG 4.38Å; Y205-L208 HydrophobicContact CE1-CD1 3.44Å; Y205-L208 VanDerWaalsContact CE1-CD1 3.44Å; Y205-L208 HydrophobicContact CG-CB 4.29Å; Y205-L208 HydrophobicContact CG-CD1 4.08Å; Y205-L213 HydrophobicContact CD2-CD1 3.8Å; Y205-L213 HydrophobicContact CE2-CD1 4.39Å
206	S	27.9	Very low	33.6	Very low	127 Å²	127	102.2 Å²	102.2	89%	0.888	52%	0.515	S	S	*	.	S	Bend	trans	-82.2	1.9	166.2	56.3	0	0	0	0	114.2
207	K	33.8	Very low	33.2	Very low	164 Å²	164	105.1 Å²	105.1	71%	0.713	52%	0.523	S	S	*	.	S	Bend	trans	-138.6	13.4	-172.2	-127.7	179.2	-173.1	179.7	0	114.5	Y205	Y205-K207 VanDerWaalsContact C-N 3.26Å
208	L	30.7	Very low	33	Very low	65 Å²	65	108.2 Å²	108.2	34%	0.34	54%	0.536	S	S	.	.	S	Bend	trans	-116.3	121.2	-174.5	-132.5	163	0	0	0	108.6	Y205 E210 Q212	Y205-L208 HydrophobicContact CD1-CB 4.14Å; Y205-L208 HydrophobicContact CD1-CD1 3.37Å; Y205-L208 HydrophobicContact CD1-CG 4.38Å; Y205-L208 HydrophobicContact CE1-CD1 3.44Å; Y205-L208 VanDerWaalsContact CE1-CD1 3.44Å; Y205-L208 HydrophobicContact CG-CB 4.29Å; Y205-L208 HydrophobicContact CG-CD1 4.08Å; L208-E210 PolarHBondContact O-N 3.39Å; L208-Q212 HydrophobicContact CD2-CB 3.45Å; L208-Q212 VanDerWaalsContact CD2-CB 3.45Å; L208-Q212 HydrophobicContact CD2-CG 4.21Å
209	N	32.2	Very low	32.5	Very low	117 Å²	117	105.5 Å²	105.5	63%	0.626	53%	0.53	S	S	*	.			trans	-53.3	137.8	-172.5	-76.3	-22.4	0	0	0	111.6	K211 Q212 L213	N209-K211 PolarHBondContact O-N 3.24Å; N209-Q212 WeakPolarHBondContact O-CA 3.38Å; N209-Q212 WeakPolarHBondContact O-CB 3.33Å; N209-Q212 PolarHBondContact O-N 2.85Å; N209-L213 PolarHBondContact O-N 3.46Å
210	E	32.5	Very low	32	Very low	174 Å²	174	105.2 Å²	105.2	81%	0.813	53%	0.525	S	S	*	.	H	α-helix	trans	-52.6	-35	-178.3	-62.9	-169.7	124.1	0	0	112.7	L208 Q212 L213 S214	L208-E210 PolarHBondContact O-N 3.39Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 3.01Å; E210-L213 PolarHBondContact O-N 2.92Å; E210-S214 WeakPolarHBondContact O-CB 3.45Å; E210-S214 PolarHBondContact O-N 3.42Å
211	K	32.8	Very low	31.7	Very low	173 Å²	173	104.1 Å²	104.1	75%	0.752	53%	0.526	S	S	*	.	H	α-helix	trans	-61	-32.5	176.5	-146	167.2	-169.4	169.3	0	113.3	N209 N215	N209-K211 PolarHBondContact O-N 3.24Å; K211-N215 PolarHBondContact O-N 3.23Å; K211-N215 PolarHBondContact O-ND2 3.49Å; K211-N215 PolarHBondContact O-OD1 3.34Å
212	Q	33.6	Very low	31.6	Very low	104 Å²	104	106.5 Å²	106.5	49%	0.486	54%	0.535	S	S	.	.	H	α-helix	trans	-81.9	-39.8	175.3	-68.2	176.2	-69.9	0	0	111.5	L208 N209 E210 S214 N215 V216	L208-Q212 HydrophobicContact CD2-CB 3.45Å; L208-Q212 VanDerWaalsContact CD2-CB 3.45Å; L208-Q212 HydrophobicContact CD2-CG 4.21Å; N209-Q212 WeakPolarHBondContact O-CA 3.38Å; N209-Q212 WeakPolarHBondContact O-CB 3.33Å; N209-Q212 PolarHBondContact O-N 2.85Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 3.01Å; Q212-S214 VanDerWaalsContact C-N 3.31Å; Q212-S214 PolarHBondContact O-N 2.89Å; Q212-N215 PolarHBondContact O-N 2.96Å; Q212-V216 WeakPolarHBondContact O-CG2 3.43Å; Q212-V216 PolarHBondContact O-N 3.27Å; Q212-V216 VanDerWaalsContact O-N 3.1Å
213	L	33.2	Very low	31.4	Very low	48 Å²	48	101.3 Å²	101.3	25%	0.251	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-36.8	174.5	-173.6	60.6	0	0	0	111.9	Y205 N209 E210 V216 K217	Y205-L213 HydrophobicContact CD2-CD1 3.8Å; Y205-L213 HydrophobicContact CE2-CD1 4.39Å; N209-L213 PolarHBondContact O-N 3.46Å; E210-L213 PolarHBondContact O-N 2.92Å; L213-V216 PolarHBondContact O-N 2.95Å; L213-K217 WeakPolarHBondContact O-CG 3.48Å; L213-K217 PolarHBondContact O-N 3.46Å
214	S	32.6	Very low	31.1	Very low	59 Å²	59	97.3 Å²	97.3	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-60.4	-51.8	171.8	178.7	0	0	0	0	111.4	E210 Q212 V216 K217 H218	E210-S214 WeakPolarHBondContact O-CB 3.45Å; E210-S214 PolarHBondContact O-N 3.42Å; Q212-S214 VanDerWaalsContact C-N 3.31Å; Q212-S214 PolarHBondContact O-N 2.89Å; S214-V216 VanDerWaalsContact C-N 3.26Å; S214-V216 PolarHBondContact O-N 3.48Å; S214-K217 PolarHBondContact O-N 3.37Å; S214-K217 VanDerWaalsContact O-N 3.09Å; S214-H218 PolarHBondContact O-N 3.49Å
215	N	30.7	Very low	30.9	Very low	100 Å²	100	101.2 Å²	101.2	54%	0.535	52%	0.516	S	S	.	.	H	α-helix	trans	-56.9	-38.7	177.2	-71.2	-9.8	0	0	0	112.6	K211 Q212 S219	K211-N215 PolarHBondContact O-N 3.23Å; K211-N215 PolarHBondContact O-ND2 3.49Å; K211-N215 PolarHBondContact O-OD1 3.34Å; Q212-N215 PolarHBondContact O-N 2.96Å; N215-S219 WeakPolarHBondContact O-CB 3.38Å; N215-S219 PolarHBondContact O-N 2.87Å; N215-S219 PolarHBondContact O-OG 3.5Å
216	V	31.5	Very low	31	Very low	72 Å²	72	103.6 Å²	103.6	44%	0.436	53%	0.533	S	S	.	.	H	α-helix	trans	-69.1	-43.5	175.9	172.9	0	0	0	0	111.4	Q212 L213 S214 S219 I220	Q212-V216 WeakPolarHBondContact O-CG2 3.43Å; Q212-V216 PolarHBondContact O-N 3.27Å; Q212-V216 VanDerWaalsContact O-N 3.1Å; L213-V216 PolarHBondContact O-N 2.95Å; S214-V216 VanDerWaalsContact C-N 3.26Å; S214-V216 PolarHBondContact O-N 3.48Å; V216-S219 PolarHBondContact O-N 2.81Å; V216-I220 HydrophobicContact CG1-CD1 3.82Å; V216-I220 WeakPolarHBondContact O-CG1 3.33Å; V216-I220 PolarHBondContact O-N 3.41Å; V216-I220 VanDerWaalsContact O-N 3.07Å
217	K	31.3	Very low	31.1	Very low	123 Å²	123	101.3 Å²	101.3	54%	0.535	51%	0.511	S	S	.	.	H	α-helix	trans	-60.1	-47.9	175.1	-77.5	179.3	175.9	-177.9	0	112.2	L213 S214 I220 S221	L213-K217 WeakPolarHBondContact O-CG 3.48Å; L213-K217 PolarHBondContact O-N 3.46Å; S214-K217 PolarHBondContact O-N 3.37Å; S214-K217 VanDerWaalsContact O-N 3.09Å; K217-I220 PolarHBondContact O-N 2.85Å; K217-S221 PolarHBondContact O-N 2.89Å; K217-S221 PolarHBondContact O-OG 2.94Å
218	H	32	Very low	30.8	Very low	113 Å²	113	103.5 Å²	103.5	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-58.8	-50.5	176.1	-116	-68.6	0	0	0	111.2	S214 I220 S221 D222	S214-H218 PolarHBondContact O-N 3.49Å; H218-I220 PolarHBondContact O-N 3.44Å; H218-I220 VanDerWaalsContact O-N 3.11Å; H218-S221 PolarHBondContact O-N 3.47Å; H218-D222 IonicContact CE1-OD2 3.77Å; H218-D222 IonicContact CG-OD2 2.65Å; H218-D222 IonicContact ND1-OD1 3.7Å; H218-D222 PolarHBondContact ND1-OD1 2.87Å; H218-D222 IonicContact ND1-OD2 2.78Å; H218-D222 PolarHBondContact ND1-OD2 2.82Å; H218-D222 WeakPolarHBondContact O-CB 3.36Å; H218-D222 PolarHBondContact O-N 3.26Å
219	S	28.6	Very low	30.7	Very low	60 Å²	60	105.8 Å²	105.8	42%	0.42	54%	0.537	S	S	.	.	H	α-helix	trans	-57.3	-30.6	178.8	-57.6	0	0	0	0	113.4	N215 V216 E223	N215-S219 WeakPolarHBondContact O-CB 3.38Å; N215-S219 PolarHBondContact O-N 2.87Å; N215-S219 PolarHBondContact O-OG 3.5Å; V216-S219 PolarHBondContact O-N 2.81Å; S219-E223 WeakPolarHBondContact O-CB 3.3Å; S219-E223 VanDerWaalsContact O-CG 3.25Å; S219-E223 WeakPolarHBondContact O-CG 3.42Å
220	I	29	Very low	30.6	Very low	66 Å²	66	103.5 Å²	103.5	34%	0.338	53%	0.525	S	S	.	.	H	α-helix	trans	-82.9	-46.2	177.5	-67.4	169	0	0	0	111.1	V216 K217 H218 F224	V216-I220 HydrophobicContact CG1-CD1 3.82Å; V216-I220 WeakPolarHBondContact O-CG1 3.33Å; V216-I220 PolarHBondContact O-N 3.41Å; V216-I220 VanDerWaalsContact O-N 3.07Å; K217-I220 PolarHBondContact O-N 2.85Å; H218-I220 PolarHBondContact O-N 3.44Å; H218-I220 VanDerWaalsContact O-N 3.11Å; I220-F224 HydrophobicContact CG2-CD2 4.25Å; I220-F224 WeakPolarHBondContact O-CD2 3.38Å; I220-F224 PolarHBondContact O-N 3.41Å
221	S	28.4	Very low	30.6	Very low	74 Å²	74	98.3 Å²	98.3	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-62.3	-45	178.6	-73	0	0	0	0	112.5	K217 H218 F224 Q225	K217-S221 PolarHBondContact O-N 2.89Å; K217-S221 PolarHBondContact O-OG 2.94Å; H218-S221 PolarHBondContact O-N 3.47Å; S221-F224 PolarHBondContact O-N 3.31Å; S221-Q225 WeakPolarHBondContact O-CG 3.39Å; S221-Q225 PolarHBondContact O-N 2.88Å
222	D	29.1	Very low	30.4	Very low	87 Å²	87	95.4 Å²	95.4	47%	0.465	49%	0.492	S	S	.	.	H	α-helix	trans	-72.9	-33.6	-174	-58.1	-23	0	0	0	111.5	H218 F224	H218-D222 IonicContact CE1-OD2 3.77Å; H218-D222 IonicContact CG-OD2 2.65Å; H218-D222 IonicContact ND1-OD1 3.7Å; H218-D222 PolarHBondContact ND1-OD1 2.87Å; H218-D222 IonicContact ND1-OD2 2.78Å; H218-D222 PolarHBondContact ND1-OD2 2.82Å; H218-D222 WeakPolarHBondContact O-CB 3.36Å; H218-D222 PolarHBondContact O-N 3.26Å; D222-F224 VanDerWaalsContact C-N 3.34Å
223	E	31.8	Very low	30.3	Very low	60 Å²	60	93.7 Å²	93.7	28%	0.28	49%	0.491	S	S	.	.	H	α-helix	trans	-76.9	-17.2	176.8	-69.4	-174.4	163.1	0	0	113.6	S219 Y238 R241	S219-E223 WeakPolarHBondContact O-CB 3.3Å; S219-E223 VanDerWaalsContact O-CG 3.25Å; S219-E223 WeakPolarHBondContact O-CG 3.42Å; E223-Y238 HydrophobicContact CB-CE1 4.4Å; E223-Y238 WeakPolarHBondContact O-CE1 3.3Å; E223-Y238 PolarHBondContact O-OH 3.45Å; E223-R241 IonicContact OE1-CZ 2.93Å; E223-R241 IonicContact OE1-NH1 3.71Å; E223-R241 PolarHBondContact OE1-NH1 2.87Å; E223-R241 IonicContact OE1-NH2 3.15Å; E223-R241 PolarHBondContact OE1-NH2 3.2Å; E223-R241 IonicContact OE2-CZ 2.67Å; E223-R241 IonicContact OE2-NH1 3.81Å; E223-R241 PolarHBondContact OE2-NH1 3.36Å; E223-R241 IonicContact OE2-NH2 3.48Å; E223-R241 PolarHBondContact OE2-NH2 3.45Å
224	F	29.3	Very low	30.4	Very low	106 Å²	106	94 Å²	94	47%	0.465	49%	0.493	S	S	.	.	H	α-helix	trans	-91.3	-11.4	174.7	-95	-88.9	0	0	0	114.4	I220 S221 D222 L226 F231	I220-F224 HydrophobicContact CG2-CD2 4.25Å; I220-F224 WeakPolarHBondContact O-CD2 3.38Å; I220-F224 PolarHBondContact O-N 3.41Å; S221-F224 PolarHBondContact O-N 3.31Å; D222-F224 VanDerWaalsContact C-N 3.34Å; F224-L226 VanDerWaalsContact C-N 3.26Å; F224-L226 PolarHBondContact O-N 3.23Å; F224-F231 HydrophobicContact CE1-CE2 4.43Å
225	Q	30.1	Very low	30.7	Very low	165 Å²	165	92.8 Å²	92.8	77%	0.771	48%	0.48	S	S	*	.	S	Bend	trans	-76.4	-9.1	175.7	-76.3	-81.1	-12.4	0	0	113.7	S221 D227	S221-Q225 WeakPolarHBondContact O-CG 3.39Å; S221-Q225 PolarHBondContact O-N 2.88Å; Q225-D227 PolarHBondContact O-N 2.87Å
226	L	30.8	Very low	31	Very low	118 Å²	118	89.3 Å²	89.3	62%	0.618	46%	0.464	S	S	*	.	S	Bend	trans	-85.2	94	-172.9	-87.7	154.2	0	0	0	113.5	F224	F224-L226 VanDerWaalsContact C-N 3.26Å; F224-L226 PolarHBondContact O-N 3.23Å
227	D	28.5	Very low	31.5	Very low	80 Å²	80	91 Å²	91	43%	0.428	46%	0.463	S	S	.	.			trans	54.6	99.7	153.4	-172.1	4.5	0	0	0	117	Q225 T229 N230	Q225-D227 PolarHBondContact O-N 2.87Å; D227-T229 PolarHBondContact O-N 3.35Å; D227-T229 WeakPolarHBondContact OD1-CB 3.48Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.31Å; D227-T229 PolarHBondContact OD1-N 3.38Å; D227-T229 PolarHBondContact OD1-OG1 2.98Å; D227-T229 PolarHBondContact OD2-OG1 3.03Å; D227-N230 PolarHBondContact O-N 3.33Å; D227-N230 PolarHBondContact OD2-ND2 3.18Å; D227-N230 VanDerWaalsContact OD2-ND2 3.08Å
228	K	28.8	Very low	32	Very low	210 Å²	210	86.4 Å²	86.4	91%	0.913	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-52.2	-24.4	175.3	-74.1	-176.3	175.5	179.7	0	114.1	N230	K228-N230 VanDerWaalsContact C-N 3.25Å; K228-N230 PolarHBondContact O-N 2.81Å
229	T	28.2	Very low	32.4	Very low	113 Å²	113	82.3 Å²	82.3	69%	0.693	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-71.1	-20.3	178.9	71.1	0	0	0	0	113.3	D227	D227-T229 PolarHBondContact O-N 3.35Å; D227-T229 WeakPolarHBondContact OD1-CB 3.48Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.31Å; D227-T229 PolarHBondContact OD1-N 3.38Å; D227-T229 PolarHBondContact OD1-OG1 2.98Å; D227-T229 PolarHBondContact OD2-OG1 3.03Å
230	N	30.5	Very low	33.2	Very low	69 Å²	69	82.6 Å²	82.6	37%	0.369	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-111	10.3	-175.7	-79	-74.1	0	0	0	114.2	D227 K228 L232 S233 N234	D227-N230 PolarHBondContact O-N 3.33Å; D227-N230 PolarHBondContact OD2-ND2 3.18Å; D227-N230 VanDerWaalsContact OD2-ND2 3.08Å; K228-N230 VanDerWaalsContact C-N 3.25Å; K228-N230 PolarHBondContact O-N 2.81Å; N230-L232 PolarHBondContact O-N 2.88Å; N230-S233 PolarHBondContact O-N 3.46Å; N230-S233 PolarHBondContact O-OG 3.41Å; N230-S233 PolarHBondContact OD1-OG 2.78Å; N230-N234 WeakPolarHBondContact O-CB 3.5Å; N230-N234 PolarHBondContact O-N 3.18Å; N230-N234 VanDerWaalsContact O-N 3.08Å; N230-N234 PolarHBondContact O-ND2 2.74Å
231	F	31	Very low	33.8	Very low	65 Å²	65	82.8 Å²	82.8	29%	0.285	41%	0.413	S	S	.	.	H	α-helix	trans	-60.3	-43.8	-179.8	-172.5	-101.4	0	0	0	112.4	T190 F224 S233 N234 F235	T190-F231 HydrophobicContact CG2-CE1 4.35Å; T190-F231 HydrophobicContact CG2-CZ 4.12Å; F224-F231 HydrophobicContact CE1-CE2 4.43Å; F231-S233 PolarHBondContact O-N 2.81Å; F231-N234 PolarHBondContact O-N 3.04Å; F231-F235 AromaticContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CE2 4.49Å; F231-F235 AromaticContact CZ-CD2 3.94Å; F231-F235 HydrophobicContact CZ-CD2 3.94Å; F231-F235 HydrophobicContact CZ-CE2 4.5Å; F231-F235 WeakPolarHBondContact O-CA 3.48Å; F231-F235 WeakPolarHBondContact O-CB 3.35Å; F231-F235 PolarHBondContact O-N 3.25Å
232	L	30	Very low	34.3	Very low	111 Å²	111	81.2 Å²	81.2	58%	0.581	40%	0.398	S	S	*	.	H	α-helix	trans	-68.7	-31.1	-179.9	-70.5	172.8	0	0	0	113.7	N230	N230-L232 PolarHBondContact O-N 2.88Å
233	S	31.5	Very low	34.7	Very low	69 Å²	69	80.5 Å²	80.5	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-76.6	-31.3	176.5	55.4	0	0	0	0	112.1	N230 F231	N230-S233 PolarHBondContact O-N 3.46Å; N230-S233 PolarHBondContact O-OG 3.41Å; N230-S233 PolarHBondContact OD1-OG 2.78Å; F231-S233 PolarHBondContact O-N 2.81Å
234	N	35.6	Very low	35	Very low	54 Å²	54	78.5 Å²	78.5	29%	0.289	39%	0.387	S	S	.	.	H	α-helix	trans	-95	-11.3	-180	-68.1	-32.9	0	0	0	114.4	N230 F231 P236 Y237 Y238	N230-N234 WeakPolarHBondContact O-CB 3.5Å; N230-N234 PolarHBondContact O-N 3.18Å; N230-N234 VanDerWaalsContact O-N 3.08Å; N230-N234 PolarHBondContact O-ND2 2.74Å; F231-N234 PolarHBondContact O-N 3.04Å; N234-P236 VanDerWaalsContact C-CD 3.42Å; N234-P236 VanDerWaalsContact C-N 3.34Å; N234-Y237 WeakPolarHBondContact O-CA 3.45Å; N234-Y237 VanDerWaalsContact O-CB 3.29Å; N234-Y237 WeakPolarHBondContact O-CB 3.2Å; N234-Y237 PolarHBondContact O-N 2.83Å; N234-Y238 HydrophobicContact CB-CD2 3.89Å; N234-Y238 HydrophobicContact CB-CE2 3.46Å; N234-Y238 VanDerWaalsContact CB-CE2 3.46Å; N234-Y238 VanDerWaalsContact O-CD2 3.3Å; N234-Y238 WeakPolarHBondContact O-CD2 3.42Å; N234-Y238 PolarHBondContact O-N 3.47Å; N234-Y238 VanDerWaalsContact O-N 3.11Å
235	F	37.9	Very low	35.5	Very low	33 Å²	33	77 Å²	77	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-48.9	-42.6	-178.4	-178.2	-103.5	0	0	0	114.5	T190 F231 Y237 Y238 L239	T190-F235 HydrophobicContact CG2-CE2 3.83Å; F231-F235 AromaticContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CE2 4.49Å; F231-F235 AromaticContact CZ-CD2 3.94Å; F231-F235 HydrophobicContact CZ-CD2 3.94Å; F231-F235 HydrophobicContact CZ-CE2 4.5Å; F231-F235 WeakPolarHBondContact O-CA 3.48Å; F231-F235 WeakPolarHBondContact O-CB 3.35Å; F231-F235 PolarHBondContact O-N 3.25Å; F235-Y237 VanDerWaalsContact C-N 3.29Å; F235-Y237 PolarHBondContact O-N 2.86Å; F235-Y238 PolarHBondContact O-N 2.89Å; F235-L239 HydrophobicContact CZ-CD1 4.16Å; F235-L239 WeakPolarHBondContact O-CB 3.39Å; F235-L239 PolarHBondContact O-N 3.48Å
236	P	37.8	Very low	35.7	Very low	28 Å²	28	71.8 Å²	71.8	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-31.8	176	-21.6	34.2	0	0	0	113.6	N234 Y240 Y322	N234-P236 VanDerWaalsContact C-CD 3.42Å; N234-P236 VanDerWaalsContact C-N 3.34Å; P236-Y240 VanDerWaalsContact O-CB 3.24Å; P236-Y240 WeakPolarHBondContact O-CB 3.29Å; P236-Y240 PolarHBondContact O-N 3.32Å; P236-Y322 HydrophobicContact CG-CD1 4.42Å; P236-Y322 HydrophobicContact CG-CD2 4.07Å; P236-Y322 HydrophobicContact CG-CE1 3.89Å; P236-Y322 HydrophobicContact CG-CE2 3.48Å; P236-Y322 VanDerWaalsContact CG-CE2 3.48Å
237	Y	41	Very low	35.9	Very low	108 Å²	108	70.4 Å²	70.4	42%	0.424	36%	0.358	S	S	.	.	H	α-helix	trans	-70.7	-44.2	176.6	178.4	-93.9	0	0	0	111.2	N234 F235 Y240 R241	N234-Y237 WeakPolarHBondContact O-CA 3.45Å; N234-Y237 VanDerWaalsContact O-CB 3.29Å; N234-Y237 WeakPolarHBondContact O-CB 3.2Å; N234-Y237 PolarHBondContact O-N 2.83Å; F235-Y237 VanDerWaalsContact C-N 3.29Å; F235-Y237 PolarHBondContact O-N 2.86Å; Y237-Y240 PolarHBondContact O-N 2.8Å; Y237-R241 HydrophobicContact CD1-CG 4.31Å; Y237-R241 HydrophobicContact CE1-CG 3.9Å; Y237-R241 WeakPolarHBondContact O-CG 3.41Å; Y237-R241 PolarHBondContact O-N 3.2Å; Y237-R241 PolarHBondContact OH-NE 2.83Å; Y237-R241 PolarHBondContact OH-NH2 2.72Å
238	Y	42.6	Very low	36.2	Very low	25 Å²	25	70.4 Å²	70.4	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-43.9	175.1	-67.3	-63.4	0	0	0	111.8	E223 N234 F235 Y240 R241 I242	E223-Y238 HydrophobicContact CB-CE1 4.4Å; E223-Y238 WeakPolarHBondContact O-CE1 3.3Å; E223-Y238 PolarHBondContact O-OH 3.45Å; N234-Y238 HydrophobicContact CB-CD2 3.89Å; N234-Y238 HydrophobicContact CB-CE2 3.46Å; N234-Y238 VanDerWaalsContact CB-CE2 3.46Å; N234-Y238 VanDerWaalsContact O-CD2 3.3Å; N234-Y238 WeakPolarHBondContact O-CD2 3.42Å; N234-Y238 PolarHBondContact O-N 3.47Å; N234-Y238 VanDerWaalsContact O-N 3.11Å; F235-Y238 PolarHBondContact O-N 2.89Å; Y238-Y240 PolarHBondContact O-N 3.29Å; Y238-R241 WeakPolarHBondContact O-CB 3.37Å; Y238-R241 PolarHBondContact O-N 2.83Å; Y238-I242 VanDerWaalsContact O-CG1 3.3Å; Y238-I242 WeakPolarHBondContact O-CG1 3.43Å; Y238-I242 PolarHBondContact O-N 3.39Å
239	L	40.4	Very low	36.4	Very low	28 Å²	28	62.7 Å²	62.7	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-39.9	176.9	-152.7	78.5	0	0	0	111.6	L193 F235 I242 L243 F318	L193-L239 HydrophobicContact CD2-CD1 4.03Å; F235-L239 HydrophobicContact CZ-CD1 4.16Å; F235-L239 WeakPolarHBondContact O-CB 3.39Å; F235-L239 PolarHBondContact O-N 3.48Å; L239-I242 PolarHBondContact O-N 2.4Å; L239-L243 HydrophobicContact CD2-CD1 4.44Å; L239-L243 HydrophobicContact CG-CD1 4.29Å; L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 3.32Å; L239-F318 HydrophobicContact CD2-CD2 4.44Å; L239-F318 HydrophobicContact CD2-CE2 3.5Å; L239-F318 HydrophobicContact CD2-CZ 3.62Å
240	Y	44.9	Very low	36.8	Very low	65 Å²	65	59.5 Å²	59.5	26%	0.255	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-42.3	172.2	172.7	-92.2	0	0	0	112.6	P236 Y237 Y238 I242 L243 S244 Y506	P236-Y240 VanDerWaalsContact O-CB 3.24Å; P236-Y240 WeakPolarHBondContact O-CB 3.29Å; P236-Y240 PolarHBondContact O-N 3.32Å; Y237-Y240 PolarHBondContact O-N 2.8Å; Y238-Y240 PolarHBondContact O-N 3.29Å; Y240-I242 PolarHBondContact O-N 2.67Å; Y240-L243 PolarHBondContact O-N 2.94Å; Y240-S244 WeakPolarHBondContact O-CB 3.45Å; Y240-S244 PolarHBondContact O-N 2.92Å; Y240-S244 PolarHBondContact O-OG 3.27Å; Y240-Y506 AromaticContact CE2-CD1 3.92Å; Y240-Y506 HydrophobicContact CE2-CD1 3.92Å; Y240-Y506 HydrophobicContact CE2-CD2 4.06Å; Y240-Y506 HydrophobicContact CE2-CE1 4.02Å; Y240-Y506 HydrophobicContact CE2-CE2 4.15Å; Y240-Y506 AromaticContact CE2-CG 3.95Å; Y240-Y506 HydrophobicContact CE2-CG 3.95Å
241	R	42.8	Very low	37.1	Very low	71 Å²	71	60 Å²	60	27%	0.268	31%	0.312	S	S	.	.	H	α-helix	trans	-56.8	-49.4	173.3	-83	-73	-162.6	105.6	11.3	110.7	E223 Y237 Y238 S244 I245	E223-R241 IonicContact OE1-CZ 2.93Å; E223-R241 IonicContact OE1-NH1 3.71Å; E223-R241 PolarHBondContact OE1-NH1 2.87Å; E223-R241 IonicContact OE1-NH2 3.15Å; E223-R241 PolarHBondContact OE1-NH2 3.2Å; E223-R241 IonicContact OE2-CZ 2.67Å; E223-R241 IonicContact OE2-NH1 3.81Å; E223-R241 PolarHBondContact OE2-NH1 3.36Å; E223-R241 IonicContact OE2-NH2 3.48Å; E223-R241 PolarHBondContact OE2-NH2 3.45Å; Y237-R241 HydrophobicContact CD1-CG 4.31Å; Y237-R241 HydrophobicContact CE1-CG 3.9Å; Y237-R241 WeakPolarHBondContact O-CG 3.41Å; Y237-R241 PolarHBondContact O-N 3.2Å; Y237-R241 PolarHBondContact OH-NE 2.83Å; Y237-R241 PolarHBondContact OH-NH2 2.72Å; Y238-R241 WeakPolarHBondContact O-CB 3.37Å; Y238-R241 PolarHBondContact O-N 2.83Å; R241-S244 PolarHBondContact O-N 3.07Å; R241-S244 PolarHBondContact O-OG 3.03Å; R241-I245 WeakPolarHBondContact O-CG1 3.33Å; R241-I245 PolarHBondContact O-N 3.36Å
242	I	38.9	Very low	37.2	Very low	40 Å²	40	62 Å²	62	21%	0.205	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-51	178	-68.3	165.8	0	0	0	111.1	L193 I197 Y238 L239 Y240 S244 I245 S246	L193-I242 HydrophobicContact CD2-CD1 3.93Å; I197-I242 HydrophobicContact CD1-CB 4.35Å; I197-I242 HydrophobicContact CD1-CD1 3.75Å; I197-I242 HydrophobicContact CD1-CG1 3.8Å; I197-I242 HydrophobicContact CD1-CG2 3.62Å; I197-I242 HydrophobicContact CG1-CG2 4.37Å; Y238-I242 VanDerWaalsContact O-CG1 3.3Å; Y238-I242 WeakPolarHBondContact O-CG1 3.43Å; Y238-I242 PolarHBondContact O-N 3.39Å; L239-I242 PolarHBondContact O-N 2.4Å; Y240-I242 PolarHBondContact O-N 2.67Å; I242-S244 VanDerWaalsContact C-N 3.34Å; I242-S244 PolarHBondContact O-N 2.52Å; I242-I245 PolarHBondContact O-N 3.24Å; I242-S246 PolarHBondContact O-N 3.28Å; I242-S246 PolarHBondContact O-OG 3.32Å
243	L	37.3	Very low	37.5	Very low	73 Å²	73	60.4 Å²	60.4	38%	0.382	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-36.2	-179.3	-71.6	169.2	0	0	0	112.9	L239 Y240 S246 N247	L239-L243 HydrophobicContact CD2-CD1 4.44Å; L239-L243 HydrophobicContact CG-CD1 4.29Å; L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 3.32Å; Y240-L243 PolarHBondContact O-N 2.94Å; L243-S246 VanDerWaalsContact CA-OG 3.31Å; L243-S246 WeakPolarHBondContact CA-OG 3.37Å; L243-S246 PolarHBondContact O-N 3.33Å; L243-S246 PolarHBondContact O-OG 3.36Å; L243-N247 WeakPolarHBondContact O-CB 3.34Å; L243-N247 VanDerWaalsContact O-CG 3.3Å; L243-N247 PolarHBondContact O-N 3.02Å; L243-N247 VanDerWaalsContact O-N 3.08Å; L243-N247 PolarHBondContact O-ND2 3.44Å
244	S	38	Very low	38.1	Very low	18 Å²	18	62.8 Å²	62.8	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-68.9	-39.8	174.9	61.4	0	0	0	0	112.2	Y240 R241 I242 N247 I248	Y240-S244 WeakPolarHBondContact O-CB 3.45Å; Y240-S244 PolarHBondContact O-N 2.92Å; Y240-S244 PolarHBondContact O-OG 3.27Å; R241-S244 PolarHBondContact O-N 3.07Å; R241-S244 PolarHBondContact O-OG 3.03Å; I242-S244 VanDerWaalsContact C-N 3.34Å; I242-S244 PolarHBondContact O-N 2.52Å; S244-N247 PolarHBondContact O-N 3.21Å; S244-I248 WeakPolarHBondContact O-CB 3.47Å; S244-I248 WeakPolarHBondContact O-CD1 3.49Å; S244-I248 WeakPolarHBondContact O-CG1 3.48Å; S244-I248 PolarHBondContact O-N 3.15Å
245	I	38.1	Very low	38.4	Very low	74 Å²	74	66.2 Å²	66.2	38%	0.379	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-44.7	173.4	-68.2	163.9	0	0	0	110.6	R241 I242 N247 I248 I249	R241-I245 WeakPolarHBondContact O-CG1 3.33Å; R241-I245 PolarHBondContact O-N 3.36Å; I242-I245 PolarHBondContact O-N 3.24Å; I245-N247 PolarHBondContact O-N 3.36Å; I245-I248 PolarHBondContact O-N 2.86Å; I245-I249 HydrophobicContact CG2-CD1 4Å; I245-I249 WeakPolarHBondContact O-CG1 3.34Å; I245-I249 PolarHBondContact O-N 3.19Å; I245-I249 VanDerWaalsContact O-N 3.12Å
