C4QMG1_SCHMA Loading...

Thyroid hormone receptor,putative

AlphaFold DB , UniProt , Accession C4QMG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 847 aa.

						>C4QMG1_SCHMA|C4QMG1
MKYKQLLSKHINLESSQHGNLVSLNHTTLDNDIQSVQLEYHTNSPLKPTESQTSYPPLPPPITHVTESLVFVTENKLKEDIRAFNIENTQTSTFQVNTASQLLSSPSRNSNITNKCQIKLSTLSNPPKIKKREPYIPSYMDPLAGPEPCVVCGDNATGFHYRAMTCEGCKGFFRRSVQKKLIYTCKFQGRCSVSDKQNRNSCQKCRFDRCISGGMAKDLVLDEDKRLAKRRLIEANRARKRAEAIEASTAVYVTDPSINIPNITNPNSVSKYHIIHNQPISTSNTISSTPVIMSTIPYHSTIHSNIHFTNQFALNSTTRSQFNCNPIQTRYLEVTNNDIHSFVNPKTPDATYSPANEAKLIVQPIQTIDKLQPTTMPNNMCWNPICGAPYTQCFMNDASNHDNHNSKTPLSFKESINRIQLSSVSMQINKNPLFPSEDGYCNLLSKYSNFNSQQSVYTKAVDNNRINHSNANNVQINTHYEPQQYSPVTPEKCQTLSCDQPAITDNLSFSYPKHVSIMDSNDTVHNDCPWTTEDQNMVDSIVQAYSNMLNPSFKRKMDNGDVDKEPEKAFYSSTDSRITSLIEPMIASLVAFARLVPGFELLDANDQTRLLRGCCLDIITLRAAYLLSRIAVSLGIVDSNGHNKPQFTTSPLDSADIFVQNVPSHQHNVASVIPNNIYPQLGTSDVKCAQMIRAVALKLARLEIDQTEVALMTSILLMSPDRFGLTDCETVEHTQDILLETFNRYANRIRKIRFNRMNHNNMSSRSININGISQQQQQYWPRILMALTELRSITLCNQGLFVEKAYGNTTEQLPWYFHELFTGDFILQETNISSFESGNNNDNNNLC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	39.8	Very low	211 Å²	211	133.5 Å²	133.5	100%	1.039	63%	0.633	S	S	*	*				0	-63.3	0	-84.8	-179.8	171	0	0	113.3	Y3 K4 Q5	M1-Y3 PolarHBondContact O-N 3.28Å; M1-K4 PolarHBondContact O-N 3.21Å; M1-Q5 PolarHBondContact O-N 2.91Å
2	K	35.5	Very low	39.6	Very low	171 Å²	171	130.8 Å²	130.8	74%	0.743	63%	0.625	S	S	*	*	H	α-helix	trans	-44.4	-42.6	-179	-76.3	-175.5	174.8	-178.4	0	114.4	K4 Q5 L6	K2-K4 PolarHBondContact O-N 3.01Å; K2-Q5 PolarHBondContact O-N 3.35Å; K2-L6 PolarHBondContact O-N 3.26Å
3	Y	33.8	Very low	39.5	Very low	146 Å²	146	129.5 Å²	129.5	57%	0.573	62%	0.623	S	S	*	*	H	α-helix	trans	-53.9	-48.2	174.4	-166.6	-91	0	0	0	113.7	M1 Q5 L6 L7	M1-Y3 PolarHBondContact O-N 3.28Å; Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 3.02Å; Y3-L6 PolarHBondContact O-N 3.49Å; Y3-L7 HydrophobicContact CE1-CD1 4.34Å; Y3-L7 WeakPolarHBondContact O-CB 3.28Å; Y3-L7 PolarHBondContact O-N 3.34Å
4	K	43.8	Very low	39.1	Very low	171 Å²	171	132.1 Å²	132.1	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-64.2	-32.3	174.9	-83.7	-164.2	172.5	-170.4	0	113	M1 K2 S8	M1-K4 PolarHBondContact O-N 3.21Å; K2-K4 PolarHBondContact O-N 3.01Å; K4-S8 WeakPolarHBondContact O-CB 3.28Å; K4-S8 PolarHBondContact O-N 3.24Å
5	Q	41.3	Very low	38.6	Very low	134 Å²	134	129.1 Å²	129.1	63%	0.626	63%	0.632	S	S	*	*	H	α-helix	trans	-73.7	-31.6	175.5	-76.5	175.5	-43.2	0	0	112.7	M1 K2 Y3 K9	M1-Q5 PolarHBondContact O-N 2.91Å; K2-Q5 PolarHBondContact O-N 3.35Å; Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 3.02Å; Q5-K9 PolarHBondContact O-N 2.88Å
6	L	42.1	Very low	38.1	Very low	103 Å²	103	126.8 Å²	126.8	54%	0.539	63%	0.633	S	S	.	*	H	α-helix	trans	-74.5	-44.2	173.7	-73.3	165.4	0	0	0	111.4	K2 Y3 S8 K9 H10	K2-L6 PolarHBondContact O-N 3.26Å; Y3-L6 PolarHBondContact O-N 3.49Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 2.89Å; L6-K9 WeakPolarHBondContact O-CA 3.5Å; L6-K9 WeakPolarHBondContact O-CB 3.26Å; L6-K9 PolarHBondContact O-N 2.98Å; L6-H10 PolarHBondContact O-N 2.75Å
7	L	38.9	Very low	37.8	Very low	87 Å²	87	129.4 Å²	129.4	46%	0.455	64%	0.643	S	S	.	*	H	α-helix	trans	-59.3	-44.9	174.4	-142.1	75.3	0	0	0	111.1	Y3 K9 H10 I11	Y3-L7 HydrophobicContact CE1-CD1 4.34Å; Y3-L7 WeakPolarHBondContact O-CB 3.28Å; Y3-L7 PolarHBondContact O-N 3.34Å; L7-K9 PolarHBondContact O-N 3.17Å; L7-H10 PolarHBondContact O-N 2.76Å; L7-I11 HydrophobicContact CD2-CD1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.95Å; L7-I11 WeakPolarHBondContact O-CB 3.18Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.04Å
8	S	41.8	Very low	37.5	Very low	69 Å²	69	133.3 Å²	133.3	48%	0.483	66%	0.658	S	S	.	*	H	α-helix	trans	-70.2	-8.9	174.4	-165.4	0	0	0	0	114.1	K4 L6 N12	K4-S8 WeakPolarHBondContact O-CB 3.28Å; K4-S8 PolarHBondContact O-N 3.24Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 2.89Å; S8-N12 PolarHBondContact O-ND2 2.88Å
9	K	42.8	Very low	36.9	Very low	145 Å²	145	129.3 Å²	129.3	63%	0.63	66%	0.655	S	S	*	*	H	α-helix	trans	-89.3	-46.8	167.6	-87.3	-168.3	169.5	-165.1	0	111.9	Q5 L6 L7 N12 L13	Q5-K9 PolarHBondContact O-N 2.88Å; L6-K9 WeakPolarHBondContact O-CA 3.5Å; L6-K9 WeakPolarHBondContact O-CB 3.26Å; L6-K9 PolarHBondContact O-N 2.98Å; L7-K9 PolarHBondContact O-N 3.17Å; K9-N12 PolarHBondContact O-N 3.35Å; K9-L13 WeakPolarHBondContact O-CG 3.36Å; K9-L13 PolarHBondContact O-N 3.04Å
10	H	41.4	Very low	36.6	Very low	122 Å²	122	131 Å²	131	57%	0.565	67%	0.666	S	S	*	*	H	α-helix	trans	-67	-43	179.9	-81.9	-87.7	0	0	0	112.8	L6 L7 N12 L13 E14	L6-H10 PolarHBondContact O-N 2.75Å; L7-H10 PolarHBondContact O-N 2.76Å; H10-N12 PolarHBondContact O-N 3.16Å; H10-L13 PolarHBondContact O-N 3.25Å; H10-E14 PolarHBondContact O-N 2.74Å
11	I	42.4	Very low	36.2	Very low	110 Å²	110	132.8 Å²	132.8	56%	0.564	68%	0.676	S	S	*	*	H	α-helix	trans	-60	-30.7	177.8	-68.3	168.9	0	0	0	112	L7 S15	L7-I11 HydrophobicContact CD2-CD1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.95Å; L7-I11 WeakPolarHBondContact O-CB 3.18Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.04Å; I11-S15 PolarHBondContact O-OG 2.97Å
12	N	37.9	Very low	35.8	Very low	101 Å²	101	129.2 Å²	129.2	54%	0.54	67%	0.665	S	S	.	*	H	α-helix	trans	-89.9	-1	177.5	-74.7	-52.7	0	0	0	114.3	S8 K9 H10 S15	S8-N12 PolarHBondContact O-ND2 2.88Å; K9-N12 PolarHBondContact O-N 3.35Å; H10-N12 PolarHBondContact O-N 3.16Å; N12-S15 WeakPolarHBondContact CA-OG 3.45Å
13	L	37.8	Very low	35.4	Very low	114 Å²	114	125.9 Å²	125.9	60%	0.597	66%	0.664	S	S	*	*	H	α-helix	trans	-98.4	-34	177.9	-84.1	164.3	0	0	0	112.3	K9 H10 S16	K9-L13 WeakPolarHBondContact O-CG 3.36Å; K9-L13 PolarHBondContact O-N 3.04Å; H10-L13 PolarHBondContact O-N 3.25Å; L13-S16 WeakPolarHBondContact O-CB 3.41Å
14	E	33.8	Very low	35.2	Very low	166 Å²	166	126.1 Å²	126.1	78%	0.776	67%	0.674	S	S	*	*	H	α-helix	trans	-79.2	-26.3	174.3	-66.6	179.8	163.2	0	0	112.1	H10 S16	H10-E14 PolarHBondContact O-N 2.74Å; E14-S16 PolarHBondContact O-N 3.43Å
15	S	31.5	Very low	34.3	Very low	86 Å²	86	124.8 Å²	124.8	60%	0.601	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	11.3	171.5	69.4	0	0	0	0	114.4	I11 N12	I11-S15 PolarHBondContact O-OG 2.97Å; N12-S15 WeakPolarHBondContact CA-OG 3.45Å
16	S	31.4	Very low	33.7	Very low	93 Å²	93	126 Å²	126	65%	0.65	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	5.8	-173.5	-169.3	0	0	0	0	114.2	L13 E14	L13-S16 WeakPolarHBondContact O-CB 3.41Å; E14-S16 PolarHBondContact O-N 3.43Å
17	Q	33	Very low	32.9	Very low	171 Å²	171	126.2 Å²	126.2	80%	0.799	69%	0.686	S	S	*	*	S	Bend	trans	-122.7	3.5	-178	-71	-165.9	-17.9	0	0	115.6
18	H	31.6	Very low	32.4	Very low	200 Å²	200	127.8 Å²	127.8	93%	0.926	70%	0.7	S	S	*	*	S	Bend	trans	-128.6	67	172.6	-85.4	33.4	0	0	0	110.5
19	G	27	Very low	31.7	Very low	57 Å²	57	131 Å²	131	59%	0.588	71%	0.711	S	S	*	*			trans	-151.4	140.8	174.9	0	0	0	0	0	110.2
20	N	30.1	Very low	30.9	Very low	163 Å²	163	130 Å²	130	87%	0.872	71%	0.713	S	S	*	*			trans	70.9	133.9	-159.3	-44.8	-43.9	0	0	0	112.3
21	L	28.3	Very low	30.3	Very low	168 Å²	168	131 Å²	131	88%	0.88	72%	0.722	S	S	*	*			cis	-121.9	157.8	-1.6	-77.3	88.8	0	0	0	111.7
22	V	25.9	Very low	29.6	Very low	136 Å²	136	132.8 Å²	132.8	82%	0.824	73%	0.733	S	S	*	*			trans	-104.2	139.8	162.2	173.2	0	0	0	0	108.7
23	S	27.4	Very low	29.2	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	75%	0.749	S	S	*	*			trans	131.8	155.8	143.1	74.6	0	0	0	0	116.4
24	L	28.4	Very low	28.7	Very low	150 Å²	150	139.2 Å²	139.2	79%	0.785	76%	0.76	S	S	*	*			trans	67.3	84.8	159.5	-62.2	170.5	0	0	0	119.1
25	N	25.8	Very low	28.4	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	76%	0.76	S	S	*	*				32.3	142	113.5	-65.9	1.6	0	0	0	121.4
26	H	28.1	Very low	28.3	Very low	161 Å²	161	139.3 Å²	139.3	75%	0.745	77%	0.773	S	S	*	*			trans	81.8	94.6	146.6	-97.8	-76.3	0	0	0	120.5
27	T	26.7	Very low	28.1	Very low	106 Å²	106	142.2 Å²	142.2	65%	0.65	78%	0.776	S	S	*	*				64.2	136.9	126.2	48.9	0	0	0	0	122.7
28	T	27.6	Very low	27.9	Very low	121 Å²	121	140.2 Å²	140.2	74%	0.742	77%	0.77	S	S	*	*			trans	77.9	117.7	146.4	45.3	0	0	0	0	122.1
29	L	26.4	Very low	27.9	Very low	137 Å²	137	139 Å²	139	72%	0.717	77%	0.765	S	S	*	*			trans	71	112.8	141.5	-84.9	75.4	0	0	0	121.7
30	D	25.9	Very low	27.9	Very low	124 Å²	124	144.2 Å²	144.2	66%	0.663	77%	0.768	S	S	*	*				74.3	136.9	118	-58.4	0.3	0	0	0	124
31	N	30.4	Very low	28.1	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	76%	0.76	S	S	*	*			trans	79.5	109.5	151.1	-57.7	-30.1	0	0	0	121.1
32	D	26.3	Very low	28.1	Very low	149 Å²	149	140.4 Å²	140.4	80%	0.797	75%	0.747	S	S	*	*			trans	14.8	135.7	133.9	-55.6	-22.1	0	0	0	120.9
33	I	29.5	Very low	28.4	Very low	173 Å²	173	141.3 Å²	141.3	89%	0.887	75%	0.747	S	S	*	*				-173.3	160.7	108.1	-95.7	161.3	0	0	0	111.1
34	Q	26.8	Very low	28.5	Very low	177 Å²	177	142 Å²	142	83%	0.827	75%	0.752	S	S	*	*			trans	-91.7	167.9	-169.9	-64.2	172.3	-51.9	0	0	115.4
35	S	28.3	Very low	28.8	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	75%	0.749	S	S	*	*			trans	84.7	132.9	151.7	79	0	0	0	0	120.1
36	V	29.5	Very low	29.2	Very low	141 Å²	141	141.5 Å²	141.5	86%	0.855	76%	0.755	S	S	*	*				-162.4	163.9	113.8	143	0	0	0	0	109.3
37	Q	28.1	Very low	29.3	Very low	155 Å²	155	143.3 Å²	143.3	72%	0.724	76%	0.761	S	S	*	*			trans	-104.1	152.5	-152.2	-72.6	161.1	-97	0	0	116.8
38	L	28.1	Very low	29.8	Very low	129 Å²	129	142.8 Å²	142.8	68%	0.675	76%	0.759	S	S	*	*			trans	68.9	165.8	131	-72.1	170.2	0	0	0	123.7	Y40	L38-Y40 HydrophobicContact CD2-CE2 4.33Å
39	E	31.2	Very low	30	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	76%	0.757	S	S	*	*			trans	93.7	129.1	158.6	-72.4	174.3	-155	0	0	120.9
40	Y	27	Very low	30.2	Very low	168 Å²	168	144.2 Å²	144.2	66%	0.659	76%	0.762	S	S	*	*			cis	-170.7	173.1	-31.2	-133.5	-93.9	0	0	0	109.7	L38	L38-Y40 HydrophobicContact CD2-CE2 4.33Å
41	H	34	Very low	30.5	Very low	153 Å²	153	142.8 Å²	142.8	71%	0.708	76%	0.761	S	S	*	*			trans	67	161.9	159.9	-71.1	-59	0	0	0	120.1
42	T	28.3	Very low	30.5	Very low	98 Å²	98	144.3 Å²	144.3	60%	0.601	76%	0.764	S	S	*	*				178	141.2	-69.8	38.6	0	0	0	0	109.7
43	N	32.5	Very low	30.6	Very low	155 Å²	155	143 Å²	143	83%	0.829	76%	0.762	S	S	*	*			trans	144.8	144.5	135.4	-73	-36.4	0	0	0	116
44	S	28.8	Very low	30.8	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	76%	0.76	S	S	*	*			trans	-108.7	-152.1	173.4	-45.8	0	0	0	0	108.8
45	P	36.5	Very low	30.9	Very low	111 Å²	111	143 Å²	143	72%	0.721	76%	0.763	S	S	*	*			cis	-133.8	-172.4	-20.9	34.2	-12.8	0	0	0	113.9
46	L	33.6	Very low	31.8	Very low	172 Å²	172	143 Å²	143	90%	0.901	76%	0.76	S	S	*	*			trans	161.9	175.8	130.3	-83.7	163.7	0	0	0	114.8
47	K	30.1	Very low	32.2	Very low	198 Å²	198	141.5 Å²	141.5	86%	0.861	75%	0.754	S	S	*	*			trans	-150.3	-174.1	-166.5	-130.2	-177.4	179	-178.4	0	108
48	P	36.2	Very low	32.2	Very low	95 Å²	95	141.5 Å²	141.5	62%	0.617	76%	0.758	S	S	*	*			cis	-137.4	-149.2	-12.1	38.6	-15.4	0	0	0	113.7
49	T	33.4	Very low	32.9	Very low	113 Å²	113	141 Å²	141	69%	0.693	76%	0.762	S	S	*	*			trans	69.1	146	154.9	42.3	0	0	0	0	120.5
50	E	29.8	Very low	33.3	Very low	176 Å²	176	138.2 Å²	138.2	82%	0.822	76%	0.759	S	S	*	*			cis	-166.5	175.5	-22.8	-140.2	170.9	-133.1	0	0	112.7
51	S	32.4	Very low	33.6	Very low	94 Å²	94	135 Å²	135	66%	0.657	76%	0.759	S	S	*	*			trans	86	112.3	151.5	80.1	0	0	0	0	124.7
52	Q	31.1	Very low	33.3	Very low	172 Å²	172	134.1 Å²	134.1	80%	0.804	76%	0.758	S	S	*	*				89.6	109.9	126.3	-69.8	179.7	19.4	0	0	125.6
53	T	28.4	Very low	33.4	Very low	123 Å²	123	135 Å²	135	76%	0.755	76%	0.764	S	S	*	*			trans	66.4	113.5	130.5	60.5	0	0	0	0	123.6
54	S	33.5	Very low	33.3	Very low	121 Å²	121	134.4 Å²	134.4	85%	0.846	76%	0.755	S	S	*	*				177	177.6	96.9	46.8	0	0	0	0	112.3
55	Y	28.9	Very low	33.3	Very low	227 Å²	227	131.2 Å²	131.2	89%	0.89	73%	0.731	S	S	*	*			trans	-98.3	163.6	-158	-81.4	-88.1	0	0	0	116.1
56	P	46.3	Very low	33.1	Very low	112 Å²	112	127.1 Å²	127.1	73%	0.727	70%	0.704	S	S	*	*			trans	-99.6	179.3	-160.9	42.9	-39.7	0	0	0	114.5
57	P	38.3	Very low	33	Very low	111 Å²	111	124.4 Å²	124.4	72%	0.721	69%	0.687	S	S	*	*				-156.2	-179.4	93.1	42.7	-23.7	0	0	0	118.1
58	L	28.4	Very low	33.1	Very low	155 Å²	155	118.3 Å²	118.3	81%	0.812	67%	0.669	S	S	*	*			trans	74.6	116	153.9	-104.8	72.7	0	0	0	122.9
59	P	43.3	Very low	33	Very low	118 Å²	118	116 Å²	116	77%	0.766	65%	0.652	S	S	*	*			trans	-91.6	152.9	141.8	36.9	-31.3	0	0	0	110.9
60	P	39.1	Very low	33.1	Very low	114 Å²	114	114.5 Å²	114.5	74%	0.74	64%	0.642	S	S	*	*				-153.7	-158.2	92.4	44.4	-24.4	0	0	0	111.4
61	P	33.9	Very low	33.3	Very low	101 Å²	101	111 Å²	111	66%	0.656	62%	0.624	S	S	*	*			cis	-133.7	151.7	-5.7	40.4	-22.6	0	0	0	118.2
62	I	26.7	Very low	33.5	Very low	135 Å²	135	109.1 Å²	109.1	69%	0.692	61%	0.609	S	S	*	*			trans	28	112.5	130.7	-44.9	171.9	0	0	0	118.2
63	T	29.4	Very low	34.2	Very low	117 Å²	117	102.8 Å²	102.8	72%	0.718	58%	0.581	S	S	*	*			trans	-142.3	152.6	148.3	56	0	0	0	0	110.4
64	H	31.9	Very low	34.9	Very low	141 Å²	141	99 Å²	99	65%	0.653	56%	0.555	S	S	*	*			trans	57.2	85	173.6	-62.6	-81	0	0	0	118.1
65	V	27.5	Very low	35.9	Very low	49 Å²	49	96 Å²	96	30%	0.297	53%	0.53	S	S	.	.			trans	-119	71.1	154.5	-173.7	0	0	0	0	107.4	Y806	V65-Y806 CarbonylContact O-C 3.53Å; V65-Y806 WeakPolarHBondContact O-CA 3.37Å
66	T	32.6	Very low	37	Very low	26 Å²	26	88.3 Å²	88.3	16%	0.16	50%	0.501	C	S	.	.	S	Bend	trans	-144.6	-20.5	-161.3	61	0	0	0	0	114.7	Y806	T66-Y806 HydrophobicContact CG2-CD1 3.3Å; T66-Y806 HydrophobicContact CG2-CD2 4.06Å; T66-Y806 HydrophobicContact CG2-CE1 3.63Å; T66-Y806 HydrophobicContact CG2-CE2 4.33Å; T66-Y806 HydrophobicContact CG2-CG 3.53Å; T66-Y806 VanDerWaalsContact O-CE2 3.24Å; T66-Y806 WeakPolarHBondContact O-CE2 3.42Å
67	E	32.5	Very low	37.5	Very low	115 Å²	115	83.4 Å²	83.4	54%	0.537	47%	0.469	S	S	.	.	S	Bend	trans	-108.6	-22.4	-177	-66.4	174.4	133.5	0	0	111.8	L69 V70 F71	E67-L69 PolarHBondContact O-N 3.04Å; E67-V70 PolarHBondContact O-N 3.18Å; E67-V70 VanDerWaalsContact O-N 3.17Å; E67-F71 VanDerWaalsContact O-CB 3.31Å; E67-F71 WeakPolarHBondContact O-CB 3.44Å; E67-F71 PolarHBondContact O-N 3.21Å
68	S	31.6	Very low	38.6	Very low	70 Å²	70	81.8 Å²	81.8	49%	0.49	45%	0.45	S	S	.	.	H	α-helix	trans	-54.7	-56.4	-161.7	-48.2	0	0	0	0	115.2	V70 F71 V72	S68-V70 VanDerWaalsContact C-N 3.34Å; S68-V70 PolarHBondContact O-N 2.72Å; S68-F71 PolarHBondContact O-N 2.8Å; S68-V72 WeakPolarHBondContact O-CB 3.49Å; S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.48Å; S68-V72 PolarHBondContact O-N 3.21Å
69	L	33.4	Very low	40.1	Very low	47 Å²	47	79.2 Å²	79.2	25%	0.246	43%	0.434	C	S	.	.	H	α-helix	trans	-63.9	-38	-179.4	-100.5	93.7	0	0	0	112.6	E67 T73 I582 L813	E67-L69 PolarHBondContact O-N 3.04Å; L69-T73 WeakPolarHBondContact O-CB 3.34Å; L69-T73 VanDerWaalsContact O-CG2 3.29Å; L69-T73 WeakPolarHBondContact O-CG2 3.31Å; L69-T73 PolarHBondContact O-N 2.79Å; L69-T73 VanDerWaalsContact O-N 3.1Å; L69-T73 PolarHBondContact O-OG1 2.68Å; L69-I582 HydrophobicContact CD2-CD1 3.67Å; L69-L813 HydrophobicContact CD1-CD1 4.44Å; L69-L813 HydrophobicContact CD2-CD1 3.79Å; L69-L813 HydrophobicContact CD2-CD2 4.37Å
70	V	35.8	Very low	40.7	Very low	80 Å²	80	74.9 Å²	74.9	49%	0.485	40%	0.404	S	S	.	.	H	α-helix	trans	-71	-35.6	179.4	-177.6	0	0	0	0	110.5	E67 S68 T73 E74	E67-V70 PolarHBondContact O-N 3.18Å; E67-V70 VanDerWaalsContact O-N 3.17Å; S68-V70 VanDerWaalsContact C-N 3.34Å; S68-V70 PolarHBondContact O-N 2.72Å; V70-T73 PolarHBondContact O-OG1 3.17Å; V70-T73 VanDerWaalsContact O-OG1 3.14Å; V70-E74 WeakPolarHBondContact O-CB 3.42Å; V70-E74 PolarHBondContact O-N 2.71Å
71	F	34.5	Very low	41.5	Very low	102 Å²	102	69.6 Å²	69.6	45%	0.447	37%	0.37	S	S	.	.	H	α-helix	trans	-78.3	-37	-179.7	-153.2	-108.2	0	0	0	113	E67 S68 E74 N75	E67-F71 VanDerWaalsContact O-CB 3.31Å; E67-F71 WeakPolarHBondContact O-CB 3.44Å; E67-F71 PolarHBondContact O-N 3.21Å; S68-F71 PolarHBondContact O-N 2.8Å; F71-E74 PolarHBondContact O-N 3.07Å; F71-N75 WeakPolarHBondContact CD1-ND2 3.22Å; F71-N75 WeakPolarHBondContact CE1-ND2 3.5Å; F71-N75 WeakPolarHBondContact O-CB 3.07Å; F71-N75 VanDerWaalsContact O-CG 3.28Å; F71-N75 PolarHBondContact O-N 3.4Å; F71-N75 PolarHBondContact O-ND2 3.32Å
72	V	36.7	Very low	42.9	Very low	56 Å²	56	71.7 Å²	71.7	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-52.1	170.6	166.2	0	0	0	0	109.7	S68 E74 N75 K76 T579	S68-V72 WeakPolarHBondContact O-CB 3.49Å; S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.48Å; S68-V72 PolarHBondContact O-N 3.21Å; V72-E74 PolarHBondContact O-N 3.25Å; V72-N75 PolarHBondContact O-N 3.12Å; V72-K76 VanDerWaalsContact O-CB 3.25Å; V72-K76 WeakPolarHBondContact O-CB 3.39Å; V72-K76 PolarHBondContact O-N 2.82Å; V72-T579 HydrophobicContact CG1-CG2 4.35Å
73	T	44.8	Very low	44.4	Very low	38 Å²	38	67.6 Å²	67.6	23%	0.233	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-37.8	178.3	55.2	0	0	0	0	112.3	L69 V70 L77 I582 I586	L69-T73 WeakPolarHBondContact O-CB 3.34Å; L69-T73 VanDerWaalsContact O-CG2 3.29Å; L69-T73 WeakPolarHBondContact O-CG2 3.31Å; L69-T73 PolarHBondContact O-N 2.79Å; L69-T73 VanDerWaalsContact O-N 3.1Å; L69-T73 PolarHBondContact O-OG1 2.68Å; V70-T73 PolarHBondContact O-OG1 3.17Å; V70-T73 VanDerWaalsContact O-OG1 3.14Å; T73-L77 WeakPolarHBondContact O-CB 3.47Å; T73-L77 PolarHBondContact O-N 3.48Å; T73-I582 HydrophobicContact CG2-CG2 3.82Å; T73-I586 HydrophobicContact CG2-CD1 3.39Å
74	E	44.9	Very low	45.4	Very low	44 Å²	44	65.6 Å²	65.6	21%	0.206	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-45.7	175	166.4	146	-152.9	0	0	113.4	V70 F71 V72 K78 R612	V70-E74 WeakPolarHBondContact O-CB 3.42Å; V70-E74 PolarHBondContact O-N 2.71Å; F71-E74 PolarHBondContact O-N 3.07Å; V72-E74 PolarHBondContact O-N 3.25Å; E74-K78 HydrophobicContact CG-CD 4.28Å; E74-K78 WeakPolarHBondContact O-CB 3.32Å; E74-K78 VanDerWaalsContact O-CG 3.27Å; E74-K78 WeakPolarHBondContact O-CG 3.2Å; E74-K78 PolarHBondContact O-N 3.44Å; E74-K78 VanDerWaalsContact O-N 3.11Å; E74-K78 WeakPolarHBondContact OE1-CE 3.12Å; E74-K78 IonicContact OE1-NZ 2.68Å; E74-K78 PolarHBondContact OE1-NZ 2.93Å; E74-R612 VanDerWaalsContact CD-CZ 3.47Å; E74-R612 IonicContact OE1-CZ 3.49Å; E74-R612 IonicContact OE1-NH1 3.78Å; E74-R612 PolarHBondContact OE1-NH1 3.3Å; E74-R612 IonicContact OE1-NH2 3.87Å; E74-R612 PolarHBondContact OE1-NH2 3.12Å; E74-R612 IonicContact OE2-CZ 2.88Å; E74-R612 IonicContact OE2-NH1 3.44Å; E74-R612 PolarHBondContact OE2-NH1 3.17Å; E74-R612 IonicContact OE2-NH2 3.2Å; E74-R612 PolarHBondContact OE2-NH2 3.33Å
75	N	53.4	Low	46.2	Very low	58 Å²	58	61.4 Å²	61.4	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-71.7	-47.1	-179.1	-68.2	-26.3	0	0	0	111	F71 V72 L77 K78 E79	F71-N75 WeakPolarHBondContact CD1-ND2 3.22Å; F71-N75 WeakPolarHBondContact CE1-ND2 3.5Å; F71-N75 WeakPolarHBondContact O-CB 3.07Å; F71-N75 VanDerWaalsContact O-CG 3.28Å; F71-N75 PolarHBondContact O-N 3.4Å; F71-N75 PolarHBondContact O-ND2 3.32Å; V72-N75 PolarHBondContact O-N 3.12Å; N75-L77 VanDerWaalsContact C-N 3.33Å; N75-L77 PolarHBondContact O-N 3.24Å; N75-K78 CarbonylContact O-C 3.52Å; N75-K78 PolarHBondContact O-N 3.08Å; N75-K78 VanDerWaalsContact O-N 3.1Å; N75-E79 WeakPolarHBondContact O-CG 3.15Å; N75-E79 PolarHBondContact O-N 2.79Å
76	K	53.2	Low	47.3	Very low	66 Å²	66	64.5 Å²	64.5	29%	0.287	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-41	179.4	-173.6	50.4	173.1	158	0	111.9	V72 K78 E79 D80	V72-K76 VanDerWaalsContact O-CB 3.25Å; V72-K76 WeakPolarHBondContact O-CB 3.39Å; V72-K76 PolarHBondContact O-N 2.82Å; K76-K78 PolarHBondContact O-N 2.73Å; K76-E79 PolarHBondContact O-N 2.97Å; K76-D80 WeakPolarHBondContact CD-OD2 3.35Å; K76-D80 WeakPolarHBondContact CE-OD1 3.37Å; K76-D80 WeakPolarHBondContact CE-OD2 3.42Å; K76-D80 IonicContact NZ-OD1 2.68Å; K76-D80 PolarHBondContact NZ-OD1 3.18Å; K76-D80 IonicContact NZ-OD2 3.42Å; K76-D80 PolarHBondContact NZ-OD2 2.9Å; K76-D80 WeakPolarHBondContact O-CB 3.47Å; K76-D80 PolarHBondContact O-N 3.13Å
77	L	56.4	Low	47.8	Very low	9 Å²	9	70 Å²	70	5%	0.047	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-42.4	172.8	-177.4	62	0	0	0	112.3	T73 N75 E79 I81 I586 V590 T608 L611 R612	T73-L77 WeakPolarHBondContact O-CB 3.47Å; T73-L77 PolarHBondContact O-N 3.48Å; N75-L77 VanDerWaalsContact C-N 3.33Å; N75-L77 PolarHBondContact O-N 3.24Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 3.44Å; L77-I81 HydrophobicContact CD1-CD1 3.83Å; L77-I81 HydrophobicContact CD1-CG1 4.25Å; L77-I81 HydrophobicContact CG-CD1 3.87Å; L77-I81 VanDerWaalsContact O-CB 3.29Å; L77-I81 WeakPolarHBondContact O-CB 3.49Å; L77-I81 WeakPolarHBondContact O-CD1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.17Å; L77-I81 PolarHBondContact O-N 3.3Å; L77-I586 HydrophobicContact CD1-CG2 4.31Å; L77-V590 HydrophobicContact CD1-CG2 3.64Å; L77-T608 HydrophobicContact CD2-CG2 4.03Å; L77-L611 HydrophobicContact CD1-CB 4.08Å; L77-L611 HydrophobicContact CD1-CD1 3.82Å; L77-L611 HydrophobicContact CD1-CG 4.5Å; L77-L611 HydrophobicContact CD2-CB 4.21Å; L77-R612 HydrophobicContact CD2-CG 3.81Å
78	K	60.3	Low	48.1	Very low	76 Å²	76	68.2 Å²	68.2	33%	0.33	35%	0.347	S	S	.	.	H	α-helix	trans	-68.6	-27.5	175	-75.1	172.7	-174.2	169.6	0	113.2	E74 N75 K76 R82	E74-K78 HydrophobicContact CG-CD 4.28Å; E74-K78 WeakPolarHBondContact O-CB 3.32Å; E74-K78 VanDerWaalsContact O-CG 3.27Å; E74-K78 WeakPolarHBondContact O-CG 3.2Å; E74-K78 PolarHBondContact O-N 3.44Å; E74-K78 VanDerWaalsContact O-N 3.11Å; E74-K78 WeakPolarHBondContact OE1-CE 3.12Å; E74-K78 IonicContact OE1-NZ 2.68Å; E74-K78 PolarHBondContact OE1-NZ 2.93Å; N75-K78 CarbonylContact O-C 3.52Å; N75-K78 PolarHBondContact O-N 3.08Å; N75-K78 VanDerWaalsContact O-N 3.1Å; K76-K78 PolarHBondContact O-N 2.73Å; K78-R82 WeakPolarHBondContact O-CB 3.25Å; K78-R82 WeakPolarHBondContact O-CG 3.27Å; K78-R82 PolarHBondContact O-N 3.23Å; K78-R82 PolarHBondContact O-NE 3.38Å
79	E	61	Low	48.3	Very low	102 Å²	102	70 Å²	70	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-75.5	-50.9	174.5	-74.9	168.7	-175.1	0	0	110.8	N75 K76 L77 I81 R82 A83	N75-E79 WeakPolarHBondContact O-CG 3.15Å; N75-E79 PolarHBondContact O-N 2.79Å; K76-E79 PolarHBondContact O-N 2.97Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 3.44Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.36Å; E79-R82 CarbonylContact O-C 3.43Å; E79-R82 PolarHBondContact O-N 3Å; E79-A83 WeakPolarHBondContact O-CB 3.29Å; E79-A83 PolarHBondContact O-N 3.4Å
80	D	54.5	Low	48.2	Very low	26 Å²	26	75.8 Å²	75.8	14%	0.139	38%	0.381	C	S	.	.	H	α-helix	trans	-68.7	-30.6	-178	-65.3	-20.5	0	0	0	112.6	K76 F84	K76-D80 WeakPolarHBondContact CD-OD2 3.35Å; K76-D80 WeakPolarHBondContact CE-OD1 3.37Å; K76-D80 WeakPolarHBondContact CE-OD2 3.42Å; K76-D80 IonicContact NZ-OD1 2.68Å; K76-D80 PolarHBondContact NZ-OD1 3.18Å; K76-D80 IonicContact NZ-OD2 3.42Å; K76-D80 PolarHBondContact NZ-OD2 2.9Å; K76-D80 WeakPolarHBondContact O-CB 3.47Å; K76-D80 PolarHBondContact O-N 3.13Å; D80-F84 WeakPolarHBondContact O-CB 3.21Å; D80-F84 PolarHBondContact O-N 3.03Å
81	I	57.4	Low	47.8	Very low	3 Å²	3	77.9 Å²	77.9	2%	0.015	39%	0.394	C	S	.	.	H	α-helix	trans	-65.3	-45.7	167.7	-70.2	169	0	0	0	110.4	L77 E79 N85 R594 A604 T608 L611	L77-I81 HydrophobicContact CD1-CD1 3.83Å; L77-I81 HydrophobicContact CD1-CG1 4.25Å; L77-I81 HydrophobicContact CG-CD1 3.87Å; L77-I81 VanDerWaalsContact O-CB 3.29Å; L77-I81 WeakPolarHBondContact O-CB 3.49Å; L77-I81 WeakPolarHBondContact O-CD1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.17Å; L77-I81 PolarHBondContact O-N 3.3Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.36Å; I81-N85 WeakPolarHBondContact O-CB 3.34Å; I81-N85 PolarHBondContact O-N 2.89Å; I81-N85 VanDerWaalsContact O-N 3.08Å; I81-N85 PolarHBondContact O-OD1 3.41Å; I81-N85 VanDerWaalsContact O-OD1 3.13Å; I81-R594 PolarHBondContact O-NH2 2.83Å; I81-A604 HydrophobicContact CG2-CB 4.26Å; I81-T608 VanDerWaalsContact CD1-OG1 3.32Å; I81-T608 WeakPolarHBondContact CD1-OG1 3.31Å; I81-L611 HydrophobicContact CD1-CD1 4.01Å; I81-L611 HydrophobicContact CG1-CD1 4.41Å
82	R	62.5	Low	47.4	Very low	146 Å²	146	78.6 Å²	78.6	55%	0.551	41%	0.411	S	S	*	.	H	α-helix	trans	-71.2	-45.2	-177.7	-79.9	-179.3	-69.9	169.8	4.3	113.3	K78 E79 N85 I86	K78-R82 WeakPolarHBondContact O-CB 3.25Å; K78-R82 WeakPolarHBondContact O-CG 3.27Å; K78-R82 PolarHBondContact O-N 3.23Å; K78-R82 PolarHBondContact O-NE 3.38Å; E79-R82 CarbonylContact O-C 3.43Å; E79-R82 PolarHBondContact O-N 3Å; R82-N85 PolarHBondContact O-N 2.67Å; R82-I86 WeakPolarHBondContact O-CD1 3.13Å; R82-I86 VanDerWaalsContact O-CG1 3.27Å; R82-I86 WeakPolarHBondContact O-CG1 2.92Å; R82-I86 PolarHBondContact O-N 2.96Å
83	A	59.4	Low	46.9	Very low	49 Å²	49	82 Å²	82	41%	0.405	43%	0.432	S	S	.	.	H	α-helix	trans	-59.9	-52.5	-178.1	0	0	0	0	0	111.4	E79 N85 I86 E87	E79-A83 WeakPolarHBondContact O-CB 3.29Å; E79-A83 PolarHBondContact O-N 3.4Å; A83-N85 VanDerWaalsContact C-N 3.35Å; A83-N85 PolarHBondContact O-N 2.64Å; A83-I86 WeakPolarHBondContact O-CB 3.36Å; A83-I86 PolarHBondContact O-N 2.83Å; A83-E87 PolarHBondContact O-N 3.45Å
84	F	49.2	Very low	46.2	Very low	74 Å²	74	90 Å²	90	33%	0.325	47%	0.465	S	S	.	.	H	α-helix	trans	-70.2	-31.1	-179.7	-164.4	-43.3	0	0	0	110.9	D80 I86 E87 N88 R594	D80-F84 WeakPolarHBondContact O-CB 3.21Å; D80-F84 PolarHBondContact O-N 3.03Å; F84-I86 VanDerWaalsContact C-N 3.27Å; F84-I86 PolarHBondContact O-N 3.36Å; F84-E87 PolarHBondContact O-N 2.91Å; F84-N88 WeakPolarHBondContact O-CB 3Å; F84-N88 PolarHBondContact O-N 3.06Å; F84-R594 VanDerWaalsContact CD1-CD 3.49Å; F84-R594 VanDerWaalsContact CD1-NE 3.34Å; F84-R594 VanDerWaalsContact CG-NE 3.29Å
85	N	48.2	Very low	45.4	Very low	53 Å²	53	96.3 Å²	96.3	28%	0.283	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-28.6	169.3	-76.3	9.3	0	0	0	113.2	I81 R82 A83 R594	I81-N85 WeakPolarHBondContact O-CB 3.34Å; I81-N85 PolarHBondContact O-N 2.89Å; I81-N85 VanDerWaalsContact O-N 3.08Å; I81-N85 PolarHBondContact O-OD1 3.41Å; I81-N85 VanDerWaalsContact O-OD1 3.13Å; R82-N85 PolarHBondContact O-N 2.67Å; A83-N85 VanDerWaalsContact C-N 3.35Å; A83-N85 PolarHBondContact O-N 2.64Å; N85-R594 PolarHBondContact OD1-NH1 2.83Å; N85-R594 PolarHBondContact OD1-NH2 3.02Å
86	I	51.5	Low	44.3	Very low	115 Å²	115	100 Å²	100	59%	0.59	52%	0.518	S	S	*	.	H	α-helix	trans	-78.4	-45.7	175.1	-68.7	161.9	0	0	0	109.8	R82 A83 F84 N88 T89	R82-I86 WeakPolarHBondContact O-CD1 3.13Å; R82-I86 VanDerWaalsContact O-CG1 3.27Å; R82-I86 WeakPolarHBondContact O-CG1 2.92Å; R82-I86 PolarHBondContact O-N 2.96Å; A83-I86 WeakPolarHBondContact O-CB 3.36Å; A83-I86 PolarHBondContact O-N 2.83Å; F84-I86 VanDerWaalsContact C-N 3.27Å; F84-I86 PolarHBondContact O-N 3.36Å; I86-N88 VanDerWaalsContact C-N 3.34Å; I86-N88 PolarHBondContact O-N 3.16Å; I86-T89 PolarHBondContact O-N 2.87Å; I86-T89 PolarHBondContact O-OG1 3.44Å
87	E	43	Very low	43.2	Very low	140 Å²	140	103.3 Å²	103.3	65%	0.654	54%	0.539	S	S	*	.	H	α-helix	trans	-62.1	-37.4	179.1	-68.7	178.5	149.9	0	0	112.6	A83 F84 T89 Q90	A83-E87 PolarHBondContact O-N 3.45Å; F84-E87 PolarHBondContact O-N 2.91Å; E87-T89 PolarHBondContact O-N 2.96Å; E87-Q90 PolarHBondContact O-N 3.35Å
88	N	38	Very low	41.8	Very low	78 Å²	78	109.2 Å²	109.2	42%	0.417	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.7	-9.3	174.7	-88.6	7.2	0	0	0	114.5	F84 I86 E600	F84-N88 WeakPolarHBondContact O-CB 3Å; F84-N88 PolarHBondContact O-N 3.06Å; I86-N88 VanDerWaalsContact C-N 3.34Å; I86-N88 PolarHBondContact O-N 3.16Å; N88-E600 PolarHBondContact ND2-OE1 3.04Å
89	T	36.3	Very low	40.4	Very low	109 Å²	109	109.6 Å²	109.6	67%	0.669	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	4.1	176.9	51.1	0	0	0	0	115.2	I86 E87	I86-T89 PolarHBondContact O-N 2.87Å; I86-T89 PolarHBondContact O-OG1 3.44Å; E87-T89 PolarHBondContact O-N 2.96Å