246	S	34.4	Very low	38.6	Very low	55 Å²	55	68.7 Å²	68.7	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-67.6	-19.9	177.2	55.3	0	0	0	0	114.3	I242 L243 P250	I242-S246 PolarHBondContact O-N 3.28Å; I242-S246 PolarHBondContact O-OG 3.32Å; L243-S246 VanDerWaalsContact CA-OG 3.31Å; L243-S246 WeakPolarHBondContact CA-OG 3.37Å; L243-S246 PolarHBondContact O-N 3.33Å; L243-S246 PolarHBondContact O-OG 3.36Å; S246-P250 WeakPolarHBondContact O-CD 3.38Å; S246-P250 WeakPolarHBondContact O-CG 3.38Å
247	N	36	Very low	39.1	Very low	89 Å²	89	72.9 Å²	72.9	48%	0.476	36%	0.36	S	S	.	.	H	α-helix	trans	-88.7	-24.8	172.6	-72.8	-13.6	0	0	0	113.1	L243 S244 I245 T251	L243-N247 WeakPolarHBondContact O-CB 3.34Å; L243-N247 VanDerWaalsContact O-CG 3.3Å; L243-N247 PolarHBondContact O-N 3.02Å; L243-N247 VanDerWaalsContact O-N 3.08Å; L243-N247 PolarHBondContact O-ND2 3.44Å; S244-N247 PolarHBondContact O-N 3.21Å; I245-N247 PolarHBondContact O-N 3.36Å; N247-T251 PolarHBondContact O-OG1 3.24Å; N247-T251 VanDerWaalsContact O-OG1 3.07Å
248	I	34.3	Very low	39.5	Very low	80 Å²	80	72.4 Å²	72.4	41%	0.41	36%	0.362	S	S	.	.	H	α-helix	trans	-75.7	-34.3	175.4	-72.2	163.3	0	0	0	111.6	S244 I245 T251 I252	S244-I248 WeakPolarHBondContact O-CB 3.47Å; S244-I248 WeakPolarHBondContact O-CD1 3.49Å; S244-I248 WeakPolarHBondContact O-CG1 3.48Å; S244-I248 PolarHBondContact O-N 3.15Å; I245-I248 PolarHBondContact O-N 2.86Å; I248-T251 WeakPolarHBondContact CA-OG1 3.49Å; I248-T251 PolarHBondContact O-N 2.75Å; I248-T251 PolarHBondContact O-OG1 3.49Å; I248-I252 HydrophobicContact CG2-CD1 3.56Å; I248-I252 HydrophobicContact CG2-CG1 4.18Å; I248-I252 WeakPolarHBondContact O-CG1 3.3Å; I248-I252 PolarHBondContact O-N 2.9Å
249	I	32.7	Very low	39.8	Very low	49 Å²	49	75.6 Å²	75.6	25%	0.251	38%	0.378	S	S	.	.	H	α-helix	trans	-61.6	-49.2	-179.3	-70.2	163.5	0	0	0	112.6	I245 T251 I252 Q253	I245-I249 HydrophobicContact CG2-CD1 4Å; I245-I249 WeakPolarHBondContact O-CG1 3.34Å; I245-I249 PolarHBondContact O-N 3.19Å; I245-I249 VanDerWaalsContact O-N 3.12Å; I249-T251 PolarHBondContact O-N 3.37Å; I249-I252 PolarHBondContact O-N 3.35Å; I249-Q253 WeakPolarHBondContact O-CG 3.17Å; I249-Q253 PolarHBondContact O-N 3.1Å
250	P	37.2	Very low	40.4	Very low	46 Å²	46	77.9 Å²	77.9	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-38.7	176.5	-26.5	35.2	0	0	0	114	S246 Q253 Q254	S246-P250 WeakPolarHBondContact O-CD 3.38Å; S246-P250 WeakPolarHBondContact O-CG 3.38Å; P250-Q253 PolarHBondContact O-N 3.19Å; P250-Q254 WeakPolarHBondContact O-CG 3.29Å; P250-Q254 PolarHBondContact O-N 2.77Å
251	T	36.1	Very low	41.2	Very low	78 Å²	78	79.3 Å²	79.3	48%	0.479	40%	0.396	S	S	.	.	H	α-helix	trans	-69.4	-39.2	179.7	35.8	0	0	0	0	111.8	N247 I248 I249 H255	N247-T251 PolarHBondContact O-OG1 3.24Å; N247-T251 VanDerWaalsContact O-OG1 3.07Å; I248-T251 WeakPolarHBondContact CA-OG1 3.49Å; I248-T251 PolarHBondContact O-N 2.75Å; I248-T251 PolarHBondContact O-OG1 3.49Å; I249-T251 PolarHBondContact O-N 3.37Å; T251-H255 WeakPolarHBondContact O-CB 3.21Å; T251-H255 PolarHBondContact O-N 2.96Å
252	I	33.5	Very low	41.7	Very low	108 Å²	108	80.3 Å²	80.3	55%	0.554	40%	0.404	S	S	*	.	H	α-helix	trans	-63.9	-43.8	171.1	-67.7	173.8	0	0	0	111.1	I248 I249 H255 H256	I248-I252 HydrophobicContact CG2-CD1 3.56Å; I248-I252 HydrophobicContact CG2-CG1 4.18Å; I248-I252 WeakPolarHBondContact O-CG1 3.3Å; I248-I252 PolarHBondContact O-N 2.9Å; I249-I252 PolarHBondContact O-N 3.35Å; I252-H255 PolarHBondContact O-N 3.14Å; I252-H256 WeakPolarHBondContact O-CB 3.28Å; I252-H256 PolarHBondContact O-N 2.85Å
253	Q	36.4	Very low	42.3	Very low	78 Å²	78	83 Å²	83	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-44.6	178.9	-76.9	-179.4	-23.8	0	0	112.2	N204 I249 P250 H256 H257	N204-Q253 PolarHBondContact OD1-NE2 2.86Å; I249-Q253 WeakPolarHBondContact O-CG 3.17Å; I249-Q253 PolarHBondContact O-N 3.1Å; P250-Q253 PolarHBondContact O-N 3.19Å; Q253-H256 PolarHBondContact O-N 2.75Å; Q253-H257 WeakPolarHBondContact O-CB 3.38Å; Q253-H257 PolarHBondContact O-N 3.38Å
254	Q	44.2	Very low	43.1	Very low	118 Å²	118	85.3 Å²	85.3	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-62	-46.6	174.7	-75.1	-178.7	-8.2	0	0	111.9	P250 H256 H257 H258	P250-Q254 WeakPolarHBondContact O-CG 3.29Å; P250-Q254 PolarHBondContact O-N 2.77Å; Q254-H256 VanDerWaalsContact C-N 3.32Å; Q254-H256 PolarHBondContact O-N 2.97Å; Q254-H257 PolarHBondContact O-N 3.29Å; Q254-H258 PolarHBondContact O-N 2.98Å
255	H	42	Very low	43.8	Very low	126 Å²	126	90.7 Å²	90.7	58%	0.583	45%	0.448	S	S	*	.	H	α-helix	trans	-63.6	-38.5	-179.4	-161.3	-28.7	0	0	0	112.1	T251 I252 Q259	T251-H255 WeakPolarHBondContact O-CB 3.21Å; T251-H255 PolarHBondContact O-N 2.96Å; I252-H255 PolarHBondContact O-N 3.14Å; H255-Q259 PolarHBondContact O-N 3.41Å; H255-Q259 VanDerWaalsContact O-N 3.09Å
256	H	42.6	Very low	44.1	Very low	86 Å²	86	93.5 Å²	93.5	40%	0.398	46%	0.459	S	S	.	.	H	α-helix	trans	-71.8	-36.8	176.7	-164.3	-6.2	0	0	0	112.3	I252 Q253 Q254 H258 Q259 Q260	I252-H256 WeakPolarHBondContact O-CB 3.28Å; I252-H256 PolarHBondContact O-N 2.85Å; Q253-H256 PolarHBondContact O-N 2.75Å; Q254-H256 VanDerWaalsContact C-N 3.32Å; Q254-H256 PolarHBondContact O-N 2.97Å; H256-H258 VanDerWaalsContact C-N 3.34Å; H256-Q259 PolarHBondContact O-N 2.78Å; H256-Q260 PolarHBondContact CE1-NE2 3.29Å; H256-Q260 VanDerWaalsContact CE1-NE2 3.35Å; H256-Q260 PolarHBondContact ND1-NE2 3.27Å; H256-Q260 WeakPolarHBondContact O-CG 3.44Å; H256-Q260 PolarHBondContact O-N 3.16Å
257	H	48.3	Very low	44.7	Very low	115 Å²	115	98.4 Å²	98.4	53%	0.532	47%	0.469	S	S	.	.	H	α-helix	trans	-66.2	-37.4	175.3	-163.6	-26.4	0	0	0	111.6	Q253 Q254 Q260 Q261	Q253-H257 WeakPolarHBondContact O-CB 3.38Å; Q253-H257 PolarHBondContact O-N 3.38Å; Q254-H257 PolarHBondContact O-N 3.29Å; H257-Q260 PolarHBondContact O-N 2.9Å; H257-Q261 WeakPolarHBondContact O-CG 3.25Å; H257-Q261 PolarHBondContact O-N 2.91Å
258	H	48.9	Very low	45.3	Very low	98 Å²	98	102.3 Å²	102.3	45%	0.454	49%	0.485	S	S	.	.	H	α-helix	trans	-70.6	-38.6	177.5	-156.3	51.3	0	0	0	112.2	Q254 H256 Q260 Q261 Q262	Q254-H258 PolarHBondContact O-N 2.98Å; H256-H258 VanDerWaalsContact C-N 3.34Å; H258-Q260 VanDerWaalsContact C-N 3.33Å; H258-Q260 PolarHBondContact O-N 3.08Å; H258-Q261 PolarHBondContact ND1-OE1 2.92Å; H258-Q261 PolarHBondContact O-N 3.39Å; H258-Q262 WeakPolarHBondContact O-CG 3.46Å; H258-Q262 PolarHBondContact O-N 2.89Å
259	Q	48.2	Very low	45.7	Very low	92 Å²	92	108.5 Å²	108.5	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-59.3	-40.6	168.9	-82.5	-175.2	-26.6	0	0	112.5	H255 H256 Q261 Q262 Q263	H255-Q259 PolarHBondContact O-N 3.41Å; H255-Q259 VanDerWaalsContact O-N 3.09Å; H256-Q259 PolarHBondContact O-N 2.78Å; Q259-Q261 VanDerWaalsContact C-N 3.32Å; Q259-Q261 PolarHBondContact O-N 2.85Å; Q259-Q262 PolarHBondContact O-N 3.25Å; Q259-Q263 WeakPolarHBondContact O-CB 3.39Å; Q259-Q263 WeakPolarHBondContact O-CG 3.38Å; Q259-Q263 PolarHBondContact O-N 3.29Å
260	Q	54.6	Low	45.6	Very low	77 Å²	77	116.1 Å²	116.1	36%	0.36	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-34.4	176.7	-72.8	176.6	43.9	0	0	112.4	H256 H257 H258 H264	H256-Q260 PolarHBondContact CE1-NE2 3.29Å; H256-Q260 VanDerWaalsContact CE1-NE2 3.35Å; H256-Q260 PolarHBondContact ND1-NE2 3.27Å; H256-Q260 WeakPolarHBondContact O-CG 3.44Å; H256-Q260 PolarHBondContact O-N 3.16Å; H257-Q260 PolarHBondContact O-N 2.9Å; H258-Q260 VanDerWaalsContact C-N 3.33Å; H258-Q260 PolarHBondContact O-N 3.08Å; Q260-H264 PolarHBondContact O-CD2 3.03Å; Q260-H264 PolarHBondContact O-N 2.93Å; Q260-H264 VanDerWaalsContact O-N 3.08Å
261	Q	60	Low	45.3	Very low	94 Å²	94	121.8 Å²	121.8	44%	0.439	56%	0.558	S	S	.	*	H	α-helix	trans	-66.6	-46.6	173.4	-73.7	170.8	-24.1	0	0	111.8	H257 H258 Q259 H264 Q265	H257-Q261 WeakPolarHBondContact O-CG 3.25Å; H257-Q261 PolarHBondContact O-N 2.91Å; H258-Q261 PolarHBondContact ND1-OE1 2.92Å; H258-Q261 PolarHBondContact O-N 3.39Å; Q259-Q261 VanDerWaalsContact C-N 3.32Å; Q259-Q261 PolarHBondContact O-N 2.85Å; Q261-H264 PolarHBondContact O-N 3.24Å; Q261-H264 VanDerWaalsContact O-N 3.08Å; Q261-Q265 PolarHBondContact O-N 2.91Å
262	Q	53.7	Low	45.2	Very low	92 Å²	92	123.8 Å²	123.8	43%	0.43	57%	0.572	S	S	.	*	H	α-helix	trans	-58.9	-48.8	175.9	-70.3	171.4	-8.3	0	0	111.1	H258 Q259 H264 Q265 E266	H258-Q262 WeakPolarHBondContact O-CG 3.46Å; H258-Q262 PolarHBondContact O-N 2.89Å; Q259-Q262 PolarHBondContact O-N 3.25Å; Q262-H264 PolarHBondContact O-N 2.85Å; Q262-H264 VanDerWaalsContact O-N 3.16Å; Q262-Q265 PolarHBondContact O-N 3.26Å; Q262-Q265 VanDerWaalsContact O-N 3.14Å; Q262-E266 WeakPolarHBondContact O-CG 3.49Å; Q262-E266 PolarHBondContact O-N 3.42Å
263	Q	52	Low	45.1	Very low	97 Å²	97	123.6 Å²	123.6	45%	0.453	58%	0.58	S	S	.	*	H	α-helix	trans	-64.6	-16.7	175.4	-71.8	-178.9	-2.3	0	0	114.4	Q259 R267	Q259-Q263 WeakPolarHBondContact O-CB 3.39Å; Q259-Q263 WeakPolarHBondContact O-CG 3.38Å; Q259-Q263 PolarHBondContact O-N 3.29Å; Q263-R267 WeakPolarHBondContact O-CB 3.46Å; Q263-R267 WeakPolarHBondContact O-CG 3.33Å; Q263-R267 PolarHBondContact O-NE 3.23Å; Q263-R267 PolarHBondContact O-NH2 3.29Å
264	H	54.6	Low	44.9	Very low	122 Å²	122	125.3 Å²	125.3	57%	0.565	60%	0.601	S	S	*	*	H	α-helix	trans	-85.6	-38.9	171.6	-99.2	-67.1	0	0	0	111.9	Q260 Q261 Q262 R267 Q268	Q260-H264 PolarHBondContact O-CD2 3.03Å; Q260-H264 PolarHBondContact O-N 2.93Å; Q260-H264 VanDerWaalsContact O-N 3.08Å; Q261-H264 PolarHBondContact O-N 3.24Å; Q261-H264 VanDerWaalsContact O-N 3.08Å; Q262-H264 PolarHBondContact O-N 2.85Å; Q262-H264 VanDerWaalsContact O-N 3.16Å; H264-R267 PolarHBondContact O-N 3.37Å; H264-Q268 PolarHBondContact O-N 3.43Å
265	Q	51.5	Low	44.2	Very low	130 Å²	130	124.6 Å²	124.6	61%	0.607	61%	0.609	S	S	*	*	H	α-helix	trans	-63.4	-47.9	173.8	-70.8	176.8	-20.8	0	0	111	Q261 Q262 R267 Q268 Y269	Q261-Q265 PolarHBondContact O-N 2.91Å; Q262-Q265 PolarHBondContact O-N 3.26Å; Q262-Q265 VanDerWaalsContact O-N 3.14Å; Q265-R267 PolarHBondContact O-N 2.97Å; Q265-Q268 PolarHBondContact O-N 3.02Å; Q265-Q268 VanDerWaalsContact O-N 3.12Å; Q265-Y269 WeakPolarHBondContact O-CD2 3.43Å
266	E	45.1	Very low	43.5	Very low	133 Å²	133	123.2 Å²	123.2	62%	0.621	61%	0.613	S	S	*	*	H	α-helix	trans	-58.4	-33.2	176.2	-70.4	-179.2	150.2	0	0	113.2	Q262	Q262-E266 WeakPolarHBondContact O-CG 3.49Å; Q262-E266 PolarHBondContact O-N 3.42Å
267	R	46.3	Very low	42.8	Very low	159 Å²	159	124.5 Å²	124.5	60%	0.6	63%	0.632	S	S	*	*	H	α-helix	trans	-78.8	-13.9	179.3	-86.4	-176.2	-75.4	-168.4	-4.6	114.8	Q263 H264 Q265	Q263-R267 WeakPolarHBondContact O-CB 3.46Å; Q263-R267 WeakPolarHBondContact O-CG 3.33Å; Q263-R267 PolarHBondContact O-NE 3.23Å; Q263-R267 PolarHBondContact O-NH2 3.29Å; H264-R267 PolarHBondContact O-N 3.37Å; Q265-R267 PolarHBondContact O-N 2.97Å
268	Q	49.1	Very low	41.9	Very low	171 Å²	171	125.3 Å²	125.3	80%	0.799	65%	0.645	S	S	*	*	H	α-helix	trans	-88	-10.9	172.7	-72	-165.1	-29.8	0	0	113.6	H264 Q265	H264-Q268 PolarHBondContact O-N 3.43Å; Q265-Q268 PolarHBondContact O-N 3.02Å; Q265-Q268 VanDerWaalsContact O-N 3.12Å
269	Y	42.7	Very low	40.7	Very low	209 Å²	209	131 Å²	131	82%	0.82	66%	0.664	S	S	*	*	S	Bend	trans	-104.3	17.7	179.1	-73.9	-75.7	0	0	0	114.7	Q265	Q265-Y269 WeakPolarHBondContact O-CD2 3.43Å
270	R	30.9	Very low	39.9	Very low	210 Å²	210	131.2 Å²	131.2	79%	0.792	67%	0.674	S	S	*	*			trans	-138.7	102.7	174	-67	-168.5	-173.3	-142.8	4.2	113.3
271	N	31	Very low	38.4	Very low	165 Å²	165	134.6 Å²	134.6	88%	0.882	69%	0.694	S	S	*	*			trans	-159.9	157.2	145.4	-100.4	-23.6	0	0	0	109.8
272	P	34.4	Very low	36.8	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	71%	0.707	S	S	*	*			trans	-128.9	166	-134.8	40.9	-27.4	0	0	0	116.5
273	S	30.3	Very low	35.4	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	72%	0.719	S	S	*	*			trans	-156.7	133	171.8	55.7	0	0	0	0	112.9
274	S	32	Very low	34	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	73%	0.734	S	S	*	*			trans	56.7	151.5	162.4	52.9	0	0	0	0	119.7
275	S	29.3	Very low	32.5	Very low	103 Å²	103	142.2 Å²	142.2	72%	0.72	75%	0.748	S	S	*	*			cis	-168.5	168.2	-25.3	53.3	0	0	0	0	109.6
276	S	28.3	Very low	31.1	Very low	96 Å²	96	142.7 Å²	142.7	67%	0.671	76%	0.755	S	S	*	*			trans	57.5	115.2	153.6	54.2	0	0	0	0	121.6
277	S	27.8	Very low	30	Very low	113 Å²	113	143.4 Å²	143.4	79%	0.79	76%	0.761	S	S	*	*			trans	67.1	136	130.7	68.7	0	0	0	0	120.4
278	T	28.6	Very low	28.8	Very low	133 Å²	133	139.9 Å²	139.9	82%	0.816	76%	0.761	S	S	*	*			cis	-145.1	154.4	8.1	-49.7	0	0	0	0	112.2
279	Y	24.2	Very low	27.5	Very low	216 Å²	216	140.6 Å²	140.6	85%	0.847	76%	0.758	S	S	*	*			trans	-70.7	-177.1	174	-70.9	-79.3	0	0	0	114.9
280	P	30.7	Very low	26.4	Very low	97 Å²	97	135.7 Å²	135.7	63%	0.63	75%	0.754	S	S	*	*			cis	-137.5	169.3	-18.7	19.9	4.4	0	0	0	116.7
281	L	24.3	Very low	26	Very low	149 Å²	149	130.9 Å²	130.9	78%	0.78	74%	0.743	S	S	*	*			trans	64.6	151.9	152.4	-63	154.7	0	0	0	117.2
282	Q	26.4	Very low	25.6	Very low	153 Å²	153	130.2 Å²	130.2	72%	0.715	74%	0.739	S	S	*	*			cis	-149.9	145.8	6.4	-141.6	160.6	17.9	0	0	112.4
283	N	23.6	Very low	24.9	Very low	128 Å²	128	133.1 Å²	133.1	68%	0.684	74%	0.739	S	S	*	*			trans	60.7	85	156.3	-63.1	-12.3	0	0	0	122.5
284	N	23.1	Very low	24.5	Very low	142 Å²	142	133 Å²	133	76%	0.759	74%	0.736	S	S	*	*				78.1	138.7	121.6	-65.1	-14.5	0	0	0	124
285	T	23.5	Very low	23.9	Very low	142 Å²	142	132.9 Å²	132.9	87%	0.871	73%	0.734	S	S	*	*			trans	68.4	34.9	160.3	50.1	0	0	0	0	119
286	N	21.1	Very low	23.6	Very low	140 Å²	140	134.2 Å²	134.2	75%	0.749	73%	0.731	S	S	*	*			trans	-63.8	131.5	131.6	-92.2	-36.5	0	0	0	109.3
287	I	23.4	Very low	23.3	Very low	148 Å²	148	138.7 Å²	138.7	76%	0.759	74%	0.739	S	S	*	*				-163.9	78.7	128.7	-91.4	153.1	0	0	0	106	Y289	I287-Y289 HydrophobicContact CG2-CD2 3.7Å; I287-Y289 HydrophobicContact CG2-CE2 4.24Å; I287-Y289 PolarHBondContact O-N 3.33Å
288	S	20.5	Very low	23.1	Very low	84 Å²	84	140.9 Å²	140.9	59%	0.587	74%	0.735	S	S	*	*			trans	-75.6	98.3	162.1	35.2	0	0	0	0	108.2	S290	S288-S290 PolarHBondContact O-N 2.91Å; S288-S290 PolarHBondContact O-OG 3.44Å
289	Y	22	Very low	22.9	Very low	187 Å²	187	140.8 Å²	140.8	73%	0.733	74%	0.736	S	S	*	*			trans	-75.9	55.4	167.3	-110	-79.9	0	0	0	111.4	I287 L291	I287-Y289 HydrophobicContact CG2-CD2 3.7Å; I287-Y289 HydrophobicContact CG2-CE2 4.24Å; I287-Y289 PolarHBondContact O-N 3.33Å; Y289-L291 HydrophobicContact CD1-CB 3.92Å; Y289-L291 HydrophobicContact CD1-CD1 4.37Å; Y289-L291 HydrophobicContact CE1-CB 4.14Å; Y289-L291 HydrophobicContact CE1-CD1 3.93Å; Y289-L291 PolarHBondContact O-N 2.99Å
290	S	19.9	Very low	23.2	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	72%	0.719	S	S	*	*			trans	-74.3	56	161.7	53.1	0	0	0	0	109.7	S288	S288-S290 PolarHBondContact O-N 2.91Å; S288-S290 PolarHBondContact O-OG 3.44Å
291	L	21.6	Very low	22.8	Very low	109 Å²	109	135 Å²	135	57%	0.571	71%	0.712	S	S	*	*			trans	-134.1	118.8	177.4	-80.5	174.6	0	0	0	110.5	Y289	Y289-L291 HydrophobicContact CD1-CB 3.92Å; Y289-L291 HydrophobicContact CD1-CD1 4.37Å; Y289-L291 HydrophobicContact CE1-CB 4.14Å; Y289-L291 HydrophobicContact CE1-CD1 3.93Å; Y289-L291 PolarHBondContact O-N 2.99Å
292	L	21.9	Very low	23	Very low	151 Å²	151	133.9 Å²	133.9	79%	0.791	71%	0.707	S	S	*	*			trans	67	101.1	149.3	-61.6	164.9	0	0	0	118.1
293	K	20.5	Very low	23.1	Very low	181 Å²	181	130 Å²	130	79%	0.787	69%	0.691	S	S	*	*				-37.9	140.3	129.7	-81.3	176	171.8	173	0	109.4
294	P	22.1	Very low	23.3	Very low	101 Å²	101	128.3 Å²	128.3	66%	0.656	68%	0.681	S	S	*	*				-130.7	137.2	100.7	34.4	-27.6	0	0	0	113.4	I296	P294-I296 HydrophobicContact CB-CG1 4.49Å; P294-I296 HydrophobicContact CG-CD1 4.46Å; P294-I296 HydrophobicContact CG-CG1 4.36Å; P294-I296 PolarHBondContact O-N 3.03Å; P294-I296 VanDerWaalsContact O-N 3.08Å
295	C	19.1	Very low	23.5	Very low	112 Å²	112	125.4 Å²	125.4	76%	0.757	67%	0.666	S	S	*	*			trans	-75.5	92.2	170.3	-58.4	0	0	0	0	109.8	K297	C295-K297 PolarHBondContact O-N 3.27Å
296	I	23.5	Very low	23.8	Very low	131 Å²	131	124.3 Å²	124.3	67%	0.672	65%	0.651	S	S	*	*			trans	-87.1	107.6	172.4	-57.8	-179.8	0	0	0	108.8	P294 F298	P294-I296 HydrophobicContact CB-CG1 4.49Å; P294-I296 HydrophobicContact CG-CD1 4.46Å; P294-I296 HydrophobicContact CG-CG1 4.36Å; P294-I296 PolarHBondContact O-N 3.03Å; P294-I296 VanDerWaalsContact O-N 3.08Å; I296-F298 PolarHBondContact O-N 2.77Å
297	K	22	Very low	24.2	Very low	190 Å²	190	121.9 Å²	121.9	83%	0.826	64%	0.635	S	S	*	*			trans	-62.3	113.4	169.4	-67.9	178.1	178.9	177.3	0	108.4	C295 P299	C295-K297 PolarHBondContact O-N 3.27Å; K297-P299 WeakPolarHBondContact O-CD 3.46Å; K297-P299 VanDerWaalsContact O-N 3.17Å
298	F	23.7	Very low	24.3	Very low	160 Å²	160	118.5 Å²	118.5	70%	0.702	62%	0.623	S	S	*	*			trans	-63.1	112	172.8	-85.2	-83.6	0	0	0	110.1	I296 N300	I296-F298 PolarHBondContact O-N 2.77Å; F298-N300 PolarHBondContact O-N 3.48Å; F298-N300 VanDerWaalsContact O-N 3.12Å
299	P	24.4	Very low	24.7	Very low	130 Å²	130	118.6 Å²	118.6	84%	0.844	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-6.3	-172.7	-18.2	33.8	0	0	0	113.9	K297	K297-P299 WeakPolarHBondContact O-CD 3.46Å; K297-P299 VanDerWaalsContact O-N 3.17Å
300	N	29.7	Very low	25.1	Very low	91 Å²	91	113.6 Å²	113.6	49%	0.487	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.4	21.5	-163.3	-138.1	-3.4	0	0	0	114.4	F298 N302 L303 I304	F298-N300 PolarHBondContact O-N 3.48Å; F298-N300 VanDerWaalsContact O-N 3.12Å; N300-N302 PolarHBondContact O-N 3.31Å; N300-L303 PolarHBondContact O-N 2.86Å; N300-L303 VanDerWaalsContact O-N 3.08Å; N300-L303 WeakPolarHBondContact OD1-CB 3.46Å; N300-I304 PolarHBondContact O-N 3.07Å
301	M	23.4	Very low	25.7	Very low	101 Å²	101	110.8 Å²	110.8	50%	0.498	59%	0.59	S	S	.	*	H	α-helix	trans	-54	-33.9	174.2	-75.1	-64.6	-65.9	0	0	112.4	L303 I304 N305	M301-L303 PolarHBondContact O-N 3.43Å; M301-I304 PolarHBondContact O-N 2.89Å; M301-N305 VanDerWaalsContact O-CB 3.25Å; M301-N305 WeakPolarHBondContact O-CB 3.23Å; M301-N305 PolarHBondContact O-N 3.48Å; M301-N305 PolarHBondContact O-ND2 2.84Å
302	N	26.6	Very low	26.3	Very low	125 Å²	125	109.8 Å²	109.8	67%	0.668	58%	0.581	S	S	*	*	H	α-helix	trans	-64.6	-37.7	177.1	-77.5	-6.1	0	0	0	113	N300 N305 Q306	N300-N302 PolarHBondContact O-N 3.31Å; N302-N305 PolarHBondContact O-N 3.5Å; N302-Q306 WeakPolarHBondContact O-CB 3.33Å; N302-Q306 WeakPolarHBondContact O-CG 3.33Å; N302-Q306 PolarHBondContact O-N 3.08Å
303	L	28.4	Very low	27	Very low	72 Å²	72	107.3 Å²	107.3	38%	0.377	57%	0.565	S	S	.	*	H	α-helix	trans	-72.7	-39	179.3	-171.5	68.2	0	0	0	111.6	N300 M301 Q306 Q307	N300-L303 PolarHBondContact O-N 2.86Å; N300-L303 VanDerWaalsContact O-N 3.08Å; N300-L303 WeakPolarHBondContact OD1-CB 3.46Å; M301-L303 PolarHBondContact O-N 3.43Å; L303-Q306 PolarHBondContact O-N 3.14Å; L303-Q307 WeakPolarHBondContact O-CG 3.35Å; L303-Q307 PolarHBondContact O-N 2.91Å
304	I	28.1	Very low	27.8	Very low	93 Å²	93	103 Å²	103	48%	0.477	55%	0.55	S	S	.	*	H	α-helix	trans	-65.3	-43.5	173.5	-61.8	175.3	0	0	0	109.9	N300 M301 Q306 Q307 C308	N300-I304 PolarHBondContact O-N 3.07Å; M301-I304 PolarHBondContact O-N 2.89Å; I304-Q306 VanDerWaalsContact C-N 3.34Å; I304-Q306 PolarHBondContact O-N 3Å; I304-Q307 PolarHBondContact O-N 2.9Å; I304-C308 WeakPolarHBondContact O-CB 3.42Å; I304-C308 PolarHBondContact O-N 3.23Å; I304-C308 PolarHBondContact O-SG 3.41Å; I304-C308 VanDerWaalsContact O-SG 3.39Å
305	N	27.1	Very low	28.5	Very low	81 Å²	81	99.3 Å²	99.3	43%	0.433	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-36.1	174.5	-74.3	-16.6	0	0	0	112.4	M301 N302 T309	M301-N305 VanDerWaalsContact O-CB 3.25Å; M301-N305 WeakPolarHBondContact O-CB 3.23Å; M301-N305 PolarHBondContact O-N 3.48Å; M301-N305 PolarHBondContact O-ND2 2.84Å; N302-N305 PolarHBondContact O-N 3.5Å; N305-T309 WeakPolarHBondContact O-CB 3.41Å; N305-T309 WeakPolarHBondContact O-CG2 3.26Å; N305-T309 PolarHBondContact O-N 3.12Å; N305-T309 PolarHBondContact O-OG1 3.01Å
306	Q	31.1	Very low	29.4	Very low	119 Å²	119	96.7 Å²	96.7	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-65.6	-41.4	172.2	-82.9	-179.9	-24.5	0	0	112.2	N302 L303 I304 T309 T310	N302-Q306 WeakPolarHBondContact O-CB 3.33Å; N302-Q306 WeakPolarHBondContact O-CG 3.33Å; N302-Q306 PolarHBondContact O-N 3.08Å; L303-Q306 PolarHBondContact O-N 3.14Å; I304-Q306 VanDerWaalsContact C-N 3.34Å; I304-Q306 PolarHBondContact O-N 3Å; Q306-T309 WeakPolarHBondContact CA-OG1 3.16Å; Q306-T309 PolarHBondContact O-N 3.05Å; Q306-T309 PolarHBondContact O-OG1 3.2Å; Q306-T310 WeakPolarHBondContact O-CB 3.48Å; Q306-T310 WeakPolarHBondContact O-CG2 3.28Å; Q306-T310 PolarHBondContact O-N 2.87Å; Q306-T310 PolarHBondContact O-OG1 3.18Å
307	Q	29.2	Very low	30.2	Very low	89 Å²	89	94.3 Å²	94.3	42%	0.416	49%	0.494	S	S	.	.	H	α-helix	trans	-67.6	-38.8	175.8	-72.8	173.7	-4.9	0	0	111.8	L303 I304 T310 S311	L303-Q307 WeakPolarHBondContact O-CG 3.35Å; L303-Q307 PolarHBondContact O-N 2.91Å; I304-Q307 PolarHBondContact O-N 2.9Å; Q307-T310 WeakPolarHBondContact CA-OG1 3.43Å; Q307-T310 PolarHBondContact O-OG1 3.47Å; Q307-T310 VanDerWaalsContact O-OG1 3.1Å; Q307-S311 VanDerWaalsContact O-CB 3.26Å; Q307-S311 WeakPolarHBondContact O-CB 3.36Å; Q307-S311 PolarHBondContact O-N 2.68Å
308	C	25.9	Very low	31.1	Very low	77 Å²	77	87.6 Å²	87.6	52%	0.52	47%	0.465	S	S	.	.	H	α-helix	trans	-66.5	-44.3	172.9	-73.2	0	0	0	0	112.3	I304 S311 F312	I304-C308 WeakPolarHBondContact O-CB 3.42Å; I304-C308 PolarHBondContact O-N 3.23Å; I304-C308 PolarHBondContact O-SG 3.41Å; I304-C308 VanDerWaalsContact O-SG 3.39Å; C308-S311 PolarHBondContact O-N 3.27Å; C308-F312 WeakPolarHBondContact O-CB 3.15Å; C308-F312 PolarHBondContact O-N 3.28Å
309	T	27.8	Very low	31.9	Very low	85 Å²	85	81.8 Å²	81.8	52%	0.521	44%	0.44	S	S	.	.	H	α-helix	trans	-70.6	-35.9	179	46.5	0	0	0	0	112.8	N305 Q306 F312 Q313	N305-T309 WeakPolarHBondContact O-CB 3.41Å; N305-T309 WeakPolarHBondContact O-CG2 3.26Å; N305-T309 PolarHBondContact O-N 3.12Å; N305-T309 PolarHBondContact O-OG1 3.01Å; Q306-T309 WeakPolarHBondContact CA-OG1 3.16Å; Q306-T309 PolarHBondContact O-N 3.05Å; Q306-T309 PolarHBondContact O-OG1 3.2Å; T309-F312 PolarHBondContact O-N 3.04Å; T309-Q313 WeakPolarHBondContact O-CB 3.43Å; T309-Q313 PolarHBondContact O-N 3.33Å