90	Q	30.6	Very low	39.1	Very low	168 Å²	168	109.2 Å²	109.2	79%	0.785	60%	0.601	S	S	*	*	S	Bend	trans	-136.3	39.9	-175.6	-62.9	-166.4	3.9	0	0	116.5	E87	E87-Q90 PolarHBondContact O-N 3.35Å
91	T	28.3	Very low	38	Very low	123 Å²	123	116 Å²	116	76%	0.755	63%	0.632	S	S	*	*			trans	-142.3	75.1	173.9	38.5	0	0	0	0	114.2
92	S	25.1	Very low	36.7	Very low	117 Å²	117	121.8 Å²	121.8	82%	0.818	66%	0.663	S	S	*	*			trans	-137.4	32.2	-177.8	63.4	0	0	0	0	116.2
93	T	27.5	Very low	35.2	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	68%	0.675	S	S	*	*			trans	-141.4	107.7	172.6	54.4	0	0	0	0	114.4
94	F	28.6	Very low	33.9	Very low	207 Å²	207	124.4 Å²	124.4	91%	0.908	69%	0.688	S	S	*	*			trans	-155.2	119.8	141.6	-123.3	-78.4	0	0	0	110.8
95	Q	28.8	Very low	33.3	Very low	176 Å²	176	126.1 Å²	126.1	82%	0.822	71%	0.708	S	S	*	*			trans	-112.1	140	176.3	-61.8	176.6	-9.6	0	0	109.7
96	V	31.3	Very low	32.6	Very low	134 Å²	134	129 Å²	129	81%	0.812	73%	0.73	S	S	*	*			trans	-151.4	155.3	144	-147.2	0	0	0	0	110.6
97	N	29.3	Very low	31.5	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	74%	0.737	S	S	*	*			trans	-116.5	177.3	174.1	-73.8	-84.2	0	0	0	109.2
98	T	28	Very low	31	Very low	133 Å²	133	133.4 Å²	133.4	82%	0.816	75%	0.75	S	S	*	*			cis	-156.6	175.2	24.7	-33	0	0	0	0	111.8
99	A	29.9	Very low	30.6	Very low	84 Å²	84	136.8 Å²	136.8	69%	0.694	77%	0.768	S	S	*	*			trans	-44	157.5	171.4	0	0	0	0	0	118.2
100	S	34	Very low	30.5	Very low	94 Å²	94	137.1 Å²	137.1	66%	0.657	77%	0.774	S	S	*	*				-178.1	132	115.9	-83.4	0	0	0	0	115.5
101	Q	32	Very low	30.4	Very low	168 Å²	168	135.7 Å²	135.7	79%	0.785	77%	0.772	S	S	*	*				55.4	148.7	125.8	-57	-174.7	45	0	0	120.8
102	L	29.7	Very low	30.7	Very low	126 Å²	126	138 Å²	138	66%	0.66	78%	0.778	S	S	*	*			cis	-168.8	160	-3	-112.3	173.2	0	0	0	110.2
103	L	30.6	Very low	30.7	Very low	155 Å²	155	137.6 Å²	137.6	81%	0.812	77%	0.771	S	S	*	*			trans	63.2	156.8	157.7	-63.2	159.7	0	0	0	118.4
104	S	32	Very low	31	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	78%	0.777	S	S	*	*			cis	-163.3	151.8	-24.4	65.2	0	0	0	0	107.2
105	S	36.5	Very low	31	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	77%	0.768	S	S	*	*				166.5	167.2	76.5	-91.4	0	0	0	0	109.9
106	P	34.5	Very low	31	Very low	114 Å²	114	135.6 Å²	135.6	74%	0.74	77%	0.772	S	S	*	*			trans	-133.2	170.6	-152.1	43.5	-29	0	0	0	119.8
107	S	27.9	Very low	30.9	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	77%	0.768	S	S	*	*			trans	71.4	126.1	148.8	-62.1	0	0	0	0	122.2
108	R	32.3	Very low	31.1	Very low	242 Å²	242	138 Å²	138	91%	0.913	77%	0.773	S	S	*	*				-178.9	149.6	103.3	-95.3	170.5	-162	-131	1.5	115.6
109	N	28.7	Very low	31.3	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	77%	0.773	S	S	*	*			trans	-28.1	154.4	162	-63.4	-2.3	0	0	0	116.4
110	S	35.2	Very low	31.1	Very low	115 Å²	115	145.2 Å²	145.2	80%	0.804	79%	0.785	S	S	*	*				-158.1	167.7	60.9	60.3	0	0	0	0	118.6
111	N	28.4	Very low	31.1	Very low	138 Å²	138	145.1 Å²	145.1	74%	0.738	78%	0.784	S	S	*	*			trans	-67.3	158.9	-173.9	-43	-55	0	0	0	114.2
112	I	33.7	Very low	31.2	Very low	173 Å²	173	143.2 Å²	143.2	89%	0.887	78%	0.784	S	S	*	*				-146.4	142.7	120.3	-107.6	157.6	0	0	0	109.9
113	T	26.3	Very low	31.1	Very low	108 Å²	108	145.6 Å²	145.6	66%	0.663	80%	0.797	S	S	*	*			trans	-92.6	152.3	-175.5	50.8	0	0	0	0	112.2
114	N	34.1	Very low	31.2	Very low	172 Å²	172	143.3 Å²	143.3	92%	0.92	79%	0.794	S	S	*	*				-152.7	123	127.8	-102	-35.1	0	0	0	111.8
115	K	28.9	Very low	31.3	Very low	165 Å²	165	146 Å²	146	72%	0.717	80%	0.801	S	S	*	*			trans	-117.4	118.6	-176.2	-161.6	-175.5	-168.5	-176.7	0	107.5	Q117	K115-Q117 HydrophobicContact CG-CG 4.44Å
116	C	27	Very low	31.2	Very low	132 Å²	132	146.5 Å²	146.5	89%	0.892	80%	0.801	S	S	*	*			trans	-113.3	93.2	173.8	-108.3	0	0	0	0	110.1
117	Q	30.6	Very low	31.4	Very low	158 Å²	158	146.6 Å²	146.6	74%	0.738	80%	0.802	S	S	*	*			trans	-85.9	117.5	167.9	-65.2	174.7	-87.7	0	0	108.3	K115	K115-Q117 HydrophobicContact CG-CG 4.44Å
118	I	32.7	Very low	32	Very low	162 Å²	162	149.9 Å²	149.9	83%	0.831	80%	0.803	S	S	*	*			trans	-104.9	133.5	167.4	-62.2	-177.5	0	0	0	107.8
119	K	32.4	Very low	32.5	Very low	188 Å²	188	146.1 Å²	146.1	82%	0.817	80%	0.799	S	S	*	*			trans	-70.2	140.5	-167.6	-67.5	175.7	177.1	176.6	0	112.1	S121	K119-S121 PolarHBondContact O-N 3.07Å
120	L	25.5	Very low	33.3	Very low	181 Å²	181	148.1 Å²	148.1	95%	0.948	80%	0.801	S	S	*	*			trans	-75.5	116.4	161.9	-178	66.4	0	0	0	108.9
121	S	33.8	Very low	33.9	Very low	91 Å²	91	152.1 Å²	152.1	64%	0.636	80%	0.804	S	S	*	*			trans	-141.3	100.9	175.4	58.8	0	0	0	0	111.9	K119	K119-S121 PolarHBondContact O-N 3.07Å
122	T	34.6	Very low	34.9	Very low	129 Å²	129	155.7 Å²	155.7	79%	0.791	81%	0.807	S	S	*	*			trans	41	97.3	145	55.2	0	0	0	0	119.2
123	L	27.9	Very low	36	Very low	176 Å²	176	155.8 Å²	155.8	92%	0.921	80%	0.803	S	S	*	*				60.8	87.4	120.2	-154.1	80.4	0	0	0	119
124	S	31.4	Very low	37.8	Very low	106 Å²	106	155.1 Å²	155.1	74%	0.741	80%	0.801	S	S	*	*			trans	-158.5	132.6	137.8	56.4	0	0	0	0	112.7
125	N	34.8	Very low	39.3	Very low	153 Å²	153	153.8 Å²	153.8	82%	0.818	78%	0.784	S	S	*	*			trans	56.1	112.3	169.6	-61.4	-44.6	0	0	0	118.7
126	P	35	Very low	40.9	Very low	118 Å²	118	150 Å²	150	77%	0.766	77%	0.771	S	S	*	*			trans	-71.1	143.9	175.7	30	-34.7	0	0	0	112.6
127	P	37.4	Very low	42.6	Very low	116 Å²	116	145.3 Å²	145.3	75%	0.753	74%	0.738	S	S	*	*			trans	-69	138.5	178.4	28.6	-34.4	0	0	0	111.6	I129	P127-I129 PolarHBondContact O-N 2.83Å
128	K	41.4	Very low	43.7	Very low	175 Å²	175	142.4 Å²	142.4	76%	0.761	74%	0.736	S	S	*	*			trans	-69.1	99.7	179.3	-64.8	172.4	-174.8	171.9	0	110	K130	K128-K130 PolarHBondContact O-N 2.97Å
129	I	42.6	Very low	45.2	Very low	163 Å²	163	139.2 Å²	139.2	84%	0.836	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-53.1	125.7	174.8	-60.9	175.9	0	0	0	109.5	P127	P127-I129 PolarHBondContact O-N 2.83Å
130	K	45.3	Very low	46.7	Very low	192 Å²	192	132.9 Å²	132.9	84%	0.835	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-73.3	133.3	174.4	-65	177.2	-179.2	175.6	0	108.7	K128 R132	K128-K130 PolarHBondContact O-N 2.97Å; K130-R132 PolarHBondContact O-N 3.28Å
131	K	47.3	Very low	48.3	Very low	199 Å²	199	126.1 Å²	126.1	87%	0.865	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-58.4	135	169.3	-67.6	-170.5	174.6	-168	0	108.6
132	R	49.9	Very low	49.6	Very low	213 Å²	213	126.5 Å²	126.5	80%	0.804	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-60.1	137.1	167.4	-65.6	-176.1	-179.8	-168.1	-3.3	107.9	K130 H525	K130-R132 PolarHBondContact O-N 3.28Å; R132-H525 PolarHBondContact NH2-NE2 3.05Å
133	E	56.7	Low	50.9	Low	175 Å²	175	127.5 Å²	127.5	82%	0.818	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-70.2	148.5	-177.5	-67.5	-175.1	138.9	0	0	110.9
134	P	63.8	Low	52.4	Low	93 Å²	93	122.9 Å²	122.9	60%	0.604	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-59.2	143.4	178.5	-22.5	33.8	0	0	0	111.6	I136	P134-I136 PolarHBondContact O-N 3.4Å; P134-I136 VanDerWaalsContact O-N 3.09Å
135	Y	66.4	Low	54	Low	145 Å²	145	119.3 Å²	119.3	57%	0.569	62%	0.619	S	S	*	*			trans	-61.8	114	171.9	174.4	-101.2	0	0	0	110.4	P137	Y135-P137 HydrophobicContact CD1-CG 4.32Å; Y135-P137 HydrophobicContact CE1-CB 4.22Å; Y135-P137 HydrophobicContact CE1-CG 3.82Å
136	I	62.5	Low	55.7	Low	86 Å²	86	115.6 Å²	115.6	44%	0.441	60%	0.604	S	S	.	*			trans	-99.4	117.2	170.5	-59.1	179.1	0	0	0	107	P134 M140 P142	P134-I136 PolarHBondContact O-N 3.4Å; P134-I136 VanDerWaalsContact O-N 3.09Å; I136-M140 HydrophobicContact CG2-CB 3.71Å; I136-M140 VanDerWaalsContact CG2-O 3.27Å; I136-M140 WeakPolarHBondContact CG2-O 3.4Å; I136-P142 HydrophobicContact CD1-CG 4.48Å
137	P	61.9	Low	58	Low	32 Å²	32	113 Å²	113	21%	0.208	58%	0.581	C	S	.	*			trans	-59	143.6	171.4	-19.8	30.4	0	0	0	110.4	Y135 Y139 M140 D141	Y135-P137 HydrophobicContact CD1-CG 4.32Å; Y135-P137 HydrophobicContact CE1-CB 4.22Å; Y135-P137 HydrophobicContact CE1-CG 3.82Å; P137-Y139 HydrophobicContact CB-CD1 3.79Å; P137-Y139 HydrophobicContact CB-CE1 3.37Å; P137-Y139 HydrophobicContact CB-CE2 4.28Å; P137-Y139 HydrophobicContact CB-CG 4.41Å; P137-Y139 HydrophobicContact CG-CE1 4.16Å; P137-Y139 PolarHBondContact O-N 2.98Å; P137-M140 WeakPolarHBondContact O-CA 3.49Å; P137-M140 PolarHBondContact O-N 3.45Å; P137-D141 PolarHBondContact O-N 2.9Å
138	S	55.4	Low	60.5	Low	98 Å²	98	110.8 Å²	110.8	69%	0.685	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-59	-24.7	-172.6	60	0	0	0	0	115	M140 D141	S138-M140 PolarHBondContact O-N 2.92Å; S138-D141 VanDerWaalsContact O-CB 3.3Å; S138-D141 WeakPolarHBondContact O-CB 3.45Å; S138-D141 PolarHBondContact O-N 3.13Å
139	Y	62.4	Low	63.1	Low	95 Å²	95	102.7 Å²	102.7	37%	0.373	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-73.9	-3.2	173.1	65.3	-102.2	0	0	0	114.3	P137 F159 M164	P137-Y139 HydrophobicContact CB-CD1 3.79Å; P137-Y139 HydrophobicContact CB-CE1 3.37Å; P137-Y139 HydrophobicContact CB-CE2 4.28Å; P137-Y139 HydrophobicContact CB-CG 4.41Å; P137-Y139 HydrophobicContact CG-CE1 4.16Å; P137-Y139 PolarHBondContact O-N 2.98Å; Y139-F159 AromaticContact CD1-CE2 3.95Å; Y139-F159 HydrophobicContact CD1-CE2 3.95Å; Y139-F159 HydrophobicContact CD2-CD2 4.15Å; Y139-F159 AromaticContact CD2-CE2 3.98Å; Y139-F159 HydrophobicContact CD2-CE2 3.98Å; Y139-F159 HydrophobicContact CE1-CD2 4.14Å; Y139-F159 AromaticContact CE1-CE2 3.98Å; Y139-F159 HydrophobicContact CE1-CE2 3.98Å; Y139-F159 AromaticContact CE2-CD2 3.75Å; Y139-F159 HydrophobicContact CE2-CD2 3.75Å; Y139-F159 HydrophobicContact CE2-CE2 4.02Å; Y139-F159 AromaticContact CG-CE2 3.95Å; Y139-F159 HydrophobicContact CG-CE2 3.95Å; Y139-F159 AromaticContact CZ-CD2 3.75Å; Y139-M164 HydrophobicContact CD2-CE 3.52Å; Y139-M164 HydrophobicContact CE2-CE 4.3Å; Y139-M164 HydrophobicContact CG-CE 3.94Å
140	M	64.2	Low	65.6	Low	55 Å²	55	98.1 Å²	98.1	27%	0.271	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-118.4	9.7	171.4	-62.1	-83.4	81.5	0	0	111.7	I136 P137 S138 P142 G158 M164	I136-M140 HydrophobicContact CG2-CB 3.71Å; I136-M140 VanDerWaalsContact CG2-O 3.27Å; I136-M140 WeakPolarHBondContact CG2-O 3.4Å; P137-M140 WeakPolarHBondContact O-CA 3.49Å; P137-M140 PolarHBondContact O-N 3.45Å; S138-M140 PolarHBondContact O-N 2.92Å; M140-P142 VanDerWaalsContact O-CD 3.27Å; M140-P142 WeakPolarHBondContact O-CD 3.47Å; M140-G158 PolarHBondContact SD-N 3.37Å; M140-G158 VanDerWaalsContact SD-N 3.42Å; M140-M164 HydrophobicContact CE-SD 4.38Å
141	D	60.2	Low	68	Low	38 Å²	38	89.1 Å²	89.1	20%	0.203	47%	0.473	C	S	.	.			trans	-58.6	117.2	177.2	-175.1	-13.7	0	0	0	109.9	P137 S138 L143 A144	P137-D141 PolarHBondContact O-N 2.9Å; S138-D141 VanDerWaalsContact O-CB 3.3Å; S138-D141 WeakPolarHBondContact O-CB 3.45Å; S138-D141 PolarHBondContact O-N 3.13Å; D141-L143 PolarHBondContact O-N 2.96Å; D141-L143 VanDerWaalsContact O-N 3.09Å; D141-L143 VanDerWaalsContact OD1-CB 3.26Å; D141-L143 WeakPolarHBondContact OD1-CB 3.25Å; D141-L143 WeakPolarHBondContact OD1-CG 3.5Å; D141-L143 PolarHBondContact OD1-N 2.99Å; D141-A144 HydrophobicContact CB-CB 4.45Å; D141-A144 PolarHBondContact O-N 2.91Å; D141-A144 VanDerWaalsContact O-N 3.15Å
142	P	59.7	Low	70.4	Confident	99 Å²	99	79.7 Å²	79.7	64%	0.643	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.6	179	-24.3	35.3	0	0	0	113.7	I136 M140 G145	I136-P142 HydrophobicContact CD1-CG 4.48Å; M140-P142 VanDerWaalsContact O-CD 3.27Å; M140-P142 WeakPolarHBondContact O-CD 3.47Å; P142-G145 PolarHBondContact O-N 3.29Å
143	L	61.8	Low	72.4	Confident	150 Å²	150	71.6 Å²	71.6	79%	0.785	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-28.6	-179.3	-57.9	173	0	0	0	113	D141 G145	D141-L143 PolarHBondContact O-N 2.96Å; D141-L143 VanDerWaalsContact O-N 3.09Å; D141-L143 VanDerWaalsContact OD1-CB 3.26Å; D141-L143 WeakPolarHBondContact OD1-CB 3.25Å; D141-L143 WeakPolarHBondContact OD1-CG 3.5Å; D141-L143 PolarHBondContact OD1-N 2.99Å; L143-G145 VanDerWaalsContact C-N 3.27Å
144	A	60.8	Low	74.2	Confident	80 Å²	80	64.1 Å²	64.1	66%	0.661	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.3	175.2	0	0	0	0	0	112.8	D141	D141-A144 HydrophobicContact CB-CB 4.45Å; D141-A144 PolarHBondContact O-N 2.91Å; D141-A144 VanDerWaalsContact O-N 3.15Å
145	G	63.7	Low	75.6	Confident	30 Å²	30	63.9 Å²	63.9	31%	0.309	37%	0.374	S	S	.	.			trans	76.5	154.4	-165.6	0	0	0	0	0	112.3	P142 L143 E147	P142-G145 PolarHBondContact O-N 3.29Å; L143-G145 VanDerWaalsContact C-N 3.27Å; G145-E147 PolarHBondContact O-N 3.01Å
146	P	71.3	Confident	76.8	Confident	76 Å²	76	57.3 Å²	57.3	49%	0.494	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69	119.9	179.4	28.1	-34.8	0	0	0	111	N155	P146-N155 HydrophobicContact CB-CB 4.13Å; P146-N155 HydrophobicContact CG-CB 4.16Å; P146-N155 WeakPolarHBondContact CG-ND2 3.28Å
147	E	82.8	Confident	78.1	Confident	63 Å²	63	56.2 Å²	56.2	29%	0.294	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-48	138.5	173	-78.9	-71.6	151.6	0	0	111.6	G145 A156 M164 K644	G145-E147 PolarHBondContact O-N 3.01Å; E147-A156 WeakPolarHBondContact O-CA 3.39Å; E147-A156 WeakPolarHBondContact O-CB 3.43Å; E147-A156 PolarHBondContact O-N 2.73Å; E147-M164 HydrophobicContact CB-CE 4.4Å; E147-M164 HydrophobicContact CB-CG 3.95Å; E147-M164 HydrophobicContact CB-SD 4.2Å; E147-K644 IonicContact OE1-NZ 2.83Å; E147-K644 PolarHBondContact OE1-NZ 3.38Å; E147-K644 IonicContact OE2-NZ 3.85Å; E147-K644 PolarHBondContact OE2-NZ 3.39Å
148	P	91.1	Very high	79.3	Confident	70 Å²	70	55 Å²	55	46%	0.455	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-72.5	144.6	180	29.3	-34.6	0	0	0	111.5	V150	P148-V150 PolarHBondContact O-N 3.45Å
149	C	95.5	Very high	81	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.027	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-64.9	119.9	172.5	174.9	0	0	0	0	110.8	V151 C152 G153 D154 T165 C166	C149-V151 PolarHBondContact O-N 2.97Å; C149-C152 PolarHBondContact O-N 3.42Å; C149-G153 PolarHBondContact O-N 2.8Å; C149-D154 WeakPolarHBondContact CB-O 3.21Å; C149-D154 PolarHBondContact N-O 3.02Å; C149-T165 VanDerWaalsContact SG-CA 3.57Å; C149-C166 HydrophobicContact CB-CB 4.05Å; C149-C166 PolarHBondContact SG-N 3.28Å; C149-C166 VanDerWaalsContact SG-N 3.45Å; C149-C166 VanDerWaalsContact SG-SG 3.64Å