310	T	32	Very low	32.7	Very low	82 Å²	82	80.2 Å²	80.2	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-66.7	-43	170.7	48.7	0	0	0	0	111.7	Q306 Q307 F312 Q313 L314	Q306-T310 WeakPolarHBondContact O-CB 3.48Å; Q306-T310 WeakPolarHBondContact O-CG2 3.28Å; Q306-T310 PolarHBondContact O-N 2.87Å; Q306-T310 PolarHBondContact O-OG1 3.18Å; Q307-T310 WeakPolarHBondContact CA-OG1 3.43Å; Q307-T310 PolarHBondContact O-OG1 3.47Å; Q307-T310 VanDerWaalsContact O-OG1 3.1Å; T310-F312 VanDerWaalsContact C-N 3.29Å; T310-F312 PolarHBondContact O-N 3.25Å; T310-Q313 PolarHBondContact O-N 3.18Å; T310-L314 WeakPolarHBondContact O-CB 2.94Å; T310-L314 VanDerWaalsContact O-CG 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.46Å; T310-L314 PolarHBondContact O-N 3.16Å
311	S	32.2	Very low	33.8	Very low	46 Å²	46	79.2 Å²	79.2	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-61.8	-35.2	173.1	-174.9	0	0	0	0	112.9	Q307 C308 S315	Q307-S311 VanDerWaalsContact O-CB 3.26Å; Q307-S311 WeakPolarHBondContact O-CB 3.36Å; Q307-S311 PolarHBondContact O-N 2.68Å; C308-S311 PolarHBondContact O-N 3.27Å; S311-S315 PolarHBondContact O-N 3.48Å; S311-S315 VanDerWaalsContact O-N 3.14Å
312	F	32.9	Very low	34.6	Very low	89 Å²	89	76.6 Å²	76.6	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-74.5	-39.9	177.2	-174.8	-99.4	0	0	0	112.1	C308 T309 T310 S315 I316 Y505	C308-F312 WeakPolarHBondContact O-CB 3.15Å; C308-F312 PolarHBondContact O-N 3.28Å; T309-F312 PolarHBondContact O-N 3.04Å; T310-F312 VanDerWaalsContact C-N 3.29Å; T310-F312 PolarHBondContact O-N 3.25Å; F312-S315 PolarHBondContact O-N 3.24Å; F312-S315 PolarHBondContact O-OG 3.37Å; F312-I316 HydrophobicContact CD1-CD1 3.75Å; F312-I316 HydrophobicContact CE1-CD1 3.39Å; F312-I316 HydrophobicContact CE1-CG1 4.48Å; F312-I316 HydrophobicContact CZ-CD1 3.96Å; F312-I316 WeakPolarHBondContact O-CG1 3.4Å; F312-I316 PolarHBondContact O-N 2.87Å; F312-Y505 AromaticContact CE2-CE1 3.81Å; F312-Y505 HydrophobicContact CE2-CE1 3.81Å
313	Q	38	Very low	35.3	Very low	99 Å²	99	75 Å²	75	46%	0.463	39%	0.387	S	S	.	.	H	α-helix	trans	-67.2	-39.1	174	-169.6	61.9	52.9	0	0	111.2	T309 T310 S315 I316 N317	T309-Q313 WeakPolarHBondContact O-CB 3.43Å; T309-Q313 PolarHBondContact O-N 3.33Å; T310-Q313 PolarHBondContact O-N 3.18Å; Q313-S315 PolarHBondContact O-N 3.16Å; Q313-I316 PolarHBondContact O-N 3.23Å; Q313-N317 PolarHBondContact NE2-OD1 2.92Å; Q313-N317 VanDerWaalsContact O-CB 3.29Å; Q313-N317 WeakPolarHBondContact O-CB 3.35Å; Q313-N317 PolarHBondContact O-N 3.47Å; Q313-N317 PolarHBondContact O-OD1 3.33Å
314	L	37.6	Very low	36.2	Very low	90 Å²	90	76.4 Å²	76.4	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-40.9	173.6	-76.5	167	0	0	0	111.9	T163 T310 N317 F318	T163-L314 HydrophobicContact CG2-CD1 4.41Å; T163-L314 HydrophobicContact CG2-CD2 3.77Å; T310-L314 WeakPolarHBondContact O-CB 2.94Å; T310-L314 VanDerWaalsContact O-CG 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.46Å; T310-L314 PolarHBondContact O-N 3.16Å; L314-N317 PolarHBondContact O-N 3.06Å; L314-F318 WeakPolarHBondContact O-CB 3.49Å; L314-F318 PolarHBondContact O-N 3.39Å
315	S	36.5	Very low	37	Very low	23 Å²	23	74 Å²	74	16%	0.161	38%	0.378	C	S	.	.	H	α-helix	trans	-72.2	-36.5	177.3	72.9	0	0	0	0	113	S311 F312 Q313 F318 I319 Y506	S311-S315 PolarHBondContact O-N 3.48Å; S311-S315 VanDerWaalsContact O-N 3.14Å; F312-S315 PolarHBondContact O-N 3.24Å; F312-S315 PolarHBondContact O-OG 3.37Å; Q313-S315 PolarHBondContact O-N 3.16Å; S315-F318 PolarHBondContact O-N 2.99Å; S315-I319 WeakPolarHBondContact O-CB 3.45Å; S315-I319 WeakPolarHBondContact O-CD1 3.46Å; S315-I319 WeakPolarHBondContact O-CG1 3.43Å; S315-I319 PolarHBondContact O-N 2.79Å; S315-Y506 WeakPolarHBondContact CB-OH 3.39Å; S315-Y506 PolarHBondContact OG-OH 3.14Å
316	I	38.1	Very low	37.6	Very low	57 Å²	57	73.6 Å²	73.6	29%	0.292	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-46.7	170.6	-73.1	173.7	0	0	0	110.8	F312 Q313 F318 I319 N320	F312-I316 HydrophobicContact CD1-CD1 3.75Å; F312-I316 HydrophobicContact CE1-CD1 3.39Å; F312-I316 HydrophobicContact CE1-CG1 4.48Å; F312-I316 HydrophobicContact CZ-CD1 3.96Å; F312-I316 WeakPolarHBondContact O-CG1 3.4Å; F312-I316 PolarHBondContact O-N 2.87Å; Q313-I316 PolarHBondContact O-N 3.23Å; I316-F318 VanDerWaalsContact C-N 3.33Å; I316-F318 PolarHBondContact O-N 3.28Å; I316-I319 PolarHBondContact O-N 3.38Å; I316-N320 WeakPolarHBondContact O-CB 3.45Å; I316-N320 VanDerWaalsContact O-CG 3.28Å; I316-N320 PolarHBondContact O-N 3.33Å; I316-N320 PolarHBondContact O-ND2 2.99Å
317	N	39.8	Very low	38.2	Very low	82 Å²	82	73 Å²	73	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-42.5	177.6	-69.8	-0.5	0	0	0	111.1	Q313 L314 N320 W321	Q313-N317 PolarHBondContact NE2-OD1 2.92Å; Q313-N317 VanDerWaalsContact O-CB 3.29Å; Q313-N317 WeakPolarHBondContact O-CB 3.35Å; Q313-N317 PolarHBondContact O-N 3.47Å; Q313-N317 PolarHBondContact O-OD1 3.33Å; L314-N317 PolarHBondContact O-N 3.06Å; N317-N320 PolarHBondContact O-N 3.09Å; N317-W321 WeakPolarHBondContact O-CB 3.46Å; N317-W321 PolarHBondContact O-N 2.87Å
318	F	40.4	Very low	38.9	Very low	49 Å²	49	72 Å²	72	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-64.7	-41.9	175.1	177.4	-101.6	0	0	0	112.8	L239 L314 S315 I316 N320 W321 Y322	L239-F318 HydrophobicContact CD2-CD2 4.44Å; L239-F318 HydrophobicContact CD2-CE2 3.5Å; L239-F318 HydrophobicContact CD2-CZ 3.62Å; L314-F318 WeakPolarHBondContact O-CB 3.49Å; L314-F318 PolarHBondContact O-N 3.39Å; S315-F318 PolarHBondContact O-N 2.99Å; I316-F318 VanDerWaalsContact C-N 3.33Å; I316-F318 PolarHBondContact O-N 3.28Å; F318-N320 VanDerWaalsContact C-N 3.34Å; F318-N320 PolarHBondContact O-N 3.35Å; F318-W321 HydrophobicContact CD2-CE3 4.24Å; F318-W321 HydrophobicContact CE2-CE3 4.08Å; F318-W321 HydrophobicContact CE2-CZ3 4.12Å; F318-W321 PolarHBondContact O-N 3.19Å; F318-Y322 VanDerWaalsContact O-CB 3.31Å; F318-Y322 WeakPolarHBondContact O-CB 3.4Å; F318-Y322 PolarHBondContact O-N 3.07Å
319	I	41	Very low	39.6	Very low	38 Å²	38	71.2 Å²	71.2	20%	0.195	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-42.9	176.2	-73.5	164.2	0	0	0	110.7	S315 I316 Y322 H323 Y513	S315-I319 WeakPolarHBondContact O-CB 3.45Å; S315-I319 WeakPolarHBondContact O-CD1 3.46Å; S315-I319 WeakPolarHBondContact O-CG1 3.43Å; S315-I319 PolarHBondContact O-N 2.79Å; I316-I319 PolarHBondContact O-N 3.38Å; I319-Y322 PolarHBondContact O-N 2.91Å; I319-H323 WeakPolarHBondContact O-CB 3.47Å; I319-H323 PolarHBondContact O-N 3.35Å; I319-Y513 HydrophobicContact CG2-CE2 4.25Å; I319-Y513 WeakPolarHBondContact CG2-OH 3.45Å
320	N	40.2	Very low	40.2	Very low	96 Å²	96	72.5 Å²	72.5	51%	0.513	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-46.5	176	-69.3	-22.8	0	0	0	111.4	I316 N317 F318 Y322 H323 Q324	I316-N320 WeakPolarHBondContact O-CB 3.45Å; I316-N320 VanDerWaalsContact O-CG 3.28Å; I316-N320 PolarHBondContact O-N 3.33Å; I316-N320 PolarHBondContact O-ND2 2.99Å; N317-N320 PolarHBondContact O-N 3.09Å; F318-N320 VanDerWaalsContact C-N 3.34Å; F318-N320 PolarHBondContact O-N 3.35Å; N320-Y322 PolarHBondContact O-N 3.32Å; N320-H323 WeakPolarHBondContact O-CB 3.47Å; N320-H323 PolarHBondContact O-N 2.83Å; N320-Q324 PolarHBondContact O-N 3.37Å
321	W	53	Low	40.8	Very low	70 Å²	70	73.6 Å²	73.6	27%	0.265	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-43.2	175.4	177.7	88.1	0	0	0	111.9	F168 N317 F318 H323 Q324 F325	F168-W321 HydrophobicContact CE1-CD2 4.36Å; F168-W321 HydrophobicContact CE1-CZ2 4.4Å; N317-W321 WeakPolarHBondContact O-CB 3.46Å; N317-W321 PolarHBondContact O-N 2.87Å; F318-W321 HydrophobicContact CD2-CE3 4.24Å; F318-W321 HydrophobicContact CE2-CE3 4.08Å; F318-W321 HydrophobicContact CE2-CZ3 4.12Å; F318-W321 PolarHBondContact O-N 3.19Å; W321-H323 PolarHBondContact O-N 3.08Å; W321-Q324 PolarHBondContact O-N 2.92Å; W321-F325 HydrophobicContact CH2-CD2 4.37Å; W321-F325 HydrophobicContact CH2-CG 4.35Å; W321-F325 HydrophobicContact CZ2-CD2 4.44Å; W321-F325 VanDerWaalsContact O-CB 3.3Å; W321-F325 WeakPolarHBondContact O-CB 3.44Å; W321-F325 PolarHBondContact O-N 3.23Å
322	Y	41.1	Very low	41.3	Very low	47 Å²	47	74.4 Å²	74.4	18%	0.184	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-39.3	176.7	179.5	-107	0	0	0	112.2	P236 F318 I319 N320 F325 I326	P236-Y322 HydrophobicContact CG-CD1 4.42Å; P236-Y322 HydrophobicContact CG-CD2 4.07Å; P236-Y322 HydrophobicContact CG-CE1 3.89Å; P236-Y322 HydrophobicContact CG-CE2 3.48Å; P236-Y322 VanDerWaalsContact CG-CE2 3.48Å; F318-Y322 VanDerWaalsContact O-CB 3.31Å; F318-Y322 WeakPolarHBondContact O-CB 3.4Å; F318-Y322 PolarHBondContact O-N 3.07Å; I319-Y322 PolarHBondContact O-N 2.91Å; N320-Y322 PolarHBondContact O-N 3.32Å; Y322-F325 HydrophobicContact CD2-CD1 4.3Å; Y322-F325 HydrophobicContact CE2-CD1 4.45Å; Y322-F325 PolarHBondContact O-N 3.33Å; Y322-I326 HydrophobicContact CD1-CG1 4.37Å; Y322-I326 HydrophobicContact CD2-CG1 4.16Å; Y322-I326 HydrophobicContact CE1-CG1 3.9Å; Y322-I326 HydrophobicContact CE2-CD1 3.82Å; Y322-I326 HydrophobicContact CE2-CG1 3.66Å; Y322-I326 HydrophobicContact CG-CG1 4.49Å; Y322-I326 WeakPolarHBondContact O-CB 3.28Å; Y322-I326 WeakPolarHBondContact O-CG1 3.09Å; Y322-I326 PolarHBondContact O-N 3.47Å
323	H	41.3	Very low	41.4	Very low	90 Å²	90	74.5 Å²	74.5	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-44.8	172.3	-115.6	-103.5	0	0	0	111.6	I319 N320 W321 Q327 Y513	I319-H323 WeakPolarHBondContact O-CB 3.47Å; I319-H323 PolarHBondContact O-N 3.35Å; N320-H323 WeakPolarHBondContact O-CB 3.47Å; N320-H323 PolarHBondContact O-N 2.83Å; W321-H323 PolarHBondContact O-N 3.08Å; H323-Q327 WeakPolarHBondContact O-CB 3.48Å; H323-Q327 WeakPolarHBondContact O-CG 3.32Å; H323-Q327 PolarHBondContact O-N 2.93Å; H323-Y513 AromaticContact NE2-CE1 3.95Å
324	Q	46.9	Very low	41.6	Very low	102 Å²	102	73 Å²	73	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-66.3	-41.4	177.3	-164.1	65.9	43.9	0	0	111.8	N320 W321 Q327 N328	N320-Q324 PolarHBondContact O-N 3.37Å; W321-Q324 PolarHBondContact O-N 2.92Å; Q324-Q327 PolarHBondContact O-N 2.96Å; Q324-N328 PolarHBondContact NE2-OD1 3.21Å; Q324-N328 WeakPolarHBondContact O-CB 3.3Å; Q324-N328 PolarHBondContact O-N 3.4Å; Q324-N328 PolarHBondContact O-OD1 2.79Å
325	F	43.9	Very low	41.8	Very low	44 Å²	44	75.4 Å²	75.4	19%	0.193	36%	0.362	C	S	.	.	H	α-helix	trans	-59.9	-49.6	175.8	173.3	-104.8	0	0	0	111.4	I175 W321 Y322 Q327 N328 L329	I175-F325 HydrophobicContact CD1-CE2 4.4Å; I175-F325 HydrophobicContact CG2-CE2 4.32Å; W321-F325 HydrophobicContact CH2-CD2 4.37Å; W321-F325 HydrophobicContact CH2-CG 4.35Å; W321-F325 HydrophobicContact CZ2-CD2 4.44Å; W321-F325 VanDerWaalsContact O-CB 3.3Å; W321-F325 WeakPolarHBondContact O-CB 3.44Å; W321-F325 PolarHBondContact O-N 3.23Å; Y322-F325 HydrophobicContact CD2-CD1 4.3Å; Y322-F325 HydrophobicContact CE2-CD1 4.45Å; Y322-F325 PolarHBondContact O-N 3.33Å; F325-Q327 PolarHBondContact O-N 3.48Å; F325-N328 PolarHBondContact O-N 2.88Å; F325-L329 HydrophobicContact CD1-CD1 4.43Å; F325-L329 HydrophobicContact CE1-CD1 3.69Å; F325-L329 HydrophobicContact CE2-CD1 4.33Å; F325-L329 HydrophobicContact CZ-CD1 3.62Å; F325-L329 WeakPolarHBondContact O-CB 3.39Å; F325-L329 PolarHBondContact O-N 3.23Å
326	I	41.2	Very low	42	Very low	72 Å²	72	80.4 Å²	80.4	37%	0.369	38%	0.383	S	S	.	.	H	α-helix	trans	-65.5	-36.4	177.5	-66.9	-63.6	0	0	0	112	Y322 Y330	Y322-I326 HydrophobicContact CD1-CG1 4.37Å; Y322-I326 HydrophobicContact CD2-CG1 4.16Å; Y322-I326 HydrophobicContact CE1-CG1 3.9Å; Y322-I326 HydrophobicContact CE2-CD1 3.82Å; Y322-I326 HydrophobicContact CE2-CG1 3.66Å; Y322-I326 HydrophobicContact CG-CG1 4.49Å; Y322-I326 WeakPolarHBondContact O-CB 3.28Å; Y322-I326 WeakPolarHBondContact O-CG1 3.09Å; Y322-I326 PolarHBondContact O-N 3.47Å; I326-Y330 WeakPolarHBondContact O-CB 3.37Å; I326-Y330 PolarHBondContact O-N 2.8Å
327	Q	43.1	Very low	41.8	Very low	106 Å²	106	85.5 Å²	85.5	50%	0.495	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-45.6	172.1	-76.4	-178.7	-1.8	0	0	111.8	H323 Q324 F325 Y330 Q331	H323-Q327 WeakPolarHBondContact O-CB 3.48Å; H323-Q327 WeakPolarHBondContact O-CG 3.32Å; H323-Q327 PolarHBondContact O-N 2.93Å; Q324-Q327 PolarHBondContact O-N 2.96Å; F325-Q327 PolarHBondContact O-N 3.48Å; Q327-Y330 PolarHBondContact O-N 3.1Å; Q327-Q331 VanDerWaalsContact O-CG 3.29Å; Q327-Q331 WeakPolarHBondContact O-CG 3.5Å; Q327-Q331 PolarHBondContact O-N 3.06Å
328	N	43.8	Very low	41.6	Very low	69 Å²	69	88.3 Å²	88.3	37%	0.369	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-42	177.1	-70	-5.3	0	0	0	111.5	Q324 F325 Q331 L332	Q324-N328 PolarHBondContact NE2-OD1 3.21Å; Q324-N328 WeakPolarHBondContact O-CB 3.3Å; Q324-N328 PolarHBondContact O-N 3.4Å; Q324-N328 PolarHBondContact O-OD1 2.79Å; F325-N328 PolarHBondContact O-N 2.88Å; N328-Q331 PolarHBondContact O-N 3.48Å; N328-L332 WeakPolarHBondContact O-CB 3.42Å; N328-L332 WeakPolarHBondContact O-CG 3.27Å; N328-L332 PolarHBondContact O-N 3.3Å
329	L	41.5	Very low	41	Very low	60 Å²	60	94.3 Å²	94.3	31%	0.314	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-43.8	175.3	-122.2	172.7	0	0	0	111.5	F325 Q331 L332 L333	F325-L329 HydrophobicContact CD1-CD1 4.43Å; F325-L329 HydrophobicContact CE1-CD1 3.69Å; F325-L329 HydrophobicContact CE2-CD1 4.33Å; F325-L329 HydrophobicContact CZ-CD1 3.62Å; F325-L329 WeakPolarHBondContact O-CB 3.39Å; F325-L329 PolarHBondContact O-N 3.23Å; L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 3.04Å; L329-L332 PolarHBondContact O-N 2.88Å; L329-L333 HydrophobicContact CD2-CD1 4.15Å; L329-L333 HydrophobicContact CD2-CG 4.24Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 3.49Å
330	Y	39.7	Very low	40.4	Very low	111 Å²	111	98.4 Å²	98.4	44%	0.435	48%	0.475	S	S	.	.	H	α-helix	trans	-65.4	-37.1	177.1	-168.6	-116.4	0	0	0	112.2	I326 Q327 L334 K524	I326-Y330 WeakPolarHBondContact O-CB 3.37Å; I326-Y330 PolarHBondContact O-N 2.8Å; Q327-Y330 PolarHBondContact O-N 3.1Å; Y330-L334 HydrophobicContact CD1-CD1 3.9Å; Y330-L334 HydrophobicContact CE1-CD1 3.55Å; Y330-L334 HydrophobicContact CE1-CG 4.36Å; Y330-L334 WeakPolarHBondContact O-CB 3.39Å; Y330-L334 WeakPolarHBondContact O-CG 3.24Å; Y330-L334 PolarHBondContact O-N 2.99Å; Y330-L334 VanDerWaalsContact O-N 3.1Å; Y330-K524 PolarHBondContact OH-NZ 2.95Å
331	Q	44.7	Very low	40	Very low	105 Å²	105	98.9 Å²	98.9	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-69.4	-32.2	172.7	-69.9	-70.1	-20.3	0	0	113	Q327 N328 L329 K335	Q327-Q331 VanDerWaalsContact O-CG 3.29Å; Q327-Q331 WeakPolarHBondContact O-CG 3.5Å; Q327-Q331 PolarHBondContact O-N 3.06Å; N328-Q331 PolarHBondContact O-N 3.48Å; L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 3.04Å; Q331-K335 WeakPolarHBondContact O-CB 3.44Å; Q331-K335 VanDerWaalsContact O-CG 3.23Å; Q331-K335 WeakPolarHBondContact O-CG 3.5Å; Q331-K335 PolarHBondContact O-N 3.42Å
332	L	42.7	Very low	39	Very low	63 Å²	63	101.5 Å²	101.5	33%	0.33	51%	0.511	S	S	.	.	H	α-helix	trans	-71.6	-45.5	175.3	-77.9	164.9	0	0	0	111.6	N328 L329 K335 Q336	N328-L332 WeakPolarHBondContact O-CB 3.42Å; N328-L332 WeakPolarHBondContact O-CG 3.27Å; N328-L332 PolarHBondContact O-N 3.3Å; L329-L332 PolarHBondContact O-N 2.88Å; L332-K335 CarbonylContact O-C 3.59Å; L332-K335 PolarHBondContact O-N 3.03Å; L332-K335 VanDerWaalsContact O-N 3.07Å; L332-Q336 PolarHBondContact O-N 3.49Å
333	L	35.4	Very low	38.5	Very low	92 Å²	92	107 Å²	107	48%	0.482	54%	0.543	S	S	.	.	H	α-helix	trans	-59.6	-48.3	175.8	-70.4	167.1	0	0	0	111.3	L329 K335 Q336 E337	L329-L333 HydrophobicContact CD2-CD1 4.15Å; L329-L333 HydrophobicContact CD2-CG 4.24Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 3.49Å; L333-K335 PolarHBondContact O-N 2.75Å; L333-Q336 PolarHBondContact O-N 3.3Å; L333-Q336 VanDerWaalsContact O-N 3.09Å; L333-E337 PolarHBondContact O-N 3.27Å
334	L	40.5	Very low	38.1	Very low	68 Å²	68	108.9 Å²	108.9	36%	0.356	56%	0.563	S	S	.	*	H	α-helix	trans	-59.2	-26.5	174	-77.6	171.2	0	0	0	113.8	Y330 L338	Y330-L334 HydrophobicContact CD1-CD1 3.9Å; Y330-L334 HydrophobicContact CE1-CD1 3.55Å; Y330-L334 HydrophobicContact CE1-CG 4.36Å; Y330-L334 WeakPolarHBondContact O-CB 3.39Å; Y330-L334 WeakPolarHBondContact O-CG 3.24Å; Y330-L334 PolarHBondContact O-N 2.99Å; Y330-L334 VanDerWaalsContact O-N 3.1Å; L334-L338 WeakPolarHBondContact O-CD1 3.37Å
335	K	42.9	Very low	37.2	Very low	140 Å²	140	109.5 Å²	109.5	61%	0.609	58%	0.579	S	S	*	*	H	α-helix	trans	-87.6	-22.5	176.4	-76.3	175.4	-179.4	-176.9	0	113.6	Q331 L332 L333	Q331-K335 WeakPolarHBondContact O-CB 3.44Å; Q331-K335 VanDerWaalsContact O-CG 3.23Å; Q331-K335 WeakPolarHBondContact O-CG 3.5Å; Q331-K335 PolarHBondContact O-N 3.42Å; L332-K335 CarbonylContact O-C 3.59Å; L332-K335 PolarHBondContact O-N 3.03Å; L332-K335 VanDerWaalsContact O-N 3.07Å; L333-K335 PolarHBondContact O-N 2.75Å
336	Q	40.3	Very low	36.7	Very low	127 Å²	127	113.2 Å²	113.2	59%	0.593	61%	0.611	S	S	*	*	H	α-helix	trans	-77.9	-34.6	177.2	-78.9	-178.5	-31	0	0	112.1	L332 L333 L338	L332-Q336 PolarHBondContact O-N 3.49Å; L333-Q336 PolarHBondContact O-N 3.3Å; L333-Q336 VanDerWaalsContact O-N 3.09Å; Q336-L338 PolarHBondContact O-N 3.34Å; Q336-L338 VanDerWaalsContact O-N 3.14Å
337	E	35	Very low	36.3	Very low	165 Å²	165	114.9 Å²	114.9	77%	0.771	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-4.5	175.4	-65.7	-175.8	156.3	0	0	114	L333	L333-E337 PolarHBondContact O-N 3.27Å
338	L	34.3	Very low	36.1	Very low	141 Å²	141	115.3 Å²	115.3	74%	0.738	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	16.8	-174.9	-73.8	173.3	0	0	0	115.1	L334 Q336 P340	L334-L338 WeakPolarHBondContact O-CD1 3.37Å; Q336-L338 PolarHBondContact O-N 3.34Å; Q336-L338 VanDerWaalsContact O-N 3.14Å; L338-P340 WeakPolarHBondContact O-CD 3.3Å
339	K	29.2	Very low	35.8	Very low	174 Å²	174	117.8 Å²	117.8	76%	0.757	66%	0.66	S	S	*	*			trans	-108.7	103.1	173.2	-84.6	-168.6	172.7	-174.7	0	112.7
340	P	28.2	Very low	35.4	Very low	125 Å²	125	120.4 Å²	120.4	81%	0.812	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-76.3	126.9	164.2	30.8	-31.7	0	0	0	110.5	L338	L338-P340 WeakPolarHBondContact O-CD 3.3Å
341	S	30.2	Very low	35.3	Very low	106 Å²	106	124.2 Å²	124.2	74%	0.741	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-87.2	140.8	170.6	-66.4	0	0	0	0	110.9
342	P	32.1	Very low	34.9	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-77.3	146	-179.5	31.7	-35.1	0	0	0	112.4
343	L	32.3	Very low	34.2	Very low	163 Å²	163	134.4 Å²	134.4	85%	0.853	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-94.3	148.8	163.2	-84.3	85.6	0	0	0	110.4
344	P	33.1	Very low	34.1	Very low	129 Å²	129	139 Å²	139	84%	0.838	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-75.5	157.6	-178.8	31.9	-35.8	0	0	0	113
345	S	27.7	Very low	33.9	Very low	115 Å²	115	143.9 Å²	143.9	80%	0.804	79%	0.789	S	S	*	*			trans	-106.5	133.7	-169.4	55.1	0	0	0	0	114.5
346	S	33.1	Very low	33.5	Very low	123 Å²	123	146.6 Å²	146.6	86%	0.86	80%	0.804	S	S	*	*			trans	-150.5	134.3	151.8	53.1	0	0	0	0	110.4
347	S	31.5	Very low	33.2	Very low	107 Å²	107	149.9 Å²	149.9	75%	0.748	82%	0.819	S	S	*	*			trans	-177.4	176.1	-170.4	58.8	0	0	0	0	110.7
348	P	39.2	Very low	33	Very low	114 Å²	114	151.8 Å²	151.8	74%	0.74	82%	0.819	S	S	*	*			cis	-102.8	-101	-17.8	26.7	-5.1	0	0	0	109.1
349	P	37.8	Very low	33.1	Very low	122 Å²	122	153.9 Å²	153.9	79%	0.792	83%	0.825	S	S	*	*			cis	-102	171.9	-16.1	40.8	-31.9	0	0	0	113.9
350	P	33.9	Very low	33.2	Very low	115 Å²	115	152.6 Å²	152.6	75%	0.747	83%	0.825	S	S	*	*			trans	-126.1	162.3	-178.5	41.6	-29.3	0	0	0	116.4
351	Q	37.3	Very low	33.1	Very low	190 Å²	190	150 Å²	150	89%	0.888	82%	0.821	S	S	*	*			trans	-155.8	160.2	155.6	-110.5	168.8	25.8	0	0	111.2
352	Q	35.5	Very low	33	Very low	192 Å²	192	153.4 Å²	153.4	90%	0.897	83%	0.825	S	S	*	*			trans	60	77.2	176.3	-63.9	-176.6	-8.6	0	0	117.3
353	Q	28.1	Very low	32.8	Very low	191 Å²	191	156.9 Å²	156.9	89%	0.893	83%	0.83	S	S	*	*			trans	-91.1	167.7	146.4	-71.4	-178.7	-19.7	0	0	109.7
354	Q	34.4	Very low	32.6	Very low	187 Å²	187	157.8 Å²	157.8	87%	0.874	83%	0.83	S	S	*	*			trans	89	76.2	175.6	-53.2	-179.9	-7.8	0	0	117.6
355	E	36.6	Very low	32.3	Very low	171 Å²	171	158.5 Å²	158.5	80%	0.799	83%	0.827	S	S	*	*	S	Bend	trans	-154.3	-23.2	149.9	-135.5	156.9	-157.2	0	0	118.2	Q357	E355-Q357 PolarHBondContact O-N 3.15Å
356	Q	34.3	Very low	32.2	Very low	198 Å²	198	163.8 Å²	163.8	93%	0.925	83%	0.831	S	S	*	*	S	Bend	trans	-92.2	12.1	-172.7	-69.8	-173.7	-11.9	0	0	117	R358	Q356-R358 PolarHBondContact O-N 3.4Å
357	Q	33.2	Very low	31.9	Very low	196 Å²	196	166.4 Å²	166.4	92%	0.916	83%	0.829	S	S	*	*			trans	-92.6	44.9	174.6	-75.9	-171.3	-29	0	0	113.8	E355	E355-Q357 PolarHBondContact O-N 3.15Å
358	R	30.7	Very low	31.6	Very low	205 Å²	205	167 Å²	167	77%	0.774	83%	0.828	S	S	*	*			trans	-148.8	64.3	174	-74.7	-163.1	-62.4	-122.2	-5.2	114.3	Q356	Q356-R358 PolarHBondContact O-N 3.4Å
359	Q	36.3	Very low	30.8	Very low	185 Å²	185	168.9 Å²	168.9	86%	0.864	83%	0.832	S	S	*	*	S	Bend	trans	178.8	134	163.7	-104.6	157.7	70.2	0	0	107.5
360	I	31.8	Very low	30.2	Very low	147 Å²	147	171.7 Å²	171.7	75%	0.754	84%	0.835	S	S	*	*			cis	-132	134.8	-9.8	-69.6	168.9	0	0	0	107
361	G	25.4	Very low	29.7	Very low	70 Å²	70	176.6 Å²	176.6	72%	0.722	85%	0.845	S	S	*	*			trans	-118.3	103.4	168.4	0	0	0	0	0	110.6
362	H	29.6	Very low	29.1	Very low	178 Å²	178	174.5 Å²	174.5	82%	0.824	84%	0.84	S	S	*	*			trans	-151.5	154.6	169	-96.9	-72.1	0	0	0	110.2
363	Q	28	Very low	28.5	Very low	197 Å²	197	174.6 Å²	174.6	92%	0.921	84%	0.837	S	S	*	*			trans	75.1	62.8	-173.1	-56	-171.1	-3.4	0	0	116
364	Q	27.6	Very low	28.3	Very low	182 Å²	182	174.6 Å²	174.6	85%	0.85	83%	0.834	S	S	*	*			trans	-93.7	155.1	138.5	-71.9	-177.9	-16.9	0	0	109
365	N	25.5	Very low	27.9	Very low	143 Å²	143	174.1 Å²	174.1	77%	0.765	83%	0.826	S	S	*	*			trans	62.7	110.5	178.9	-62.6	-34	0	0	0	116.8
366	Y	25.8	Very low	27.3	Very low	227 Å²	227	171.4 Å²	171.4	89%	0.89	82%	0.823	S	S	*	*				-164.7	149.6	103.7	-94.4	-69.2	0	0	0	109.2
367	Q	28.3	Very low	26.9	Very low	178 Å²	178	170.7 Å²	170.7	83%	0.832	82%	0.824	S	S	*	*			trans	60	103.6	176.9	-57.1	175.4	4	0	0	114.4
368	T	23.7	Very low	26.3	Very low	118 Å²	118	167.2 Å²	167.2	72%	0.724	81%	0.812	S	S	*	*			cis	66.2	112.3	28.9	79	0	0	0	0	116.4
369	N	23	Very low	26.1	Very low	155 Å²	155	165.5 Å²	165.5	83%	0.829	82%	0.817	S	S	*	*			trans	73.8	132.9	166.1	-50.2	-18.6	0	0	0	115.1
370	E	25	Very low	25.4	Very low	180 Å²	180	163.8 Å²	163.8	84%	0.841	81%	0.814	S	S	*	*	S	Bend	cis	-140.8	128.5	-3.8	-61.6	-178.3	94.1	0	0	110.5
371	F	24.6	Very low	25	Very low	218 Å²	218	161.5 Å²	161.5	96%	0.956	81%	0.811	S	S	*	*			trans	-167	23.4	145.7	-115.9	-66.1	0	0	0	114.8
372	D	22.8	Very low	24.9	Very low	146 Å²	146	167.9 Å²	167.9	78%	0.781	82%	0.819	S	S	*	*			trans	-86.6	124.6	-177	-132.5	-31.1	0	0	0	111.7