150	V	93.9	Very high	82.5	Confident	68 Å²	68	52.3 Å²	52.3	41%	0.412	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.7	-179.1	-58	0	0	0	0	114.4	P148 A163 M164 T165	P148-V150 PolarHBondContact O-N 3.45Å; V150-A163 HydrophobicContact CG2-CB 4.24Å; V150-M164 HydrophobicContact CG1-CB 4.34Å; V150-M164 PolarHBondContact N-O 2.81Å; V150-M164 VanDerWaalsContact N-O 3.16Å; V150-T165 HydrophobicContact CG2-CG2 4.15Å
151	V	96.5	Very high	84	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-35.8	177.9	-174.7	0	0	0	0	112.9	C149 T165 C169 V193 R206 R209 M215	C149-V151 PolarHBondContact O-N 2.97Å; V151-T165 HydrophobicContact CG2-CG2 3.94Å; V151-C169 HydrophobicContact CB-CB 4.23Å; V151-C169 HydrophobicContact CG1-CB 4.39Å; V151-C169 HydrophobicContact CG2-CB 4.37Å; V151-V193 HydrophobicContact CG1-CG1 4.46Å; V151-R206 HydrophobicContact CG1-CG 4.29Å; V151-R209 HydrophobicContact CG1-CB 4.17Å; V151-R209 HydrophobicContact CG1-CG 4.1Å; V151-M215 HydrophobicContact CG2-SD 4.17Å
152	C	96.9	Very high	85.4	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.007	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-160.5	25	-166.7	72.3	0	0	0	0	117.8	C149 D154 C169 V193 S194 D195 K196 R199	C149-C152 PolarHBondContact O-N 3.42Å; C152-D154 PolarHBondContact O-N 3.24Å; C152-C169 PolarHBondContact SG-SG 3.34Å; C152-V193 WeakPolarHBondContact CA-O 3.49Å; C152-V193 HydrophobicContact CB-CG1 4.37Å; C152-V193 WeakPolarHBondContact CB-O 3.2Å; C152-S194 CarbonylContact C-O 3.44Å; C152-D195 CarbonylContact O-C 3.56Å; C152-K196 PolarHBondContact O-N 3.21Å; C152-R199 HydrophobicContact CB-CB 3.79Å; C152-R199 HydrophobicContact CB-CG 4.45Å; C152-R199 WeakPolarHBondContact SG-CD 3.27Å; C152-R199 PolarHBondContact SG-NH1 2.99Å
153	G	93.7	Very high	86.9	Confident	43 Å²	43	54.3 Å²	54.3	44%	0.443	31%	0.309	S	S	.	.	S	Bend	trans	72.2	-36.1	172.1	0	0	0	0	0	116.4	C149 S194	C149-G153 PolarHBondContact O-N 2.8Å; G153-S194 PolarHBondContact N-O 3.39Å
154	D	94.7	Very high	88.4	Confident	17 Å²	17	48 Å²	48	9%	0.091	28%	0.276	C	S	.	.	S	Bend	trans	-45.8	140.7	175.3	-168.8	16.4	0	0	0	111.9	C149 C152 A156 C166 K196 R199	C149-D154 WeakPolarHBondContact CB-O 3.21Å; C149-D154 PolarHBondContact N-O 3.02Å; C152-D154 PolarHBondContact O-N 3.24Å; D154-A156 PolarHBondContact O-N 2.62Å; D154-C166 HydrophobicContact CB-CB 4.12Å; D154-K196 HydrophobicContact CB-CB 4.05Å; D154-K196 HydrophobicContact CB-CD 4.4Å; D154-K196 HydrophobicContact CB-CG 4.1Å; D154-K196 WeakPolarHBondContact OD1-CD 3.28Å; D154-K196 WeakPolarHBondContact OD1-CE 3.41Å; D154-K196 IonicContact OD1-NZ 2.71Å; D154-K196 PolarHBondContact OD1-NZ 3.17Å; D154-K196 IonicContact OD2-NZ 2.82Å; D154-R199 IonicContact OD2-CZ 2.68Å; D154-R199 IonicContact OD2-NH1 3.15Å; D154-R199 PolarHBondContact OD2-NH1 3.45Å; D154-R199 IonicContact OD2-NH2 2.72Å; D154-R199 PolarHBondContact OD2-NH2 2.96Å
155	N	91.7	Very high	89.9	Confident	88 Å²	88	44.2 Å²	44.2	47%	0.471	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-54.6	125.4	-169.6	-50.3	97	0	0	0	111.3	P146 C166	P146-N155 HydrophobicContact CB-CB 4.13Å; P146-N155 HydrophobicContact CG-CB 4.16Å; P146-N155 WeakPolarHBondContact CG-ND2 3.28Å; N155-C166 WeakPolarHBondContact O-CB 3.04Å
156	A	91.7	Very high	91.5	Very high	7 Å²	7	42.9 Å²	42.9	6%	0.058	23%	0.23	C	C	.	.			trans	-71.7	155.5	178.7	0	0	0	0	0	111.4	E147 D154 M164 T165	E147-A156 WeakPolarHBondContact O-CA 3.39Å; E147-A156 WeakPolarHBondContact O-CB 3.43Å; E147-A156 PolarHBondContact O-N 2.73Å; D154-A156 PolarHBondContact O-N 2.62Å; A156-M164 HydrophobicContact CB-CG 3.63Å; A156-M164 HydrophobicContact CB-SD 3.53Å; A156-M164 VanDerWaalsContact CB-SD 3.53Å; A156-T165 WeakPolarHBondContact CA-O 3.46Å
157	T	89.8	Confident	92.6	Very high	63 Å²	63	43.8 Å²	43.8	39%	0.387	23%	0.228	S	C	.	.			trans	-123	29.1	-177.7	46.9	0	0	0	0	110.3	H160 T165 E167	T157-H160 PolarHBondContact O-NE2 3.09Å; T157-H160 PolarHBondContact OG1-NE2 2.87Å; T157-T165 PolarHBondContact N-O 3.41Å; T157-T165 PolarHBondContact OG1-O 3.33Å; T157-T165 VanDerWaalsContact OG1-O 3.09Å; T157-E167 HydrophobicContact CG2-CG 4.12Å; T157-E167 PolarHBondContact OG1-N 2.9Å; T157-E167 PolarHBondContact OG1-OE1 3.3Å
158	G	87.6	Confident	93.3	Very high	6 Å²	6	42.1 Å²	42.1	6%	0.062	23%	0.227	C	C	.	.	S	Bend	trans	99.3	-169.5	-174.1	0	0	0	0	0	113.8	M140 T165	M140-G158 PolarHBondContact SD-N 3.37Å; M140-G158 VanDerWaalsContact SD-N 3.42Å; G158-T165 PolarHBondContact O-N 3.43Å
159	F	90.5	Very high	93.6	Very high	112 Å²	112	38.8 Å²	38.8	49%	0.491	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115	177.7	-72.3	-88.8	0	0	0	111	Y139 R162 A163 M164	Y139-F159 AromaticContact CD1-CE2 3.95Å; Y139-F159 HydrophobicContact CD1-CE2 3.95Å; Y139-F159 HydrophobicContact CD2-CD2 4.15Å; Y139-F159 AromaticContact CD2-CE2 3.98Å; Y139-F159 HydrophobicContact CD2-CE2 3.98Å; Y139-F159 HydrophobicContact CE1-CD2 4.14Å; Y139-F159 AromaticContact CE1-CE2 3.98Å; Y139-F159 HydrophobicContact CE1-CE2 3.98Å; Y139-F159 AromaticContact CE2-CD2 3.75Å; Y139-F159 HydrophobicContact CE2-CD2 3.75Å; Y139-F159 HydrophobicContact CE2-CE2 4.02Å; Y139-F159 AromaticContact CG-CE2 3.95Å; Y139-F159 HydrophobicContact CG-CE2 3.95Å; Y139-F159 AromaticContact CZ-CD2 3.75Å; F159-R162 WeakPolarHBondContact CD1-O 3.44Å; F159-A163 WeakPolarHBondContact CA-O 3.36Å; F159-M164 HydrophobicContact CD2-CE 3.91Å; F159-M164 HydrophobicContact CE1-CB 4.34Å; F159-M164 HydrophobicContact CE1-CE 4.42Å; F159-M164 HydrophobicContact CE2-CE 3.46Å; F159-M164 VanDerWaalsContact CE2-CE 3.46Å; F159-M164 HydrophobicContact CZ-CE 3.76Å
160	H	94.5	Very high	93.7	Very high	26 Å²	26	40.9 Å²	40.9	12%	0.12	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.3	170.1	-53.9	-70.8	0	0	0	109.2	T157 R162 A163 T165 E167 K170	T157-H160 PolarHBondContact O-NE2 3.09Å; T157-H160 PolarHBondContact OG1-NE2 2.87Å; H160-R162 VanDerWaalsContact C-N 3.29Å; H160-R162 PolarHBondContact O-N 3.3Å; H160-A163 PolarHBondContact N-O 3.22Å; H160-A163 PolarHBondContact O-N 3.24Å; H160-A163 VanDerWaalsContact O-N 3.08Å; H160-T165 WeakPolarHBondContact CB-OG1 3.2Å; H160-T165 PolarHBondContact CD2-O 2.96Å; H160-T165 VanDerWaalsContact CD2-O 3.3Å; H160-T165 PolarHBondContact CD2-OG1 3.29Å; H160-E167 IonicContact CE1-OE1 2.72Å; H160-E167 PolarHBondContact CE1-OE1 2.99Å; H160-E167 IonicContact NE2-OE1 3.57Å; H160-E167 PolarHBondContact NE2-OE1 3.05Å; H160-K170 HydrophobicContact CB-CB 3.84Å; H160-K170 HydrophobicContact CB-CD 4.31Å; H160-K170 HydrophobicContact CB-CG 3.76Å; H160-K170 VanDerWaalsContact CE1-CE 3.49Å; H160-K170 WeakPolarHBondContact CE1-CE 3.2Å; H160-K170 PolarHBondContact CE1-NZ 3.44Å; H160-K170 WeakPolarHBondContact ND1-CD 3.33Å; H160-K170 WeakPolarHBondContact ND1-CE 3.35Å
161	Y	95.5	Very high	93.9	Very high	46 Å²	46	38.1 Å²	38.1	18%	0.18	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.9	-177.6	-49.4	-75.1	0	0	0	112.5	A163 K170 F173 R174 M215 A216 L219 V220	Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 2.84Å; Y161-K170 HydrophobicContact CE2-CG 4.09Å; Y161-F173 AromaticContact CD2-CD1 3.74Å; Y161-F173 HydrophobicContact CD2-CD1 3.74Å; Y161-F173 HydrophobicContact CD2-CE1 4.33Å; Y161-F173 HydrophobicContact CE2-CD1 4.31Å; Y161-F173 AromaticContact CG-CD1 3.9Å; Y161-F173 HydrophobicContact CG-CD1 3.9Å; Y161-F173 HydrophobicContact CG-CE1 4.02Å; Y161-R174 HydrophobicContact CE2-CB 4.23Å; Y161-R174 VanDerWaalsContact OH-CD 3.25Å; Y161-R174 WeakPolarHBondContact OH-CD 3.23Å; Y161-R174 WeakPolarHBondContact OH-CG 3.41Å; Y161-M215 HydrophobicContact CD2-CE 3.81Å; Y161-M215 CarbonylContact O-C 3Å; Y161-M215 WeakPolarHBondContact O-CA 3.4Å; Y161-A216 PolarHBondContact O-N 2.85Å; Y161-L219 HydrophobicContact CD1-CB 3.92Å; Y161-L219 WeakPolarHBondContact CE1-O 3.23Å; Y161-V220 HydrophobicContact CD1-CG2 3.72Å; Y161-V220 HydrophobicContact CE1-CB 4.37Å; Y161-V220 HydrophobicContact CE1-CG2 3.61Å; Y161-V220 HydrophobicContact CG-CG2 4.38Å
162	R	89.6	Confident	94	Very high	184 Å²	184	38.5 Å²	38.5	69%	0.694	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	-2.3	-174	-64.8	175.6	-176	-85.8	2.9	117.5	F159 H160 A216 L219	F159-R162 WeakPolarHBondContact CD1-O 3.44Å; H160-R162 VanDerWaalsContact C-N 3.29Å; H160-R162 PolarHBondContact O-N 3.3Å; R162-A216 HydrophobicContact CB-CB 4.47Å; R162-A216 HydrophobicContact CG-CB 4.44Å; R162-L219 HydrophobicContact CG-CD1 3.72Å
163	A	90.7	Very high	94	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.033	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.3	178.1	0	0	0	0	0	113.8	V150 F159 H160 Y161 T165 G213 M215	V150-A163 HydrophobicContact CG2-CB 4.24Å; F159-A163 WeakPolarHBondContact CA-O 3.36Å; H160-A163 PolarHBondContact N-O 3.22Å; H160-A163 PolarHBondContact O-N 3.24Å; H160-A163 VanDerWaalsContact O-N 3.08Å; Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 2.84Å; A163-T165 HydrophobicContact CB-CG2 3.82Å; A163-T165 PolarHBondContact O-N 3.4Å; A163-T165 PolarHBondContact O-OG1 3.37Å; A163-G213 WeakPolarHBondContact CB-O 3.47Å; A163-M215 HydrophobicContact CB-CG 3.5Å
164	M	92.7	Very high	94.2	Very high	18 Å²	18	41.5 Å²	41.5	9%	0.089	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	104	172.9	-176.1	59.4	76.5	0	0	110.3	Y139 M140 E147 V150 A156 F159	Y139-M164 HydrophobicContact CD2-CE 3.52Å; Y139-M164 HydrophobicContact CE2-CE 4.3Å; Y139-M164 HydrophobicContact CG-CE 3.94Å; M140-M164 HydrophobicContact CE-SD 4.38Å; E147-M164 HydrophobicContact CB-CE 4.4Å; E147-M164 HydrophobicContact CB-CG 3.95Å; E147-M164 HydrophobicContact CB-SD 4.2Å; V150-M164 HydrophobicContact CG1-CB 4.34Å; V150-M164 PolarHBondContact N-O 2.81Å; V150-M164 VanDerWaalsContact N-O 3.16Å; A156-M164 HydrophobicContact CB-CG 3.63Å; A156-M164 HydrophobicContact CB-SD 3.53Å; A156-M164 VanDerWaalsContact CB-SD 3.53Å; F159-M164 HydrophobicContact CD2-CE 3.91Å; F159-M164 HydrophobicContact CE1-CB 4.34Å; F159-M164 HydrophobicContact CE1-CE 4.42Å; F159-M164 HydrophobicContact CE2-CE 3.46Å; F159-M164 VanDerWaalsContact CE2-CE 3.46Å; F159-M164 HydrophobicContact CZ-CE 3.76Å
165	T	93.9	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.218	C	C	.	.			trans	-145.6	156	-166.6	50.7	0	0	0	0	114.9	C149 V150 V151 A156 T157 G158 H160 A163 M215	C149-T165 VanDerWaalsContact SG-CA 3.57Å; V150-T165 HydrophobicContact CG2-CG2 4.15Å; V151-T165 HydrophobicContact CG2-CG2 3.94Å; A156-T165 WeakPolarHBondContact CA-O 3.46Å; T157-T165 PolarHBondContact N-O 3.41Å; T157-T165 PolarHBondContact OG1-O 3.33Å; T157-T165 VanDerWaalsContact OG1-O 3.09Å; G158-T165 PolarHBondContact O-N 3.43Å; H160-T165 WeakPolarHBondContact CB-OG1 3.2Å; H160-T165 PolarHBondContact CD2-O 2.96Å; H160-T165 VanDerWaalsContact CD2-O 3.3Å; H160-T165 PolarHBondContact CD2-OG1 3.29Å; A163-T165 HydrophobicContact CB-CG2 3.82Å; A163-T165 PolarHBondContact O-N 3.4Å; A163-T165 PolarHBondContact O-OG1 3.37Å; T165-M215 HydrophobicContact CG2-CE 4.33Å; T165-M215 HydrophobicContact CG2-CG 4.49Å; T165-M215 HydrophobicContact CG2-SD 4.05Å
166	C	96.3	Very high	94.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.014	20%	0.196	C	C	.	.			trans	-79.1	155.1	171.3	63	0	0	0	0	111	C149 D154 N155 G168 C169 K170 R199	C149-C166 HydrophobicContact CB-CB 4.05Å; C149-C166 PolarHBondContact SG-N 3.28Å; C149-C166 VanDerWaalsContact SG-N 3.45Å; C149-C166 VanDerWaalsContact SG-SG 3.64Å; D154-C166 HydrophobicContact CB-CB 4.12Å; N155-C166 WeakPolarHBondContact O-CB 3.04Å; C166-G168 PolarHBondContact O-N 3.06Å; C166-C169 PolarHBondContact O-N 3.18Å; C166-K170 PolarHBondContact O-N 3.14Å; C166-R199 PolarHBondContact SG-NH1 3.28Å
167	E	95.8	Very high	94.6	Very high	95 Å²	95	43.9 Å²	43.9	44%	0.444	20%	0.203	S	C	.	.	H	α-helix	trans	-50.7	-33.7	174.3	-70.5	-60.9	120.3	0	0	113.1	T157 H160 C169 K170 G171	T157-E167 HydrophobicContact CG2-CG 4.12Å; T157-E167 PolarHBondContact OG1-N 2.9Å; T157-E167 PolarHBondContact OG1-OE1 3.3Å; H160-E167 IonicContact CE1-OE1 2.72Å; H160-E167 PolarHBondContact CE1-OE1 2.99Å; H160-E167 IonicContact NE2-OE1 3.57Å; H160-E167 PolarHBondContact NE2-OE1 3.05Å; E167-C169 PolarHBondContact O-N 3.42Å; E167-K170 VanDerWaalsContact CD-CD 3.5Å; E167-K170 VanDerWaalsContact OE1-CD 3.28Å; E167-K170 WeakPolarHBondContact OE1-CD 3.3Å; E167-K170 IonicContact OE1-NZ 2.96Å; E167-K170 PolarHBondContact OE1-NZ 3.35Å; E167-K170 WeakPolarHBondContact OE2-CD 3.32Å; E167-K170 WeakPolarHBondContact OE2-CE 3.48Å; E167-K170 IonicContact OE2-NZ 2.64Å; E167-K170 PolarHBondContact OE2-NZ 3.46Å; E167-G171 PolarHBondContact O-N 3.31Å
168	G	96.7	Very high	94.7	Very high	27 Å²	27	44 Å²	44	28%	0.278	20%	0.198	S	C	.	.	H	α-helix	trans	-61.5	-39.8	177.6	0	0	0	0	0	113.5	C166 F172 R206	C166-G168 PolarHBondContact O-N 3.06Å; G168-F172 VanDerWaalsContact O-CB 3.31Å; G168-F172 WeakPolarHBondContact O-CB 3.48Å; G168-F172 PolarHBondContact O-N 3.22Å; G168-R206 PolarHBondContact O-NH2 2.7Å; G168-R206 VanDerWaalsContact O-NH2 3.12Å
169	C	98.2	Very high	95	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-85.4	-38.1	179.2	-72.6	0	0	0	0	112.3	V151 C152 C166 E167 G171 F172 F173 R206	V151-C169 HydrophobicContact CB-CB 4.23Å; V151-C169 HydrophobicContact CG1-CB 4.39Å; V151-C169 HydrophobicContact CG2-CB 4.37Å; C152-C169 PolarHBondContact SG-SG 3.34Å; C166-C169 PolarHBondContact O-N 3.18Å; E167-C169 PolarHBondContact O-N 3.42Å; C169-G171 PolarHBondContact O-N 3.08Å; C169-F172 PolarHBondContact O-N 3.35Å; C169-F173 VanDerWaalsContact O-CB 3.3Å; C169-F173 WeakPolarHBondContact O-CB 3.19Å; C169-F173 PolarHBondContact O-N 3.21Å; C169-R206 PolarHBondContact SG-NH2 3.15Å
170	K	97.5	Very high	95	Very high	48 Å²	48	54.4 Å²	54.4	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-48.5	-54.8	165.2	171.8	-160.5	-165.3	178	0	112	H160 Y161 C166 E167 R174	H160-K170 HydrophobicContact CB-CB 3.84Å; H160-K170 HydrophobicContact CB-CD 4.31Å; H160-K170 HydrophobicContact CB-CG 3.76Å; H160-K170 VanDerWaalsContact CE1-CE 3.49Å; H160-K170 WeakPolarHBondContact CE1-CE 3.2Å; H160-K170 PolarHBondContact CE1-NZ 3.44Å; H160-K170 WeakPolarHBondContact ND1-CD 3.33Å; H160-K170 WeakPolarHBondContact ND1-CE 3.35Å; Y161-K170 HydrophobicContact CE2-CG 4.09Å; C166-K170 PolarHBondContact O-N 3.14Å; E167-K170 VanDerWaalsContact CD-CD 3.5Å; E167-K170 VanDerWaalsContact OE1-CD 3.28Å; E167-K170 WeakPolarHBondContact OE1-CD 3.3Å; E167-K170 IonicContact OE1-NZ 2.96Å; E167-K170 PolarHBondContact OE1-NZ 3.35Å; E167-K170 WeakPolarHBondContact OE2-CD 3.32Å; E167-K170 WeakPolarHBondContact OE2-CE 3.48Å; E167-K170 IonicContact OE2-NZ 2.64Å; E167-K170 PolarHBondContact OE2-NZ 3.46Å; K170-R174 WeakPolarHBondContact O-CB 3.38Å; K170-R174 PolarHBondContact O-N 3.24Å
171	G	97.3	Very high	95.1	Very high	11 Å²	11	56.4 Å²	56.4	11%	0.113	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-34	-178.4	0	0	0	0	0	113.4	E167 C169 R175	E167-G171 PolarHBondContact O-N 3.31Å; C169-G171 PolarHBondContact O-N 3.08Å; G171-R175 WeakPolarHBondContact O-CG 3.44Å; G171-R175 PolarHBondContact O-N 2.83Å; G171-R175 PolarHBondContact O-NE 2.91Å; G171-R175 PolarHBondContact O-NH1 3.07Å
172	F	98	Very high	95	Very high	10 Å²	10	62 Å²	62	4%	0.044	29%	0.285	C	S	.	.	H	α-helix	trans	-67.8	-51.9	173.7	172.1	-102.4	0	0	0	111.9	G168 C169 R174 R175 S176 Y183 Q203 R206 F207	G168-F172 VanDerWaalsContact O-CB 3.31Å; G168-F172 WeakPolarHBondContact O-CB 3.48Å; G168-F172 PolarHBondContact O-N 3.22Å; C169-F172 PolarHBondContact O-N 3.35Å; F172-R174 PolarHBondContact O-N 3.16Å; F172-R175 PolarHBondContact O-N 3.43Å; F172-S176 PolarHBondContact O-N 3.31Å; F172-S176 PolarHBondContact O-OG 2.86Å; F172-Y183 HydrophobicContact CE2-CE2 4.11Å; F172-Y183 HydrophobicContact CZ-CD2 4.48Å; F172-Y183 AromaticContact CZ-CE2 3.72Å; F172-Y183 HydrophobicContact CZ-CE2 3.72Å; F172-Q203 HydrophobicContact CE2-CB 4.39Å; F172-Q203 HydrophobicContact CE2-CG 4.39Å; F172-Q203 HydrophobicContact CZ-CB 4.38Å; F172-Q203 WeakPolarHBondContact CZ-O 3.26Å; F172-R206 HydrophobicContact CD1-CG 3.87Å; F172-R206 HydrophobicContact CE1-CB 3.95Å; F172-R206 HydrophobicContact CE1-CG 3.67Å; F172-R206 HydrophobicContact CZ-CB 4.2Å; F172-R206 HydrophobicContact CZ-CG 4.27Å; F172-F207 HydrophobicContact CE1-CB 3.85Å; F172-F207 HydrophobicContact CE1-CD2 4.19Å; F172-F207 HydrophobicContact CZ-CB 4.04Å
173	F	98.1	Very high	95.3	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-49.4	-179.7	-176.9	-105.4	0	0	0	111.8	Y161 C169 R175 S176 V177 F207 C210 I211 M215 K217 V220	Y161-F173 AromaticContact CD2-CD1 3.74Å; Y161-F173 HydrophobicContact CD2-CD1 3.74Å; Y161-F173 HydrophobicContact CD2-CE1 4.33Å; Y161-F173 HydrophobicContact CE2-CD1 4.31Å; Y161-F173 AromaticContact CG-CD1 3.9Å; Y161-F173 HydrophobicContact CG-CD1 3.9Å; Y161-F173 HydrophobicContact CG-CE1 4.02Å; C169-F173 VanDerWaalsContact O-CB 3.3Å; C169-F173 WeakPolarHBondContact O-CB 3.19Å; C169-F173 PolarHBondContact O-N 3.21Å; F173-R175 PolarHBondContact O-N 3.07Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 2.89Å; F173-S176 VanDerWaalsContact O-N 3.13Å; F173-V177 HydrophobicContact CD1-CG2 4.4Å; F173-V177 HydrophobicContact CD2-CG2 4.31Å; F173-V177 HydrophobicContact CE1-CG2 4.01Å; F173-V177 HydrophobicContact CE2-CG2 3.92Å; F173-V177 HydrophobicContact CZ-CG2 3.76Å; F173-V177 PolarHBondContact O-N 3.17Å; F173-F207 HydrophobicContact CD2-CD2 4.18Å; F173-F207 AromaticContact CD2-CE2 3.7Å; F173-F207 HydrophobicContact CD2-CE2 3.7Å; F173-F207 AromaticContact CE2-CE2 3.82Å; F173-F207 HydrophobicContact CE2-CE2 3.82Å; F173-F207 HydrophobicContact CE2-CZ 4.37Å; F173-C210 HydrophobicContact CD2-CB 3.61Å; F173-C210 HydrophobicContact CE2-CB 4.24Å; F173-C210 HydrophobicContact CG-CB 4.45Å; F173-I211 HydrophobicContact CE2-CD1 3.77Å; F173-I211 HydrophobicContact CE2-CG1 4.45Å; F173-I211 HydrophobicContact CZ-CD1 4.3Å; F173-M215 HydrophobicContact CB-CE 3.52Å; F173-M215 HydrophobicContact CB-SD 3.83Å; F173-M215 HydrophobicContact CD1-CB 4.01Å; F173-M215 HydrophobicContact CD1-CE 3.81Å; F173-M215 HydrophobicContact CD1-SD 4.45Å; F173-M215 HydrophobicContact CD2-CB 3.78Å; F173-M215 HydrophobicContact CD2-CE 4.49Å; F173-M215 HydrophobicContact CD2-SD 4.13Å; F173-M215 HydrophobicContact CE1-CB 3.82Å; F173-M215 HydrophobicContact CE2-CB 3.58Å; F173-M215 HydrophobicContact CG-CB 3.98Å; F173-M215 HydrophobicContact CG-CE 3.69Å; F173-M215 HydrophobicContact CG-SD 3.89Å; F173-M215 HydrophobicContact CZ-CB 3.6Å; F173-M215 WeakPolarHBondContact CZ-O 3.43Å; F173-K217 HydrophobicContact CZ-CB 4.15Å; F173-V220 HydrophobicContact CD1-CG2 3.99Å; F173-V220 HydrophobicContact CE1-CG2 3.68Å
174	R	96.7	Very high	95.6	Very high	108 Å²	108	61 Å²	61	41%	0.408	29%	0.294	S	S	.	.	H	α-helix	trans	-54	-49	177	-169.8	-175.9	78.2	-153.5	2.3	112	Y161 K170 F172 S176 Q178 V220	Y161-R174 HydrophobicContact CE2-CB 4.23Å; Y161-R174 VanDerWaalsContact OH-CD 3.25Å; Y161-R174 WeakPolarHBondContact OH-CD 3.23Å; Y161-R174 WeakPolarHBondContact OH-CG 3.41Å; K170-R174 WeakPolarHBondContact O-CB 3.38Å; K170-R174 PolarHBondContact O-N 3.24Å; F172-R174 PolarHBondContact O-N 3.16Å; R174-S176 VanDerWaalsContact C-N 3.35Å; R174-S176 PolarHBondContact O-N 3.33Å; R174-Q178 HydrophobicContact CG-CG 4.32Å; R174-Q178 WeakPolarHBondContact O-CB 3.49Å; R174-Q178 VanDerWaalsContact O-CG 3.29Å; R174-Q178 WeakPolarHBondContact O-CG 3.41Å; R174-Q178 PolarHBondContact O-N 3.42Å; R174-V220 HydrophobicContact CG-CG1 4.12Å
175	R	95.9	Very high	95.8	Very high	129 Å²	129	61.3 Å²	61.3	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-40.2	178.9	-73.1	-175.9	-59.7	-103.4	1.6	112.3	G171 F172 F173 K179	G171-R175 WeakPolarHBondContact O-CG 3.44Å; G171-R175 PolarHBondContact O-N 2.83Å; G171-R175 PolarHBondContact O-NE 2.91Å; G171-R175 PolarHBondContact O-NH1 3.07Å; F172-R175 PolarHBondContact O-N 3.43Å; F173-R175 PolarHBondContact O-N 3.07Å; R175-K179 WeakPolarHBondContact O-CB 3.08Å; R175-K179 PolarHBondContact O-N 2.9Å; R175-K179 VanDerWaalsContact O-N 3.12Å
176	S	96.9	Very high	95.9	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.007	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-47.1	-179.6	-51.8	0	0	0	0	111.3	F172 F173 R174 K180 L181 Y183 F207	F172-S176 PolarHBondContact O-N 3.31Å; F172-S176 PolarHBondContact O-OG 2.86Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 2.89Å; F173-S176 VanDerWaalsContact O-N 3.13Å; R174-S176 VanDerWaalsContact C-N 3.35Å; R174-S176 PolarHBondContact O-N 3.33Å; S176-K180 PolarHBondContact O-N 3.26Å; S176-L181 PolarHBondContact O-N 2.91Å; S176-Y183 PolarHBondContact OG-OH 3.39Å; S176-F207 VanDerWaalsContact CB-CD2 3.49Å; S176-F207 VanDerWaalsContact CB-CE2 3.43Å
177	V	95.1	Very high	95.7	Very high	32 Å²	32	77.3 Å²	77.3	19%	0.194	37%	0.368	C	S	.	.	H	α-helix	trans	-70.5	-49.9	179	178.8	0	0	0	0	111.7	F173 K179 K180 F207 K217 V220	F173-V177 HydrophobicContact CD1-CG2 4.4Å; F173-V177 HydrophobicContact CD2-CG2 4.31Å; F173-V177 HydrophobicContact CE1-CG2 4.01Å; F173-V177 HydrophobicContact CE2-CG2 3.92Å; F173-V177 HydrophobicContact CZ-CG2 3.76Å; F173-V177 PolarHBondContact O-N 3.17Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.42Å; V177-K180 PolarHBondContact O-N 3.42Å; V177-F207 HydrophobicContact CG2-CE2 4.04Å; V177-F207 HydrophobicContact CG2-CZ 4.11Å; V177-K217 HydrophobicContact CG1-CB 4.23Å; V177-K217 HydrophobicContact CG2-CB 4.12Å; V177-V220 HydrophobicContact CB-CB 4.15Å; V177-V220 HydrophobicContact CB-CG1 4.09Å; V177-V220 HydrophobicContact CB-CG2 4.04Å; V177-V220 HydrophobicContact CG1-CB 3.8Å; V177-V220 HydrophobicContact CG1-CG1 4.02Å; V177-V220 HydrophobicContact CG1-CG2 4.09Å; V177-V220 HydrophobicContact CG2-CG2 4.27Å
178	Q	92	Very high	95.6	Very high	64 Å²	64	80.1 Å²	80.1	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-40.8	-177.6	-71.5	-171.8	-56.9	0	0	113	R174 K180 V220 L221	R174-Q178 HydrophobicContact CG-CG 4.32Å; R174-Q178 WeakPolarHBondContact O-CB 3.49Å; R174-Q178 VanDerWaalsContact O-CG 3.29Å; R174-Q178 WeakPolarHBondContact O-CG 3.41Å; R174-Q178 PolarHBondContact O-N 3.42Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-V220 HydrophobicContact CG-CG1 3.38Å; Q178-L221 PolarHBondContact NE2-O 3.21Å; Q178-L221 VanDerWaalsContact NE2-O 3.16Å
179	K	92.7	Very high	95.3	Very high	155 Å²	155	80.4 Å²	80.4	67%	0.674	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	7.7	177.8	-66.4	-171.1	172.6	-161.9	0	113.6	R175 V177 L181	R175-K179 WeakPolarHBondContact O-CB 3.08Å; R175-K179 PolarHBondContact O-N 2.9Å; R175-K179 VanDerWaalsContact O-N 3.12Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.42Å; K179-L181 HydrophobicContact CB-CD1 4.18Å; K179-L181 HydrophobicContact CB-CD2 3.79Å; K179-L181 HydrophobicContact CB-CG 3.7Å; K179-L181 PolarHBondContact O-N 2.7Å; K179-L181 VanDerWaalsContact O-N 3.16Å
180	K	92.2	Very high	95	Very high	183 Å²	183	89.6 Å²	89.6	80%	0.796	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	41.6	-177.6	-57.8	-179.7	-177.8	177.4	0	112.9	S176 V177 Q178 I182	S176-K180 PolarHBondContact O-N 3.26Å; V177-K180 PolarHBondContact O-N 3.42Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; K180-I182 PolarHBondContact O-N 2.64Å
181	L	94.9	Very high	95	Very high	67 Å²	67	88.6 Å²	88.6	35%	0.351	42%	0.418	S	S	.	.			trans	-72.9	120.8	-172	-61.1	178.7	0	0	0	111.2	S176 K179 Y183	S176-L181 PolarHBondContact O-N 2.91Å; K179-L181 HydrophobicContact CB-CD1 4.18Å; K179-L181 HydrophobicContact CB-CD2 3.79Å; K179-L181 HydrophobicContact CB-CG 3.7Å; K179-L181 PolarHBondContact O-N 2.7Å; K179-L181 VanDerWaalsContact O-N 3.16Å; L181-Y183 HydrophobicContact CB-CE1 4.08Å; L181-Y183 HydrophobicContact CB-CE2 4.21Å; L181-Y183 HydrophobicContact CD1-CE1 4.38Å; L181-Y183 VanDerWaalsContact CD1-OH 3.28Å; L181-Y183 WeakPolarHBondContact CD1-OH 3.34Å
182	I	94.5	Very high	94.8	Very high	165 Å²	165	91.5 Å²	91.5	85%	0.846	44%	0.436	S	S	*	.			trans	-93.7	130.4	171.5	-59.4	171.5	0	0	0	107.9	K180	K180-I182 PolarHBondContact O-N 2.64Å
183	Y	96.5	Very high	94.6	Very high	36 Å²	36	91.6 Å²	91.6	14%	0.141	44%	0.437	C	S	.	.			trans	-117.8	141.3	-179.5	-59.5	-61.5	0	0	0	110.9	F172 S176 L181 Q203 K204 F207	F172-Y183 HydrophobicContact CE2-CE2 4.11Å; F172-Y183 HydrophobicContact CZ-CD2 4.48Å; F172-Y183 AromaticContact CZ-CE2 3.72Å; F172-Y183 HydrophobicContact CZ-CE2 3.72Å; S176-Y183 PolarHBondContact OG-OH 3.39Å; L181-Y183 HydrophobicContact CB-CE1 4.08Å; L181-Y183 HydrophobicContact CB-CE2 4.21Å; L181-Y183 HydrophobicContact CD1-CE1 4.38Å; L181-Y183 VanDerWaalsContact CD1-OH 3.28Å; L181-Y183 WeakPolarHBondContact CD1-OH 3.34Å; Y183-Q203 HydrophobicContact CD1-CB 3.57Å; Y183-Q203 HydrophobicContact CD1-CG 4.49Å; Y183-Q203 HydrophobicContact CD2-CB 4.17Å; Y183-Q203 HydrophobicContact CE1-CB 3.74Å; Y183-Q203 HydrophobicContact CE1-CG 4.31Å; Y183-Q203 HydrophobicContact CE2-CB 4.31Å; Y183-Q203 HydrophobicContact CG-CB 3.79Å; Y183-K204 WeakPolarHBondContact O-CD 3.12Å; Y183-K204 VanDerWaalsContact O-CG 3.26Å; Y183-K204 WeakPolarHBondContact O-CG 3.5Å; Y183-F207 HydrophobicContact CD2-CB 3.89Å; Y183-F207 HydrophobicContact CD2-CG 4.28Å; Y183-F207 HydrophobicContact CE2-CB 4.1Å; Y183-F207 HydrophobicContact CE2-CG 4.32Å
184	T	95.9	Very high	94.2	Very high	129 Å²	129	94.3 Å²	94.3	79%	0.791	46%	0.457	S	S	*	.			trans	-104.3	156.3	170.4	54.7	0	0	0	0	110.8
185	C	97.5	Very high	93.9	Very high	26 Å²	26	92.9 Å²	92.9	18%	0.176	46%	0.457	C	S	.	.			trans	-117.9	125.2	176.6	-179.7	0	0	0	0	109.9	F187 G189 K204	C185-F187 PolarHBondContact O-N 3.45Å; C185-F187 PolarHBondContact SG-N 3.02Å; C185-G189 PolarHBondContact SG-N 3.17Å; C185-K204 HydrophobicContact CB-CB 4.09Å; C185-K204 HydrophobicContact CB-CD 3.86Å
186	K	94.7	Very high	93.7	Very high	197 Å²	197	91.6 Å²	91.6	86%	0.857	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.4	176.6	-61.9	-173.2	178.5	-173.9	0	113.7
187	F	93.6	Very high	93.4	Very high	140 Å²	140	99.6 Å²	99.6	61%	0.614	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	47.7	-173.6	-51	-81.1	0	0	0	111.5	C185 G189 R190 C191	C185-F187 PolarHBondContact O-N 3.45Å; C185-F187 PolarHBondContact SG-N 3.02Å; F187-G189 PolarHBondContact O-N 3.41Å; F187-R190 PolarHBondContact O-N 2.97Å; F187-C191 VanDerWaalsContact CD2-SG 3.6Å
188	Q	92.5	Very high	93.2	Very high	155 Å²	155	100.5 Å²	100.5	72%	0.724	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	29.8	170.7	-60	171.9	-27.2	0	0	115.3	R190	Q188-R190 VanDerWaalsContact C-N 3.26Å; Q188-R190 PolarHBondContact O-N 2.94Å
189	G	91.8	Very high	93.2	Very high	33 Å²	33	98.8 Å²	98.8	34%	0.34	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-1.1	-177.1	0	0	0	0	0	115.5	C185 F187 C191 C205	C185-G189 PolarHBondContact SG-N 3.17Å; F187-G189 PolarHBondContact O-N 3.41Å; G189-C191 PolarHBondContact O-N 3.15Å; G189-C205 PolarHBondContact O-SG 3.47Å
190	R	92	Very high	93.3	Very high	193 Å²	193	96.6 Å²	96.6	73%	0.728	48%	0.482	S	S	*	.			trans	-96.1	21.6	-170.8	-59.4	-172.7	-72.4	131.2	-7.3	115.2	F187 Q188	F187-R190 PolarHBondContact O-N 2.97Å; Q188-R190 VanDerWaalsContact C-N 3.26Å; Q188-R190 PolarHBondContact O-N 2.94Å
191	C	95.4	Very high	93.4	Very high	27 Å²	27	92.5 Å²	92.5	18%	0.182	48%	0.477	C	S	.	.			trans	-74.4	136.5	176.6	-58.4	0	0	0	0	111	F187 G189 C202 C205	F187-C191 VanDerWaalsContact CD2-SG 3.6Å; G189-C191 PolarHBondContact O-N 3.15Å; C191-C202 HydrophobicContact CB-CB 3.61Å; C191-C202 VanDerWaalsContact SG-CB 3.52Å; C191-C205 HydrophobicContact CB-CB 3.94Å; C191-C205 VanDerWaalsContact CB-SG 3.6Å