373	K	23.5	Very low	24.5	Very low	195 Å²	195	167.1 Å²	167.1	85%	0.848	82%	0.822	S	S	*	*			trans	161.5	66.8	155.3	-86.9	150	-165	162	0	114.8
374	K	24	Very low	24.5	Very low	190 Å²	190	165 Å²	165	83%	0.826	82%	0.816	S	S	*	*	S	Bend	trans	-179.2	85.3	142.2	-103.4	162.9	179.8	171.9	0	114.7
375	Y	26.2	Very low	24.3	Very low	178 Å²	178	165.7 Å²	165.7	70%	0.698	82%	0.818	S	S	*	*			trans	53.5	88.2	152.3	-56.7	-79.3	0	0	0	119.8	T538	Y375-T538 HydrophobicContact CE1-CG2 4.39Å; Y375-T538 HydrophobicContact CE2-CG2 3.92Å
376	P	23.2	Very low	24.4	Very low	114 Å²	114	165.5 Å²	165.5	74%	0.74	82%	0.817	S	S	*	*			trans	-106	111.6	154.8	34.1	-22.9	0	0	0	111.4
377	L	26.1	Very low	24.5	Very low	183 Å²	183	158 Å²	158	96%	0.958	79%	0.792	S	S	*	*			trans	-143.7	159	167.3	-85.5	-175.7	0	0	0	112.4
378	N	21.7	Very low	24.6	Very low	123 Å²	123	157.7 Å²	157.7	66%	0.658	79%	0.788	S	S	*	*			trans	-127.2	144.9	-156.7	172.5	10.7	0	0	0	110.8
379	L	26	Very low	24.8	Very low	169 Å²	169	158.8 Å²	158.8	89%	0.885	79%	0.785	S	S	*	*			trans	-153.4	110.7	152.2	-144	75.8	0	0	0	112.2
380	N	21.4	Very low	25.5	Very low	148 Å²	148	157.9 Å²	157.9	79%	0.791	77%	0.774	S	S	*	*			trans	-91.2	122	171.4	-98.9	-28.9	0	0	0	110.7
381	S	22.6	Very low	25.8	Very low	100 Å²	100	156.7 Å²	156.7	70%	0.699	76%	0.762	S	S	*	*			trans	179.6	102.3	145.4	51.2	0	0	0	0	112.7
382	F	24.6	Very low	26.1	Very low	203 Å²	203	150.6 Å²	150.6	89%	0.89	74%	0.74	S	S	*	*			trans	-174	102.8	131.5	-112.5	-73.9	0	0	0	108.7
383	N	21.5	Very low	26.7	Very low	163 Å²	163	149.5 Å²	149.5	87%	0.872	73%	0.73	S	S	*	*			trans	-85.7	130.4	-179.5	-84.7	-27.4	0	0	0	110.9
384	L	27.5	Very low	27.3	Very low	153 Å²	153	147.8 Å²	147.8	80%	0.801	72%	0.723	S	S	*	*			trans	-143.3	98	157.7	-124.5	163	0	0	0	108.4	L386	L384-L386 VanDerWaalsContact C-N 3.31Å; L384-L386 PolarHBondContact O-N 3.32Å
385	H	22.8	Very low	27.8	Very low	195 Å²	195	142 Å²	142	90%	0.903	70%	0.7	S	S	*	*			trans	-83.2	73.7	-167.4	-160.4	65	0	0	0	110.7
386	L	28	Very low	28.1	Very low	139 Å²	139	138.1 Å²	138.1	73%	0.728	69%	0.691	S	S	*	*			trans	-83	119.8	174.6	-83.6	164.2	0	0	0	110.7	L384 K388	L384-L386 VanDerWaalsContact C-N 3.31Å; L384-L386 PolarHBondContact O-N 3.32Å; L386-K388 PolarHBondContact O-N 3.14Å
387	D	27.9	Very low	28.6	Very low	71 Å²	71	139 Å²	139	38%	0.38	69%	0.686	S	S	.	*			trans	-53.6	100.7	-177	-174.7	-7.5	0	0	0	112.2	E389 K390 Y391	D387-E389 VanDerWaalsContact C-N 3.25Å; D387-E389 PolarHBondContact O-N 3.17Å; D387-E389 PolarHBondContact OD1-N 3.38Å; D387-K390 HydrophobicContact CB-CB 4.32Å; D387-K390 PolarHBondContact O-N 2.67Å; D387-K390 WeakPolarHBondContact OD2-CD 3.37Å; D387-K390 WeakPolarHBondContact OD2-CG 3.27Å; D387-K390 IonicContact OD2-NZ 3.25Å; D387-K390 PolarHBondContact OD2-NZ 2.79Å; D387-Y391 PolarHBondContact O-N 3.08Å
388	K	30.3	Very low	28.8	Very low	170 Å²	170	135.6 Å²	135.6	74%	0.739	67%	0.668	S	S	*	*	H	α-helix	trans	-61.2	-33.3	-172.3	-76.1	-176.9	176.8	176.7	0	112.7	L386 Y391 N392	L386-K388 PolarHBondContact O-N 3.14Å; K388-Y391 PolarHBondContact O-N 2.89Å; K388-N392 WeakPolarHBondContact O-CB 3.43Å; K388-N392 VanDerWaalsContact O-CG 3.22Å; K388-N392 PolarHBondContact O-N 3.07Å; K388-N392 PolarHBondContact O-ND2 3Å
389	E	29.1	Very low	29	Very low	142 Å²	142	136 Å²	136	66%	0.664	67%	0.667	S	S	*	*	H	α-helix	trans	-73.5	-44.8	-177.7	-61.7	-167.4	155.5	0	0	110.7	D387 Y391 N392 Q393	D387-E389 VanDerWaalsContact C-N 3.25Å; D387-E389 PolarHBondContact O-N 3.17Å; D387-E389 PolarHBondContact OD1-N 3.38Å; E389-Y391 VanDerWaalsContact C-N 3.3Å; E389-Y391 PolarHBondContact O-N 2.97Å; E389-N392 PolarHBondContact O-N 3.14Å; E389-Q393 WeakPolarHBondContact O-CB 3.42Å; E389-Q393 WeakPolarHBondContact O-CG 3.35Å; E389-Q393 PolarHBondContact O-N 2.9Å
390	K	36.9	Very low	29.1	Very low	135 Å²	135	134.3 Å²	134.3	59%	0.587	66%	0.659	S	S	*	*	H	α-helix	trans	-61.2	-37.5	171.9	-74.5	-168.7	-172.6	78.9	0	112.7	D387 K394	D387-K390 HydrophobicContact CB-CB 4.32Å; D387-K390 PolarHBondContact O-N 2.67Å; D387-K390 WeakPolarHBondContact OD2-CD 3.37Å; D387-K390 WeakPolarHBondContact OD2-CG 3.27Å; D387-K390 IonicContact OD2-NZ 3.25Å; D387-K390 PolarHBondContact OD2-NZ 2.79Å; K390-K394 VanDerWaalsContact O-CB 3.29Å; K390-K394 WeakPolarHBondContact O-CB 3.42Å; K390-K394 PolarHBondContact O-N 2.95Å; K390-K394 VanDerWaalsContact O-N 3.07Å
391	Y	30.2	Very low	29.5	Very low	155 Å²	155	133 Å²	133	61%	0.608	65%	0.652	S	S	*	*	H	α-helix	trans	-65.5	-46.6	176.9	-171	-101.1	0	0	0	111.8	D387 K388 E389 K394 I395	D387-Y391 PolarHBondContact O-N 3.08Å; K388-Y391 PolarHBondContact O-N 2.89Å; E389-Y391 VanDerWaalsContact C-N 3.3Å; E389-Y391 PolarHBondContact O-N 2.97Å; Y391-K394 PolarHBondContact O-N 3.17Å; Y391-I395 HydrophobicContact CD1-CD1 3.89Å; Y391-I395 HydrophobicContact CE1-CD1 3.34Å; Y391-I395 HydrophobicContact CE1-CG1 4.36Å; Y391-I395 PolarHBondContact O-N 3.12Å
392	N	30.8	Very low	29.6	Very low	91 Å²	91	133.3 Å²	133.3	49%	0.487	65%	0.645	S	S	.	*	H	α-helix	trans	-67.5	-41.4	178.6	-70.8	-12.2	0	0	0	112.4	K388 E389 K394 I395 N396	K388-N392 WeakPolarHBondContact O-CB 3.43Å; K388-N392 VanDerWaalsContact O-CG 3.22Å; K388-N392 PolarHBondContact O-N 3.07Å; K388-N392 PolarHBondContact O-ND2 3Å; E389-N392 PolarHBondContact O-N 3.14Å; N392-K394 VanDerWaalsContact C-N 3.29Å; N392-K394 PolarHBondContact O-N 2.8Å; N392-I395 PolarHBondContact O-N 3.4Å; N392-N396 VanDerWaalsContact O-CG 3.26Å; N392-N396 PolarHBondContact O-N 2.97Å; N392-N396 PolarHBondContact O-OD1 3.02Å
393	Q	36.4	Very low	29.6	Very low	123 Å²	123	133.3 Å²	133.3	58%	0.575	64%	0.644	S	S	*	*	H	α-helix	trans	-57.5	-42.7	172.9	-74.3	168.7	3	0	0	111.5	E389 N396 H397	E389-Q393 WeakPolarHBondContact O-CB 3.42Å; E389-Q393 WeakPolarHBondContact O-CG 3.35Å; E389-Q393 PolarHBondContact O-N 2.9Å; Q393-N396 PolarHBondContact O-N 3.11Å; Q393-H397 WeakPolarHBondContact O-CB 3.35Å; Q393-H397 PolarHBondContact O-N 2.83Å
394	K	36.5	Very low	29.7	Very low	159 Å²	159	132.6 Å²	132.6	69%	0.691	64%	0.638	S	S	*	*	H	α-helix	trans	-71	-29.1	179.5	-159.8	167.7	-170.2	171.6	0	113.2	K390 Y391 N392 L398	K390-K394 VanDerWaalsContact O-CB 3.29Å; K390-K394 WeakPolarHBondContact O-CB 3.42Å; K390-K394 PolarHBondContact O-N 2.95Å; K390-K394 VanDerWaalsContact O-N 3.07Å; Y391-K394 PolarHBondContact O-N 3.17Å; N392-K394 VanDerWaalsContact C-N 3.29Å; N392-K394 PolarHBondContact O-N 2.8Å; K394-L398 WeakPolarHBondContact O-CD1 3.46Å; K394-L398 WeakPolarHBondContact O-CG 3.45Å; K394-L398 PolarHBondContact O-N 3.32Å
395	I	34.8	Very low	29.5	Very low	67 Å²	67	132.6 Å²	132.6	34%	0.344	64%	0.638	S	S	.	*	H	α-helix	trans	-71.8	-46.3	169.8	-75.6	179.6	0	0	0	111.2	Y391 N392 H397 L398 M399	Y391-I395 HydrophobicContact CD1-CD1 3.89Å; Y391-I395 HydrophobicContact CE1-CD1 3.34Å; Y391-I395 HydrophobicContact CE1-CG1 4.36Å; Y391-I395 PolarHBondContact O-N 3.12Å; N392-I395 PolarHBondContact O-N 3.4Å; I395-H397 PolarHBondContact O-N 2.8Å; I395-L398 WeakPolarHBondContact O-CA 3.25Å; I395-L398 WeakPolarHBondContact O-CB 3.49Å; I395-L398 PolarHBondContact O-N 2.96Å; I395-M399 HydrophobicContact CG2-CG 4.23Å; I395-M399 WeakPolarHBondContact O-CG 3.37Å; I395-M399 PolarHBondContact O-N 2.89Å
396	N	31.9	Very low	29.7	Very low	97 Å²	97	132.5 Å²	132.5	52%	0.519	64%	0.635	S	S	.	*	H	α-helix	trans	-59.8	-46.8	-179.9	-67.6	-9.4	0	0	0	111.1	N392 Q393 L398 M399 D400	N392-N396 VanDerWaalsContact O-CG 3.26Å; N392-N396 PolarHBondContact O-N 2.97Å; N392-N396 PolarHBondContact O-OD1 3.02Å; Q393-N396 PolarHBondContact O-N 3.11Å; N396-L398 PolarHBondContact O-N 3.08Å; N396-L398 VanDerWaalsContact O-N 3.16Å; N396-M399 WeakPolarHBondContact O-CB 3.33Å; N396-M399 PolarHBondContact O-N 2.72Å; N396-D400 PolarHBondContact O-N 3.39Å
397	H	34.4	Very low	29.5	Very low	134 Å²	134	133.8 Å²	133.8	62%	0.62	64%	0.637	S	S	*	*	H	α-helix	trans	-64.1	-19.9	176.4	-159.4	-40.5	0	0	0	113.5	Q393 I395 N401	Q393-H397 WeakPolarHBondContact O-CB 3.35Å; Q393-H397 PolarHBondContact O-N 2.83Å; I395-H397 PolarHBondContact O-N 2.8Å; H397-N401 PolarHBondContact O-ND2 3.42Å
398	L	28.9	Very low	29.3	Very low	111 Å²	111	135.8 Å²	135.8	58%	0.581	65%	0.648	S	S	*	*	H	α-helix	trans	-82.5	-36.7	169.3	-83.6	165.9	0	0	0	112.4	K394 I395 N396 I402	K394-L398 WeakPolarHBondContact O-CD1 3.46Å; K394-L398 WeakPolarHBondContact O-CG 3.45Å; K394-L398 PolarHBondContact O-N 3.32Å; I395-L398 WeakPolarHBondContact O-CA 3.25Å; I395-L398 WeakPolarHBondContact O-CB 3.49Å; I395-L398 PolarHBondContact O-N 2.96Å; N396-L398 PolarHBondContact O-N 3.08Å; N396-L398 VanDerWaalsContact O-N 3.16Å; L398-I402 WeakPolarHBondContact O-CG1 3.47Å
399	M	26.6	Very low	29	Very low	130 Å²	130	133.9 Å²	133.9	64%	0.64	65%	0.651	S	S	*	*	H	α-helix	trans	-66.4	-40.9	178.1	-68.8	-70.6	-71.5	0	0	112.3	I395 N396 N401 I402	I395-M399 HydrophobicContact CG2-CG 4.23Å; I395-M399 WeakPolarHBondContact O-CG 3.37Å; I395-M399 PolarHBondContact O-N 2.89Å; N396-M399 WeakPolarHBondContact O-CB 3.33Å; N396-M399 PolarHBondContact O-N 2.72Å; M399-N401 PolarHBondContact O-N 3.3Å; M399-N401 VanDerWaalsContact O-N 3.16Å; M399-I402 PolarHBondContact O-N 3.08Å; M399-I402 VanDerWaalsContact O-N 3.12Å
400	D	28.3	Very low	28.7	Very low	135 Å²	135	131.8 Å²	131.8	72%	0.722	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-20.9	-178.2	-66.7	-35.5	0	0	0	113.7	N396	N396-D400 PolarHBondContact O-N 3.39Å
401	N	29.5	Very low	28.1	Very low	120 Å²	120	132.2 Å²	132.2	64%	0.642	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-4.7	179	-76.9	-75.3	0	0	0	113.9	H397 M399	H397-N401 PolarHBondContact O-ND2 3.42Å; M399-N401 PolarHBondContact O-N 3.3Å; M399-N401 VanDerWaalsContact O-N 3.16Å
402	I	24.8	Very low	27.8	Very low	106 Å²	106	135.5 Å²	135.5	54%	0.544	67%	0.672	S	S	.	*			trans	-110.8	81.6	-172.3	-60.1	175.8	0	0	0	110.5	L398 M399 M404	L398-I402 WeakPolarHBondContact O-CG1 3.47Å; M399-I402 PolarHBondContact O-N 3.08Å; M399-I402 VanDerWaalsContact O-N 3.12Å; I402-M404 VanDerWaalsContact C-N 3.35Å; I402-M404 HydrophobicContact CG2-CB 4.08Å; I402-M404 HydrophobicContact CG2-CG 3.39Å; I402-M404 PolarHBondContact O-N 3.32Å
403	K	24.3	Very low	27.3	Very low	204 Å²	204	138.7 Å²	138.7	89%	0.887	69%	0.686	S	S	*	*			trans	-71	88.6	163.9	-75.9	-178.3	179	175.2	0	109.7
404	M	23.9	Very low	26.8	Very low	148 Å²	148	140.6 Å²	140.6	73%	0.729	70%	0.698	S	S	*	*			trans	-112.3	146.1	174.4	-78.8	-75.5	103.5	0	0	112.2	I402	I402-M404 VanDerWaalsContact C-N 3.35Å; I402-M404 HydrophobicContact CG2-CB 4.08Å; I402-M404 HydrophobicContact CG2-CG 3.39Å; I402-M404 PolarHBondContact O-N 3.32Å
405	D	24	Very low	26.3	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	70%	0.699	S	S	*	*			trans	-71.1	149.5	-168.3	-78.3	-58.3	0	0	0	115	H407	D405-H407 PolarHBondContact O-N 3.3Å
406	K	25.3	Very low	25.7	Very low	194 Å²	194	143.4 Å²	143.4	84%	0.843	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	27.1	-162.3	-64	-179	174.1	176.4	0	116.5
407	H	25.1	Very low	25.4	Very low	166 Å²	166	148 Å²	148	77%	0.769	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-11.1	-162.6	-108.8	-60.1	0	0	0	120.1	D405	D405-H407 PolarHBondContact O-N 3.3Å
408	D	24.2	Very low	24.8	Very low	112 Å²	112	149 Å²	149	60%	0.599	74%	0.737	S	S	*	*			trans	-122.6	21.1	176.8	-108	-35.2	0	0	0	114.1	S410 R614	D408-S410 VanDerWaalsContact C-N 3.33Å; D408-S410 PolarHBondContact O-N 3.12Å; D408-R614 IonicContact OD1-NH2 2.73Å; D408-R614 PolarHBondContact OD1-NH2 3.01Å; D408-R614 IonicContact OD2-NH2 3.33Å; D408-R614 PolarHBondContact OD2-NH2 3.12Å; D408-R614 VanDerWaalsContact OD2-NH2 3.16Å
409	T	23.4	Very low	24.7	Very low	131 Å²	131	152.8 Å²	152.8	80%	0.804	75%	0.748	S	S	*	*			trans	-69.2	75.9	176.4	38.9	0	0	0	0	113.4
410	S	23.4	Very low	24.6	Very low	97 Å²	97	155.6 Å²	155.6	68%	0.678	76%	0.757	S	S	*	*			trans	-135.8	5.6	179.9	59.6	0	0	0	0	116.1	D408	D408-S410 VanDerWaalsContact C-N 3.33Å; D408-S410 PolarHBondContact O-N 3.12Å
411	I	24.2	Very low	24.4	Very low	145 Å²	145	155.9 Å²	155.9	74%	0.744	77%	0.768	S	S	*	*	S	Bend	trans	-120.8	-22.5	-175.8	-65	-176.4	0	0	0	114.3
412	Y	22.3	Very low	24	Very low	223 Å²	223	154.8 Å²	154.8	88%	0.875	77%	0.77	S	S	*	*			trans	-126.9	92.9	178.4	-81.2	-90.5	0	0	0	113
413	M	22.2	Very low	24.1	Very low	158 Å²	158	157.2 Å²	157.2	78%	0.778	78%	0.784	S	S	*	*			trans	-151.8	93.1	151.9	-86.5	-152.3	-68.9	0	0	109.8
414	I	24.5	Very low	24.1	Very low	163 Å²	163	157.1 Å²	157.1	84%	0.836	78%	0.784	S	S	*	*			trans	-104.1	105.5	143.9	-63.8	177.5	0	0	0	104
415	K	25.8	Very low	24.1	Very low	166 Å²	166	158.7 Å²	158.7	72%	0.722	79%	0.789	S	S	*	*			trans	-78.3	133.5	167.9	-74.5	-174.4	173.2	-175.1	0	107.7	E417	K415-E417 PolarHBondContact O-N 3.12Å
416	N	23.1	Very low	24	Very low	119 Å²	119	155.9 Å²	155.9	64%	0.636	78%	0.782	S	S	*	*			trans	-65.6	126.9	159.1	-74.9	10.5	0	0	0	107.8	E418	N416-E418 VanDerWaalsContact C-N 3.34Å; N416-E418 HydrophobicContact CB-CG 4.29Å; N416-E418 PolarHBondContact ND2-OE1 3.25Å; N416-E418 PolarHBondContact O-N 3.43Å
417	E	25.2	Very low	23.9	Very low	194 Å²	194	153 Å²	153	91%	0.907	78%	0.776	S	S	*	*			trans	-94.4	72.6	160.9	-67.8	-159.3	134.1	0	0	109.1	K415 K419	K415-E417 PolarHBondContact O-N 3.12Å; E417-K419 PolarHBondContact O-N 2.93Å
418	E	22	Very low	23.8	Very low	155 Å²	155	152.5 Å²	152.5	72%	0.724	77%	0.774	S	S	*	*			trans	-76.6	104.8	167	-79.6	166.3	-142.6	0	0	109.3	N416	N416-E418 VanDerWaalsContact C-N 3.34Å; N416-E418 HydrophobicContact CB-CG 4.29Å; N416-E418 PolarHBondContact ND2-OE1 3.25Å; N416-E418 PolarHBondContact O-N 3.43Å
419	K	26.3	Very low	23.8	Very low	190 Å²	190	154 Å²	154	83%	0.826	78%	0.782	S	S	*	*			trans	-133.8	100.3	166.3	-87.3	-172.8	177	174.8	0	112.1	E417	E417-K419 PolarHBondContact O-N 2.93Å
420	K	25.7	Very low	23.8	Very low	189 Å²	189	156.1 Å²	156.1	82%	0.822	78%	0.782	S	S	*	*			trans	52.3	88.1	143.7	-57.7	-171.7	175.1	-167.3	0	117.5
421	C	22.9	Very low	23.9	Very low	142 Å²	142	159 Å²	159	96%	0.959	79%	0.789	S	S	*	*			trans	-113.2	70.4	146	-73.1	0	0	0	0	109
422	S	22.5	Very low	23.8	Very low	96 Å²	96	156.6 Å²	156.6	67%	0.671	78%	0.783	S	S	*	*			trans	-148.3	76.5	179.6	38.1	0	0	0	0	111.2
423	N	26	Very low	23.8	Very low	158 Å²	158	152.6 Å²	152.6	85%	0.845	78%	0.775	S	S	*	*			trans	-164.5	107	145.9	-91	-11.2	0	0	0	103.8
424	F	23.1	Very low	23.7	Very low	201 Å²	201	151.8 Å²	151.8	88%	0.882	77%	0.774	S	S	*	*				58.6	137.3	75.5	-103.7	-85.2	0	0	0	114.4
425	Q	24.4	Very low	23.6	Very low	181 Å²	181	149 Å²	149	85%	0.846	77%	0.769	S	S	*	*			trans	73.3	127.7	-175.9	-56.8	176.1	-64.1	0	0	114.8
426	S	22.5	Very low	23.5	Very low	93 Å²	93	147 Å²	147	65%	0.65	78%	0.775	S	S	*	*			cis	162.7	114.4	-23.7	40.2	0	0	0	0	104.7
427	N	23.1	Very low	23.4	Very low	134 Å²	134	146.2 Å²	146.2	72%	0.717	78%	0.779	S	S	*	*			trans	170.7	121.6	151.1	-87.6	2.3	0	0	0	104.8
428	Q	23.3	Very low	23.3	Very low	155 Å²	155	144.7 Å²	144.7	72%	0.724	77%	0.772	S	S	*	*				62.8	106	91.5	-70.1	176.1	-34.5	0	0	109.5
429	D	23.2	Very low	23.4	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	77%	0.77	S	S	*	*			cis	-142.3	166.5	23.4	-71.9	-53.8	0	0	0	116.2
430	E	24.8	Very low	23.1	Very low	175 Å²	175	145.6 Å²	145.6	82%	0.818	77%	0.768	S	S	*	*			trans	44.3	107	163	-64	-175.7	172.2	0	0	119.8
431	L	24.7	Very low	22.9	Very low	158 Å²	158	142.7 Å²	142.7	83%	0.827	76%	0.76	S	S	*	*				100.4	147	59.4	-80	-179.7	0	0	0	112.8
432	P	22.4	Very low	22.7	Very low	95 Å²	95	142 Å²	142	62%	0.617	75%	0.745	S	S	*	*				-149.9	-173.3	-120.9	43.1	-21	0	0	0	118.3
433	I	21.8	Very low	22.7	Very low	138 Å²	138	146.5 Å²	146.5	71%	0.708	75%	0.753	S	S	*	*			trans	63.5	109	137.4	-78.2	162.7	0	0	0	120.5
434	N	21.4	Very low	22.6	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	75%	0.748	S	S	*	*				71.1	168.7	130	-67	-11.8	0	0	0	124.1
435	S	22.5	Very low	22.4	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	75%	0.745	S	S	*	*			trans	76.7	127.5	170.3	16.6	0	0	0	0	116.1
436	C	22.1	Very low	22.2	Very low	124 Å²	124	145.2 Å²	145.2	84%	0.838	75%	0.75	S	S	*	*				68.3	131.4	50.5	-67.1	0	0	0	0	112.4
437	S	21.8	Very low	22.1	Very low	103 Å²	103	146 Å²	146	72%	0.72	76%	0.755	S	S	*	*			cis	-165.9	-158.6	3.7	49.2	0	0	0	0	111.3
438	E	23.4	Very low	21.9	Very low	162 Å²	162	144.5 Å²	144.5	76%	0.757	76%	0.755	S	S	*	*			trans	102	154.7	165.5	-55.5	-160.5	143.1	0	0	117.3
439	K	23.5	Very low	21.9	Very low	157 Å²	157	144.3 Å²	144.3	68%	0.683	76%	0.759	S	S	*	*			cis	173.1	165.1	-47.8	-106.4	-179.4	177.8	176.3	0	107.6
440	W	19.4	Very low	21.9	Very low	208 Å²	208	144.6 Å²	144.6	79%	0.788	76%	0.759	S	S	*	*			trans	70.3	159.3	165.1	-49.8	118.5	0	0	0	116.1
441	I	21.6	Very low	21.7	Very low	128 Å²	128	143.6 Å²	143.6	66%	0.656	76%	0.759	S	S	*	*			cis	-149	142	-4.7	-130.5	159.3	0	0	0	113.5
442	I	20.4	Very low	21.7	Very low	126 Å²	126	140.3 Å²	140.3	65%	0.646	75%	0.749	S	S	*	*			trans	24.6	131.9	147	-57.1	165.4	0	0	0	121.6
443	F	22.5	Very low	21.8	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.842	76%	0.759	S	S	*	*				-147.4	165.1	126.1	-123	-83.9	0	0	0	113.4
444	Q	22	Very low	21.9	Very low	156 Å²	156	147 Å²	147	73%	0.729	77%	0.766	S	S	*	*			trans	-95.9	175.8	-149	-63.3	173.7	-23.6	0	0	117.4
445	N	18.8	Very low	22.2	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	75%	0.748	S	S	*	*			trans	-54.8	139.8	164.7	-59.7	-44.1	0	0	0	112.9
446	Q	21.9	Very low	22.3	Very low	200 Å²	200	141.8 Å²	141.8	94%	0.935	73%	0.734	S	S	*	*			trans	-138.7	150.5	136.6	-74.4	-161.4	-10.2	0	0	110
447	S	18.8	Very low	22.4	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	73%	0.728	S	S	*	*			trans	-129.9	158.5	179.8	54.5	0	0	0	0	110.4
448	S	20.6	Very low	22.5	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	72%	0.716	S	S	*	*			trans	70.6	144.1	-178.4	77.9	0	0	0	0	116.7
449	N	21.9	Very low	22.7	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	70%	0.703	S	S	*	*			trans	65.4	136.2	-176.5	-48.5	-39.5	0	0	0	113.4
450	I	23.5	Very low	22.8	Very low	149 Å²	149	136.9 Å²	136.9	76%	0.764	70%	0.696	S	S	*	*			cis	-125.9	154.7	26.5	-72.1	165.1	0	0	0	112.6	S452	I450-S452 PolarHBondContact O-N 2.88Å
451	L	21.6	Very low	23.1	Very low	154 Å²	154	131.6 Å²	131.6	81%	0.806	68%	0.682	S	S	*	*			trans	-92.1	74.1	178.7	-88	154.9	0	0	0	113.5
452	S	23	Very low	23.3	Very low	90 Å²	90	129.5 Å²	129.5	63%	0.629	67%	0.672	S	S	*	*			trans	-167.8	130.4	164	49.5	0	0	0	0	108	I450	I450-S452 PolarHBondContact O-N 2.88Å
453	E	25.3	Very low	23.7	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	66%	0.663	S	S	*	*			cis	-130.3	118.7	28.5	-61.7	162.9	126.7	0	0	112.5	S455	E453-S455 PolarHBondContact O-N 3.39Å
454	K	24.5	Very low	23.9	Very low	199 Å²	199	121.6 Å²	121.6	87%	0.865	64%	0.64	S	S	*	*			trans	-91.2	68.3	177	-79.9	-176.1	175	175.3	0	112.3
455	S	26.2	Very low	24	Very low	52 Å²	52	117.9 Å²	117.9	36%	0.364	63%	0.626	S	S	.	*	S	Bend	trans	-132.5	-46.1	178.1	52.6	0	0	0	0	114.3	E453 K459	E453-S455 PolarHBondContact O-N 3.39Å; S455-K459 WeakPolarHBondContact O-CE 3.25Å
456	D	25.5	Very low	24.5	Very low	82 Å²	82	117 Å²	117	44%	0.439	61%	0.614	S	S	.	*	H	α-helix	trans	-104.4	-27	-161.1	-74	-86.6	0	0	0	115	S458 K459 L460	D456-S458 PolarHBondContact O-N 3.48Å; D456-K459 VanDerWaalsContact CG-NZ 3.32Å; D456-K459 WeakPolarHBondContact O-CB 3.37Å; D456-K459 PolarHBondContact O-N 3.24Å; D456-K459 VanDerWaalsContact OD1-CD 3.3Å; D456-K459 WeakPolarHBondContact OD1-CD 3.47Å; D456-K459 WeakPolarHBondContact OD1-CE 3.47Å; D456-K459 IonicContact OD1-NZ 3.27Å; D456-K459 PolarHBondContact OD1-NZ 3.2Å; D456-K459 IonicContact OD2-NZ 3.16Å; D456-K459 PolarHBondContact OD2-NZ 3.22Å; D456-L460 PolarHBondContact O-N 2.96Å
457	F	23.9	Very low	24.8	Very low	161 Å²	161	112.1 Å²	112.1	71%	0.706	59%	0.594	S	S	*	*	H	α-helix	trans	-60.6	-32.1	167.4	-104.6	-90.7	0	0	0	112.4	K459 L460 I461	F457-K459 VanDerWaalsContact C-N 3.33Å; F457-K459 PolarHBondContact O-N 3.4Å; F457-L460 PolarHBondContact O-N 2.98Å; F457-I461 WeakPolarHBondContact O-CG1 3.44Å; F457-I461 PolarHBondContact O-N 3.35Å
458	S	24.1	Very low	25.1	Very low	69 Å²	69	111.3 Å²	111.3	48%	0.483	58%	0.581	S	S	.	*	H	α-helix	trans	-61.2	-40.5	170.8	-179.9	0	0	0	0	111.8	D456 N462	D456-S458 PolarHBondContact O-N 3.48Å; S458-N462 WeakPolarHBondContact O-CB 3.36Å; S458-N462 PolarHBondContact O-N 2.97Å; S458-N462 PolarHBondContact O-ND2 3.02Å; S458-N462 PolarHBondContact OG-ND2 2.83Å
459	K	27	Very low	25.4	Very low	112 Å²	112	109.6 Å²	109.6	49%	0.487	57%	0.566	S	S	.	*	H	α-helix	trans	-69.5	-38.6	179.1	-58.1	174	-159.1	160.2	0	111.4	S455 D456 F457 N462 N463	S455-K459 WeakPolarHBondContact O-CE 3.25Å; D456-K459 VanDerWaalsContact CG-NZ 3.32Å; D456-K459 WeakPolarHBondContact O-CB 3.37Å; D456-K459 PolarHBondContact O-N 3.24Å; D456-K459 VanDerWaalsContact OD1-CD 3.3Å; D456-K459 WeakPolarHBondContact OD1-CD 3.47Å; D456-K459 WeakPolarHBondContact OD1-CE 3.47Å; D456-K459 IonicContact OD1-NZ 3.27Å; D456-K459 PolarHBondContact OD1-NZ 3.2Å; D456-K459 IonicContact OD2-NZ 3.16Å; D456-K459 PolarHBondContact OD2-NZ 3.22Å; F457-K459 VanDerWaalsContact C-N 3.33Å; F457-K459 PolarHBondContact O-N 3.4Å; K459-N462 PolarHBondContact O-N 3.11Å; K459-N463 WeakPolarHBondContact O-CB 3.46Å; K459-N463 VanDerWaalsContact O-CG 3.3Å; K459-N463 PolarHBondContact O-N 2.88Å
460	L	25.7	Very low	25.6	Very low	101 Å²	101	109.2 Å²	109.2	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-66.8	-44.5	175.2	-82.2	163	0	0	0	112.7	D456 F457 N463 N464	D456-L460 PolarHBondContact O-N 2.96Å; F457-L460 PolarHBondContact O-N 2.98Å; L460-N463 PolarHBondContact O-N 3.3Å; L460-N464 PolarHBondContact O-N 3.23Å
461	I	25.8	Very low	25.7	Very low	97 Å²	97	106.6 Å²	106.6	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-64.6	-41.6	174.4	-67.3	169.7	0	0	0	110.3	F457 N463 N464 N465	F457-I461 WeakPolarHBondContact O-CG1 3.44Å; F457-I461 PolarHBondContact O-N 3.35Å; I461-N463 VanDerWaalsContact C-N 3.32Å; I461-N463 PolarHBondContact O-N 3.08Å; I461-N464 PolarHBondContact O-N 3.49Å; I461-N465 WeakPolarHBondContact O-CB 3.31Å; I461-N465 VanDerWaalsContact O-CG 3.27Å; I461-N465 PolarHBondContact O-N 3.12Å; I461-N465 PolarHBondContact O-ND2 3.35Å
462	N	27	Very low	25.9	Very low	84 Å²	84	104.2 Å²	104.2	45%	0.449	53%	0.527	S	S	.	.	H	α-helix	trans	-68	-26.5	174.8	-78.6	-50.3	0	0	0	113.8	S458 K459 K466	S458-N462 WeakPolarHBondContact O-CB 3.36Å; S458-N462 PolarHBondContact O-N 2.97Å; S458-N462 PolarHBondContact O-ND2 3.02Å; S458-N462 PolarHBondContact OG-ND2 2.83Å; K459-N462 PolarHBondContact O-N 3.11Å; N462-K466 WeakPolarHBondContact O-CB 3.33Å; N462-K466 WeakPolarHBondContact O-CG 3.24Å; N462-K466 PolarHBondContact O-N 3.07Å
463	N	27.5	Very low	26	Very low	83 Å²	83	105.3 Å²	105.3	44%	0.444	52%	0.522	S	S	.	.	H	α-helix	trans	-76.8	-40.3	172.7	-80.4	-18.5	0	0	0	112.1	K459 L460 I461 N465 K466 I467	K459-N463 WeakPolarHBondContact O-CB 3.46Å; K459-N463 VanDerWaalsContact O-CG 3.3Å; K459-N463 PolarHBondContact O-N 2.88Å; L460-N463 PolarHBondContact O-N 3.3Å; I461-N463 VanDerWaalsContact C-N 3.32Å; I461-N463 PolarHBondContact O-N 3.08Å; N463-N465 VanDerWaalsContact C-N 3.29Å; N463-N465 PolarHBondContact O-N 2.85Å; N463-K466 CarbonylContact O-C 3.58Å; N463-K466 PolarHBondContact O-N 3Å; N463-K466 VanDerWaalsContact O-N 3.12Å; N463-I467 WeakPolarHBondContact O-CG1 3.39Å; N463-I467 PolarHBondContact O-N 3Å
464	N	26.4	Very low	26	Very low	70 Å²	70	100.9 Å²	100.9	37%	0.374	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-36.6	169.2	-80.7	-31.5	0	0	0	111.6	L460 I461 I467 N468	L460-N464 PolarHBondContact O-N 3.23Å; I461-N464 PolarHBondContact O-N 3.49Å; N464-I467 PolarHBondContact O-N 3.39Å; N464-N468 WeakPolarHBondContact O-CB 3.3Å; N464-N468 PolarHBondContact O-N 3.41Å
465	N	25.3	Very low	26.2	Very low	78 Å²	78	97.8 Å²	97.8	42%	0.417	49%	0.491	S	S	.	.	H	α-helix	trans	-66.8	-35.8	169.8	-72.1	-17.9	0	0	0	112.1	I461 N463 N468 T469	I461-N465 WeakPolarHBondContact O-CB 3.31Å; I461-N465 VanDerWaalsContact O-CG 3.27Å; I461-N465 PolarHBondContact O-N 3.12Å; I461-N465 PolarHBondContact O-ND2 3.35Å; N463-N465 VanDerWaalsContact C-N 3.29Å; N463-N465 PolarHBondContact O-N 2.85Å; N465-N468 CarbonylContact O-C 3.59Å; N465-N468 PolarHBondContact O-N 3.18Å; N465-T469 WeakPolarHBondContact O-CB 3.49Å; N465-T469 VanDerWaalsContact O-CG2 3.31Å; N465-T469 WeakPolarHBondContact O-CG2 3.46Å; N465-T469 PolarHBondContact O-N 2.85Å; N465-T469 PolarHBondContact O-OG1 2.92Å; N465-T469 VanDerWaalsContact O-OG1 3.07Å
466	K	28.7	Very low	26.1	Very low	138 Å²	138	98 Å²	98	60%	0.6	49%	0.493	S	S	*	.	H	α-helix	trans	-66.9	-33.8	171.5	-84.6	177.8	175.7	176.5	0	113.3	N462 N463 T469 K470	N462-K466 WeakPolarHBondContact O-CB 3.33Å; N462-K466 WeakPolarHBondContact O-CG 3.24Å; N462-K466 PolarHBondContact O-N 3.07Å; N463-K466 CarbonylContact O-C 3.58Å; N463-K466 PolarHBondContact O-N 3Å; N463-K466 VanDerWaalsContact O-N 3.12Å; K466-T469 WeakPolarHBondContact CA-OG1 3.3Å; K466-T469 PolarHBondContact O-OG1 3.03Å; K466-K470 WeakPolarHBondContact O-CB 3.46Å; K466-K470 WeakPolarHBondContact O-CG 3.31Å; K466-K470 PolarHBondContact O-N 3.02Å
467	I	29	Very low	26.1	Very low	97 Å²	97	100.8 Å²	100.8	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-70.3	-45.3	173.7	-68.2	164.2	0	0	0	109.6	N463 N464 K470 F471	N463-I467 WeakPolarHBondContact O-CG1 3.39Å; N463-I467 PolarHBondContact O-N 3Å; N464-I467 PolarHBondContact O-N 3.39Å; I467-K470 PolarHBondContact O-N 3.2Å; I467-F471 HydrophobicContact CG2-CD2 4.5Å; I467-F471 PolarHBondContact O-N 3.36Å
468	N	25.6	Very low	26.2	Very low	92 Å²	92	97.7 Å²	97.7	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-39.4	173	-85.3	-30.6	0	0	0	112.6	N464 N465 F471 I472	N464-N468 WeakPolarHBondContact O-CB 3.3Å; N464-N468 PolarHBondContact O-N 3.41Å; N465-N468 CarbonylContact O-C 3.59Å; N465-N468 PolarHBondContact O-N 3.18Å; N468-F471 CarbonylContact O-C 3.57Å; N468-F471 PolarHBondContact O-N 3.04Å; N468-I472 WeakPolarHBondContact O-CB 3.43Å; N468-I472 WeakPolarHBondContact O-CD1 3.38Å; N468-I472 WeakPolarHBondContact O-CG1 3.48Å; N468-I472 PolarHBondContact O-N 3.47Å
469	T	25.5	Very low	26.2	Very low	67 Å²	67	97.2 Å²	97.2	41%	0.411	49%	0.488	S	S	.	.	H	α-helix	trans	-72.9	-29.6	175.9	57.6	0	0	0	0	112.3	N465 K466 I472 Q473	N465-T469 WeakPolarHBondContact O-CB 3.49Å; N465-T469 VanDerWaalsContact O-CG2 3.31Å; N465-T469 WeakPolarHBondContact O-CG2 3.46Å; N465-T469 PolarHBondContact O-N 2.85Å; N465-T469 PolarHBondContact O-OG1 2.92Å; N465-T469 VanDerWaalsContact O-OG1 3.07Å; K466-T469 WeakPolarHBondContact CA-OG1 3.3Å; K466-T469 PolarHBondContact O-OG1 3.03Å; T469-I472 PolarHBondContact O-N 3.47Å; T469-Q473 VanDerWaalsContact O-CB 3.23Å; T469-Q473 WeakPolarHBondContact O-CB 3.43Å; T469-Q473 WeakPolarHBondContact O-CG 3.49Å; T469-Q473 PolarHBondContact O-N 3.41Å
470	K	26.6	Very low	26.1	Very low	143 Å²	143	99.8 Å²	99.8	62%	0.622	50%	0.495	S	S	*	.	H	α-helix	trans	-65.8	-38.7	165	-80.4	-173.6	173.8	-173.5	0	111.9	K466 I467 Q473 N474	K466-K470 WeakPolarHBondContact O-CB 3.46Å; K466-K470 WeakPolarHBondContact O-CG 3.31Å; K466-K470 PolarHBondContact O-N 3.02Å; I467-K470 PolarHBondContact O-N 3.2Å; K470-Q473 PolarHBondContact O-N 3.38Å; K470-N474 WeakPolarHBondContact O-CB 3.29Å; K470-N474 VanDerWaalsContact O-CG 3.27Å; K470-N474 PolarHBondContact O-N 3.18Å
471	F	25.6	Very low	26	Very low	95 Å²	95	98.7 Å²	98.7	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-34.2	172.1	-102.9	-93	0	0	0	113	I467 N468 N474 K475	I467-F471 HydrophobicContact CG2-CD2 4.5Å; I467-F471 PolarHBondContact O-N 3.36Å; N468-F471 CarbonylContact O-C 3.57Å; N468-F471 PolarHBondContact O-N 3.04Å; F471-N474 CarbonylContact O-C 3.52Å; F471-N474 PolarHBondContact O-N 3.36Å; F471-K475 WeakPolarHBondContact O-CB 2.96Å; F471-K475 PolarHBondContact O-N 3.22Å
472	I	26.3	Very low	25.9	Very low	104 Å²	104	99.4 Å²	99.4	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-77.1	-33.5	176	-67.9	160.6	0	0	0	111.2	N468 T469 N474 K475 S476	N468-I472 WeakPolarHBondContact O-CB 3.43Å; N468-I472 WeakPolarHBondContact O-CD1 3.38Å; N468-I472 WeakPolarHBondContact O-CG1 3.48Å; N468-I472 PolarHBondContact O-N 3.47Å; T469-I472 PolarHBondContact O-N 3.47Å; I472-N474 VanDerWaalsContact C-N 3.33Å; I472-K475 CarbonylContact O-C 3.49Å; I472-K475 WeakPolarHBondContact O-CA 3.43Å; I472-K475 VanDerWaalsContact O-CB 3.26Å; I472-K475 WeakPolarHBondContact O-CB 3.2Å; I472-K475 PolarHBondContact O-N 3.09Å; I472-K475 VanDerWaalsContact O-N 3.14Å; I472-S476 PolarHBondContact O-N 3.3Å
473	Q	25.4	Very low	25.8	Very low	112 Å²	112	100.1 Å²	100.1	52%	0.523	50%	0.504	S	S	.	.	H	α-helix	trans	-68.4	-32.8	168.1	-76.5	172.8	-15.8	0	0	111.4	T469 K470 K475 S476 K477	T469-Q473 VanDerWaalsContact O-CB 3.23Å; T469-Q473 WeakPolarHBondContact O-CB 3.43Å; T469-Q473 WeakPolarHBondContact O-CG 3.49Å; T469-Q473 PolarHBondContact O-N 3.41Å; K470-Q473 PolarHBondContact O-N 3.38Å; Q473-K475 VanDerWaalsContact C-N 3.34Å; Q473-S476 WeakPolarHBondContact CA-OG 3.33Å; Q473-S476 PolarHBondContact O-N 3.08Å; Q473-S476 PolarHBondContact O-OG 3.49Å; Q473-K477 WeakPolarHBondContact O-CB 3.35Å; Q473-K477 VanDerWaalsContact O-CG 3.31Å; Q473-K477 WeakPolarHBondContact O-CG 3.32Å; Q473-K477 PolarHBondContact O-N 3.27Å
474	N	24.9	Very low	25.7	Very low	83 Å²	83	100 Å²	100	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-71	-32.2	167.8	-73.2	-5.3	0	0	0	111.2	K470 F471 I472 K477 L478	K470-N474 WeakPolarHBondContact O-CB 3.29Å; K470-N474 VanDerWaalsContact O-CG 3.27Å; K470-N474 PolarHBondContact O-N 3.18Å; F471-N474 CarbonylContact O-C 3.52Å; F471-N474 PolarHBondContact O-N 3.36Å; I472-N474 VanDerWaalsContact C-N 3.33Å; N474-K477 PolarHBondContact O-N 3.43Å; N474-L478 WeakPolarHBondContact O-CB 3.42Å; N474-L478 VanDerWaalsContact O-CD1 3.25Å; N474-L478 WeakPolarHBondContact O-CD1 3.45Å; N474-L478 PolarHBondContact O-N 2.78Å
475	K	27.8	Very low	25.7	Very low	133 Å²	133	101.5 Å²	101.5	58%	0.578	53%	0.525	S	S	*	.	H	α-helix	trans	-64.8	-39.4	171.6	-151.7	176.3	-173.8	-177.6	0	111.5	F471 I472 Q473 S479	F471-K475 WeakPolarHBondContact O-CB 2.96Å; F471-K475 PolarHBondContact O-N 3.22Å; I472-K475 CarbonylContact O-C 3.49Å; I472-K475 WeakPolarHBondContact O-CA 3.43Å; I472-K475 VanDerWaalsContact O-CB 3.26Å; I472-K475 WeakPolarHBondContact O-CB 3.2Å; I472-K475 PolarHBondContact O-N 3.09Å; I472-K475 VanDerWaalsContact O-N 3.14Å; Q473-K475 VanDerWaalsContact C-N 3.34Å; K475-S479 PolarHBondContact O-N 3.39Å
476	S	25.5	Very low	25.6	Very low	58 Å²	58	103.1 Å²	103.1	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-72.4	-38.7	173.1	65.5	0	0	0	0	112.4	I472 Q473 S479 Y480	I472-S476 PolarHBondContact O-N 3.3Å; Q473-S476 WeakPolarHBondContact CA-OG 3.33Å; Q473-S476 PolarHBondContact O-N 3.08Å; Q473-S476 PolarHBondContact O-OG 3.49Å; S476-S479 WeakPolarHBondContact CA-OG 3.39Å; S476-S479 PolarHBondContact O-N 3.36Å; S476-S479 PolarHBondContact O-OG 3.33Å; S476-Y480 PolarHBondContact O-N 3.13Å
477	K	24.5	Very low	25.4	Very low	139 Å²	139	101.3 Å²	101.3	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-62.2	-43	171.9	-75.1	179.9	175.6	-168.3	0	112.8	Q473 N474 S479 Y480 S481	Q473-K477 WeakPolarHBondContact O-CB 3.35Å; Q473-K477 VanDerWaalsContact O-CG 3.31Å; Q473-K477 WeakPolarHBondContact O-CG 3.32Å; Q473-K477 PolarHBondContact O-N 3.27Å; N474-K477 PolarHBondContact O-N 3.43Å; K477-S479 VanDerWaalsContact C-N 3.32Å; K477-S479 PolarHBondContact O-N 3.06Å; K477-Y480 WeakPolarHBondContact O-CA 3.42Å; K477-Y480 WeakPolarHBondContact O-CB 3.48Å; K477-Y480 PolarHBondContact O-N 2.77Å; K477-S481 PolarHBondContact O-N 2.94Å; K477-S481 PolarHBondContact O-OG 3.46Å
478	L	26.2	Very low	25.1	Very low	97 Å²	97	105.1 Å²	105.1	51%	0.508	55%	0.551	S	S	.	*	H	α-helix	trans	-63.7	-35.9	172.7	-96.2	75.5	0	0	0	112.2	N474 Y480 S481 I482	N474-L478 WeakPolarHBondContact O-CB 3.42Å; N474-L478 VanDerWaalsContact O-CD1 3.25Å; N474-L478 WeakPolarHBondContact O-CD1 3.45Å; N474-L478 PolarHBondContact O-N 2.78Å; L478-Y480 PolarHBondContact O-N 2.78Å; L478-S481 PolarHBondContact O-N 2.87Å; L478-I482 PolarHBondContact O-N 3.29Å
479	S	24.7	Very low	25.1	Very low	58 Å²	58	106.3 Å²	106.3	41%	0.406	56%	0.564	S	S	.	*	H	α-helix	trans	-67.4	-22.9	172.7	72.1	0	0	0	0	113.2	K475 S476 K477 N483	K475-S479 PolarHBondContact O-N 3.39Å; S476-S479 WeakPolarHBondContact CA-OG 3.39Å; S476-S479 PolarHBondContact O-N 3.36Å; S476-S479 PolarHBondContact O-OG 3.33Å; K477-S479 VanDerWaalsContact C-N 3.32Å; K477-S479 PolarHBondContact O-N 3.06Å; S479-N483 PolarHBondContact O-ND2 3.28Å
480	Y	23.5	Very low	24.9	Very low	166 Å²	166	109.2 Å²	109.2	65%	0.651	59%	0.587	S	S	*	*	H	α-helix	trans	-80.3	-43	170.4	-94.9	-90.5	0	0	0	112.6	S476 K477 L478 I482 N483 S484	S476-Y480 PolarHBondContact O-N 3.13Å; K477-Y480 WeakPolarHBondContact O-CA 3.42Å; K477-Y480 WeakPolarHBondContact O-CB 3.48Å; K477-Y480 PolarHBondContact O-N 2.77Å; L478-Y480 PolarHBondContact O-N 2.78Å; Y480-I482 PolarHBondContact O-N 2.97Å; Y480-I482 VanDerWaalsContact O-N 3.14Å; Y480-N483 CarbonylContact O-C 3.48Å; Y480-N483 WeakPolarHBondContact O-CA 3.42Å; Y480-N483 PolarHBondContact O-N 3.48Å; Y480-S484 PolarHBondContact O-N 3.11Å; Y480-S484 PolarHBondContact O-OG 3.45Å; Y480-S484 VanDerWaalsContact O-OG 3.09Å
481	S	24.8	Very low	24.9	Very low	79 Å²	79	106.5 Å²	106.5	55%	0.552	59%	0.586	S	S	*	*	H	α-helix	trans	-60.5	-25.5	178	-59.3	0	0	0	0	114.2	K477 L478	K477-S481 PolarHBondContact O-N 2.94Å; K477-S481 PolarHBondContact O-OG 3.46Å; L478-S481 PolarHBondContact O-N 2.87Å
482	I	24.3	Very low	24.8	Very low	112 Å²	112	107.8 Å²	107.8	57%	0.574	61%	0.607	S	S	*	*	H	α-helix	trans	-78.4	-28.4	173.5	-66.1	172.2	0	0	0	111.7	L478 Y480	L478-I482 PolarHBondContact O-N 3.29Å; Y480-I482 PolarHBondContact O-N 2.97Å; Y480-I482 VanDerWaalsContact O-N 3.14Å
483	N	24.2	Very low	24.8	Very low	99 Å²	99	108.3 Å²	108.3	53%	0.529	62%	0.62	S	S	.	*	H	α-helix	trans	-85.7	-23.5	175.2	-69.9	-23	0	0	0	112.8	S479 Y480 S485 L486	S479-N483 PolarHBondContact O-ND2 3.28Å; Y480-N483 CarbonylContact O-C 3.48Å; Y480-N483 WeakPolarHBondContact O-CA 3.42Å; Y480-N483 PolarHBondContact O-N 3.48Å; N483-S485 PolarHBondContact O-N 3.11Å; N483-S485 VanDerWaalsContact O-N 3.15Å; N483-L486 PolarHBondContact O-N 3.3Å
484	S	25.4	Very low	24.8	Very low	80 Å²	80	108.2 Å²	108.2	56%	0.559	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-65.2	-11	175.4	-62.8	0	0	0	0	114.2	Y480 L486	Y480-S484 PolarHBondContact O-N 3.11Å; Y480-S484 PolarHBondContact O-OG 3.45Å; Y480-S484 VanDerWaalsContact O-OG 3.09Å; S484-L486 VanDerWaalsContact C-N 3.27Å
485	S	26.3	Very low	24.8	Very low	101 Å²	101	110.3 Å²	110.3	71%	0.706	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-82.6	0.7	169.9	-50.9	0	0	0	0	113.8	N483	N483-S485 PolarHBondContact O-N 3.11Å; N483-S485 VanDerWaalsContact O-N 3.15Å
486	L	23.7	Very low	24.7	Very low	113 Å²	113	108.9 Å²	108.9	59%	0.592	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-120.5	27.6	-174.3	-68.4	168	0	0	0	113.3	N483 S484 F488	N483-L486 PolarHBondContact O-N 3.3Å; S484-L486 VanDerWaalsContact C-N 3.27Å; L486-F488 WeakPolarHBondContact O-CD2 3.39Å; L486-F488 PolarHBondContact O-N 2.9Å; L486-F488 VanDerWaalsContact O-N 3.14Å
487	S	22.9	Very low	24.7	Very low	99 Å²	99	111.2 Å²	111.2	69%	0.692	67%	0.673	S	S	*	*			trans	-76.7	90.2	166.8	56.4	0	0	0	0	110.5	P489	S487-P489 WeakPolarHBondContact O-CD 3.44Å
488	F	23.3	Very low	24.7	Very low	178 Å²	178	110.3 Å²	110.3	78%	0.781	68%	0.684	S	S	*	*			trans	-60.9	124.3	176.4	-76.4	-93.2	0	0	0	111.8	L486 S490	L486-F488 WeakPolarHBondContact O-CD2 3.39Å; L486-F488 PolarHBondContact O-N 2.9Å; L486-F488 VanDerWaalsContact O-N 3.14Å; F488-S490 PolarHBondContact O-N 2.82Å
489	P	25.1	Very low	24.8	Very low	117 Å²	117	113.4 Å²	113.4	76%	0.76	70%	0.7	S	S	*	*			trans	-68.1	127.4	168.8	-17.8	32.3	0	0	0	110.6	S487 S491	S487-P489 WeakPolarHBondContact O-CD 3.44Å; P489-S491 VanDerWaalsContact C-N 3.34Å; P489-S491 PolarHBondContact O-N 3.08Å
490	S	22.2	Very low	25	Very low	127 Å²	127	117.9 Å²	117.9	89%	0.888	72%	0.719	S	S	*	*			trans	-85.2	63.2	-174	58.7	0	0	0	0	113.3	F488	F488-S490 PolarHBondContact O-N 2.82Å
491	S	25.9	Very low	25.3	Very low	86 Å²	86	113.8 Å²	113.8	60%	0.601	71%	0.708	S	S	*	*	S	Bend	trans	-155.6	106	171.5	49.3	0	0	0	0	114.8	P489 S493	P489-S491 VanDerWaalsContact C-N 3.34Å; P489-S491 PolarHBondContact O-N 3.08Å; S491-S493 PolarHBondContact O-N 2.93Å
492	S	23.4	Very low	25.4	Very low	123 Å²	123	113.8 Å²	113.8	86%	0.86	71%	0.706	S	S	*	*			trans	36.8	67	143.6	62.3	0	0	0	0	119.7
493	S	27	Very low	25.6	Very low	115 Å²	115	113.9 Å²	113.9	80%	0.804	70%	0.703	S	S	*	*			trans	-159.5	155.7	143.6	45.5	0	0	0	0	112.3	S491	S491-S493 PolarHBondContact O-N 2.93Å
494	S	25.7	Very low	25.8	Very low	109 Å²	109	114.2 Å²	114.2	76%	0.762	70%	0.697	S	S	*	*			trans	-63.4	130.1	-167.4	47.5	0	0	0	0	114.9
495	P	23.9	Very low	26	Very low	127 Å²	127	115 Å²	115	83%	0.825	69%	0.689	S	S	*	*			trans	-82.3	127.2	177.6	32	-33.7	0	0	0	112.7
496	S	25.4	Very low	26.2	Very low	104 Å²	104	112.6 Å²	112.6	73%	0.727	67%	0.665	S	S	*	*			trans	-116.2	103.2	172.9	56.6	0	0	0	0	112
497	S	25.3	Very low	26.8	Very low	106 Å²	106	113.2 Å²	113.2	74%	0.741	66%	0.662	S	S	*	*			trans	38.5	87.3	150.9	57.2	0	0	0	0	119.1
498	S	25.7	Very low	27.4	Very low	120 Å²	120	112.3 Å²	112.3	84%	0.839	65%	0.65	S	S	*	*			trans	-110	68.7	165.1	49	0	0	0	0	112	L500	S498-L500 PolarHBondContact O-N 2.97Å
499	L	28.4	Very low	27.9	Very low	162 Å²	162	105.8 Å²	105.8	85%	0.848	62%	0.623	S	S	*	*			trans	-72.2	98.6	176.4	-78.5	172.1	0	0	0	111	N501	L499-N501 PolarHBondContact O-N 3.44Å
500	L	29.4	Very low	28.5	Very low	152 Å²	152	106 Å²	106	80%	0.796	61%	0.609	S	S	*	*			trans	-63	106.2	-178.4	-155	78.2	0	0	0	111.1	S498 P502	S498-L500 PolarHBondContact O-N 2.97Å; L500-P502 WeakPolarHBondContact O-CD 3.39Å
501	N	27.9	Very low	29.2	Very low	80 Å²	80	104 Å²	104	43%	0.428	59%	0.586	S	S	.	*			trans	-62.2	120.5	-170.6	-173.9	-31	0	0	0	112.1	L499 F503 Y504	L499-N501 PolarHBondContact O-N 3.44Å; N501-F503 PolarHBondContact O-N 3.11Å; N501-F503 PolarHBondContact OD1-N 3.05Å; N501-F503 VanDerWaalsContact OD1-N 3.1Å; N501-Y504 WeakPolarHBondContact O-CB 3.38Å; N501-Y504 PolarHBondContact O-N 3.08Å
502	P	27.5	Very low	29.7	Very low	80 Å²	80	104.1 Å²	104.1	52%	0.519	57%	0.574	S	S	.	*	H	α-helix	trans	-54.1	-31.4	-176.8	-29.6	36.1	0	0	0	114.9	L500 Y504 Y505 Y506	L500-P502 WeakPolarHBondContact O-CD 3.39Å; P502-Y504 PolarHBondContact O-N 3.36Å; P502-Y505 PolarHBondContact O-N 3.28Å; P502-Y506 HydrophobicContact CB-CD2 4.41Å; P502-Y506 WeakPolarHBondContact O-CD2 3.49Å; P502-Y506 PolarHBondContact O-N 2.85Å
503	F	28.2	Very low	30.3	Very low	114 Å²	114	102.1 Å²	102.1	50%	0.5	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-31.8	177.9	-96.2	-90	0	0	0	113.3	N501 K507	N501-F503 PolarHBondContact O-N 3.11Å; N501-F503 PolarHBondContact OD1-N 3.05Å; N501-F503 VanDerWaalsContact OD1-N 3.1Å; F503-K507 VanDerWaalsContact O-CB 3.3Å; F503-K507 WeakPolarHBondContact O-CB 3.23Å; F503-K507 PolarHBondContact O-N 2.86Å
504	Y	29.6	Very low	30.7	Very low	106 Å²	106	101.5 Å²	101.5	42%	0.416	53%	0.528	S	S	.	.	H	α-helix	trans	-71.5	-43.1	177.8	-158.2	-94.8	0	0	0	110.8	N501 P502 K507 N508	N501-Y504 WeakPolarHBondContact O-CB 3.38Å; N501-Y504 PolarHBondContact O-N 3.08Å; P502-Y504 PolarHBondContact O-N 3.36Å; Y504-K507 PolarHBondContact O-N 3.39Å; Y504-N508 WeakPolarHBondContact CD1-ND2 3.46Å; Y504-N508 WeakPolarHBondContact CE1-ND2 3.32Å; Y504-N508 VanDerWaalsContact O-CG 3.31Å; Y504-N508 PolarHBondContact O-N 3.48Å; Y504-N508 PolarHBondContact O-ND2 3.45Å
505	Y	28.6	Very low	31.2	Very low	96 Å²	96	99.3 Å²	99.3	38%	0.376	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-50	175.9	-170.5	-102.1	0	0	0	111.6	F312 P502 K507 N508 I509	F312-Y505 AromaticContact CE2-CE1 3.81Å; F312-Y505 HydrophobicContact CE2-CE1 3.81Å; P502-Y505 PolarHBondContact O-N 3.28Å; Y505-K507 PolarHBondContact O-N 2.69Å; Y505-N508 PolarHBondContact O-N 3.22Å; Y505-I509 HydrophobicContact CD1-CD1 3.65Å; Y505-I509 HydrophobicContact CD1-CG1 4.49Å; Y505-I509 HydrophobicContact CE1-CD1 3.24Å; Y505-I509 HydrophobicContact CE1-CG1 4.32Å; Y505-I509 WeakPolarHBondContact O-CG1 3.48Å; Y505-I509 PolarHBondContact O-N 2.92Å
506	Y	31.6	Very low	31.8	Very low	51 Å²	51	95 Å²	95	20%	0.2	48%	0.476	C	S	.	.	H	α-helix	trans	-64.2	-35.3	177	-83.4	-73.4	0	0	0	113.5	Y240 S315 P502 I509 Y510	Y240-Y506 AromaticContact CE2-CD1 3.92Å; Y240-Y506 HydrophobicContact CE2-CD1 3.92Å; Y240-Y506 HydrophobicContact CE2-CD2 4.06Å; Y240-Y506 HydrophobicContact CE2-CE1 4.02Å; Y240-Y506 HydrophobicContact CE2-CE2 4.15Å; Y240-Y506 AromaticContact CE2-CG 3.95Å; Y240-Y506 HydrophobicContact CE2-CG 3.95Å; S315-Y506 WeakPolarHBondContact CB-OH 3.39Å; S315-Y506 PolarHBondContact OG-OH 3.14Å; P502-Y506 HydrophobicContact CB-CD2 4.41Å; P502-Y506 WeakPolarHBondContact O-CD2 3.49Å; P502-Y506 PolarHBondContact O-N 2.85Å; Y506-I509 PolarHBondContact O-N 3.01Å; Y506-Y510 PolarHBondContact O-N 3.48Å
507	K	36.6	Very low	32.3	Very low	125 Å²	125	95.5 Å²	95.5	54%	0.543	47%	0.467	S	S	.	.	H	α-helix	trans	-67	-40.8	174.6	-178.5	166.4	-179	177.2	0	111.9	F503 Y504 Y505 I509 Y510 H511	F503-K507 VanDerWaalsContact O-CB 3.3Å; F503-K507 WeakPolarHBondContact O-CB 3.23Å; F503-K507 PolarHBondContact O-N 2.86Å; Y504-K507 PolarHBondContact O-N 3.39Å; Y505-K507 PolarHBondContact O-N 2.69Å; K507-I509 VanDerWaalsContact C-N 3.33Å; K507-Y510 PolarHBondContact O-N 3.32Å; K507-H511 VanDerWaalsContact CE-NE2 3.27Å; K507-H511 WeakPolarHBondContact CE-NE2 3.44Å; K507-H511 PolarHBondContact O-CD2 2.97Å; K507-H511 VanDerWaalsContact O-CD2 3.26Å; K507-H511 PolarHBondContact O-N 3.45Å
508	N	34	Very low	32.8	Very low	81 Å²	81	95.2 Å²	95.2	43%	0.433	45%	0.453	S	S	.	.	H	α-helix	trans	-65.4	-38.3	174.4	-69.5	-16.8	0	0	0	111.3	Y504 Y505 H511 Y512	Y504-N508 WeakPolarHBondContact CD1-ND2 3.46Å; Y504-N508 WeakPolarHBondContact CE1-ND2 3.32Å; Y504-N508 VanDerWaalsContact O-CG 3.31Å; Y504-N508 PolarHBondContact O-N 3.48Å; Y504-N508 PolarHBondContact O-ND2 3.45Å; Y505-N508 PolarHBondContact O-N 3.22Å; N508-H511 PolarHBondContact O-N 2.83Å; N508-Y512 VanDerWaalsContact O-CB 3.28Å; N508-Y512 WeakPolarHBondContact O-CB 3.34Å; N508-Y512 PolarHBondContact O-N 3.46Å
509	I	34.9	Very low	33.4	Very low	40 Å²	40	92 Å²	92	21%	0.205	43%	0.425	C	S	.	.	H	α-helix	trans	-61.9	-42.7	171.5	-78.6	-179.3	0	0	0	111.9	Y505 Y506 K507 Y512 Y513	Y505-I509 HydrophobicContact CD1-CD1 3.65Å; Y505-I509 HydrophobicContact CD1-CG1 4.49Å; Y505-I509 HydrophobicContact CE1-CD1 3.24Å; Y505-I509 HydrophobicContact CE1-CG1 4.32Å; Y505-I509 WeakPolarHBondContact O-CG1 3.48Å; Y505-I509 PolarHBondContact O-N 2.92Å; Y506-I509 PolarHBondContact O-N 3.01Å; K507-I509 VanDerWaalsContact C-N 3.33Å; I509-Y512 WeakPolarHBondContact O-CB 3.12Å; I509-Y512 PolarHBondContact O-N 2.85Å; I509-Y513 HydrophobicContact CG2-CD2 3.58Å; I509-Y513 HydrophobicContact CG2-CE2 3.67Å; I509-Y513 WeakPolarHBondContact O-CD2 3.38Å; I509-Y513 PolarHBondContact O-N 2.84Å
510	Y	36.5	Very low	33.8	Very low	123 Å²	123	88.2 Å²	88.2	48%	0.482	41%	0.406	S	S	.	.	H	α-helix	trans	-64.9	-43.1	176.8	177.3	-108.2	0	0	0	112.2	Y506 K507 Y513 R514	Y506-Y510 PolarHBondContact O-N 3.48Å; K507-Y510 PolarHBondContact O-N 3.32Å; Y510-Y513 PolarHBondContact O-N 2.95Å; Y510-R514 VanDerWaalsContact O-CB 3.28Å; Y510-R514 WeakPolarHBondContact O-CB 3.4Å; Y510-R514 PolarHBondContact O-N 2.98Å
511	H	38	Very low	34.2	Very low	85 Å²	85	84.8 Å²	84.8	39%	0.394	39%	0.389	S	S	.	.	H	α-helix	trans	-64.9	-38.4	172.8	-79.1	-72.9	0	0	0	112.1	K507 N508 N515	K507-H511 VanDerWaalsContact CE-NE2 3.27Å; K507-H511 WeakPolarHBondContact CE-NE2 3.44Å; K507-H511 PolarHBondContact O-CD2 2.97Å; K507-H511 VanDerWaalsContact O-CD2 3.26Å; K507-H511 PolarHBondContact O-N 3.45Å; N508-H511 PolarHBondContact O-N 2.83Å; H511-N515 VanDerWaalsContact O-CB 3.3Å; H511-N515 WeakPolarHBondContact O-CB 3.47Å; H511-N515 PolarHBondContact O-N 3.48Å; H511-N515 PolarHBondContact O-OD1 3.47Å
512	Y	35.8	Very low	35	Very low	88 Å²	88	86.6 Å²	86.6	35%	0.345	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-53.3	172.7	175.9	-96.2	0	0	0	111	N508 I509 R514 N515 Q516	N508-Y512 VanDerWaalsContact O-CB 3.28Å; N508-Y512 WeakPolarHBondContact O-CB 3.34Å; N508-Y512 PolarHBondContact O-N 3.46Å; I509-Y512 WeakPolarHBondContact O-CB 3.12Å; I509-Y512 PolarHBondContact O-N 2.85Å; Y512-R514 PolarHBondContact O-N 2.91Å; Y512-N515 CarbonylContact O-C 3.57Å; Y512-N515 PolarHBondContact O-N 3.34Å; Y512-Q516 HydrophobicContact CD1-CG 3.96Å; Y512-Q516 HydrophobicContact CD2-CG 4.33Å; Y512-Q516 HydrophobicContact CE1-CG 3.65Å; Y512-Q516 HydrophobicContact CE2-CG 4.05Å; Y512-Q516 HydrophobicContact CG-CG 4.3Å; Y512-Q516 WeakPolarHBondContact O-CB 3.21Å; Y512-Q516 VanDerWaalsContact O-CG 3.27Å; Y512-Q516 WeakPolarHBondContact O-CG 3.34Å; Y512-Q516 PolarHBondContact O-N 2.92Å