192	S	93.3	Very high	93.5	Very high	72 Å²	72	89.9 Å²	89.9	50%	0.503	46%	0.464	S	S	.	.			trans	-65.6	147.8	168.9	-165.3	0	0	0	0	111.5	S194	S192-S194 WeakPolarHBondContact OG-CB 3.3Å; S192-S194 PolarHBondContact OG-N 2.68Å; S192-S194 PolarHBondContact OG-OG 2.57Å
193	V	93.8	Very high	93.6	Very high	11 Å²	11	87.2 Å²	87.2	7%	0.067	45%	0.448	C	S	.	.			trans	-128.8	11.3	174.1	-160.1	0	0	0	0	109.6	V151 C152 D195 R199 C205 R206 R209	V151-V193 HydrophobicContact CG1-CG1 4.46Å; C152-V193 WeakPolarHBondContact CA-O 3.49Å; C152-V193 HydrophobicContact CB-CG1 4.37Å; C152-V193 WeakPolarHBondContact CB-O 3.2Å; V193-D195 PolarHBondContact O-N 2.94Å; V193-D195 VanDerWaalsContact O-N 3.08Å; V193-R199 HydrophobicContact CG1-CB 3.79Å; V193-C205 HydrophobicContact CG2-CB 3.89Å; V193-R206 HydrophobicContact CG1-CB 3.88Å; V193-R206 HydrophobicContact CG1-CG 3.81Å; V193-R209 HydrophobicContact CG2-CB 4.41Å
194	S	89.9	Confident	93.7	Very high	58 Å²	58	88.8 Å²	88.8	41%	0.406	46%	0.456	S	S	.	.			trans	-56.4	-29.1	-167.8	40.4	0	0	0	0	114.9	C152 G153 S192	C152-S194 CarbonylContact C-O 3.44Å; G153-S194 PolarHBondContact N-O 3.39Å; S192-S194 WeakPolarHBondContact OG-CB 3.3Å; S192-S194 PolarHBondContact OG-N 2.68Å; S192-S194 PolarHBondContact OG-OG 2.57Å
195	D	90.2	Very high	93.8	Very high	78 Å²	78	82.9 Å²	82.9	42%	0.417	42%	0.42	S	S	.	.	S	Bend	trans	-126.7	150.9	-162.6	-47.9	-80.6	0	0	0	113.9	C152 V193 Q197 N198 R199	C152-D195 CarbonylContact O-C 3.56Å; V193-D195 PolarHBondContact O-N 2.94Å; V193-D195 VanDerWaalsContact O-N 3.08Å; D195-Q197 PolarHBondContact O-N 3.17Å; D195-N198 WeakPolarHBondContact CB-OD1 3.27Å; D195-N198 PolarHBondContact N-OD1 3.17Å; D195-N198 PolarHBondContact O-N 2.77Å; D195-N198 PolarHBondContact O-OD1 3.23Å; D195-N198 PolarHBondContact OD2-ND2 3.22Å; D195-R199 WeakPolarHBondContact O-CB 3.27Å; D195-R199 PolarHBondContact O-N 2.86Å
196	K	92.4	Very high	93.8	Very high	102 Å²	102	82.3 Å²	82.3	44%	0.443	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-35.8	176.9	-171.8	173.6	-163.8	143.7	0	114	C152 D154 R199	C152-K196 PolarHBondContact O-N 3.21Å; D154-K196 HydrophobicContact CB-CB 4.05Å; D154-K196 HydrophobicContact CB-CD 4.4Å; D154-K196 HydrophobicContact CB-CG 4.1Å; D154-K196 WeakPolarHBondContact OD1-CD 3.28Å; D154-K196 WeakPolarHBondContact OD1-CE 3.41Å; D154-K196 IonicContact OD1-NZ 2.71Å; D154-K196 PolarHBondContact OD1-NZ 3.17Å; D154-K196 IonicContact OD2-NZ 2.82Å; K196-R199 WeakPolarHBondContact O-CD 3.38Å; K196-R199 PolarHBondContact O-NE 3.34Å
197	Q	90.9	Very high	94	Very high	168 Å²	168	75 Å²	75	79%	0.785	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-47.3	-177.3	-52.3	-62.4	6.1	0	0	112.5	D195	D195-Q197 PolarHBondContact O-N 3.17Å
198	N	89.7	Confident	94.1	Very high	51 Å²	51	71 Å²	71	27%	0.273	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-88.4	-13.8	-172.6	65.9	21.8	0	0	0	114.6	D195 N200 S201	D195-N198 WeakPolarHBondContact CB-OD1 3.27Å; D195-N198 PolarHBondContact N-OD1 3.17Å; D195-N198 PolarHBondContact O-N 2.77Å; D195-N198 PolarHBondContact O-OD1 3.23Å; D195-N198 PolarHBondContact OD2-ND2 3.22Å; N198-N200 PolarHBondContact O-N 2.71Å; N198-S201 VanDerWaalsContact O-CB 3.28Å; N198-S201 WeakPolarHBondContact O-CB 3.42Å; N198-S201 PolarHBondContact O-N 3.35Å; N198-S201 PolarHBondContact O-OG 3.01Å
199	R	93.1	Very high	94.3	Very high	28 Å²	28	69.9 Å²	69.9	11%	0.106	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-52.8	-17.8	178	66.2	-173.4	173.6	-179.1	-10.1	116.2	C152 D154 C166 V193 D195 K196 R206	C152-R199 HydrophobicContact CB-CB 3.79Å; C152-R199 HydrophobicContact CB-CG 4.45Å; C152-R199 WeakPolarHBondContact SG-CD 3.27Å; C152-R199 PolarHBondContact SG-NH1 2.99Å; D154-R199 IonicContact OD2-CZ 2.68Å; D154-R199 IonicContact OD2-NH1 3.15Å; D154-R199 PolarHBondContact OD2-NH1 3.45Å; D154-R199 IonicContact OD2-NH2 2.72Å; D154-R199 PolarHBondContact OD2-NH2 2.96Å; C166-R199 PolarHBondContact SG-NH1 3.28Å; V193-R199 HydrophobicContact CG1-CB 3.79Å; D195-R199 WeakPolarHBondContact O-CB 3.27Å; D195-R199 PolarHBondContact O-N 2.86Å; K196-R199 WeakPolarHBondContact O-CD 3.38Å; K196-R199 PolarHBondContact O-NE 3.34Å; R199-R206 WeakPolarHBondContact O-CD 3.38Å
200	N	95.1	Very high	94.6	Very high	109 Å²	109	68.3 Å²	68.3	58%	0.583	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-84.6	-16.1	177.5	-68.4	-19.4	0	0	0	113.2	N198 C202 R206	N198-N200 PolarHBondContact O-N 2.71Å; N200-C202 VanDerWaalsContact C-N 3.27Å; N200-C202 PolarHBondContact O-N 2.77Å; N200-R206 PolarHBondContact OD1-NH1 2.82Å
201	S	93.6	Very high	94.9	Very high	98 Å²	98	62.9 Å²	62.9	69%	0.685	33%	0.325	S	S	*	.	S	Bend	trans	-63.6	-25.2	-170.8	-60.9	0	0	0	0	114.7	N198	N198-S201 VanDerWaalsContact O-CB 3.28Å; N198-S201 WeakPolarHBondContact O-CB 3.42Å; N198-S201 PolarHBondContact O-N 3.35Å; N198-S201 PolarHBondContact O-OG 3.01Å
202	C	97.2	Very high	94.9	Very high	12 Å²	12	65.6 Å²	65.6	8%	0.081	34%	0.344	C	S	.	.			trans	-143.6	111.4	170.9	-176	0	0	0	0	111.4	C191 N200 K204 C205 R206	C191-C202 HydrophobicContact CB-CB 3.61Å; C191-C202 VanDerWaalsContact SG-CB 3.52Å; N200-C202 VanDerWaalsContact C-N 3.27Å; N200-C202 PolarHBondContact O-N 2.77Å; C202-K204 VanDerWaalsContact C-N 3.33Å; C202-K204 PolarHBondContact O-N 2.82Å; C202-C205 HydrophobicContact CB-CB 4.05Å; C202-R206 WeakPolarHBondContact O-CB 3.36Å; C202-R206 PolarHBondContact O-N 3.19Å
203	Q	97.3	Very high	94.9	Very high	109 Å²	109	63.2 Å²	63.2	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-35.7	179.6	-66.8	177.2	-18.4	0	0	112.3	F172 Y183 F207	F172-Q203 HydrophobicContact CE2-CB 4.39Å; F172-Q203 HydrophobicContact CE2-CG 4.39Å; F172-Q203 HydrophobicContact CZ-CB 4.38Å; F172-Q203 WeakPolarHBondContact CZ-O 3.26Å; Y183-Q203 HydrophobicContact CD1-CB 3.57Å; Y183-Q203 HydrophobicContact CD1-CG 4.49Å; Y183-Q203 HydrophobicContact CD2-CB 4.17Å; Y183-Q203 HydrophobicContact CE1-CB 3.74Å; Y183-Q203 HydrophobicContact CE1-CG 4.31Å; Y183-Q203 HydrophobicContact CE2-CB 4.31Å; Y183-Q203 HydrophobicContact CG-CB 3.79Å; Q203-F207 WeakPolarHBondContact O-CB 3.3Å; Q203-F207 PolarHBondContact O-N 3.05Å
204	K	97.8	Very high	94.9	Very high	68 Å²	68	64.7 Å²	64.7	30%	0.296	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-58.1	175.4	-166.8	-160.5	-178.2	-58.5	0	111	Y183 C185 C202 R206 F207 D208	Y183-K204 WeakPolarHBondContact O-CD 3.12Å; Y183-K204 VanDerWaalsContact O-CG 3.26Å; Y183-K204 WeakPolarHBondContact O-CG 3.5Å; C185-K204 HydrophobicContact CB-CB 4.09Å; C185-K204 HydrophobicContact CB-CD 3.86Å; C202-K204 VanDerWaalsContact C-N 3.33Å; C202-K204 PolarHBondContact O-N 2.82Å; K204-R206 PolarHBondContact O-N 2.79Å; K204-F207 CarbonylContact O-C 3.58Å; K204-F207 WeakPolarHBondContact O-CA 3.39Å; K204-F207 PolarHBondContact O-N 3.28Å; K204-D208 WeakPolarHBondContact CG-OD2 3.36Å; K204-D208 IonicContact NZ-OD1 3.99Å; K204-D208 PolarHBondContact NZ-OD1 2.99Å; K204-D208 IonicContact NZ-OD2 3.03Å; K204-D208 PolarHBondContact NZ-OD2 3.11Å; K204-D208 PolarHBondContact O-N 3.32Å
205	C	97.8	Very high	95.2	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-57.9	-36.1	-178.6	-60.9	0	0	0	0	111.8	G189 C191 V193 C202 R209	G189-C205 PolarHBondContact O-SG 3.47Å; C191-C205 HydrophobicContact CB-CB 3.94Å; C191-C205 VanDerWaalsContact CB-SG 3.6Å; V193-C205 HydrophobicContact CG2-CB 3.89Å; C202-C205 HydrophobicContact CB-CB 4.05Å; C205-R209 WeakPolarHBondContact O-CB 3.43Å; C205-R209 PolarHBondContact O-N 2.96Å
206	R	98.1	Very high	95.3	Very high	13 Å²	13	59.2 Å²	59.2	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-41.5	172.6	-170.4	-171.3	-171.9	162.7	5.2	112.9	V151 G168 C169 F172 V193 R199 N200 C202 K204 R209 C210	V151-R206 HydrophobicContact CG1-CG 4.29Å; G168-R206 PolarHBondContact O-NH2 2.7Å; G168-R206 VanDerWaalsContact O-NH2 3.12Å; C169-R206 PolarHBondContact SG-NH2 3.15Å; F172-R206 HydrophobicContact CD1-CG 3.87Å; F172-R206 HydrophobicContact CE1-CB 3.95Å; F172-R206 HydrophobicContact CE1-CG 3.67Å; F172-R206 HydrophobicContact CZ-CB 4.2Å; F172-R206 HydrophobicContact CZ-CG 4.27Å; V193-R206 HydrophobicContact CG1-CB 3.88Å; V193-R206 HydrophobicContact CG1-CG 3.81Å; R199-R206 WeakPolarHBondContact O-CD 3.38Å; N200-R206 PolarHBondContact OD1-NH1 2.82Å; C202-R206 WeakPolarHBondContact O-CB 3.36Å; C202-R206 PolarHBondContact O-N 3.19Å; K204-R206 PolarHBondContact O-N 2.79Å; R206-R209 PolarHBondContact O-N 3.01Å; R206-C210 PolarHBondContact O-N 2.89Å; R206-C210 PolarHBondContact O-SG 3.09Å; R206-C210 VanDerWaalsContact O-SG 3.36Å
207	F	98	Very high	95.4	Very high	43 Å²	43	61.2 Å²	61.2	19%	0.189	33%	0.325	C	S	.	.	H	α-helix	trans	-72.1	-41.1	178.8	-171.8	-110.1	0	0	0	112.1	F172 F173 S176 V177 Y183 Q203 K204 R209 C210 I211	F172-F207 HydrophobicContact CE1-CB 3.85Å; F172-F207 HydrophobicContact CE1-CD2 4.19Å; F172-F207 HydrophobicContact CZ-CB 4.04Å; F173-F207 HydrophobicContact CD2-CD2 4.18Å; F173-F207 AromaticContact CD2-CE2 3.7Å; F173-F207 HydrophobicContact CD2-CE2 3.7Å; F173-F207 AromaticContact CE2-CE2 3.82Å; F173-F207 HydrophobicContact CE2-CE2 3.82Å; F173-F207 HydrophobicContact CE2-CZ 4.37Å; S176-F207 VanDerWaalsContact CB-CD2 3.49Å; S176-F207 VanDerWaalsContact CB-CE2 3.43Å; V177-F207 HydrophobicContact CG2-CE2 4.04Å; V177-F207 HydrophobicContact CG2-CZ 4.11Å; Y183-F207 HydrophobicContact CD2-CB 3.89Å; Y183-F207 HydrophobicContact CD2-CG 4.28Å; Y183-F207 HydrophobicContact CE2-CB 4.1Å; Y183-F207 HydrophobicContact CE2-CG 4.32Å; Q203-F207 WeakPolarHBondContact O-CB 3.3Å; Q203-F207 PolarHBondContact O-N 3.05Å; K204-F207 CarbonylContact O-C 3.58Å; K204-F207 WeakPolarHBondContact O-CA 3.39Å; K204-F207 PolarHBondContact O-N 3.28Å; F207-R209 VanDerWaalsContact C-N 3.26Å; F207-R209 PolarHBondContact O-N 2.86Å; F207-C210 WeakPolarHBondContact O-CB 3.24Å; F207-C210 PolarHBondContact O-N 2.95Å; F207-C210 VanDerWaalsContact O-N 3.13Å; F207-I211 HydrophobicContact CE1-CG1 4.21Å; F207-I211 HydrophobicContact CZ-CD1 4.24Å; F207-I211 HydrophobicContact CZ-CG1 4.29Å; F207-I211 WeakPolarHBondContact O-CG1 3.35Å; F207-I211 PolarHBondContact O-N 3.11Å
208	D	97	Very high	95.4	Very high	56 Å²	56	58.2 Å²	58.2	30%	0.299	31%	0.314	S	S	.	.	H	α-helix	trans	-54.3	-46.3	169.5	-57	-28.2	0	0	0	109.9	K204 I211 S212	K204-D208 WeakPolarHBondContact CG-OD2 3.36Å; K204-D208 IonicContact NZ-OD1 3.99Å; K204-D208 PolarHBondContact NZ-OD1 2.99Å; K204-D208 IonicContact NZ-OD2 3.03Å; K204-D208 PolarHBondContact NZ-OD2 3.11Å; K204-D208 PolarHBondContact O-N 3.32Å; D208-I211 PolarHBondContact O-N 2.93Å; D208-S212 PolarHBondContact O-N 2.97Å
209	R	96.6	Very high	95.4	Very high	133 Å²	133	59.4 Å²	59.4	50%	0.502	32%	0.32	S	S	.	.	H	α-helix	trans	-70.7	-26.6	178.3	-165.1	70.7	178.5	-164.8	-1	113.7	V151 V193 C205 R206 F207 G213	V151-R209 HydrophobicContact CG1-CB 4.17Å; V151-R209 HydrophobicContact CG1-CG 4.1Å; V193-R209 HydrophobicContact CG2-CB 4.41Å; C205-R209 WeakPolarHBondContact O-CB 3.43Å; C205-R209 PolarHBondContact O-N 2.96Å; R206-R209 PolarHBondContact O-N 3.01Å; F207-R209 VanDerWaalsContact C-N 3.26Å; F207-R209 PolarHBondContact O-N 2.86Å; R209-G213 PolarHBondContact O-N 3.07Å
210	C	98	Very high	95.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-49.8	166.5	-76.2	0	0	0	0	110.9	F173 R206 F207 G213 G214 M215	F173-C210 HydrophobicContact CD2-CB 3.61Å; F173-C210 HydrophobicContact CE2-CB 4.24Å; F173-C210 HydrophobicContact CG-CB 4.45Å; R206-C210 PolarHBondContact O-N 2.89Å; R206-C210 PolarHBondContact O-SG 3.09Å; R206-C210 VanDerWaalsContact O-SG 3.36Å; F207-C210 WeakPolarHBondContact O-CB 3.24Å; F207-C210 PolarHBondContact O-N 2.95Å; F207-C210 VanDerWaalsContact O-N 3.13Å; C210-G213 PolarHBondContact O-N 3.12Å; C210-G214 PolarHBondContact O-N 3.32Å; C210-M215 HydrophobicContact CB-CB 4.29Å; C210-M215 HydrophobicContact CB-CG 4.21Å; C210-M215 HydrophobicContact CB-SD 3.59Å; C210-M215 VanDerWaalsContact CB-SD 3.59Å; C210-M215 WeakPolarHBondContact O-CB 3.28Å; C210-M215 VanDerWaalsContact O-CG 3.27Å; C210-M215 WeakPolarHBondContact O-CG 3.45Å; C210-M215 PolarHBondContact O-N 3.41Å
211	I	96.8	Very high	94.9	Very high	78 Å²	78	56.9 Å²	56.9	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-49.3	179.7	-64.4	-71.4	0	0	0	110.6	F173 F207 D208 G213 G214	F173-I211 HydrophobicContact CE2-CD1 3.77Å; F173-I211 HydrophobicContact CE2-CG1 4.45Å; F173-I211 HydrophobicContact CZ-CD1 4.3Å; F207-I211 HydrophobicContact CE1-CG1 4.21Å; F207-I211 HydrophobicContact CZ-CD1 4.24Å; F207-I211 HydrophobicContact CZ-CG1 4.29Å; F207-I211 WeakPolarHBondContact O-CG1 3.35Å; F207-I211 PolarHBondContact O-N 3.11Å; D208-I211 PolarHBondContact O-N 2.93Å; I211-G213 PolarHBondContact O-N 2.69Å; I211-G214 PolarHBondContact O-N 3.08Å
212	S	96	Very high	94.5	Very high	85 Å²	85	55 Å²	55	59%	0.594	29%	0.291	S	S	*	.	H	α-helix	trans	-67.3	-23.1	178	82.5	0	0	0	0	113.1	D208 G214	D208-S212 PolarHBondContact O-N 2.97Å; S212-G214 PolarHBondContact O-N 3.02Å
213	G	93	Very high	93.9	Very high	21 Å²	21	58.8 Å²	58.8	22%	0.216	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	6	170.9	0	0	0	0	0	114.2	A163 R209 C210 I211	A163-G213 WeakPolarHBondContact CB-O 3.47Å; R209-G213 PolarHBondContact O-N 3.07Å; C210-G213 PolarHBondContact O-N 3.12Å; I211-G213 PolarHBondContact O-N 2.69Å
214	G	94.1	Very high	93.4	Very high	42 Å²	42	59.7 Å²	59.7	43%	0.433	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	16.8	176.7	0	0	0	0	0	115.2	C210 I211 S212 A216	C210-G214 PolarHBondContact O-N 3.32Å; I211-G214 PolarHBondContact O-N 3.08Å; S212-G214 PolarHBondContact O-N 3.02Å; G214-A216 PolarHBondContact O-N 2.77Å