513	Y	35.4	Very low	35.4	Very low	80 Å²	80	85.8 Å²	85.8	31%	0.314	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-37	179.2	-83.1	-66.8	0	0	0	113.2	I319 H323 I509 Y510 Q516 Q517	I319-Y513 HydrophobicContact CG2-CE2 4.25Å; I319-Y513 WeakPolarHBondContact CG2-OH 3.45Å; H323-Y513 AromaticContact NE2-CE1 3.95Å; I509-Y513 HydrophobicContact CG2-CD2 3.58Å; I509-Y513 HydrophobicContact CG2-CE2 3.67Å; I509-Y513 WeakPolarHBondContact O-CD2 3.38Å; I509-Y513 PolarHBondContact O-N 2.84Å; Y510-Y513 PolarHBondContact O-N 2.95Å; Y513-Q516 CarbonylContact O-C 3.56Å; Y513-Q516 PolarHBondContact O-N 3.31Å; Y513-Q517 WeakPolarHBondContact O-CG 3.39Å; Y513-Q517 PolarHBondContact O-N 2.82Å
514	R	36.9	Very low	35.9	Very low	102 Å²	102	84.1 Å²	84.1	39%	0.385	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-43.2	172.8	-178.2	168.9	169.9	162.7	-4.4	111.4	Y31 Y510 Y512 Q517 F518	Y31-R514 VanDerWaalsContact OH-CZ 3.31Å; Y31-R514 PolarHBondContact OH-NE 2.93Å; Y31-R514 PolarHBondContact OH-NH2 3.49Å; Y510-R514 VanDerWaalsContact O-CB 3.28Å; Y510-R514 WeakPolarHBondContact O-CB 3.4Å; Y510-R514 PolarHBondContact O-N 2.98Å; Y512-R514 PolarHBondContact O-N 2.91Å; R514-Q517 PolarHBondContact O-N 3.19Å; R514-F518 HydrophobicContact CG-CD2 4.43Å; R514-F518 WeakPolarHBondContact O-CD2 3.45Å; R514-F518 PolarHBondContact O-N 3.44Å
515	N	35	Very low	36.2	Very low	64 Å²	64	85.2 Å²	85.2	34%	0.342	38%	0.377	S	S	.	.	H	α-helix	trans	-66.4	-39.5	174.3	-71.7	5.4	0	0	0	111.3	H511 Y512 Q517 F518 I519	H511-N515 VanDerWaalsContact O-CB 3.3Å; H511-N515 WeakPolarHBondContact O-CB 3.47Å; H511-N515 PolarHBondContact O-N 3.48Å; H511-N515 PolarHBondContact O-OD1 3.47Å; Y512-N515 CarbonylContact O-C 3.57Å; Y512-N515 PolarHBondContact O-N 3.34Å; N515-Q517 VanDerWaalsContact C-N 3.33Å; N515-Q517 PolarHBondContact O-N 3.3Å; N515-F518 CarbonylContact O-C 3.37Å; N515-F518 PolarHBondContact O-N 2.73Å; N515-I519 WeakPolarHBondContact O-CB 3.24Å; N515-I519 VanDerWaalsContact O-CG1 3.24Å; N515-I519 WeakPolarHBondContact O-CG1 3.22Å; N515-I519 PolarHBondContact O-N 2.74Å
516	Q	37.6	Very low	36.6	Very low	36 Å²	36	86.8 Å²	86.8	17%	0.168	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-34.1	173.6	-70.1	-62	-33.7	0	0	112	Y512 Y513 N520	Y512-Q516 HydrophobicContact CD1-CG 3.96Å; Y512-Q516 HydrophobicContact CD2-CG 4.33Å; Y512-Q516 HydrophobicContact CE1-CG 3.65Å; Y512-Q516 HydrophobicContact CE2-CG 4.05Å; Y512-Q516 HydrophobicContact CG-CG 4.3Å; Y512-Q516 WeakPolarHBondContact O-CB 3.21Å; Y512-Q516 VanDerWaalsContact O-CG 3.27Å; Y512-Q516 WeakPolarHBondContact O-CG 3.34Å; Y512-Q516 PolarHBondContact O-N 2.92Å; Y513-Q516 CarbonylContact O-C 3.56Å; Y513-Q516 PolarHBondContact O-N 3.31Å; Q516-N520 WeakPolarHBondContact O-CB 3.36Å; Q516-N520 PolarHBondContact O-N 3.25Å; Q516-N520 PolarHBondContact O-ND2 3.47Å; Q516-N520 VanDerWaalsContact O-ND2 3.08Å
517	Q	36.2	Very low	36.7	Very low	114 Å²	114	88.4 Å²	88.4	53%	0.533	40%	0.397	S	S	.	.	H	α-helix	trans	-66.3	-43.4	170.4	-76.6	178.6	-9.2	0	0	111.6	Y513 R514 N515 N520 N521	Y513-Q517 WeakPolarHBondContact O-CG 3.39Å; Y513-Q517 PolarHBondContact O-N 2.82Å; R514-Q517 PolarHBondContact O-N 3.19Å; N515-Q517 VanDerWaalsContact C-N 3.33Å; N515-Q517 PolarHBondContact O-N 3.3Å; Q517-N520 PolarHBondContact O-N 3.27Å; Q517-N521 VanDerWaalsContact O-CB 3.3Å; Q517-N521 WeakPolarHBondContact O-CB 3.34Å; Q517-N521 PolarHBondContact O-N 2.96Å; Q517-N521 PolarHBondContact O-ND2 3.38Å
518	F	36	Very low	36.6	Very low	101 Å²	101	86.5 Å²	86.5	44%	0.443	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-43.8	173.2	-93.3	-86.9	0	0	0	112.3	Y31 R514 N515 N521 R522	Y31-F518 AromaticContact CD2-CD1 3.87Å; Y31-F518 HydrophobicContact CD2-CD1 3.87Å; Y31-F518 HydrophobicContact CD2-CD2 4.28Å; Y31-F518 AromaticContact CD2-CE1 3.67Å; Y31-F518 HydrophobicContact CD2-CE1 3.67Å; Y31-F518 HydrophobicContact CD2-CE2 4.1Å; Y31-F518 HydrophobicContact CD2-CG 4.18Å; Y31-F518 AromaticContact CD2-CZ 3.8Å; Y31-F518 HydrophobicContact CD2-CZ 3.8Å; Y31-F518 HydrophobicContact CE1-CD2 4.37Å; Y31-F518 HydrophobicContact CE1-CE2 4.5Å; Y31-F518 HydrophobicContact CE2-CD1 4.26Å; Y31-F518 AromaticContact CE2-CD2 3.99Å; Y31-F518 HydrophobicContact CE2-CD2 3.99Å; Y31-F518 AromaticContact CE2-CE1 3.79Å; Y31-F518 HydrophobicContact CE2-CE1 3.79Å; Y31-F518 AromaticContact CE2-CE2 3.5Å; Y31-F518 HydrophobicContact CE2-CE2 3.5Å; Y31-F518 HydrophobicContact CE2-CG 4.36Å; Y31-F518 AromaticContact CE2-CZ 3.39Å; Y31-F518 HydrophobicContact CE2-CZ 3.39Å; Y31-F518 HydrophobicContact CG-CD1 4.33Å; Y31-F518 HydrophobicContact CG-CG 4.37Å; Y31-F518 AromaticContact CZ-CE2 3.73Å; R514-F518 HydrophobicContact CG-CD2 4.43Å; R514-F518 WeakPolarHBondContact O-CD2 3.45Å; R514-F518 PolarHBondContact O-N 3.44Å; N515-F518 CarbonylContact O-C 3.37Å; N515-F518 PolarHBondContact O-N 2.73Å; F518-N521 PolarHBondContact O-N 2.93Å; F518-R522 WeakPolarHBondContact O-CB 3.39Å; F518-R522 PolarHBondContact O-N 3.05Å
519	I	36.6	Very low	36.6	Very low	51 Å²	51	86.4 Å²	86.4	26%	0.262	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-47.9	177	-69.6	162.8	0	0	0	110.6	N515 N521 R522 I523	N515-I519 WeakPolarHBondContact O-CB 3.24Å; N515-I519 VanDerWaalsContact O-CG1 3.24Å; N515-I519 WeakPolarHBondContact O-CG1 3.22Å; N515-I519 PolarHBondContact O-N 2.74Å; I519-N521 VanDerWaalsContact C-N 3.31Å; I519-N521 PolarHBondContact O-N 3.35Å; I519-R522 CarbonylContact O-C 3.53Å; I519-R522 PolarHBondContact O-N 3.32Å; I519-R522 VanDerWaalsContact O-N 3.11Å; I519-I523 HydrophobicContact CG2-CD1 3.63Å; I519-I523 HydrophobicContact CG2-CG1 4.26Å; I519-I523 WeakPolarHBondContact O-CB 3.33Å; I519-I523 VanDerWaalsContact O-CG1 3.32Å; I519-I523 WeakPolarHBondContact O-CG1 3.36Å; I519-I523 PolarHBondContact O-N 2.73Å
520	N	37.9	Very low	36.6	Very low	83 Å²	83	91.1 Å²	91.1	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-63.8	-35.7	178	-74.3	-29.4	0	0	0	111.9	Q516 Q517 I523 K524	Q516-N520 WeakPolarHBondContact O-CB 3.36Å; Q516-N520 PolarHBondContact O-N 3.25Å; Q516-N520 PolarHBondContact O-ND2 3.47Å; Q516-N520 VanDerWaalsContact O-ND2 3.08Å; Q517-N520 PolarHBondContact O-N 3.27Å; N520-I523 PolarHBondContact O-N 2.65Å; N520-K524 WeakPolarHBondContact O-CB 3.4Å; N520-K524 PolarHBondContact O-N 2.95Å
521	N	38.3	Very low	36.6	Very low	80 Å²	80	92.1 Å²	92.1	43%	0.428	42%	0.424	S	S	.	.	H	α-helix	trans	-64.7	-47.5	170.2	-73	-23.1	0	0	0	110.8	Q517 F518 I519 I523 K524 Y525	Q517-N521 VanDerWaalsContact O-CB 3.3Å; Q517-N521 WeakPolarHBondContact O-CB 3.34Å; Q517-N521 PolarHBondContact O-N 2.96Å; Q517-N521 PolarHBondContact O-ND2 3.38Å; F518-N521 PolarHBondContact O-N 2.93Å; I519-N521 VanDerWaalsContact C-N 3.31Å; I519-N521 PolarHBondContact O-N 3.35Å; N521-I523 VanDerWaalsContact C-N 3.3Å; N521-I523 PolarHBondContact O-N 3.47Å; N521-K524 WeakPolarHBondContact O-CB 3.25Å; N521-K524 PolarHBondContact O-N 3.22Å; N521-Y525 HydrophobicContact CB-CE2 4.23Å; N521-Y525 WeakPolarHBondContact O-CD2 3.36Å; N521-Y525 PolarHBondContact O-N 3.3Å
522	R	42.8	Very low	36.5	Very low	118 Å²	118	94.2 Å²	94.2	45%	0.445	44%	0.438	S	S	.	.	H	α-helix	trans	-61.7	-35.2	176.6	-159.7	176.3	-168.3	173.8	4.4	112.5	D32 F518 I519 K526	D32-R522 IonicContact OD1-CZ 3.4Å; D32-R522 IonicContact OD1-NH1 2.67Å; D32-R522 PolarHBondContact OD1-NH1 3.16Å; D32-R522 IonicContact OD2-CZ 2.8Å; D32-R522 IonicContact OD2-NH1 2.7Å; D32-R522 PolarHBondContact OD2-NH1 2.81Å; D32-R522 IonicContact OD2-NH2 3.89Å; D32-R522 PolarHBondContact OD2-NH2 3.06Å; F518-R522 WeakPolarHBondContact O-CB 3.39Å; F518-R522 PolarHBondContact O-N 3.05Å; I519-R522 CarbonylContact O-C 3.53Å; I519-R522 PolarHBondContact O-N 3.32Å; I519-R522 VanDerWaalsContact O-N 3.11Å; R522-K526 WeakPolarHBondContact O-CB 3.39Å; R522-K526 WeakPolarHBondContact O-CG 3.43Å; R522-K526 PolarHBondContact O-N 3.4Å
523	I	37.2	Very low	36.5	Very low	63 Å²	63	94.5 Å²	94.5	32%	0.323	45%	0.446	S	S	.	.	H	α-helix	trans	-72.2	-42.3	174.1	-70.3	172.5	0	0	0	110.8	I519 N520 N521 Y525 K526 L527	I519-I523 HydrophobicContact CG2-CD1 3.63Å; I519-I523 HydrophobicContact CG2-CG1 4.26Å; I519-I523 WeakPolarHBondContact O-CB 3.33Å; I519-I523 VanDerWaalsContact O-CG1 3.32Å; I519-I523 WeakPolarHBondContact O-CG1 3.36Å; I519-I523 PolarHBondContact O-N 2.73Å; N520-I523 PolarHBondContact O-N 2.65Å; N521-I523 VanDerWaalsContact C-N 3.3Å; N521-I523 PolarHBondContact O-N 3.47Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 3.26Å; I523-K526 CarbonylContact O-C 3.56Å; I523-K526 PolarHBondContact O-N 3.09Å; I523-K526 VanDerWaalsContact O-N 3.14Å; I523-L527 HydrophobicContact CG2-CD1 3.77Å; I523-L527 HydrophobicContact CG2-CG 4.17Å; I523-L527 WeakPolarHBondContact O-CB 3.38Å; I523-L527 WeakPolarHBondContact O-CG 3.48Å; I523-L527 PolarHBondContact O-N 2.88Å
524	K	39.3	Very low	36.6	Very low	80 Å²	80	98.2 Å²	98.2	35%	0.348	47%	0.471	S	S	.	.	H	α-helix	trans	-58.1	-46.7	174.9	-175.7	178	-178	179.8	0	111	Y330 N520 N521 L527 Q528	Y330-K524 PolarHBondContact OH-NZ 2.95Å; N520-K524 WeakPolarHBondContact O-CB 3.4Å; N520-K524 PolarHBondContact O-N 2.95Å; N521-K524 WeakPolarHBondContact O-CB 3.25Å; N521-K524 PolarHBondContact O-N 3.22Å; K524-L527 PolarHBondContact O-N 3.22Å; K524-Q528 WeakPolarHBondContact O-CB 3.09Å; K524-Q528 VanDerWaalsContact O-CG 3.31Å; K524-Q528 WeakPolarHBondContact O-CG 3.45Å; K524-Q528 PolarHBondContact O-N 3Å
525	Y	35.9	Very low	36.3	Very low	129 Å²	129	100 Å²	100	51%	0.506	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-41.6	173.3	-62.5	-51.5	0	0	0	112.2	N521 I523 L527 Q528 L529	N521-Y525 HydrophobicContact CB-CE2 4.23Å; N521-Y525 WeakPolarHBondContact O-CD2 3.36Å; N521-Y525 PolarHBondContact O-N 3.3Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 3.26Å; Y525-L527 PolarHBondContact O-N 3.28Å; Y525-Q528 PolarHBondContact O-N 3.08Å; Y525-L529 WeakPolarHBondContact O-CB 3.49Å; Y525-L529 WeakPolarHBondContact O-CG 3.39Å; Y525-L529 PolarHBondContact O-N 3.39Å
526	K	35.4	Very low	36.2	Very low	129 Å²	129	106.3 Å²	106.3	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-33.2	174.7	-80.2	-173.8	174	-168.8	0	114.2	R522 I523 L529 H530	R522-K526 WeakPolarHBondContact O-CB 3.39Å; R522-K526 WeakPolarHBondContact O-CG 3.43Å; R522-K526 PolarHBondContact O-N 3.4Å; I523-K526 CarbonylContact O-C 3.56Å; I523-K526 PolarHBondContact O-N 3.09Å; I523-K526 VanDerWaalsContact O-N 3.14Å; K526-L529 WeakPolarHBondContact O-CB 3.45Å; K526-L529 PolarHBondContact O-N 3.3Å; K526-H530 PolarHBondContact O-CD2 3.03Å; K526-H530 PolarHBondContact O-N 3.19Å
527	L	34.3	Very low	35.7	Very low	84 Å²	84	110.6 Å²	110.6	44%	0.44	54%	0.541	S	S	.	.	H	α-helix	trans	-76.3	-38.4	177	-72.9	172	0	0	0	111.5	I523 K524 Y525 L529 H530 N531	I523-L527 HydrophobicContact CG2-CD1 3.77Å; I523-L527 HydrophobicContact CG2-CG 4.17Å; I523-L527 WeakPolarHBondContact O-CB 3.38Å; I523-L527 WeakPolarHBondContact O-CG 3.48Å; I523-L527 PolarHBondContact O-N 2.88Å; K524-L527 PolarHBondContact O-N 3.22Å; Y525-L527 PolarHBondContact O-N 3.28Å; L527-L529 VanDerWaalsContact C-N 3.27Å; L527-L529 PolarHBondContact O-N 3.16Å; L527-H530 PolarHBondContact O-N 3.16Å; L527-H530 VanDerWaalsContact O-N 3.1Å; L527-N531 PolarHBondContact O-N 3.15Å
528	Q	35.1	Very low	35.3	Very low	86 Å²	86	108.1 Å²	108.1	40%	0.402	53%	0.534	S	S	.	.	H	α-helix	trans	-60.7	-38.1	169	-71.3	172.9	-41.6	0	0	111.3	K524 Y525 H530 L541	K524-Q528 WeakPolarHBondContact O-CB 3.09Å; K524-Q528 VanDerWaalsContact O-CG 3.31Å; K524-Q528 WeakPolarHBondContact O-CG 3.45Å; K524-Q528 PolarHBondContact O-N 3Å; Y525-Q528 PolarHBondContact O-N 3.08Å; Q528-H530 VanDerWaalsContact C-N 3.3Å; Q528-H530 PolarHBondContact O-N 3Å; Q528-L541 HydrophobicContact CB-CD1 3.64Å
529	L	33	Very low	35.1	Very low	78 Å²	78	109.8 Å²	109.8	41%	0.408	55%	0.548	S	S	.	.	H	α-helix	trans	-65.2	-24.9	172.3	-82.4	166.5	0	0	0	114.2	Y525 K526 L527 N533 L541	Y525-L529 WeakPolarHBondContact O-CB 3.49Å; Y525-L529 WeakPolarHBondContact O-CG 3.39Å; Y525-L529 PolarHBondContact O-N 3.39Å; K526-L529 WeakPolarHBondContact O-CB 3.45Å; K526-L529 PolarHBondContact O-N 3.3Å; L527-L529 VanDerWaalsContact C-N 3.27Å; L527-L529 PolarHBondContact O-N 3.16Å; L529-N533 PolarHBondContact O-ND2 3.16Å; L529-N533 PolarHBondContact O-OD1 2.95Å; L529-L541 HydrophobicContact CB-CD1 4.41Å; L529-L541 HydrophobicContact CD2-CB 3.92Å; L529-L541 HydrophobicContact CD2-CD1 3.99Å; L529-L541 HydrophobicContact CD2-CG 4.38Å; L529-L541 HydrophobicContact CG-CB 4.05Å; L529-L541 HydrophobicContact CG-CD1 3.78Å
530	H	34.6	Very low	34.9	Very low	140 Å²	140	114.9 Å²	114.9	65%	0.648	58%	0.575	S	S	*	*	H	α-helix	trans	-83.7	-30.2	178.6	-97.5	-79.1	0	0	0	113.5	K526 L527 Q528 N532	K526-H530 PolarHBondContact O-CD2 3.03Å; K526-H530 PolarHBondContact O-N 3.19Å; L527-H530 PolarHBondContact O-N 3.16Å; L527-H530 VanDerWaalsContact O-N 3.1Å; Q528-H530 VanDerWaalsContact C-N 3.3Å; Q528-H530 PolarHBondContact O-N 3Å; H530-N532 VanDerWaalsContact C-N 3.34Å; H530-N532 PolarHBondContact O-N 2.85Å
531	N	37.9	Very low	34.8	Very low	144 Å²	144	114.1 Å²	114.1	77%	0.77	57%	0.57	S	S	*	*	H	α-helix	trans	-80	-11.6	-169.4	-139.1	43.7	0	0	0	114.6	L527	L527-N531 PolarHBondContact O-N 3.15Å
532	N	35.8	Very low	35	Very low	128 Å²	128	117.3 Å²	117.3	68%	0.684	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	1.1	180	-72.8	-5.8	0	0	0	113.8	H530 N534	H530-N532 VanDerWaalsContact C-N 3.34Å; H530-N532 PolarHBondContact O-N 2.85Å; N532-N534 VanDerWaalsContact C-N 3.29Å; N532-N534 PolarHBondContact O-N 3.42Å
533	N	36.1	Very low	35.2	Very low	94 Å²	94	121.3 Å²	121.3	50%	0.503	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	58.3	-169.4	-69.5	-28.3	0	0	0	114.5	L529	L529-N533 PolarHBondContact O-ND2 3.16Å; L529-N533 PolarHBondContact O-OD1 2.95Å
534	N	36.6	Very low	37.2	Very low	159 Å²	159	121.6 Å²	121.6	85%	0.85	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-3.2	159.2	-91	-5.7	0	0	0	113.1	N532	N532-N534 VanDerWaalsContact C-N 3.29Å; N532-N534 PolarHBondContact O-N 3.42Å
535	N	30.1	Very low	39.2	Very low	139 Å²	139	122.2 Å²	122.2	74%	0.743	60%	0.595	S	S	*	*	S	Bend	trans	-139.5	123.9	175.8	-84.4	-60.6	0	0	0	112.4
536	K	33.1	Very low	41.5	Very low	196 Å²	196	120.9 Å²	120.9	85%	0.852	59%	0.593	S	S	*	*			trans	26.5	101.1	164.9	-71.6	177.4	177.6	173	0	117.9	T538	K536-T538 PolarHBondContact O-N 3.35Å; K536-T538 VanDerWaalsContact O-N 3.13Å
537	T	27.3	Very low	44	Very low	126 Å²	126	114.7 Å²	114.7	77%	0.773	57%	0.566	S	S	*	*			trans	-43.7	99.3	168.2	50.1	0	0	0	0	116.2
538	T	29	Very low	46.5	Very low	62 Å²	62	115.2 Å²	115.2	38%	0.38	58%	0.575	S	S	.	*			trans	-161.2	120.2	155.6	31	0	0	0	0	114.5	Y375 K536 L540	Y375-T538 HydrophobicContact CE1-CG2 4.39Å; Y375-T538 HydrophobicContact CE2-CG2 3.92Å; K536-T538 PolarHBondContact O-N 3.35Å; K536-T538 VanDerWaalsContact O-N 3.13Å; T538-L540 PolarHBondContact O-N 2.87Å; T538-L540 VanDerWaalsContact O-N 3.13Å
539	N	32	Very low	48.9	Very low	137 Å²	137	116.9 Å²	116.9	73%	0.733	58%	0.582	S	S	*	*			trans	41.5	49.3	137.6	-66.7	-20.9	0	0	0	121.3
540	L	32.2	Very low	51.5	Low	158 Å²	158	115.2 Å²	115.2	83%	0.827	58%	0.577	S	S	*	*			trans	-130.9	27.6	176.2	-84.9	178.4	0	0	0	117.7	T538	T538-L540 PolarHBondContact O-N 2.87Å; T538-L540 VanDerWaalsContact O-N 3.13Å
541	L	34.7	Very low	53.7	Low	66 Å²	66	113.8 Å²	113.8	35%	0.346	57%	0.574	S	S	.	*	S	Bend	trans	-128.9	96.3	160.1	-79.5	170.1	0	0	0	110.1	Q528 L529	Q528-L541 HydrophobicContact CB-CD1 3.64Å; L529-L541 HydrophobicContact CB-CD1 4.41Å; L529-L541 HydrophobicContact CD2-CB 3.92Å; L529-L541 HydrophobicContact CD2-CD1 3.99Å; L529-L541 HydrophobicContact CD2-CG 4.38Å; L529-L541 HydrophobicContact CG-CB 4.05Å; L529-L541 HydrophobicContact CG-CD1 3.78Å
542	Y	43.8	Very low	55.8	Low	147 Å²	147	112.7 Å²	112.7	58%	0.576	56%	0.562	S	S	*	*	S	Bend	trans	61.6	109.6	-168.7	-165.5	-122.2	0	0	0	113.5	L544 P555	Y542-L544 VanDerWaalsContact C-N 3.35Å; Y542-L544 HydrophobicContact CD1-CD2 3.61Å; Y542-L544 HydrophobicContact CD1-CG 4.03Å; Y542-L544 HydrophobicContact CE1-CD2 3.68Å; Y542-L544 PolarHBondContact O-N 2.94Å; Y542-P555 HydrophobicContact CE1-CB 3.83Å; Y542-P555 WeakPolarHBondContact OH-CB 3.42Å; Y542-P555 PolarHBondContact OH-O 2.85Å
543	R	46.5	Very low	58.2	Low	203 Å²	203	112.2 Å²	112.2	77%	0.766	56%	0.556	S	S	*	*			trans	-73.6	86.2	-179.2	-171	176.3	-175.9	166.9	2.3	110.5
544	L	79.6	Confident	60.3	Low	69 Å²	69	108.7 Å²	108.7	36%	0.361	54%	0.536	S	S	.	.			trans	-64.6	145.9	172	-68.8	170.3	0	0	0	110.8	Y542 E553	Y542-L544 VanDerWaalsContact C-N 3.35Å; Y542-L544 HydrophobicContact CD1-CD2 3.61Å; Y542-L544 HydrophobicContact CD1-CG 4.03Å; Y542-L544 HydrophobicContact CE1-CD2 3.68Å; Y542-L544 PolarHBondContact O-N 2.94Å; L544-E553 HydrophobicContact CB-CB 4.2Å; L544-E553 HydrophobicContact CD1-CB 4.06Å; L544-E553 HydrophobicContact CD1-CG 4.42Å; L544-E553 WeakPolarHBondContact CD1-OE2 3.49Å
545	Y	80.7	Confident	62.3	Low	92 Å²	92	103 Å²	103	36%	0.361	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	98.9	179.1	-67.6	-91	0	0	0	108.6	F554 R556 S557	Y545-F554 PolarHBondContact N-O 2.89Å; Y545-F554 WeakPolarHBondContact O-CD2 3.37Å; Y545-F554 PolarHBondContact O-N 3.19Å; Y545-R556 VanDerWaalsContact CD2-C 3.47Å; Y545-S557 VanDerWaalsContact CD2-N 3.3Å
546	Q	83.6	Confident	64.7	Low	101 Å²	101	104.4 Å²	104.4	47%	0.472	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.3	-178.5	-177	-179.1	-8	0	0	111.7	N551 K552 L560	Q546-N551 PolarHBondContact NE2-OD1 3.19Å; Q546-K552 CarbonylContact C-O 3.55Å; Q546-K552 WeakPolarHBondContact CA-O 3.46Å; Q546-L560 WeakPolarHBondContact O-CD2 3.29Å
547	C	88.1	Confident	67.1	Low	0 Å²	0	97.6 Å²	97.6	0%	0	48%	0.48	C	S	.	.			trans	-76.9	125.7	171.1	-176.8	0	0	0	0	111.5	H549 N551 K552 F554 L560 H563 H567	C547-H549 PolarHBondContact O-N 3.23Å; C547-N551 WeakPolarHBondContact O-CA 3.45Å; C547-N551 PolarHBondContact O-N 3.24Å; C547-K552 HydrophobicContact CB-CB 4.47Å; C547-K552 PolarHBondContact N-O 3.38Å; C547-F554 HydrophobicContact CB-CE2 4.42Å; C547-L560 HydrophobicContact CB-CD1 3.84Å; C547-H563 PolarHBondContact SG-NE2 3.18Å; C547-H563 VanDerWaalsContact SG-NE2 3.36Å; C547-H567 PolarHBondContact SG-NE2 3.2Å
548	P	85.8	Confident	69.9	Low	95 Å²	95	94.7 Å²	94.7	62%	0.617	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.3	178.8	28.6	-35.4	0	0	0	113.9	L564	P548-L564 HydrophobicContact CG-CD2 4.23Å
549	H	86.1	Confident	72.7	Confident	121 Å²	121	93.3 Å²	93.3	56%	0.56	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-21	-175.7	-57.2	-67.3	0	0	0	114.4	C547 H567	C547-H549 PolarHBondContact O-N 3.23Å; H549-H567 HydrophobicContact CB-CB 4.43Å; H549-H567 WeakPolarHBondContact CB-ND1 3.49Å; H549-H567 AromaticContact CD2-CG 3.84Å
550	C	87.4	Confident	75.4	Confident	42 Å²	42	87.7 Å²	87.7	28%	0.284	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.6	15.3	-178.8	70	0	0	0	0	115.4	K552 H563 H567	C550-K552 PolarHBondContact O-N 3.22Å; C550-H563 PolarHBondContact SG-NE2 2.81Å; C550-H567 WeakPolarHBondContact CB-CE1 3.39Å; C550-H567 PolarHBondContact SG-CE1 3.48Å; C550-H567 PolarHBondContact SG-NE2 2.94Å
551	N	81.5	Confident	78	Confident	110 Å²	110	84.8 Å²	84.8	59%	0.588	41%	0.414	S	S	*	.			trans	57.6	9.1	175	-62.5	-38.1	0	0	0	116.8	Q546 C547 E553	Q546-N551 PolarHBondContact NE2-OD1 3.19Å; C547-N551 WeakPolarHBondContact O-CA 3.45Å; C547-N551 PolarHBondContact O-N 3.24Å; N551-E553 PolarHBondContact O-N 3.4Å
552	K	82.6	Confident	80.5	Confident	122 Å²	122	84.1 Å²	84.1	53%	0.53	41%	0.407	S	S	.	.			trans	-64.1	131.1	173.4	-70.1	179.6	-174.8	178.8	0	110.8	Q546 C547 C550 F554	Q546-K552 CarbonylContact C-O 3.55Å; Q546-K552 WeakPolarHBondContact CA-O 3.46Å; C547-K552 HydrophobicContact CB-CB 4.47Å; C547-K552 PolarHBondContact N-O 3.38Å; C550-K552 PolarHBondContact O-N 3.22Å; K552-F554 HydrophobicContact CB-CE2 3.56Å; K552-F554 HydrophobicContact CB-CZ 3.86Å; K552-F554 HydrophobicContact CD-CZ 4.46Å; K552-F554 WeakPolarHBondContact O-CD2 3.35Å; K552-F554 WeakPolarHBondContact O-CE2 3.33Å
553	E	84.9	Confident	82.7	Confident	118 Å²	118	77.5 Å²	77.5	55%	0.551	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.1	-179.1	-63.2	179.3	146.5	0	0	111.6	L544 N551	L544-E553 HydrophobicContact CB-CB 4.2Å; L544-E553 HydrophobicContact CD1-CB 4.06Å; L544-E553 HydrophobicContact CD1-CG 4.42Å; L544-E553 WeakPolarHBondContact CD1-OE2 3.49Å; N551-E553 PolarHBondContact O-N 3.4Å
554	F	81.2	Confident	84.8	Confident	19 Å²	19	70 Å²	70	8%	0.083	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.5	-179.2	-64	-87.6	0	0	0	112.6	Y545 C547 K552 R556 N559 L560 H563	Y545-F554 PolarHBondContact N-O 2.89Å; Y545-F554 WeakPolarHBondContact O-CD2 3.37Å; Y545-F554 PolarHBondContact O-N 3.19Å; C547-F554 HydrophobicContact CB-CE2 4.42Å; K552-F554 HydrophobicContact CB-CE2 3.56Å; K552-F554 HydrophobicContact CB-CZ 3.86Å; K552-F554 HydrophobicContact CD-CZ 4.46Å; K552-F554 WeakPolarHBondContact O-CD2 3.35Å; K552-F554 WeakPolarHBondContact O-CE2 3.33Å; F554-R556 PolarHBondContact O-N 2.94Å; F554-N559 HydrophobicContact CB-CB 4.05Å; F554-N559 HydrophobicContact CD1-CB 3.9Å; F554-N559 HydrophobicContact CG-CB 4.3Å; F554-L560 HydrophobicContact CB-CB 4.21Å; F554-L560 HydrophobicContact CD2-CB 4.14Å; F554-L560 HydrophobicContact CD2-CD1 4.02Å; F554-L560 HydrophobicContact CE2-CD1 4.33Å; F554-L560 HydrophobicContact CG-CB 4.35Å; F554-H563 HydrophobicContact CE1-CB 3.99Å; F554-H563 HydrophobicContact CE2-CB 3.99Å; F554-H563 AromaticContact CE2-CD2 3.17Å; F554-H563 WeakPolarHBondContact CE2-CD2 3.12Å; F554-H563 AromaticContact CE2-CG 3.71Å; F554-H563 HydrophobicContact CZ-CB 3.56Å; F554-H563 AromaticContact CZ-CD2 3.29Å; F554-H563 WeakPolarHBondContact CZ-CD2 3.42Å; F554-H563 AromaticContact CZ-CG 3.36Å
555	P	77.8	Confident	85.2	Confident	39 Å²	39	69.7 Å²	69.7	25%	0.253	35%	0.35	S	S	.	.	S	Bend	trans	-72.8	-10.2	-179.4	29	-36.1	0	0	0	114.4	Y542	Y542-P555 HydrophobicContact CE1-CB 3.83Å; Y542-P555 WeakPolarHBondContact OH-CB 3.42Å; Y542-P555 PolarHBondContact OH-O 2.85Å
556	R	79.8	Confident	85.6	Confident	169 Å²	169	68 Å²	68	64%	0.638	35%	0.35	S	S	*	.	S	Bend	trans	-146.2	141.4	-177.7	-62.4	-176.3	-178.6	176.1	-1.3	109.8	Y545 F554 A558 N559 L560	Y545-R556 VanDerWaalsContact CD2-C 3.47Å; F554-R556 PolarHBondContact O-N 2.94Å; R556-A558 PolarHBondContact O-N 2.62Å; R556-N559 WeakPolarHBondContact O-CB 3.48Å; R556-N559 PolarHBondContact O-N 3.4Å; R556-L560 PolarHBondContact O-N 3.39Å; R556-L560 VanDerWaalsContact O-N 3.16Å
557	S	84.5	Confident	85.9	Confident	54 Å²	54	67.3 Å²	67.3	38%	0.378	35%	0.346	S	S	.	.	H	α-helix	trans	-51.2	-44	172.8	50.6	0	0	0	0	112	Y545 N559 L560 N561	Y545-S557 VanDerWaalsContact CD2-N 3.3Å; S557-N559 PolarHBondContact O-N 3.39Å; S557-L560 PolarHBondContact O-N 3.03Å; S557-L560 VanDerWaalsContact O-N 3.08Å; S557-N561 PolarHBondContact O-N 3.31Å; S557-N561 PolarHBondContact O-OD1 2.9Å