215	M	96.8	Very high	92.9	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.03	33%	0.326	C	S	.	.			trans	-72.5	111.2	177.2	-63.1	-170.1	83.9	0	0	111.3	V151 Y161 A163 T165 F173 C210 K217	V151-M215 HydrophobicContact CG2-SD 4.17Å; Y161-M215 HydrophobicContact CD2-CE 3.81Å; Y161-M215 CarbonylContact O-C 3Å; Y161-M215 WeakPolarHBondContact O-CA 3.4Å; A163-M215 HydrophobicContact CB-CG 3.5Å; T165-M215 HydrophobicContact CG2-CE 4.33Å; T165-M215 HydrophobicContact CG2-CG 4.49Å; T165-M215 HydrophobicContact CG2-SD 4.05Å; F173-M215 HydrophobicContact CB-CE 3.52Å; F173-M215 HydrophobicContact CB-SD 3.83Å; F173-M215 HydrophobicContact CD1-CB 4.01Å; F173-M215 HydrophobicContact CD1-CE 3.81Å; F173-M215 HydrophobicContact CD1-SD 4.45Å; F173-M215 HydrophobicContact CD2-CB 3.78Å; F173-M215 HydrophobicContact CD2-CE 4.49Å; F173-M215 HydrophobicContact CD2-SD 4.13Å; F173-M215 HydrophobicContact CE1-CB 3.82Å; F173-M215 HydrophobicContact CE2-CB 3.58Å; F173-M215 HydrophobicContact CG-CB 3.98Å; F173-M215 HydrophobicContact CG-CE 3.69Å; F173-M215 HydrophobicContact CG-SD 3.89Å; F173-M215 HydrophobicContact CZ-CB 3.6Å; F173-M215 WeakPolarHBondContact CZ-O 3.43Å; C210-M215 HydrophobicContact CB-CB 4.29Å; C210-M215 HydrophobicContact CB-CG 4.21Å; C210-M215 HydrophobicContact CB-SD 3.59Å; C210-M215 VanDerWaalsContact CB-SD 3.59Å; C210-M215 WeakPolarHBondContact O-CB 3.28Å; C210-M215 VanDerWaalsContact O-CG 3.27Å; C210-M215 WeakPolarHBondContact O-CG 3.45Å; C210-M215 PolarHBondContact O-N 3.41Å; M215-K217 PolarHBondContact O-N 3.21Å
216	A	92.5	Very high	92.3	Very high	15 Å²	15	65.9 Å²	65.9	12%	0.124	34%	0.34	C	S	.	.			trans	-78	111.9	-175.7	0	0	0	0	0	112.1	Y161 R162 G214 D218 L219	Y161-A216 PolarHBondContact O-N 2.85Å; R162-A216 HydrophobicContact CB-CB 4.47Å; R162-A216 HydrophobicContact CG-CB 4.44Å; G214-A216 PolarHBondContact O-N 2.77Å; A216-D218 VanDerWaalsContact C-N 3.33Å; A216-D218 WeakPolarHBondContact CB-OD1 3.21Å; A216-D218 PolarHBondContact O-N 2.96Å; A216-L219 HydrophobicContact CB-CB 4.41Å; A216-L219 HydrophobicContact CB-CD1 3.99Å; A216-L219 HydrophobicContact CB-CG 3.94Å; A216-L219 PolarHBondContact O-N 2.88Å
217	K	93.4	Very high	91.8	Very high	145 Å²	145	68.7 Å²	68.7	63%	0.63	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-66.8	-32.8	-176.5	65.6	-176.5	-179.3	-178.9	0	113.1	F173 V177 M215 L219 V220	F173-K217 HydrophobicContact CZ-CB 4.15Å; V177-K217 HydrophobicContact CG1-CB 4.23Å; V177-K217 HydrophobicContact CG2-CB 4.12Å; M215-K217 PolarHBondContact O-N 3.21Å; K217-L219 VanDerWaalsContact C-N 3.3Å; K217-L219 PolarHBondContact O-N 2.99Å; K217-V220 WeakPolarHBondContact O-CB 3.38Å; K217-V220 PolarHBondContact O-N 3.06Å; K217-V220 VanDerWaalsContact O-N 3.14Å
218	D	91.3	Very high	91.3	Very high	104 Å²	104	69.2 Å²	69.2	56%	0.556	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-63.8	-28.5	176.9	51.1	-69.1	0	0	0	113.5	A216 V220	A216-D218 VanDerWaalsContact C-N 3.33Å; A216-D218 WeakPolarHBondContact CB-OD1 3.21Å; A216-D218 PolarHBondContact O-N 2.96Å; D218-V220 PolarHBondContact O-N 3.2Å
219	L	89.8	Confident	90.8	Very high	77 Å²	77	71.8 Å²	71.8	40%	0.403	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-78.5	-1.5	174.7	-61.7	-172.7	0	0	0	113.4	Y161 R162 A216 K217	Y161-L219 HydrophobicContact CD1-CB 3.92Å; Y161-L219 WeakPolarHBondContact CE1-O 3.23Å; R162-L219 HydrophobicContact CG-CD1 3.72Å; A216-L219 HydrophobicContact CB-CB 4.41Å; A216-L219 HydrophobicContact CB-CD1 3.99Å; A216-L219 HydrophobicContact CB-CG 3.94Å; A216-L219 PolarHBondContact O-N 2.88Å; K217-L219 VanDerWaalsContact C-N 3.3Å; K217-L219 PolarHBondContact O-N 2.99Å
220	V	90.9	Very high	90.5	Very high	11 Å²	11	71.4 Å²	71.4	7%	0.067	38%	0.375	C	S	.	.	S	Bend	trans	-90.5	107.2	171	-176	0	0	0	0	108.5	Y161 F173 R174 V177 Q178 K217 D218 D222	Y161-V220 HydrophobicContact CD1-CG2 3.72Å; Y161-V220 HydrophobicContact CE1-CB 4.37Å; Y161-V220 HydrophobicContact CE1-CG2 3.61Å; Y161-V220 HydrophobicContact CG-CG2 4.38Å; F173-V220 HydrophobicContact CD1-CG2 3.99Å; F173-V220 HydrophobicContact CE1-CG2 3.68Å; R174-V220 HydrophobicContact CG-CG1 4.12Å; V177-V220 HydrophobicContact CB-CB 4.15Å; V177-V220 HydrophobicContact CB-CG1 4.09Å; V177-V220 HydrophobicContact CB-CG2 4.04Å; V177-V220 HydrophobicContact CG1-CB 3.8Å; V177-V220 HydrophobicContact CG1-CG1 4.02Å; V177-V220 HydrophobicContact CG1-CG2 4.09Å; V177-V220 HydrophobicContact CG2-CG2 4.27Å; Q178-V220 HydrophobicContact CG-CG1 3.38Å; K217-V220 WeakPolarHBondContact O-CB 3.38Å; K217-V220 PolarHBondContact O-N 3.06Å; K217-V220 VanDerWaalsContact O-N 3.14Å; D218-V220 PolarHBondContact O-N 3.2Å; V220-D222 PolarHBondContact O-N 3.07Å
221	L	86.6	Confident	90.3	Very high	72 Å²	72	79.1 Å²	79.1	38%	0.377	40%	0.404	S	S	.	.			trans	-54.7	122.7	177	-61.9	176.4	0	0	0	111.2	Q178 K225 K229	Q178-L221 PolarHBondContact NE2-O 3.21Å; Q178-L221 VanDerWaalsContact NE2-O 3.16Å; L221-K225 HydrophobicContact CD2-CB 4.06Å; L221-K229 HydrophobicContact CD1-CD 4.11Å
222	D	85.1	Confident	90	Very high	59 Å²	59	80.5 Å²	80.5	32%	0.316	41%	0.411	S	S	.	.			trans	-61.2	166.5	161.4	51.7	61	0	0	0	111.5	V220 D224 K225 R226	V220-D222 PolarHBondContact O-N 3.07Å; D222-D224 VanDerWaalsContact C-N 3.3Å; D222-D224 PolarHBondContact O-N 3.22Å; D222-K225 VanDerWaalsContact OD1-CB 3.23Å; D222-K225 WeakPolarHBondContact OD1-CB 3.36Å; D222-K225 WeakPolarHBondContact OD1-CG 3.46Å; D222-K225 PolarHBondContact OD1-N 2.82Å; D222-K225 VanDerWaalsContact OD2-CD 3.3Å; D222-K225 WeakPolarHBondContact OD2-CD 3.38Å; D222-K225 WeakPolarHBondContact OD2-CE 3.31Å; D222-K225 IonicContact OD2-NZ 3.76Å; D222-K225 PolarHBondContact OD2-NZ 2.87Å; D222-R226 WeakPolarHBondContact O-CB 3.26Å; D222-R226 PolarHBondContact O-N 3.42Å
223	E	85.6	Confident	89.7	Confident	91 Å²	91	78.6 Å²	78.6	43%	0.425	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-31.5	-174.1	-72.9	-62.7	118.9	0	0	112.8	R226 L227	E223-R226 PolarHBondContact O-N 3.04Å; E223-R226 WeakPolarHBondContact OE1-CD 3.44Å; E223-R226 IonicContact OE1-CZ 3.87Å; E223-R226 IonicContact OE1-NE 3.2Å; E223-R226 PolarHBondContact OE1-NE 2.98Å; E223-R226 IonicContact OE1-NH2 2.67Å; E223-R226 IonicContact OE2-CZ 3.98Å; E223-R226 IonicContact OE2-NE 3.47Å; E223-R226 PolarHBondContact OE2-NE 3.05Å; E223-R226 IonicContact OE2-NH2 2.74Å; E223-R226 PolarHBondContact OE2-NH2 3.43Å; E223-L227 VanDerWaalsContact O-CB 3.25Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 PolarHBondContact O-N 3.09Å
224	D	87.2	Confident	89.7	Confident	128 Å²	128	82.3 Å²	82.3	68%	0.684	41%	0.406	S	S	*	.	H	α-helix	trans	-69.5	-48.3	178.8	-56.8	-60.8	0	0	0	111.5	D222 R226 L227 A228	D222-D224 VanDerWaalsContact C-N 3.3Å; D222-D224 PolarHBondContact O-N 3.22Å; D224-R226 VanDerWaalsContact C-N 3.29Å; D224-R226 PolarHBondContact O-N 3.2Å; D224-L227 PolarHBondContact O-N 2.9Å; D224-A228 WeakPolarHBondContact O-CB 3.38Å; D224-A228 PolarHBondContact O-N 3.05Å
225	K	86	Confident	89.6	Confident	115 Å²	115	83 Å²	83	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-66.2	-32.3	172.7	-66.7	169.3	-166.4	136.7	0	111.6	L221 D222 K229	L221-K225 HydrophobicContact CD2-CB 4.06Å; D222-K225 VanDerWaalsContact OD1-CB 3.23Å; D222-K225 WeakPolarHBondContact OD1-CB 3.36Å; D222-K225 WeakPolarHBondContact OD1-CG 3.46Å; D222-K225 PolarHBondContact OD1-N 2.82Å; D222-K225 VanDerWaalsContact OD2-CD 3.3Å; D222-K225 WeakPolarHBondContact OD2-CD 3.38Å; D222-K225 WeakPolarHBondContact OD2-CE 3.31Å; D222-K225 IonicContact OD2-NZ 3.76Å; D222-K225 PolarHBondContact OD2-NZ 2.87Å; K225-K229 VanDerWaalsContact O-CB 3.23Å; K225-K229 WeakPolarHBondContact O-CB 3.34Å; K225-K229 PolarHBondContact O-N 2.87Å
226	R	84.7	Confident	89.3	Confident	90 Å²	90	85.6 Å²	85.6	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-39.7	173.7	-166.4	-178.2	75.2	71.8	1.3	111.6	D222 E223 D224 R230	D222-R226 WeakPolarHBondContact O-CB 3.26Å; D222-R226 PolarHBondContact O-N 3.42Å; E223-R226 PolarHBondContact O-N 3.04Å; E223-R226 WeakPolarHBondContact OE1-CD 3.44Å; E223-R226 IonicContact OE1-CZ 3.87Å; E223-R226 IonicContact OE1-NE 3.2Å; E223-R226 PolarHBondContact OE1-NE 2.98Å; E223-R226 IonicContact OE1-NH2 2.67Å; E223-R226 IonicContact OE2-CZ 3.98Å; E223-R226 IonicContact OE2-NE 3.47Å; E223-R226 PolarHBondContact OE2-NE 3.05Å; E223-R226 IonicContact OE2-NH2 2.74Å; E223-R226 PolarHBondContact OE2-NH2 3.43Å; D224-R226 VanDerWaalsContact C-N 3.29Å; D224-R226 PolarHBondContact O-N 3.2Å; R226-R230 WeakPolarHBondContact O-CB 3.49Å; R226-R230 PolarHBondContact O-N 3.04Å
227	L	89.5	Confident	89.3	Confident	71 Å²	71	88.9 Å²	88.9	37%	0.372	43%	0.431	S	S	.	.	H	α-helix	trans	-72.5	-42.6	176.4	-176.1	61	0	0	0	111.6	E223 D224 R230 R231	E223-L227 VanDerWaalsContact O-CB 3.25Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 PolarHBondContact O-N 3.09Å; D224-L227 PolarHBondContact O-N 2.9Å; L227-R230 WeakPolarHBondContact O-CB 3.25Å; L227-R230 PolarHBondContact O-N 2.83Å; L227-R231 WeakPolarHBondContact O-CG 3.4Å; L227-R231 PolarHBondContact O-N 3.27Å
228	A	87.4	Confident	89.3	Confident	54 Å²	54	84.5 Å²	84.5	45%	0.446	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-45.4	173.5	0	0	0	0	0	111.6	D224 R230 R231 L232	D224-A228 WeakPolarHBondContact O-CB 3.38Å; D224-A228 PolarHBondContact O-N 3.05Å; A228-R230 VanDerWaalsContact C-N 3.32Å; A228-R230 PolarHBondContact O-N 3.44Å; A228-R231 PolarHBondContact O-N 3.23Å; A228-L232 WeakPolarHBondContact O-CB 3.48Å; A228-L232 PolarHBondContact O-N 2.6Å
229	K	85.5	Confident	89.3	Confident	111 Å²	111	85.9 Å²	85.9	48%	0.483	42%	0.419	S	S	.	.	H	α-helix	trans	-62.1	-38.1	174.1	-177.9	165.7	-176.3	163.6	0	112.3	L221 K225 I233	L221-K229 HydrophobicContact CD1-CD 4.11Å; K225-K229 VanDerWaalsContact O-CB 3.23Å; K225-K229 WeakPolarHBondContact O-CB 3.34Å; K225-K229 PolarHBondContact O-N 2.87Å; K229-I233 HydrophobicContact CG-CD1 4Å; K229-I233 WeakPolarHBondContact O-CD1 3.31Å; K229-I233 VanDerWaalsContact O-CG1 3.27Å; K229-I233 WeakPolarHBondContact O-CG1 3.38Å; K229-I233 PolarHBondContact O-N 3.29Å
230	R	91.4	Very high	89.3	Confident	125 Å²	125	89 Å²	89	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-52.4	173.8	173.4	176.7	-72.9	-174.1	-7.3	111.2	R226 L227 A228 L232 I233 E234	R226-R230 WeakPolarHBondContact O-CB 3.49Å; R226-R230 PolarHBondContact O-N 3.04Å; L227-R230 WeakPolarHBondContact O-CB 3.25Å; L227-R230 PolarHBondContact O-N 2.83Å; A228-R230 VanDerWaalsContact C-N 3.32Å; A228-R230 PolarHBondContact O-N 3.44Å; R230-L232 VanDerWaalsContact C-N 3.29Å; R230-L232 PolarHBondContact O-N 3.45Å; R230-I233 PolarHBondContact O-N 3.27Å; R230-E234 WeakPolarHBondContact CD-OE1 3.46Å; R230-E234 VanDerWaalsContact CG-CD 3.42Å; R230-E234 HydrophobicContact CG-CG 4.49Å; R230-E234 WeakPolarHBondContact CG-OE1 3.43Å; R230-E234 WeakPolarHBondContact CG-OE2 3.42Å; R230-E234 WeakPolarHBondContact O-CG 3.21Å; R230-E234 PolarHBondContact O-N 3.22Å
231	R	93.7	Very high	89.4	Confident	161 Å²	161	95.6 Å²	95.6	61%	0.608	45%	0.453	S	S	*	.	H	α-helix	trans	-55.1	-42	175.9	-72.3	172.3	175.7	168.6	-1.1	112	L227 A228 E234 A235	L227-R231 WeakPolarHBondContact O-CG 3.4Å; L227-R231 PolarHBondContact O-N 3.27Å; A228-R231 PolarHBondContact O-N 3.23Å; R231-E234 PolarHBondContact O-N 2.78Å; R231-A235 VanDerWaalsContact O-CB 3.28Å; R231-A235 WeakPolarHBondContact O-CB 3.38Å; R231-A235 PolarHBondContact O-N 3.1Å
232	L	89.3	Confident	89.5	Confident	108 Å²	108	94.7 Å²	94.7	57%	0.565	46%	0.456	S	S	*	.	H	α-helix	trans	-65.8	-38	176.8	-177.8	62.4	0	0	0	112.8	A228 R230 N236	A228-L232 WeakPolarHBondContact O-CB 3.48Å; A228-L232 PolarHBondContact O-N 2.6Å; R230-L232 VanDerWaalsContact C-N 3.29Å; R230-L232 PolarHBondContact O-N 3.45Å; L232-N236 WeakPolarHBondContact CD1-ND2 3.27Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 3.35Å; L232-N236 PolarHBondContact O-ND2 2.66Å
233	I	89.5	Confident	89.6	Confident	44 Å²	44	95.8 Å²	95.8	23%	0.226	46%	0.46	C	S	.	.	H	α-helix	trans	-68.3	-40.9	174.7	-70.4	163.1	0	0	0	110.6	K229 R230 R237 Y331	K229-I233 HydrophobicContact CG-CD1 4Å; K229-I233 WeakPolarHBondContact O-CD1 3.31Å; K229-I233 VanDerWaalsContact O-CG1 3.27Å; K229-I233 WeakPolarHBondContact O-CG1 3.38Å; K229-I233 PolarHBondContact O-N 3.29Å; R230-I233 PolarHBondContact O-N 3.27Å; I233-R237 WeakPolarHBondContact O-CB 3.13Å; I233-R237 VanDerWaalsContact O-CG 3.3Å; I233-R237 WeakPolarHBondContact O-CG 3.46Å; I233-R237 PolarHBondContact O-N 3.4Å; I233-Y331 HydrophobicContact CD1-CE1 3.89Å
234	E	93.1	Very high	89.6	Confident	99 Å²	99	94.5 Å²	94.5	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-43.9	177.5	-73.9	156.4	-177.4	0	0	111.6	R230 R231 R237 A238	R230-E234 WeakPolarHBondContact CD-OE1 3.46Å; R230-E234 VanDerWaalsContact CG-CD 3.42Å; R230-E234 HydrophobicContact CG-CG 4.49Å; R230-E234 WeakPolarHBondContact CG-OE1 3.43Å; R230-E234 WeakPolarHBondContact CG-OE2 3.42Å; R230-E234 WeakPolarHBondContact O-CG 3.21Å; R230-E234 PolarHBondContact O-N 3.22Å; R231-E234 PolarHBondContact O-N 2.78Å; E234-R237 PolarHBondContact O-N 3.15Å; E234-A238 PolarHBondContact O-N 3.04Å
235	A	92.3	Very high	89.7	Confident	57 Å²	57	93.7 Å²	93.7	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-43.5	175	0	0	0	0	0	112.8	R231 R237 A238 R239	R231-A235 VanDerWaalsContact O-CB 3.28Å; R231-A235 WeakPolarHBondContact O-CB 3.38Å; R231-A235 PolarHBondContact O-N 3.1Å; A235-R237 VanDerWaalsContact C-N 3.31Å; A235-R237 PolarHBondContact O-N 3.11Å; A235-A238 PolarHBondContact O-N 3.15Å; A235-R239 PolarHBondContact O-N 3.41Å
236	N	90.2	Very high	89.6	Confident	61 Å²	61	95 Å²	95	33%	0.326	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-33	174.9	-80.1	-68.4	0	0	0	112.3	L232 R239 K240	L232-N236 WeakPolarHBondContact CD1-ND2 3.27Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 3.35Å; L232-N236 PolarHBondContact O-ND2 2.66Å; N236-R239 PolarHBondContact OD1-NH1 3.35Å; N236-K240 WeakPolarHBondContact O-CB 3.39Å; N236-K240 WeakPolarHBondContact O-CG 3.45Å; N236-K240 PolarHBondContact O-N 2.99Å