558	A	86.2	Confident	85.9	Confident	64 Å²	64	71 Å²	71	53%	0.529	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-27.8	177.2	0	0	0	0	0	114	R556 R562	R556-A558 PolarHBondContact O-N 2.62Å; A558-R562 WeakPolarHBondContact O-CB 3.42Å; A558-R562 PolarHBondContact O-N 3.07Å
559	N	87.2	Confident	85.9	Confident	34 Å²	34	68.9 Å²	68.9	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-78.5	-39.6	173.3	-77.8	-14	0	0	0	111.3	F554 R556 S557 R562 H563	F554-N559 HydrophobicContact CB-CB 4.05Å; F554-N559 HydrophobicContact CD1-CB 3.9Å; F554-N559 HydrophobicContact CG-CB 4.3Å; R556-N559 WeakPolarHBondContact O-CB 3.48Å; R556-N559 PolarHBondContact O-N 3.4Å; S557-N559 PolarHBondContact O-N 3.39Å; N559-R562 PolarHBondContact O-N 2.86Å; N559-R562 PolarHBondContact OD1-NH1 3.33Å; N559-R562 PolarHBondContact OD1-NH2 3.02Å; N559-H563 WeakPolarHBondContact O-CB 3.39Å; N559-H563 PolarHBondContact O-N 2.81Å
560	L	88.1	Confident	86	Confident	19 Å²	19	67.6 Å²	67.6	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-50.2	171.7	172	60.5	0	0	0	110.8	Q546 C547 F554 R556 S557 R562 H563 L564	Q546-L560 WeakPolarHBondContact O-CD2 3.29Å; C547-L560 HydrophobicContact CB-CD1 3.84Å; F554-L560 HydrophobicContact CB-CB 4.21Å; F554-L560 HydrophobicContact CD2-CB 4.14Å; F554-L560 HydrophobicContact CD2-CD1 4.02Å; F554-L560 HydrophobicContact CE2-CD1 4.33Å; F554-L560 HydrophobicContact CG-CB 4.35Å; R556-L560 PolarHBondContact O-N 3.39Å; R556-L560 VanDerWaalsContact O-N 3.16Å; S557-L560 PolarHBondContact O-N 3.03Å; S557-L560 VanDerWaalsContact O-N 3.08Å; L560-R562 VanDerWaalsContact C-N 3.25Å; L560-R562 PolarHBondContact O-N 3.23Å; L560-H563 CarbonylContact O-C 3.51Å; L560-H563 WeakPolarHBondContact O-CA 3.31Å; L560-H563 WeakPolarHBondContact O-CB 3.22Å; L560-H563 PolarHBondContact O-N 3.42Å; L560-L564 HydrophobicContact CD1-CD1 4.41Å; L560-L564 HydrophobicContact CD1-CD2 4.26Å; L560-L564 HydrophobicContact CD1-CG 3.98Å; L560-L564 HydrophobicContact CG-CD1 4.17Å; L560-L564 HydrophobicContact CG-CG 4.22Å; L560-L564 WeakPolarHBondContact O-CG 3.15Å; L560-L564 PolarHBondContact O-N 3.45Å
561	N	87.5	Confident	86.2	Confident	96 Å²	96	70 Å²	70	51%	0.513	36%	0.364	S	S	.	.	H	α-helix	trans	-60.7	-35.2	-178.7	-68.1	9.7	0	0	0	112.1	S557	S557-N561 PolarHBondContact O-N 3.31Å; S557-N561 PolarHBondContact O-OD1 2.9Å
562	R	88.6	Confident	86.6	Confident	53 Å²	53	68.1 Å²	68.1	20%	0.2	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-41.7	172.5	-169.2	178.2	73.1	-119.4	-11.1	112	D26 A558 N559 L560 R565 I584	D26-R562 IonicContact OD1-NE 3.75Å; D26-R562 IonicContact OD2-NE 3.05Å; A558-R562 WeakPolarHBondContact O-CB 3.42Å; A558-R562 PolarHBondContact O-N 3.07Å; N559-R562 PolarHBondContact O-N 2.86Å; N559-R562 PolarHBondContact OD1-NH1 3.33Å; N559-R562 PolarHBondContact OD1-NH2 3.02Å; L560-R562 VanDerWaalsContact C-N 3.25Å; L560-R562 PolarHBondContact O-N 3.23Å; R562-R565 WeakPolarHBondContact O-CB 3.26Å; R562-R565 PolarHBondContact O-N 3.44Å; R562-I584 HydrophobicContact CG-CD1 4.01Å; R562-I584 HydrophobicContact CG-CG1 3.82Å
563	H	89.6	Confident	87	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-69.5	-33	175.9	169.1	48.2	0	0	0	113.2	C547 C550 F554 N559 L560 R565 T566 H567	C547-H563 PolarHBondContact SG-NE2 3.18Å; C547-H563 VanDerWaalsContact SG-NE2 3.36Å; C550-H563 PolarHBondContact SG-NE2 2.81Å; F554-H563 HydrophobicContact CE1-CB 3.99Å; F554-H563 HydrophobicContact CE2-CB 3.99Å; F554-H563 AromaticContact CE2-CD2 3.17Å; F554-H563 WeakPolarHBondContact CE2-CD2 3.12Å; F554-H563 AromaticContact CE2-CG 3.71Å; F554-H563 HydrophobicContact CZ-CB 3.56Å; F554-H563 AromaticContact CZ-CD2 3.29Å; F554-H563 WeakPolarHBondContact CZ-CD2 3.42Å; F554-H563 AromaticContact CZ-CG 3.36Å; N559-H563 WeakPolarHBondContact O-CB 3.39Å; N559-H563 PolarHBondContact O-N 2.81Å; L560-H563 CarbonylContact O-C 3.51Å; L560-H563 WeakPolarHBondContact O-CA 3.31Å; L560-H563 WeakPolarHBondContact O-CB 3.22Å; L560-H563 PolarHBondContact O-N 3.42Å; H563-R565 PolarHBondContact O-N 2.99Å; H563-R565 VanDerWaalsContact O-N 3.14Å; H563-T566 PolarHBondContact CE1-OG1 3.28Å; H563-T566 VanDerWaalsContact CE1-OG1 3.28Å; H563-T566 PolarHBondContact ND1-OG1 3.45Å; H563-T566 WeakPolarHBondContact O-CB 3.37Å; H563-T566 PolarHBondContact O-N 2.95Å; H563-T566 PolarHBondContact O-OG1 3.44Å; H563-H567 AromaticContact CD2-NE2 3.58Å; H563-H567 AromaticContact CE1-CD2 3.69Å; H563-H567 AromaticContact CE1-NE2 2.67Å; H563-H567 PolarHBondContact CE1-NE2 2.9Å; H563-H567 AromaticContact ND1-NE2 3.86Å; H563-H567 AromaticContact NE2-CD2 3.74Å; H563-H567 AromaticContact NE2-NE2 2.4Å; H563-H567 PolarHBondContact NE2-NE2 3.21Å
564	L	89	Confident	87.2	Confident	45 Å²	45	68.6 Å²	68.6	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-56.7	-30.6	175.4	-75.4	174.1	0	0	0	112	P548 L560 T566 H567 T568	P548-L564 HydrophobicContact CG-CD2 4.23Å; L560-L564 HydrophobicContact CD1-CD1 4.41Å; L560-L564 HydrophobicContact CD1-CD2 4.26Å; L560-L564 HydrophobicContact CD1-CG 3.98Å; L560-L564 HydrophobicContact CG-CD1 4.17Å; L560-L564 HydrophobicContact CG-CG 4.22Å; L560-L564 WeakPolarHBondContact O-CG 3.15Å; L560-L564 PolarHBondContact O-N 3.45Å; L564-T566 PolarHBondContact O-N 3.38Å; L564-H567 WeakPolarHBondContact O-CA 3.32Å; L564-H567 WeakPolarHBondContact O-CB 3.46Å; L564-H567 PolarHBondContact O-N 2.8Å; L564-T568 PolarHBondContact O-N 3.3Å
565	R	89.8	Confident	87.7	Confident	62 Å²	62	67.7 Å²	67.7	23%	0.234	35%	0.348	C	S	.	.	H	α-helix	trans	-64.2	-18.7	172.6	-58.3	-173	172.7	151	3.1	114.5	R562 H563 H567 G569 E570 S583	R562-R565 WeakPolarHBondContact O-CB 3.26Å; R562-R565 PolarHBondContact O-N 3.44Å; H563-R565 PolarHBondContact O-N 2.99Å; H563-R565 VanDerWaalsContact O-N 3.14Å; R565-H567 VanDerWaalsContact C-N 3.25Å; R565-G569 CarbonylContact O-C 3.53Å; R565-G569 WeakPolarHBondContact O-CA 3.15Å; R565-G569 PolarHBondContact O-N 3.2Å; R565-E570 HydrophobicContact CB-CB 3.98Å; R565-E570 HydrophobicContact CG-CB 3.79Å; R565-E570 IonicContact NE-OE2 3.82Å; R565-E570 PolarHBondContact NE-OE2 3.19Å; R565-E570 PolarHBondContact O-N 3.15Å; R565-S583 WeakPolarHBondContact CD-O 3.2Å; R565-S583 PolarHBondContact NH1-O 2.88Å
566	T	88.7	Confident	88.4	Confident	58 Å²	58	72.7 Å²	72.7	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-78.3	-11.1	170.2	77.2	0	0	0	0	112.8	D26 H563 L564	D26-T566 HydrophobicContact CB-CG2 3.6Å; H563-T566 PolarHBondContact CE1-OG1 3.28Å; H563-T566 VanDerWaalsContact CE1-OG1 3.28Å; H563-T566 PolarHBondContact ND1-OG1 3.45Å; H563-T566 WeakPolarHBondContact O-CB 3.37Å; H563-T566 PolarHBondContact O-N 2.95Å; H563-T566 PolarHBondContact O-OG1 3.44Å; L564-T566 PolarHBondContact O-N 3.38Å
567	H	89.3	Confident	88.8	Confident	85 Å²	85	71.4 Å²	71.4	39%	0.394	36%	0.364	S	S	.	.	H	α-helix	trans	-101.6	-40	173.2	-65.7	-74.8	0	0	0	111.9	C547 H549 C550 H563 L564 R565 G569	C547-H567 PolarHBondContact SG-NE2 3.2Å; H549-H567 HydrophobicContact CB-CB 4.43Å; H549-H567 WeakPolarHBondContact CB-ND1 3.49Å; H549-H567 AromaticContact CD2-CG 3.84Å; C550-H567 WeakPolarHBondContact CB-CE1 3.39Å; C550-H567 PolarHBondContact SG-CE1 3.48Å; C550-H567 PolarHBondContact SG-NE2 2.94Å; H563-H567 AromaticContact CD2-NE2 3.58Å; H563-H567 AromaticContact CE1-CD2 3.69Å; H563-H567 AromaticContact CE1-NE2 2.67Å; H563-H567 PolarHBondContact CE1-NE2 2.9Å; H563-H567 AromaticContact ND1-NE2 3.86Å; H563-H567 AromaticContact NE2-CD2 3.74Å; H563-H567 AromaticContact NE2-NE2 2.4Å; H563-H567 PolarHBondContact NE2-NE2 3.21Å; L564-H567 WeakPolarHBondContact O-CA 3.32Å; L564-H567 WeakPolarHBondContact O-CB 3.46Å; L564-H567 PolarHBondContact O-N 2.8Å; R565-H567 VanDerWaalsContact C-N 3.25Å; H567-G569 VanDerWaalsContact C-N 3.34Å
568	T	88	Confident	89.2	Confident	79 Å²	79	71.8 Å²	71.8	49%	0.485	37%	0.366	S	S	.	.	H	α-helix	trans	-79.9	-13.9	175.8	62.8	0	0	0	0	113.8	L564 E570	L564-T568 PolarHBondContact O-N 3.3Å; T568-E570 WeakPolarHBondContact CB-OE1 3.29Å; T568-E570 PolarHBondContact O-N 3.07Å; T568-E570 WeakPolarHBondContact OG1-CB 3.21Å; T568-E570 VanDerWaalsContact OG1-CD 3.3Å; T568-E570 WeakPolarHBondContact OG1-CG 3.47Å; T568-E570 PolarHBondContact OG1-N 3.25Å; T568-E570 PolarHBondContact OG1-OE1 3.36Å
569	G	87	Confident	89.3	Confident	50 Å²	50	74.4 Å²	74.4	52%	0.515	37%	0.367	S	S	.	.			trans	73.2	4.8	-174.5	0	0	0	0	0	114.3	R565 H567 K571	R565-G569 CarbonylContact O-C 3.53Å; R565-G569 WeakPolarHBondContact O-CA 3.15Å; R565-G569 PolarHBondContact O-N 3.2Å; H567-G569 VanDerWaalsContact C-N 3.34Å; G569-K571 PolarHBondContact O-N 3.11Å
570	E	86.9	Confident	89.4	Confident	94 Å²	94	77.1 Å²	77.1	44%	0.439	38%	0.375	S	S	.	.			trans	-55	121.4	-176.4	-91.1	169.1	-114.6	0	0	113.6	R565 T568 P572 S583	R565-E570 HydrophobicContact CB-CB 3.98Å; R565-E570 HydrophobicContact CG-CB 3.79Å; R565-E570 IonicContact NE-OE2 3.82Å; R565-E570 PolarHBondContact NE-OE2 3.19Å; R565-E570 PolarHBondContact O-N 3.15Å; T568-E570 WeakPolarHBondContact CB-OE1 3.29Å; T568-E570 PolarHBondContact O-N 3.07Å; T568-E570 WeakPolarHBondContact OG1-CB 3.21Å; T568-E570 VanDerWaalsContact OG1-CD 3.3Å; T568-E570 WeakPolarHBondContact OG1-CG 3.47Å; T568-E570 PolarHBondContact OG1-N 3.25Å; T568-E570 PolarHBondContact OG1-OE1 3.36Å; E570-P572 VanDerWaalsContact C-CD 3.41Å; E570-P572 WeakPolarHBondContact O-CD 3.35Å; E570-S583 WeakPolarHBondContact O-CA 3.38Å; E570-S583 WeakPolarHBondContact O-CB 3.35Å
571	K	90.9	Very high	89.5	Confident	91 Å²	91	76.9 Å²	76.9	40%	0.396	38%	0.377	S	S	.	.			trans	-123.9	65.7	179.5	-77.9	169.5	171	-175	0	111.5	D24 G569 Y573 G581 F582	D24-K571 VanDerWaalsContact OD2-CE 3.25Å; D24-K571 WeakPolarHBondContact OD2-CE 3.32Å; D24-K571 IonicContact OD2-NZ 2.81Å; D24-K571 PolarHBondContact OD2-NZ 3.49Å; G569-K571 PolarHBondContact O-N 3.11Å; K571-Y573 VanDerWaalsContact C-N 3.26Å; K571-Y573 PolarHBondContact O-N 2.88Å; K571-G581 WeakPolarHBondContact CD-O 3.47Å; K571-F582 CarbonylContact C-O 3.6Å; K571-F582 WeakPolarHBondContact CA-O 3.32Å
572	P	89.8	Confident	89.7	Confident	71 Å²	71	73.1 Å²	73.1	46%	0.461	36%	0.356	S	S	.	.			trans	-69.7	-16.7	-173.5	28.4	-35.8	0	0	0	114.4	E570	E570-P572 VanDerWaalsContact C-CD 3.41Å; E570-P572 WeakPolarHBondContact O-CD 3.35Å
573	Y	91.2	Very high	89.7	Confident	81 Å²	81	71 Å²	71	32%	0.318	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.7	179.3	-51.3	-71.6	0	0	0	109.8	K571 G581 F582 S585	K571-Y573 VanDerWaalsContact C-N 3.26Å; K571-Y573 PolarHBondContact O-N 2.88Å; Y573-G581 CarbonylContact O-C 3.23Å; Y573-G581 WeakPolarHBondContact O-CA 3.41Å; Y573-F582 WeakPolarHBondContact CD2-O 3.38Å; Y573-F582 PolarHBondContact N-O 3.41Å; Y573-F582 VanDerWaalsContact N-O 3.16Å; Y573-F582 PolarHBondContact O-N 3.33Å; Y573-S585 VanDerWaalsContact CE2-N 3.28Å
574	R	90.4	Very high	89.7	Confident	169 Å²	169	71.7 Å²	71.7	64%	0.638	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	135.5	179	-63.8	-178.7	-175	165.9	1	111.1	E576	R574-E576 PolarHBondContact O-N 3.01Å
575	C	92.1	Very high	89.8	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.358	C	S	.	.			trans	-67.2	122.2	173	-179.1	0	0	0	0	111	Y577 C578 Q579 R580 F582 H591 I592 H596	C575-Y577 PolarHBondContact O-N 2.83Å; C575-C578 PolarHBondContact O-N 3.4Å; C575-Q579 WeakPolarHBondContact O-CA 3.44Å; C575-Q579 PolarHBondContact O-N 3.35Å; C575-R580 PolarHBondContact N-O 2.69Å; C575-F582 HydrophobicContact CB-CE2 4.31Å; C575-H591 WeakPolarHBondContact CB-NE2 3.41Å; C575-H591 VanDerWaalsContact SG-CD2 3.54Å; C575-H591 PolarHBondContact SG-NE2 3.41Å; C575-I592 HydrophobicContact CB-CG1 4.49Å; C575-I592 VanDerWaalsContact SG-CG1 3.58Å; C575-H596 VanDerWaalsContact SG-CD2 3.6Å
576	E	91	Very high	89.8	Confident	145 Å²	145	72 Å²	72	68%	0.678	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.5	179.4	-67.2	161.9	-160.7	0	0	112.9	R574 Q579	R574-E576 PolarHBondContact O-N 3.01Å; E576-Q579 PolarHBondContact O-NE2 3.28Å
577	Y	89.6	Confident	89.8	Confident	142 Å²	142	70.8 Å²	70.8	56%	0.557	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-19	-174.5	-57.9	-75.3	0	0	0	115.9	C575 I592 H596	C575-Y577 PolarHBondContact O-N 2.83Å; Y577-I592 HydrophobicContact CD2-CG1 4.46Å; Y577-I592 HydrophobicContact CD2-CG2 4.3Å; Y577-I592 HydrophobicContact CE2-CG2 3.88Å; Y577-H596 VanDerWaalsContact CB-CE1 3.44Å; Y577-H596 WeakPolarHBondContact CB-CE1 3.42Å; Y577-H596 VanDerWaalsContact CB-ND1 3.32Å; Y577-H596 WeakPolarHBondContact CB-ND1 3.41Å; Y577-H596 HydrophobicContact CD2-CB 3.73Å; Y577-H596 AromaticContact CD2-CG 3.75Å; Y577-H596 HydrophobicContact CE2-CB 4.18Å; Y577-H596 HydrophobicContact CG-CB 4.09Å; Y577-H596 AromaticContact CG-CG 3.85Å; Y577-H596 AromaticContact CG-ND1 3.92Å
578	C	91.9	Very high	90.1	Very high	61 Å²	61	68.1 Å²	68.1	41%	0.412	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.9	6.1	-178	69.1	0	0	0	0	115	C575 R580 H591 H596	C575-C578 PolarHBondContact O-N 3.4Å; C578-R580 PolarHBondContact O-N 3.44Å; C578-H591 PolarHBondContact SG-NE2 3.45Å; C578-H596 PolarHBondContact SG-NE2 3.08Å; C578-H596 VanDerWaalsContact SG-NE2 3.38Å
579	Q	88.7	Confident	90.2	Very high	120 Å²	120	69.9 Å²	69.9	56%	0.561	35%	0.351	S	S	*	.			trans	57.6	2.6	-179.7	-56.6	-59.2	-34.8	0	0	116.4	C575 E576 G581	C575-Q579 WeakPolarHBondContact O-CA 3.44Å; C575-Q579 PolarHBondContact O-N 3.35Å; E576-Q579 PolarHBondContact O-NE2 3.28Å; Q579-G581 PolarHBondContact O-N 3.48Å
580	R	90	Very high	90.3	Very high	90 Å²	90	72.8 Å²	72.8	34%	0.34	35%	0.346	S	S	.	.			trans	-56.4	122	173.6	-168.1	171.8	-175.3	-179.1	1.1	109.6	E20 C575 C578 F582	E20-R580 IonicContact OE2-CZ 2.62Å; E20-R580 IonicContact OE2-NH1 3.49Å; E20-R580 PolarHBondContact OE2-NH1 3.05Å; E20-R580 IonicContact OE2-NH2 3.6Å; C575-R580 PolarHBondContact N-O 2.69Å; C578-R580 PolarHBondContact O-N 3.44Å; R580-F582 HydrophobicContact CB-CE2 4.15Å; R580-F582 HydrophobicContact CB-CZ 4.28Å; R580-F582 HydrophobicContact CG-CE2 4.16Å; R580-F582 HydrophobicContact CG-CZ 3.88Å; R580-F582 WeakPolarHBondContact O-CD2 3.46Å; R580-F582 WeakPolarHBondContact O-CE2 3.33Å
581	G	90.2	Very high	90.4	Very high	15 Å²	15	69 Å²	69	16%	0.155	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	145.6	-178.1	0	0	0	0	0	113.4	K571 Y573 Q579	K571-G581 WeakPolarHBondContact CD-O 3.47Å; Y573-G581 CarbonylContact O-C 3.23Å; Y573-G581 WeakPolarHBondContact O-CA 3.41Å; Q579-G581 PolarHBondContact O-N 3.48Å
582	F	90.9	Very high	90.4	Very high	16 Å²	16	65.6 Å²	65.6	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.4	-179.6	-58.6	-87.4	0	0	0	111.2	K571 Y573 C575 R580 I584 N587 M588 H591	K571-F582 CarbonylContact C-O 3.6Å; K571-F582 WeakPolarHBondContact CA-O 3.32Å; Y573-F582 WeakPolarHBondContact CD2-O 3.38Å; Y573-F582 PolarHBondContact N-O 3.41Å; Y573-F582 VanDerWaalsContact N-O 3.16Å; Y573-F582 PolarHBondContact O-N 3.33Å; C575-F582 HydrophobicContact CB-CE2 4.31Å; R580-F582 HydrophobicContact CB-CE2 4.15Å; R580-F582 HydrophobicContact CB-CZ 4.28Å; R580-F582 HydrophobicContact CG-CE2 4.16Å; R580-F582 HydrophobicContact CG-CZ 3.88Å; R580-F582 WeakPolarHBondContact O-CD2 3.46Å; R580-F582 WeakPolarHBondContact O-CE2 3.33Å; F582-I584 VanDerWaalsContact C-N 3.28Å; F582-I584 PolarHBondContact O-N 3.35Å; F582-N587 HydrophobicContact CB-CB 4.35Å; F582-N587 HydrophobicContact CD1-CB 4Å; F582-N587 HydrophobicContact CG-CB 4.42Å; F582-M588 HydrophobicContact CB-CB 4.19Å; F582-M588 HydrophobicContact CD2-CB 3.65Å; F582-M588 HydrophobicContact CD2-CG 3.87Å; F582-M588 HydrophobicContact CE2-CB 4.37Å; F582-M588 HydrophobicContact CE2-CG 4.33Å; F582-M588 HydrophobicContact CG-CB 4.08Å; F582-H591 HydrophobicContact CE1-CB 4.02Å; F582-H591 HydrophobicContact CE2-CB 4.04Å; F582-H591 AromaticContact CE2-CD2 3.53Å; F582-H591 AromaticContact CE2-CG 3.78Å; F582-H591 HydrophobicContact CZ-CB 3.48Å; F582-H591 VanDerWaalsContact CZ-CB 3.48Å; F582-H591 AromaticContact CZ-CD2 3.56Å; F582-H591 AromaticContact CZ-CG 3.31Å; F582-H591 AromaticContact CZ-ND1 3.79Å
583	S	88.9	Confident	90.3	Very high	10 Å²	10	66.3 Å²	66.3	7%	0.07	31%	0.308	C	S	.	.	S	Bend	trans	-73.8	-17.1	175.5	51.5	0	0	0	0	113.8	R565 E570	R565-S583 WeakPolarHBondContact CD-O 3.2Å; R565-S583 PolarHBondContact NH1-O 2.88Å; E570-S583 WeakPolarHBondContact O-CA 3.38Å; E570-S583 WeakPolarHBondContact O-CB 3.35Å
584	I	90.1	Very high	90.1	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.108	31%	0.305	C	S	.	.	S	Bend	trans	-134.9	131.1	-174.2	-39.2	175.6	0	0	0	110.6	D26 R562 F582 S586 N587 M588	D26-I584 WeakPolarHBondContact OD1-CD1 3.49Å; R562-I584 HydrophobicContact CG-CD1 4.01Å; R562-I584 HydrophobicContact CG-CG1 3.82Å; F582-I584 VanDerWaalsContact C-N 3.28Å; F582-I584 PolarHBondContact O-N 3.35Å; I584-S586 VanDerWaalsContact C-N 3.33Å; I584-S586 WeakPolarHBondContact CG2-OG 3.42Å; I584-S586 PolarHBondContact O-N 3.14Å; I584-N587 HydrophobicContact CB-CB 4.35Å; I584-N587 WeakPolarHBondContact O-CB 3.39Å; I584-N587 PolarHBondContact O-N 2.93Å; I584-M588 PolarHBondContact O-N 3.16Å
585	S	91	Very high	90	Very high	49 Å²	49	60.3 Å²	60.3	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-37.5	-179.4	52.8	0	0	0	0	113.2	Y573 N587 M588 Q589	Y573-S585 VanDerWaalsContact CE2-N 3.28Å; S585-N587 VanDerWaalsContact C-N 3.26Å; S585-N587 PolarHBondContact O-N 3.24Å; S585-M588 WeakPolarHBondContact O-CB 3.49Å; S585-M588 PolarHBondContact O-N 3.41Å; S585-Q589 WeakPolarHBondContact O-CG 3.47Å; S585-Q589 PolarHBondContact O-N 2.8Å
586	S	89	Confident	89.9	Confident	64 Å²	64	63.4 Å²	63.4	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-26.7	175.3	60.2	0	0	0	0	113.1	I584 R590	I584-S586 VanDerWaalsContact C-N 3.33Å; I584-S586 WeakPolarHBondContact CG2-OG 3.42Å; I584-S586 PolarHBondContact O-N 3.14Å; S586-R590 WeakPolarHBondContact O-CB 3.35Å; S586-R590 PolarHBondContact O-N 2.94Å
587	N	89.9	Confident	89.7	Confident	34 Å²	34	61.1 Å²	61.1	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-74.1	-42.8	171.8	-77.2	-16.4	0	0	0	111.3	F582 I584 S585 R590 H591	F582-N587 HydrophobicContact CB-CB 4.35Å; F582-N587 HydrophobicContact CD1-CB 4Å; F582-N587 HydrophobicContact CG-CB 4.42Å; I584-N587 HydrophobicContact CB-CB 4.35Å; I584-N587 WeakPolarHBondContact O-CB 3.39Å; I584-N587 PolarHBondContact O-N 2.93Å; S585-N587 VanDerWaalsContact C-N 3.26Å; S585-N587 PolarHBondContact O-N 3.24Å; N587-R590 PolarHBondContact O-N 3.46Å; N587-R590 PolarHBondContact OD1-NH2 2.92Å; N587-H591 WeakPolarHBondContact O-CB 3.1Å; N587-H591 PolarHBondContact O-N 3.17Å
588	M	94.2	Very high	89.5	Confident	28 Å²	28	63.8 Å²	63.8	14%	0.138	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-50	173.5	-173.7	-163.6	80.1	0	0	111.7	F582 I584 S585 R590 H591 I592	F582-M588 HydrophobicContact CB-CB 4.19Å; F582-M588 HydrophobicContact CD2-CB 3.65Å; F582-M588 HydrophobicContact CD2-CG 3.87Å; F582-M588 HydrophobicContact CE2-CB 4.37Å; F582-M588 HydrophobicContact CE2-CG 4.33Å; F582-M588 HydrophobicContact CG-CB 4.08Å; I584-M588 PolarHBondContact O-N 3.16Å; S585-M588 WeakPolarHBondContact O-CB 3.49Å; S585-M588 PolarHBondContact O-N 3.41Å; M588-R590 VanDerWaalsContact C-N 3.34Å; M588-R590 PolarHBondContact O-N 2.88Å; M588-H591 WeakPolarHBondContact O-CB 3.36Å; M588-H591 PolarHBondContact O-N 2.93Å; M588-H591 VanDerWaalsContact O-N 3.15Å; M588-I592 HydrophobicContact CE-CD1 3.98Å; M588-I592 HydrophobicContact CG-CD1 4.01Å; M588-I592 WeakPolarHBondContact O-CG1 3.49Å; M588-I592 PolarHBondContact O-N 3.09Å; M588-I592 HydrophobicContact SD-CD1 4.49Å
589	Q	90.2	Very high	89.1	Confident	117 Å²	117	64.8 Å²	64.8	55%	0.547	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-41.3	177	-73.2	179.4	-19.5	0	0	112.1	S585 H591 I592 R593	S585-Q589 WeakPolarHBondContact O-CG 3.47Å; S585-Q589 PolarHBondContact O-N 2.8Å; Q589-H591 VanDerWaalsContact C-N 3.34Å; Q589-I592 PolarHBondContact O-N 3.12Å; Q589-R593 VanDerWaalsContact O-CB 3.3Å; Q589-R593 WeakPolarHBondContact O-CB 3.48Å; Q589-R593 PolarHBondContact O-N 2.97Å
590	R	88.5	Confident	89	Confident	110 Å²	110	66 Å²	66	42%	0.415	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-38.3	174.8	179.2	166.3	65.5	132.7	-3.9	111.9	S586 N587 M588 N594 Q613	S586-R590 WeakPolarHBondContact O-CB 3.35Å; S586-R590 PolarHBondContact O-N 2.94Å; N587-R590 PolarHBondContact O-N 3.46Å; N587-R590 PolarHBondContact OD1-NH2 2.92Å; M588-R590 VanDerWaalsContact C-N 3.34Å; M588-R590 PolarHBondContact O-N 2.88Å; R590-N594 VanDerWaalsContact O-CB 3.29Å; R590-N594 WeakPolarHBondContact O-CB 3.5Å; R590-N594 PolarHBondContact O-N 2.86Å; R590-N594 PolarHBondContact O-ND2 3Å; R590-N594 VanDerWaalsContact O-ND2 3.16Å; R590-N594 PolarHBondContact O-OD1 3.18Å; R590-Q613 HydrophobicContact CG-CG 4.36Å
591	H	90.8	Very high	88.8	Confident	15 Å²	15	64.2 Å²	64.2	7%	0.069	30%	0.304	C	S	.	.	H	α-helix	trans	-66.5	-48.1	174.7	156.7	81.3	0	0	0	112	C575 C578 F582 N587 M588 Q589 R593 N594 I595 H596	C575-H591 WeakPolarHBondContact CB-NE2 3.41Å; C575-H591 VanDerWaalsContact SG-CD2 3.54Å; C575-H591 PolarHBondContact SG-NE2 3.41Å; C578-H591 PolarHBondContact SG-NE2 3.45Å; F582-H591 HydrophobicContact CE1-CB 4.02Å; F582-H591 HydrophobicContact CE2-CB 4.04Å; F582-H591 AromaticContact CE2-CD2 3.53Å; F582-H591 AromaticContact CE2-CG 3.78Å; F582-H591 HydrophobicContact CZ-CB 3.48Å; F582-H591 VanDerWaalsContact CZ-CB 3.48Å; F582-H591 AromaticContact CZ-CD2 3.56Å; F582-H591 AromaticContact CZ-CG 3.31Å; F582-H591 AromaticContact CZ-ND1 3.79Å; N587-H591 WeakPolarHBondContact O-CB 3.1Å; N587-H591 PolarHBondContact O-N 3.17Å; M588-H591 WeakPolarHBondContact O-CB 3.36Å; M588-H591 PolarHBondContact O-N 2.93Å; M588-H591 VanDerWaalsContact O-N 3.15Å; Q589-H591 VanDerWaalsContact C-N 3.34Å; H591-R593 VanDerWaalsContact C-N 3.32Å; H591-R593 PolarHBondContact O-N 3.41Å; H591-N594 PolarHBondContact O-N 3.5Å; H591-I595 WeakPolarHBondContact O-CB 3.3Å; H591-I595 PolarHBondContact O-N 2.93Å; H591-H596 AromaticContact CE1-NE2 3.7Å; H591-H596 AromaticContact NE2-CD2 3.67Å; H591-H596 AromaticContact NE2-NE2 3.4Å; H591-H596 PolarHBondContact NE2-NE2 3.36Å
592	I	90.4	Very high	88.7	Confident	19 Å²	19	65.5 Å²	65.5	10%	0.097	31%	0.306	C	S	.	.	I	π-helix	trans	-55.2	-49.3	174.8	-69.5	165.1	0	0	0	110.2	C575 Y577 M588 Q589 N594 H596 Q597	C575-I592 HydrophobicContact CB-CG1 4.49Å; C575-I592 VanDerWaalsContact SG-CG1 3.58Å; Y577-I592 HydrophobicContact CD2-CG1 4.46Å; Y577-I592 HydrophobicContact CD2-CG2 4.3Å; Y577-I592 HydrophobicContact CE2-CG2 3.88Å; M588-I592 HydrophobicContact CE-CD1 3.98Å; M588-I592 HydrophobicContact CG-CD1 4.01Å; M588-I592 WeakPolarHBondContact O-CG1 3.49Å; M588-I592 PolarHBondContact O-N 3.09Å; M588-I592 HydrophobicContact SD-CD1 4.49Å; Q589-I592 PolarHBondContact O-N 3.12Å; I592-N594 PolarHBondContact O-N 3.27Å; I592-H596 PolarHBondContact O-N 2.99Å; I592-Q597 HydrophobicContact CG2-CG 4.11Å; I592-Q597 PolarHBondContact O-N 3.22Å
593	R	87.5	Confident	88.6	Confident	87 Å²	87	69.3 Å²	69.3	33%	0.328	33%	0.326	S	S	.	.	I	π-helix	trans	-58.2	-49.6	177.3	-168.2	178.4	-65.3	-172.6	0.5	112.7	Q589 H591 R598 E599	Q589-R593 VanDerWaalsContact O-CB 3.3Å; Q589-R593 WeakPolarHBondContact O-CB 3.48Å; Q589-R593 PolarHBondContact O-N 2.97Å; H591-R593 VanDerWaalsContact C-N 3.32Å; H591-R593 PolarHBondContact O-N 3.41Å; R593-R598 CarbonylContact O-C 3.6Å; R593-R598 WeakPolarHBondContact O-CA 3.43Å; R593-R598 PolarHBondContact O-N 2.95Å; R593-E599 HydrophobicContact CG-CB 3.41Å; R593-E599 VanDerWaalsContact CG-CB 3.41Å; R593-E599 HydrophobicContact CG-CG 4.43Å; R593-E599 IonicContact NE-OE2 3.27Å; R593-E599 PolarHBondContact O-N 2.92Å
594	N	86.7	Confident	88.6	Confident	47 Å²	47	68.8 Å²	68.8	25%	0.251	32%	0.322	S	S	.	.	I	π-helix	trans	-70.3	-43.5	-174.9	-65.4	-14.1	0	0	0	113	R590 H591 I592 A612 Q613	R590-N594 VanDerWaalsContact O-CB 3.29Å; R590-N594 WeakPolarHBondContact O-CB 3.5Å; R590-N594 PolarHBondContact O-N 2.86Å; R590-N594 PolarHBondContact O-ND2 3Å; R590-N594 VanDerWaalsContact O-ND2 3.16Å; R590-N594 PolarHBondContact O-OD1 3.18Å; H591-N594 PolarHBondContact O-N 3.5Å; I592-N594 PolarHBondContact O-N 3.27Å; N594-A612 WeakPolarHBondContact OD1-CB 3.18Å; N594-Q613 PolarHBondContact ND2-NE2 2.83Å
595	I	89	Confident	88.6	Confident	76 Å²	76	72.3 Å²	72.3	39%	0.39	35%	0.345	S	S	.	.	I	π-helix	trans	-101.5	-49.1	-165.5	-58.5	-164.7	0	0	0	111.9	H591 R598	H591-I595 WeakPolarHBondContact O-CB 3.3Å; H591-I595 PolarHBondContact O-N 2.93Å; I595-R598 WeakPolarHBondContact O-CG 3.44Å
596	H	89.3	Confident	88.3	Confident	65 Å²	65	73.3 Å²	73.3	30%	0.301	35%	0.346	S	S	.	.	I	π-helix	trans	-88.5	-49.5	-172.5	-64.3	-72.3	0	0	0	111.9	C575 Y577 C578 H591 I592	C575-H596 VanDerWaalsContact SG-CD2 3.6Å; Y577-H596 VanDerWaalsContact CB-CE1 3.44Å; Y577-H596 WeakPolarHBondContact CB-CE1 3.42Å; Y577-H596 VanDerWaalsContact CB-ND1 3.32Å; Y577-H596 WeakPolarHBondContact CB-ND1 3.41Å; Y577-H596 HydrophobicContact CD2-CB 3.73Å; Y577-H596 AromaticContact CD2-CG 3.75Å; Y577-H596 HydrophobicContact CE2-CB 4.18Å; Y577-H596 HydrophobicContact CG-CB 4.09Å; Y577-H596 AromaticContact CG-CG 3.85Å; Y577-H596 AromaticContact CG-ND1 3.92Å; C578-H596 PolarHBondContact SG-NE2 3.08Å; C578-H596 VanDerWaalsContact SG-NE2 3.38Å; H591-H596 AromaticContact CE1-NE2 3.7Å; H591-H596 AromaticContact NE2-CD2 3.67Å; H591-H596 AromaticContact NE2-NE2 3.4Å; H591-H596 PolarHBondContact NE2-NE2 3.36Å; I592-H596 PolarHBondContact O-N 2.99Å
597	Q	87.6	Confident	88.3	Confident	97 Å²	97	73.1 Å²	73.1	45%	0.453	34%	0.344	S	S	.	.	S	Bend	trans	-81.3	-21.2	176.5	-63	171.6	-45.1	0	0	112.8	I592 E599	I592-Q597 HydrophobicContact CG2-CG 4.11Å; I592-Q597 PolarHBondContact O-N 3.22Å; Q597-E599 HydrophobicContact CB-CB 4.31Å; Q597-E599 HydrophobicContact CB-CG 4.23Å; Q597-E599 PolarHBondContact O-N 3.04Å; Q597-E599 VanDerWaalsContact O-N 3.07Å
598	R	85.1	Confident	88.2	Confident	199 Å²	199	78.5 Å²	78.5	75%	0.751	37%	0.365	S	S	*	.			trans	54.1	22.5	-175.5	-58.2	-178.6	175.3	-172.2	-1.8	114.4	R593 I595	R593-R598 CarbonylContact O-C 3.6Å; R593-R598 WeakPolarHBondContact O-CA 3.43Å; R593-R598 PolarHBondContact O-N 2.95Å; I595-R598 WeakPolarHBondContact O-CG 3.44Å
599	E	84	Confident	87.9	Confident	82 Å²	82	84.7 Å²	84.7	38%	0.383	39%	0.387	S	S	.	.			trans	-64.9	136.4	-174.7	-105	-178.7	-138.8	0	0	112.2	R593 Q597 P601 A612	R593-E599 HydrophobicContact CG-CB 3.41Å; R593-E599 VanDerWaalsContact CG-CB 3.41Å; R593-E599 HydrophobicContact CG-CG 4.43Å; R593-E599 IonicContact NE-OE2 3.27Å; R593-E599 PolarHBondContact O-N 2.92Å; Q597-E599 HydrophobicContact CB-CB 4.31Å; Q597-E599 HydrophobicContact CB-CG 4.23Å; Q597-E599 PolarHBondContact O-N 3.04Å; Q597-E599 VanDerWaalsContact O-N 3.07Å; E599-P601 VanDerWaalsContact C-CD 3.48Å; E599-A612 WeakPolarHBondContact O-CA 3.32Å; E599-A612 WeakPolarHBondContact O-CB 3.04Å
600	R	85.6	Confident	87.8	Confident	145 Å²	145	80.5 Å²	80.5	55%	0.547	37%	0.373	S	S	.	.			trans	-129.8	59.3	-177.5	-68.8	173.3	174.4	-107.3	1.6	112.9	F602 A610 F611 A612	R600-F602 PolarHBondContact O-N 2.93Å; R600-F602 VanDerWaalsContact O-N 3.17Å; R600-A610 HydrophobicContact CB-CB 3.66Å; R600-A610 PolarHBondContact NH1-O 3.03Å; R600-F611 CarbonylContact C-O 3.55Å; R600-F611 VanDerWaalsContact C-O 3.23Å; R600-F611 WeakPolarHBondContact CA-O 3.47Å; R600-A612 HydrophobicContact CG-CB 4.37Å
601	P	85.9	Confident	87.8	Confident	53 Å²	53	76.6 Å²	76.6	34%	0.344	36%	0.358	S	S	.	.			trans	-66.4	-18.9	-172.3	27.2	-35.8	0	0	0	114.4	E599 I603	E599-P601 VanDerWaalsContact C-CD 3.48Å; P601-I603 PolarHBondContact O-N 3.17Å
602	F	88.9	Confident	87.5	Confident	42 Å²	42	76.9 Å²	76.9	18%	0.184	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	84.8	-177.1	-55.4	-71.7	0	0	0	110.7	R600 F611 R614 L617	R600-F602 PolarHBondContact O-N 2.93Å; R600-F602 VanDerWaalsContact O-N 3.17Å; F602-F611 HydrophobicContact CB-CB 4.31Å; F602-F611 WeakPolarHBondContact CB-O 3.41Å; F602-F611 PolarHBondContact N-O 3.16Å; F602-F611 WeakPolarHBondContact O-CB 3.48Å; F602-F611 WeakPolarHBondContact O-CD2 3.37Å; F602-F611 PolarHBondContact O-N 3.34Å; F602-R614 HydrophobicContact CD1-CB 3.83Å; F602-R614 HydrophobicContact CD1-CG 4.03Å; F602-R614 HydrophobicContact CD2-CB 4.41Å; F602-R614 VanDerWaalsContact CD2-N 3.29Å; F602-R614 HydrophobicContact CE1-CB 3.77Å; F602-R614 HydrophobicContact CE1-CG 4.13Å; F602-R614 HydrophobicContact CE2-CB 4.33Å; F602-R614 HydrophobicContact CG-CB 4.16Å; F602-R614 HydrophobicContact CZ-CB 4.02Å; F602-L617 HydrophobicContact CB-CB 3.99Å; F602-L617 HydrophobicContact CB-CD2 3.84Å
603	I	88.2	Confident	87.4	Confident	95 Å²	95	77.9 Å²	77.9	49%	0.487	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	137.4	-179.2	-60.6	176	0	0	0	111.4	P601 T605 A610	P601-I603 PolarHBondContact O-N 3.17Å; I603-T605 PolarHBondContact O-N 3.49Å; I603-A610 HydrophobicContact CG1-CB 4.15Å
604	C	89.9	Confident	87.4	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	38%	0.375	C	S	.	.			trans	-74.1	121.1	171.2	-170.1	0	0	0	0	111.6	I606 K608 R609 F611 L617 H620 H624	C604-I606 PolarHBondContact O-N 3.11Å; C604-K608 WeakPolarHBondContact O-CA 3.09Å; C604-K608 PolarHBondContact O-N 2.76Å; C604-R609 WeakPolarHBondContact CB-O 3.47Å; C604-R609 PolarHBondContact N-O 3.4Å; C604-F611 HydrophobicContact CB-CE2 4.43Å; C604-L617 HydrophobicContact CB-CD1 3.71Å; C604-H620 WeakPolarHBondContact CB-NE2 3.46Å; C604-H620 PolarHBondContact SG-NE2 3.29Å; C604-H624 VanDerWaalsContact SG-CD2 3.53Å
605	T	88.9	Confident	87.5	Confident	95 Å²	95	81.9 Å²	81.9	58%	0.583	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.8	178	44.5	0	0	0	0	113	I603 K608	I603-T605 PolarHBondContact O-N 3.49Å; T605-K608 PolarHBondContact O-NZ 3.09Å; T605-K608 VanDerWaalsContact O-NZ 3.09Å
606	I	84.5	Confident	87.5	Confident	70 Å²	70	80.7 Å²	80.7	36%	0.359	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-67.3	-176.9	-56.9	173.4	0	0	0	111.2	C604 H624 W625	C604-I606 PolarHBondContact O-N 3.11Å; I606-H624 HydrophobicContact CD1-CB 3.69Å; I606-W625 HydrophobicContact CD1-CZ2 4.44Å
607	C	89.4	Confident	87.6	Confident	60 Å²	60	78 Å²	78	41%	0.405	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	6.8	-176.5	73.8	0	0	0	0	116	R609 H620 H624	C607-R609 PolarHBondContact O-N 3.02Å; C607-R609 WeakPolarHBondContact SG-CB 3.42Å; C607-H620 PolarHBondContact SG-CE1 3.38Å; C607-H620 PolarHBondContact SG-NE2 2.93Å; C607-H624 PolarHBondContact SG-NE2 3.07Å
608	K	88.3	Confident	87.6	Confident	146 Å²	146	77 Å²	77	64%	0.635	37%	0.37	S	S	*	.			trans	60.5	2.4	-176.5	-48.2	-53.4	-175.8	-166.7	0	116.4	C604 T605 A610	C604-K608 WeakPolarHBondContact O-CA 3.09Å; C604-K608 PolarHBondContact O-N 2.76Å; T605-K608 PolarHBondContact O-NZ 3.09Å; T605-K608 VanDerWaalsContact O-NZ 3.09Å; K608-A610 PolarHBondContact O-N 2.98Å
609	R	87.2	Confident	87.7	Confident	159 Å²	159	74.4 Å²	74.4	60%	0.6	36%	0.36	S	S	*	.			trans	-59.6	132.4	173.7	-170	170.2	-177.2	168.3	1.9	111	C604 C607 F611	C604-R609 WeakPolarHBondContact CB-O 3.47Å; C604-R609 PolarHBondContact N-O 3.4Å; C607-R609 PolarHBondContact O-N 3.02Å; C607-R609 WeakPolarHBondContact SG-CB 3.42Å; R609-F611 HydrophobicContact CB-CE2 3.94Å; R609-F611 HydrophobicContact CB-CZ 4.24Å; R609-F611 HydrophobicContact CG-CE2 3.84Å; R609-F611 HydrophobicContact CG-CZ 3.75Å; R609-F611 WeakPolarHBondContact O-CD2 3.49Å; R609-F611 VanDerWaalsContact O-CE2 3.26Å; R609-F611 WeakPolarHBondContact O-CE2 3.44Å
610	A	88.8	Confident	87.9	Confident	29 Å²	29	71.9 Å²	71.9	24%	0.24	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137	-172.2	0	0	0	0	0	112.7	R600 I603 K608	R600-A610 HydrophobicContact CB-CB 3.66Å; R600-A610 PolarHBondContact NH1-O 3.03Å; I603-A610 HydrophobicContact CG1-CB 4.15Å; K608-A610 PolarHBondContact O-N 2.98Å
611	F	87.1	Confident	88	Confident	27 Å²	27	67.8 Å²	67.8	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.1	-175.6	-61.1	-92	0	0	0	111.9	R600 F602 C604 R609 N616 L617 H620	R600-F611 CarbonylContact C-O 3.55Å; R600-F611 VanDerWaalsContact C-O 3.23Å; R600-F611 WeakPolarHBondContact CA-O 3.47Å; F602-F611 HydrophobicContact CB-CB 4.31Å; F602-F611 WeakPolarHBondContact CB-O 3.41Å; F602-F611 PolarHBondContact N-O 3.16Å; F602-F611 WeakPolarHBondContact O-CB 3.48Å; F602-F611 WeakPolarHBondContact O-CD2 3.37Å; F602-F611 PolarHBondContact O-N 3.34Å; C604-F611 HydrophobicContact CB-CE2 4.43Å; R609-F611 HydrophobicContact CB-CE2 3.94Å; R609-F611 HydrophobicContact CB-CZ 4.24Å; R609-F611 HydrophobicContact CG-CE2 3.84Å; R609-F611 HydrophobicContact CG-CZ 3.75Å; R609-F611 WeakPolarHBondContact O-CD2 3.49Å; R609-F611 VanDerWaalsContact O-CE2 3.26Å; R609-F611 WeakPolarHBondContact O-CE2 3.44Å; F611-N616 HydrophobicContact CB-CB 4.42Å; F611-N616 HydrophobicContact CD1-CB 3.97Å; F611-L617 HydrophobicContact CB-CB 4.25Å; F611-L617 HydrophobicContact CD2-CB 4.15Å; F611-L617 HydrophobicContact CD2-CD1 3.89Å; F611-L617 HydrophobicContact CE2-CD1 4.21Å; F611-L617 HydrophobicContact CG-CB 4.32Å; F611-H620 HydrophobicContact CE1-CB 3.88Å; F611-H620 HydrophobicContact CE2-CB 3.98Å; F611-H620 AromaticContact CE2-CD2 3.15Å; F611-H620 WeakPolarHBondContact CE2-CD2 2.94Å; F611-H620 AromaticContact CE2-CG 3.61Å; F611-H620 AromaticContact CE2-NE2 3.75Å; F611-H620 HydrophobicContact CZ-CB 3.45Å; F611-H620 VanDerWaalsContact CZ-CB 3.45Å; F611-H620 AromaticContact CZ-CD2 3.31Å; F611-H620 WeakPolarHBondContact CZ-CD2 3.48Å; F611-H620 AromaticContact CZ-CG 3.23Å; F611-H620 AromaticContact CZ-ND1 3.82Å; F611-H620 AromaticContact CZ-NE2 3.9Å
612	A	85.7	Confident	88	Confident	22 Å²	22	71.5 Å²	71.5	18%	0.182	34%	0.342	C	S	.	.	S	Bend	trans	-80.6	-14.7	178.4	0	0	0	0	0	113.6	N594 E599 R600	N594-A612 WeakPolarHBondContact OD1-CB 3.18Å; E599-A612 WeakPolarHBondContact O-CA 3.32Å; E599-A612 WeakPolarHBondContact O-CB 3.04Å; R600-A612 HydrophobicContact CG-CB 4.37Å
613	Q	87.5	Confident	87.5	Confident	40 Å²	40	73.2 Å²	73.2	19%	0.187	35%	0.353	C	S	.	.	S	Bend	trans	-133.9	136.1	179.8	-54.3	-173.4	38.7	0	0	111.5	R590 N594 T615 N616 L617	R590-Q613 HydrophobicContact CG-CG 4.36Å; N594-Q613 PolarHBondContact ND2-NE2 2.83Å; Q613-T615 VanDerWaalsContact C-N 3.29Å; Q613-T615 PolarHBondContact O-N 3.16Å; Q613-N616 HydrophobicContact CB-CB 4.45Å; Q613-N616 WeakPolarHBondContact O-CB 2.73Å; Q613-N616 PolarHBondContact O-N 3.44Å; Q613-L617 PolarHBondContact O-N 3.01Å; Q613-L617 VanDerWaalsContact O-N 3.16Å
614	R	88.5	Confident	87.1	Confident	124 Å²	124	69.8 Å²	69.8	47%	0.468	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-38.9	-180	-163.3	-177.6	-80.8	-108.1	10.8	112	D408 F602 N616 L617 D618	D408-R614 IonicContact OD1-NH2 2.73Å; D408-R614 PolarHBondContact OD1-NH2 3.01Å; D408-R614 IonicContact OD2-NH2 3.33Å; D408-R614 PolarHBondContact OD2-NH2 3.12Å; D408-R614 VanDerWaalsContact OD2-NH2 3.16Å; F602-R614 HydrophobicContact CD1-CB 3.83Å; F602-R614 HydrophobicContact CD1-CG 4.03Å; F602-R614 HydrophobicContact CD2-CB 4.41Å; F602-R614 VanDerWaalsContact CD2-N 3.29Å; F602-R614 HydrophobicContact CE1-CB 3.77Å; F602-R614 HydrophobicContact CE1-CG 4.13Å; F602-R614 HydrophobicContact CE2-CB 4.33Å; F602-R614 HydrophobicContact CG-CB 4.16Å; F602-R614 HydrophobicContact CZ-CB 4.02Å; R614-N616 VanDerWaalsContact C-N 3.33Å; R614-N616 PolarHBondContact O-N 3.48Å; R614-L617 WeakPolarHBondContact O-CB 3.13Å; R614-L617 PolarHBondContact O-N 3.42Å; R614-L617 VanDerWaalsContact O-N 3.13Å; R614-D618 PolarHBondContact O-N 3.09Å
615	T	87.5	Confident	86.1	Confident	94 Å²	94	76.9 Å²	76.9	58%	0.577	36%	0.361	S	S	*	.	H	α-helix	trans	-58.7	-38.1	174.1	49	0	0	0	0	113.6	Q613 D618 R619	Q613-T615 VanDerWaalsContact C-N 3.29Å; Q613-T615 PolarHBondContact O-N 3.16Å; T615-D618 PolarHBondContact O-N 3.42Å; T615-R619 WeakPolarHBondContact O-CB 2.31Å; T615-R619 PolarHBondContact O-N 3.1Å
616	N	89.5	Confident	84.8	Confident	50 Å²	50	77.3 Å²	77.3	27%	0.267	36%	0.36	S	S	.	.	H	α-helix	trans	-71.9	-37.5	175.2	-82.1	-33.1	0	0	0	111.6	F611 Q613 R614 R619 H620	F611-N616 HydrophobicContact CB-CB 4.42Å; F611-N616 HydrophobicContact CD1-CB 3.97Å; Q613-N616 HydrophobicContact CB-CB 4.45Å; Q613-N616 WeakPolarHBondContact O-CB 2.73Å; Q613-N616 PolarHBondContact O-N 3.44Å; R614-N616 VanDerWaalsContact C-N 3.33Å; R614-N616 PolarHBondContact O-N 3.48Å; N616-R619 PolarHBondContact O-N 3.25Å; N616-R619 PolarHBondContact OD1-NH2 2.76Å; N616-H620 VanDerWaalsContact O-CB 3.32Å; N616-H620 WeakPolarHBondContact O-CB 2.31Å; N616-H620 PolarHBondContact O-N 3.48Å
617	L	90.8	Very high	83.6	Confident	10 Å²	10	81 Å²	81	5%	0.052	38%	0.375	C	S	.	.	H	α-helix	trans	-61.2	-44.7	170.5	173.1	61.2	0	0	0	111.4	F602 C604 F611 Q613 R614 H620 K621	F602-L617 HydrophobicContact CB-CB 3.99Å; F602-L617 HydrophobicContact CB-CD2 3.84Å; C604-L617 HydrophobicContact CB-CD1 3.71Å; F611-L617 HydrophobicContact CB-CB 4.25Å; F611-L617 HydrophobicContact CD2-CB 4.15Å; F611-L617 HydrophobicContact CD2-CD1 3.89Å; F611-L617 HydrophobicContact CE2-CD1 4.21Å; F611-L617 HydrophobicContact CG-CB 4.32Å; Q613-L617 PolarHBondContact O-N 3.01Å; Q613-L617 VanDerWaalsContact O-N 3.16Å; R614-L617 WeakPolarHBondContact O-CB 3.13Å; R614-L617 PolarHBondContact O-N 3.42Å; R614-L617 VanDerWaalsContact O-N 3.13Å; L617-H620 PolarHBondContact O-N 2.96Å; L617-K621 HydrophobicContact CD1-CD 4.28Å; L617-K621 HydrophobicContact CD1-CG 4.1Å; L617-K621 HydrophobicContact CG-CD 4.2Å; L617-K621 HydrophobicContact CG-CG 4.45Å; L617-K621 WeakPolarHBondContact O-CB 2.3Å; L617-K621 WeakPolarHBondContact O-CG 2.88Å; L617-K621 PolarHBondContact O-N 2.86Å
618	D	87.8	Confident	81.7	Confident	74 Å²	74	83.6 Å²	83.6	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-71.9	-30.6	-179.1	-68.8	-37.7	0	0	0	112.9	R614 T615 R622	R614-D618 PolarHBondContact O-N 3.09Å; T615-D618 PolarHBondContact O-N 3.42Å; D618-R622 PolarHBondContact O-N 3.18Å
619	R	87.5	Confident	79.2	Confident	145 Å²	145	83 Å²	83	55%	0.547	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-51	166	179.8	165.8	58.1	158	-3.2	110.9	T615 N616 K621 R622 N623	T615-R619 WeakPolarHBondContact O-CB 2.31Å; T615-R619 PolarHBondContact O-N 3.1Å; N616-R619 PolarHBondContact O-N 3.25Å; N616-R619 PolarHBondContact OD1-NH2 2.76Å; R619-K621 VanDerWaalsContact C-N 3.34Å; R619-K621 PolarHBondContact O-N 2.78Å; R619-R622 WeakPolarHBondContact O-CB 2.29Å; R619-R622 PolarHBondContact O-N 2.82Å; R619-R622 VanDerWaalsContact O-N 3.08Å; R619-N623 PolarHBondContact O-N 3.35Å; R619-N623 PolarHBondContact O-OD1 3.34Å; R619-N623 VanDerWaalsContact O-OD1 3.14Å
620	H	88.8	Confident	78.8	Confident	29 Å²	29	79.2 Å²	79.2	13%	0.134	39%	0.389	C	S	.	.	H	α-helix	trans	-61.9	-38.1	178	162.8	66	0	0	0	113.4	C604 C607 F611 N616 L617 R622 N623 H624	C604-H620 WeakPolarHBondContact CB-NE2 3.46Å; C604-H620 PolarHBondContact SG-NE2 3.29Å; C607-H620 PolarHBondContact SG-CE1 3.38Å; C607-H620 PolarHBondContact SG-NE2 2.93Å; F611-H620 HydrophobicContact CE1-CB 3.88Å; F611-H620 HydrophobicContact CE2-CB 3.98Å; F611-H620 AromaticContact CE2-CD2 3.15Å; F611-H620 WeakPolarHBondContact CE2-CD2 2.94Å; F611-H620 AromaticContact CE2-CG 3.61Å; F611-H620 AromaticContact CE2-NE2 3.75Å; F611-H620 HydrophobicContact CZ-CB 3.45Å; F611-H620 VanDerWaalsContact CZ-CB 3.45Å; F611-H620 AromaticContact CZ-CD2 3.31Å; F611-H620 WeakPolarHBondContact CZ-CD2 3.48Å; F611-H620 AromaticContact CZ-CG 3.23Å; F611-H620 AromaticContact CZ-ND1 3.82Å; F611-H620 AromaticContact CZ-NE2 3.9Å; N616-H620 VanDerWaalsContact O-CB 3.32Å; N616-H620 WeakPolarHBondContact O-CB 2.31Å; N616-H620 PolarHBondContact O-N 3.48Å; L617-H620 PolarHBondContact O-N 2.96Å; H620-R622 VanDerWaalsContact C-N 3.28Å; H620-R622 PolarHBondContact O-N 3.47Å; H620-N623 WeakPolarHBondContact O-CB 3.09Å; H620-N623 PolarHBondContact O-N 3.28Å; H620-N623 VanDerWaalsContact O-N 3.11Å; H620-H624 AromaticContact CE1-CD2 3.74Å; H620-H624 AromaticContact CE1-CE1 3.9Å; H620-H624 AromaticContact CE1-NE2 3.2Å; H620-H624 PolarHBondContact CE1-NE2 2.84Å; H620-H624 AromaticContact NE2-CD2 3.65Å; H620-H624 AromaticContact NE2-NE2 3.18Å; H620-H624 PolarHBondContact NE2-NE2 3.37Å; H620-H624 VanDerWaalsContact NE2-NE2 3.18Å; H620-H624 PolarHBondContact O-N 3.31Å
621	K	86.5	Confident	78.3	Confident	59 Å²	59	81.8 Å²	81.8	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-59.6	-37	173	-80.7	176.9	175.8	174.3	0	111.7	L617 R619 N623 H624 W625	L617-K621 HydrophobicContact CD1-CD 4.28Å; L617-K621 HydrophobicContact CD1-CG 4.1Å; L617-K621 HydrophobicContact CG-CD 4.2Å; L617-K621 HydrophobicContact CG-CG 4.45Å; L617-K621 WeakPolarHBondContact O-CB 2.3Å; L617-K621 WeakPolarHBondContact O-CG 2.88Å; L617-K621 PolarHBondContact O-N 2.86Å; R619-K621 VanDerWaalsContact C-N 3.34Å; R619-K621 PolarHBondContact O-N 2.78Å; K621-N623 VanDerWaalsContact C-N 3.31Å; K621-N623 PolarHBondContact O-N 2.83Å; K621-H624 PolarHBondContact O-N 3.02Å; K621-W625 PolarHBondContact O-NE1 2.44Å
622	R	85.9	Confident	77.8	Confident	132 Å²	132	84.8 Å²	84.8	50%	0.498	41%	0.412	S	S	.	.	H	α-helix	trans	-57.7	-43.4	173.1	-76.7	179	-79	176.2	-1.3	111.7	D618 R619 H620 H624 W625 L626	D618-R622 PolarHBondContact O-N 3.18Å; R619-R622 WeakPolarHBondContact O-CB 2.29Å; R619-R622 PolarHBondContact O-N 2.82Å; R619-R622 VanDerWaalsContact O-N 3.08Å; H620-R622 VanDerWaalsContact C-N 3.28Å; H620-R622 PolarHBondContact O-N 3.47Å; R622-H624 VanDerWaalsContact C-N 3.28Å; R622-H624 PolarHBondContact O-N 3.36Å; R622-W625 PolarHBondContact O-N 3.05Å; R622-W625 VanDerWaalsContact O-N 3.09Å; R622-L626 PolarHBondContact O-N 3.41Å
623	N	80.1	Confident	77.3	Confident	77 Å²	77	88.5 Å²	88.5	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-63.3	-30	177.6	-63.4	43.9	0	0	0	113.2	R619 H620 K621 W625 L626 H627	R619-N623 PolarHBondContact O-N 3.35Å; R619-N623 PolarHBondContact O-OD1 3.34Å; R619-N623 VanDerWaalsContact O-OD1 3.14Å; H620-N623 WeakPolarHBondContact O-CB 3.09Å; H620-N623 PolarHBondContact O-N 3.28Å; H620-N623 VanDerWaalsContact O-N 3.11Å; K621-N623 VanDerWaalsContact C-N 3.31Å; K621-N623 PolarHBondContact O-N 2.83Å; N623-W625 VanDerWaalsContact C-N 3.33Å; N623-W625 PolarHBondContact O-N 2.43Å; N623-L626 PolarHBondContact O-N 2.8Å; N623-L626 VanDerWaalsContact O-N 3.15Å; N623-H627 PolarHBondContact O-CD2 3.27Å; N623-H627 VanDerWaalsContact O-CD2 3.28Å; N623-H627 PolarHBondContact O-N 3.48Å; N623-H627 VanDerWaalsContact O-N 3.11Å
624	H	79	Confident	76.7	Confident	24 Å²	24	91.6 Å²	91.6	11%	0.111	44%	0.441	C	S	.	.	H	α-helix	trans	-64.3	-36.1	172.6	-81.9	-51.9	0	0	0	113.2	C604 I606 C607 H620 K621 R622 L626 H627 N628	C604-H624 VanDerWaalsContact SG-CD2 3.53Å; I606-H624 HydrophobicContact CD1-CB 3.69Å; C607-H624 PolarHBondContact SG-NE2 3.07Å; H620-H624 AromaticContact CE1-CD2 3.74Å; H620-H624 AromaticContact CE1-CE1 3.9Å; H620-H624 AromaticContact CE1-NE2 3.2Å; H620-H624 PolarHBondContact CE1-NE2 2.84Å; H620-H624 AromaticContact NE2-CD2 3.65Å; H620-H624 AromaticContact NE2-NE2 3.18Å; H620-H624 PolarHBondContact NE2-NE2 3.37Å; H620-H624 VanDerWaalsContact NE2-NE2 3.18Å; H620-H624 PolarHBondContact O-N 3.31Å; K621-H624 PolarHBondContact O-N 3.02Å; R622-H624 VanDerWaalsContact C-N 3.28Å; R622-H624 PolarHBondContact O-N 3.36Å; H624-L626 PolarHBondContact O-N 2.88Å; H624-H627 PolarHBondContact O-N 2.43Å; H624-N628 VanDerWaalsContact O-CB 3.23Å; H624-N628 WeakPolarHBondContact O-CB 3.31Å; H624-N628 PolarHBondContact O-N 2.39Å
625	W	67.8	Low	75.9	Confident	148 Å²	148	89.4 Å²	89.4	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-77.2	-4	175.7	-49.1	105.6	0	0	0	113.4	I606 K621 R622 N623	I606-W625 HydrophobicContact CD1-CZ2 4.44Å; K621-W625 PolarHBondContact O-NE1 2.44Å; R622-W625 PolarHBondContact O-N 3.05Å; R622-W625 VanDerWaalsContact O-N 3.09Å; N623-W625 VanDerWaalsContact C-N 3.33Å; N623-W625 PolarHBondContact O-N 2.43Å
626	L	62.6	Low	75.1	Confident	105 Å²	105	89.1 Å²	89.1	55%	0.55	43%	0.429	S	S	.	.	H	α-helix	trans	-106.8	-10.7	175.6	-65.1	170.6	0	0	0	113.4	R622 N623 H624	R622-L626 PolarHBondContact O-N 3.41Å; N623-L626 PolarHBondContact O-N 2.8Å; N623-L626 VanDerWaalsContact O-N 3.15Å; H624-L626 PolarHBondContact O-N 2.88Å
627	H	59.2	Low	74	Confident	146 Å²	146	92.1 Å²	92.1	68%	0.676	44%	0.441	S	S	*	.	H	α-helix	trans	-125	-7	179.8	-67.8	-62.8	0	0	0	113.8	N623 H624	N623-H627 PolarHBondContact O-CD2 3.27Å; N623-H627 VanDerWaalsContact O-CD2 3.28Å; N623-H627 PolarHBondContact O-N 3.48Å; N623-H627 VanDerWaalsContact O-N 3.11Å; H624-H627 PolarHBondContact O-N 2.43Å
628	N	49.7	Very low	72.6	Confident	116 Å²	116	98.9 Å²	98.9	62%	0.62	47%	0.474	S	S	*	.			trans	-103.7	33.4	168.3	-60.9	4.2	0	0	0	110.7	H624	H624-N628 VanDerWaalsContact O-CB 3.23Å; H624-N628 WeakPolarHBondContact O-CB 3.31Å; H624-N628 PolarHBondContact O-N 2.39Å
629	S	35.8	Very low	71.2	Confident	132 Å²	132	101.2 Å²	101.2	92%	0.923	48%	0.481	S	S	*	.			trans	-135.8	0	-179.4	58.7	0	0	0	0	109

Retrieved 629 of 629 residues in 894.6 ms (Link to these results)

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