237	R	93.8	Very high	89.3	Confident	83 Å²	83	93.6 Å²	93.6	31%	0.313	48%	0.475	S	S	.	.	H	α-helix	trans	-68.7	-36.6	171.6	-79.4	172.1	162.9	178.2	-5.9	112.4	I233 E234 A235 R241	I233-R237 WeakPolarHBondContact O-CB 3.13Å; I233-R237 VanDerWaalsContact O-CG 3.3Å; I233-R237 WeakPolarHBondContact O-CG 3.46Å; I233-R237 PolarHBondContact O-N 3.4Å; E234-R237 PolarHBondContact O-N 3.15Å; A235-R237 VanDerWaalsContact C-N 3.31Å; A235-R237 PolarHBondContact O-N 3.11Å; R237-R241 WeakPolarHBondContact O-CG 3.49Å; R237-R241 PolarHBondContact O-N 3.01Å
238	A	92.9	Very high	88.8	Confident	54 Å²	54	93.5 Å²	93.5	45%	0.446	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-48.7	173.5	0	0	0	0	0	111.1	E234 A235 K240 R241 A242	E234-A238 PolarHBondContact O-N 3.04Å; A235-A238 PolarHBondContact O-N 3.15Å; A238-K240 PolarHBondContact O-N 3.16Å; A238-R241 WeakPolarHBondContact O-CB 3.45Å; A238-R241 PolarHBondContact O-N 2.83Å; A238-A242 PolarHBondContact O-N 3.28Å
239	R	91	Very high	88.2	Confident	132 Å²	132	95 Å²	95	50%	0.498	48%	0.483	S	S	.	.	H	α-helix	trans	-60.1	-44.6	178.6	-155.5	-175.9	71.4	-115.8	-12.9	111.9	A235 N236 R241 A242 E243	A235-R239 PolarHBondContact O-N 3.41Å; N236-R239 PolarHBondContact OD1-NH1 3.35Å; R239-R241 PolarHBondContact O-N 3.28Å; R239-A242 WeakPolarHBondContact O-CB 3.3Å; R239-A242 PolarHBondContact O-N 2.96Å; R239-E243 HydrophobicContact CG-CG 4.38Å; R239-E243 WeakPolarHBondContact CG-OE1 3.4Å; R239-E243 IonicContact CZ-OE1 2.77Å; R239-E243 IonicContact NE-OE1 2.64Å; R239-E243 PolarHBondContact NE-OE1 3.14Å; R239-E243 IonicContact NH2-OE1 3.77Å; R239-E243 PolarHBondContact NH2-OE1 3.13Å; R239-E243 WeakPolarHBondContact O-CB 3.42Å; R239-E243 VanDerWaalsContact O-CG 3.25Å; R239-E243 WeakPolarHBondContact O-CG 3.44Å; R239-E243 PolarHBondContact O-N 3.37Å
240	K	89.6	Confident	87.2	Confident	143 Å²	143	92.7 Å²	92.7	62%	0.622	49%	0.486	S	S	*	.	H	α-helix	trans	-59.2	-28.2	174.3	-79	-167	171.3	-158.8	0	114.9	N236 A238 E243 A244	N236-K240 WeakPolarHBondContact O-CB 3.39Å; N236-K240 WeakPolarHBondContact O-CG 3.45Å; N236-K240 PolarHBondContact O-N 2.99Å; A238-K240 PolarHBondContact O-N 3.16Å; K240-E243 WeakPolarHBondContact CA-OE2 3.45Å; K240-A244 WeakPolarHBondContact O-CB 3.4Å; K240-A244 PolarHBondContact O-N 3.28Å
241	R	92.4	Very high	85.7	Confident	149 Å²	149	91.9 Å²	91.9	56%	0.562	49%	0.494	S	S	*	.	H	α-helix	trans	-78	-38.8	173.9	-68.8	168.1	-169.6	152.4	0.4	111.5	R237 A238 R239 A244 I245	R237-R241 WeakPolarHBondContact O-CG 3.49Å; R237-R241 PolarHBondContact O-N 3.01Å; A238-R241 WeakPolarHBondContact O-CB 3.45Å; A238-R241 PolarHBondContact O-N 2.83Å; R239-R241 PolarHBondContact O-N 3.28Å; R241-A244 PolarHBondContact O-N 3.34Å; R241-I245 WeakPolarHBondContact O-CD1 3.33Å; R241-I245 VanDerWaalsContact O-CG1 3.26Å; R241-I245 WeakPolarHBondContact O-CG1 3.36Å; R241-I245 PolarHBondContact O-N 2.86Å
242	A	89.8	Confident	84	Confident	54 Å²	54	93.8 Å²	93.8	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-50.1	172.9	0	0	0	0	0	111.3	A238 R239 A244 I245 E246	A238-A242 PolarHBondContact O-N 3.28Å; R239-A242 WeakPolarHBondContact O-CB 3.3Å; R239-A242 PolarHBondContact O-N 2.96Å; A242-A244 VanDerWaalsContact C-N 3.27Å; A242-A244 PolarHBondContact O-N 2.95Å; A242-I245 PolarHBondContact O-N 3.01Å; A242-E246 WeakPolarHBondContact O-CB 3.39Å; A242-E246 PolarHBondContact O-N 3.13Å
243	E	86.3	Confident	82.4	Confident	82 Å²	82	94.4 Å²	94.4	38%	0.383	51%	0.51	S	S	.	.	H	α-helix	trans	-51.3	-43.8	173.8	-70.7	163.3	-174.5	0	0	111.5	R239 K240 A247	R239-E243 HydrophobicContact CG-CG 4.38Å; R239-E243 WeakPolarHBondContact CG-OE1 3.4Å; R239-E243 IonicContact CZ-OE1 2.77Å; R239-E243 IonicContact NE-OE1 2.64Å; R239-E243 PolarHBondContact NE-OE1 3.14Å; R239-E243 IonicContact NH2-OE1 3.77Å; R239-E243 PolarHBondContact NH2-OE1 3.13Å; R239-E243 WeakPolarHBondContact O-CB 3.42Å; R239-E243 VanDerWaalsContact O-CG 3.25Å; R239-E243 WeakPolarHBondContact O-CG 3.44Å; R239-E243 PolarHBondContact O-N 3.37Å; K240-E243 WeakPolarHBondContact CA-OE2 3.45Å; E243-A247 VanDerWaalsContact O-CB 3.23Å; E243-A247 WeakPolarHBondContact O-CB 3.46Å; E243-A247 PolarHBondContact O-N 3.47Å
244	A	86.1	Confident	80.5	Confident	64 Å²	64	98.2 Å²	98.2	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-71.1	-32.3	178.5	0	0	0	0	0	113.9	K240 R241 A242 S248	K240-A244 WeakPolarHBondContact O-CB 3.4Å; K240-A244 PolarHBondContact O-N 3.28Å; R241-A244 PolarHBondContact O-N 3.34Å; A242-A244 VanDerWaalsContact C-N 3.27Å; A242-A244 PolarHBondContact O-N 2.95Å; A244-S248 PolarHBondContact O-N 3.19Å
245	I	89.4	Confident	78.1	Confident	110 Å²	110	98.9 Å²	98.9	56%	0.564	54%	0.543	S	S	*	.	H	α-helix	trans	-72.2	-49.2	174.8	-68.7	162.7	0	0	0	109.6	R241 A242 A247 S248 T249	R241-I245 WeakPolarHBondContact O-CD1 3.33Å; R241-I245 VanDerWaalsContact O-CG1 3.26Å; R241-I245 WeakPolarHBondContact O-CG1 3.36Å; R241-I245 PolarHBondContact O-N 2.86Å; A242-I245 PolarHBondContact O-N 3.01Å; I245-A247 PolarHBondContact O-N 3.03Å; I245-S248 WeakPolarHBondContact O-CA 3.42Å; I245-S248 WeakPolarHBondContact O-CB 3.07Å; I245-S248 PolarHBondContact O-N 2.95Å; I245-S248 PolarHBondContact O-OG 3Å; I245-T249 PolarHBondContact O-N 3.33Å; I245-T249 PolarHBondContact O-OG1 2.95Å
246	E	82.8	Confident	75.7	Confident	142 Å²	142	102.5 Å²	102.5	66%	0.664	56%	0.562	S	S	*	*	H	α-helix	trans	-60.5	-43.2	-179.8	-172.8	169.4	-156.6	0	0	111.9	A242 S248 T249 A250	A242-E246 WeakPolarHBondContact O-CB 3.39Å; A242-E246 PolarHBondContact O-N 3.13Å; E246-S248 PolarHBondContact O-N 3.33Å; E246-T249 PolarHBondContact O-N 3.28Å; E246-T249 VanDerWaalsContact O-N 3.08Å; E246-A250 PolarHBondContact O-N 3.43Å
247	A	79.3	Confident	73.7	Confident	62 Å²	62	103.9 Å²	103.9	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-61.1	-29.8	172.5	0	0	0	0	0	113.3	E243 I245	E243-A247 VanDerWaalsContact O-CB 3.23Å; E243-A247 WeakPolarHBondContact O-CB 3.46Å; E243-A247 PolarHBondContact O-N 3.47Å; I245-A247 PolarHBondContact O-N 3.03Å
248	S	79.2	Confident	71.4	Confident	69 Å²	69	107.7 Å²	107.7	48%	0.483	60%	0.601	S	S	.	*	H	α-helix	trans	-78.3	-26.1	174.4	77.7	0	0	0	0	113.3	A244 I245 E246	A244-S248 PolarHBondContact O-N 3.19Å; I245-S248 WeakPolarHBondContact O-CA 3.42Å; I245-S248 WeakPolarHBondContact O-CB 3.07Å; I245-S248 PolarHBondContact O-N 2.95Å; I245-S248 PolarHBondContact O-OG 3Å; E246-S248 PolarHBondContact O-N 3.33Å
249	T	75.6	Confident	69	Low	84 Å²	84	111.7 Å²	111.7	52%	0.515	62%	0.615	S	S	.	*	H	α-helix	trans	-79.4	-39.8	176.5	-52.1	0	0	0	0	112.1	I245 E246 V251 Y252	I245-T249 PolarHBondContact O-N 3.33Å; I245-T249 PolarHBondContact O-OG1 2.95Å; E246-T249 PolarHBondContact O-N 3.28Å; E246-T249 VanDerWaalsContact O-N 3.08Å; T249-V251 PolarHBondContact O-N 3.08Å; T249-V251 VanDerWaalsContact O-N 3.12Å; T249-Y252 PolarHBondContact O-N 3.38Å; T249-Y252 VanDerWaalsContact O-N 3.17Å
250	A	63.7	Low	66.5	Low	64 Å²	64	112.2 Å²	112.2	53%	0.529	63%	0.626	S	S	.	*	H	α-helix	trans	-59.8	-25.5	-175.6	0	0	0	0	0	114.5	E246 Y252	E246-A250 PolarHBondContact O-N 3.43Å; A250-Y252 PolarHBondContact O-N 3.09Å
251	V	59.6	Low	64.1	Low	107 Å²	107	111.1 Å²	111.1	65%	0.648	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-18.4	179.8	-179.8	0	0	0	0	113.1	T249	T249-V251 PolarHBondContact O-N 3.08Å; T249-V251 VanDerWaalsContact O-N 3.12Å
252	Y	58.2	Low	61.4	Low	202 Å²	202	111.2 Å²	111.2	79%	0.792	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	6.3	-173.7	-71.1	-80.9	0	0	0	115.4	T249 A250	T249-Y252 PolarHBondContact O-N 3.38Å; T249-Y252 VanDerWaalsContact O-N 3.17Å; A250-Y252 PolarHBondContact O-N 3.09Å
253	V	55.3	Low	59	Low	120 Å²	120	116.8 Å²	116.8	73%	0.727	67%	0.666	S	S	*	*			trans	-121.2	44.1	-171.4	-158.9	0	0	0	0	112.9
254	T	49.5	Very low	56.6	Low	125 Å²	125	118.9 Å²	118.9	77%	0.767	68%	0.684	S	S	*	*	S	Bend	trans	-139	34.3	176.1	64.8	0	0	0	0	115.7
255	D	44	Very low	54.1	Low	112 Å²	112	123.1 Å²	123.1	60%	0.599	70%	0.698	S	S	*	*			trans	-157	110	153.1	-162	-30.2	0	0	0	112.1	S257	D255-S257 PolarHBondContact OD1-N 3.24Å; D255-S257 PolarHBondContact OD1-OG 3.17Å
256	P	40.2	Very low	51.4	Low	134 Å²	134	122.3 Å²	122.3	87%	0.87	70%	0.7	S	S	*	*			trans	-103.2	38.2	174.2	39	-32.7	0	0	0	113.3
257	S	48.4	Very low	49.3	Very low	90 Å²	90	122.7 Å²	122.7	63%	0.629	71%	0.707	S	S	*	*			trans	-147.9	57.6	-171.6	56.4	0	0	0	0	118.7	D255	D255-S257 PolarHBondContact OD1-N 3.24Å; D255-S257 PolarHBondContact OD1-OG 3.17Å
258	I	47	Very low	47.3	Very low	162 Å²	162	125.3 Å²	125.3	83%	0.831	72%	0.721	S	S	*	*			trans	-142.5	143.7	160	-98.9	141.5	0	0	0	112.2
259	N	41.5	Very low	45.2	Very low	139 Å²	139	128.1 Å²	128.1	74%	0.743	74%	0.735	S	S	*	*			trans	-90.2	135.1	-174.7	-89	-52.2	0	0	0	113.9
260	I	39.5	Very low	43.3	Very low	143 Å²	143	129 Å²	129	73%	0.733	75%	0.745	S	S	*	*				30.6	118.4	116.7	-61.6	175.4	0	0	0	114.7
261	P	38.2	Very low	42.2	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	75%	0.752	S	S	*	*				-140.5	152.3	77.6	36.1	-19.9	0	0	0	118.2
262	N	35.7	Very low	40.9	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	76%	0.764	S	S	*	*			trans	-62.1	138.4	168.6	-68.9	-37.6	0	0	0	111.8
263	I	39.7	Very low	39.9	Very low	171 Å²	171	136 Å²	136	88%	0.877	76%	0.756	S	S	*	*			trans	-125.9	123.5	149.6	-65.1	-177	0	0	0	108.1
264	T	35.4	Very low	38.8	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	76%	0.755	S	S	*	*			trans	-95.1	121.1	-176.1	48.7	0	0	0	0	111.6
265	N	33.8	Very low	38.1	Very low	154 Å²	154	137.8 Å²	137.8	82%	0.824	75%	0.754	S	S	*	*			trans	-162.1	122.4	147.7	-150.6	10.1	0	0	0	113.5
266	P	33.8	Very low	37.6	Very low	92 Å²	92	139.6 Å²	139.6	60%	0.597	76%	0.758	S	S	*	*			trans	-90.3	172	163.8	35.5	-32.1	0	0	0	112.4
267	N	37	Very low	37.3	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	75%	0.75	S	S	*	*			trans	83.2	77.7	167.9	-50	-41.9	0	0	0	119.4
268	S	38	Very low	36.6	Very low	117 Å²	117	142.8 Å²	142.8	82%	0.818	76%	0.756	S	S	*	*			trans	-155.3	94.9	147.8	47.5	0	0	0	0	109.4
269	V	34.7	Very low	35.9	Very low	128 Å²	128	140.7 Å²	140.7	78%	0.776	75%	0.752	S	S	*	*				72.3	108.9	72.5	179.4	0	0	0	0	114
270	S	36.4	Very low	35.4	Very low	103 Å²	103	140.8 Å²	140.8	72%	0.72	75%	0.752	S	S	*	*			trans	68.9	127.2	158.8	-67	0	0	0	0	118.7
271	K	39.4	Very low	34.9	Very low	157 Å²	157	140.1 Å²	140.1	68%	0.683	76%	0.759	S	S	*	*				87.3	108.7	52.2	-91.1	-175.6	169.7	176.9	0	114.8
272	Y	33.7	Very low	34.7	Very low	230 Å²	230	139.9 Å²	139.9	90%	0.902	76%	0.756	S	S	*	*			trans	-132.6	110.6	136.1	-69.9	-83.7	0	0	0	105.6
273	H	37.4	Very low	34.4	Very low	132 Å²	132	137.2 Å²	137.2	61%	0.611	75%	0.749	S	S	*	*				67	133.2	70.7	-73.7	-87.2	0	0	0	112
274	I	32.2	Very low	34.1	Very low	137 Å²	137	135.7 Å²	135.7	70%	0.703	74%	0.743	S	S	*	*			cis	-152.3	159.2	5.4	-114.7	158.4	0	0	0	106.6
275	I	34	Very low	33.9	Very low	146 Å²	146	134.8 Å²	134.8	75%	0.749	74%	0.737	S	S	*	*			cis	-142.9	142.8	42	-32.2	157	0	0	0	107.1
276	H	33.4	Very low	34	Very low	149 Å²	149	135.2 Å²	135.2	69%	0.69	74%	0.738	S	S	*	*				37	139	86	-78.8	-95	0	0	0	116.5
277	N	34.7	Very low	33.9	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	74%	0.74	S	S	*	*			cis	-135.9	141.6	8.4	-85.8	-45.5	0	0	0	110.1
278	Q	34	Very low	33.8	Very low	160 Å²	160	132.4 Å²	132.4	75%	0.748	73%	0.732	S	S	*	*				62.6	114.7	74.3	-81	-82	-17.8	0	0	114.4
279	P	31.4	Very low	33.7	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	73%	0.732	S	S	*	*			trans	-102.3	130.3	-176.4	36.6	-30.5	0	0	0	114.4
280	I	31.9	Very low	33.8	Very low	142 Å²	142	132.8 Å²	132.8	73%	0.728	73%	0.732	S	S	*	*			trans	-143.6	128.2	164.6	-55.3	179.3	0	0	0	109	T282	I280-T282 HydrophobicContact CG2-CG2 4.14Å
281	S	28.9	Very low	33.7	Very low	128 Å²	128	134.1 Å²	134.1	90%	0.895	74%	0.736	S	S	*	*			trans	-140.6	85.2	171.9	-68.6	0	0	0	0	110.8
282	T	33.9	Very low	33.4	Very low	115 Å²	115	133.1 Å²	133.1	71%	0.706	74%	0.736	S	S	*	*			trans	-93.8	99.9	178.9	48	0	0	0	0	112.4	I280	I280-T282 HydrophobicContact CG2-CG2 4.14Å
283	S	29.7	Very low	33.1	Very low	94 Å²	94	130.3 Å²	130.3	66%	0.657	73%	0.734	S	S	*	*			trans	61.3	158.3	144.7	58	0	0	0	0	121.3
284	N	33	Very low	32.8	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	73%	0.733	S	S	*	*			trans	76.4	138.4	164.5	-53.8	-22.7	0	0	0	116.6
285	T	31.3	Very low	32.9	Very low	107 Å²	107	127 Å²	127	66%	0.656	73%	0.733	S	S	*	*			cis	-168.3	159.8	-10.8	16.3	0	0	0	0	109.2
286	I	35.1	Very low	32.7	Very low	162 Å²	162	127.3 Å²	127.3	83%	0.831	74%	0.735	S	S	*	*			trans	68.1	142.6	152.9	-70.4	159.9	0	0	0	115.9
287	S	31.8	Very low	32.8	Very low	92 Å²	92	125 Å²	125	64%	0.643	73%	0.733	S	S	*	*			cis	-169.9	165.3	-17.8	176.3	0	0	0	0	109.2
288	S	34.9	Very low	32.4	Very low	92 Å²	92	129.1 Å²	129.1	64%	0.643	74%	0.74	S	S	*	*			trans	39.8	141.9	146.2	56.1	0	0	0	0	122.7
289	T	35.5	Very low	32.3	Very low	133 Å²	133	129.8 Å²	129.8	82%	0.816	74%	0.743	S	S	*	*			cis	-170.7	159.2	-11.5	17.5	0	0	0	0	107.8
290	P	37	Very low	32.2	Very low	121 Å²	121	127.9 Å²	127.9	79%	0.786	73%	0.732	S	S	*	*			trans	-98.6	159.6	-177.2	38.4	-35.1	0	0	0	115
291	V	34.8	Very low	32	Very low	131 Å²	131	127.2 Å²	127.2	79%	0.794	74%	0.735	S	S	*	*			trans	-171.9	111.6	162.4	128.2	0	0	0	0	108.6
292	I	33	Very low	31.9	Very low	135 Å²	135	127.8 Å²	127.8	69%	0.692	73%	0.727	S	S	*	*				92.6	125	96.6	-76.7	-179	0	0	0	116
293	M	27.8	Very low	31.7	Very low	171 Å²	171	130 Å²	130	84%	0.842	73%	0.729	S	S	*	*			trans	55.3	155.8	155	-73.9	162	61	0	0	119.6
294	S	30.2	Very low	31.7	Very low	87 Å²	87	130 Å²	130	61%	0.608	73%	0.728	S	S	*	*			cis	-165	175.4	8.7	26	0	0	0	0	112.3
295	T	33.6	Very low	31.5	Very low	113 Å²	113	129.6 Å²	129.6	69%	0.693	73%	0.727	S	S	*	*			trans	60.3	116.8	151.5	43.9	0	0	0	0	120.5
296	I	31.4	Very low	31.5	Very low	153 Å²	153	132.6 Å²	132.6	79%	0.785	74%	0.737	S	S	*	*				66.5	129.8	81.9	-71.1	173.3	0	0	0	113.9
297	P	35.1	Very low	31.3	Very low	101 Å²	101	131.2 Å²	131.2	66%	0.656	73%	0.726	S	S	*	*			cis	-148.1	-154.1	-18.2	44.5	-22.8	0	0	0	115.2
298	Y	26.4	Very low	31.1	Very low	217 Å²	217	135.3 Å²	135.3	85%	0.851	73%	0.733	S	S	*	*			trans	3.4	134.3	158.6	-65.4	-77.7	0	0	0	121.3
299	H	31.6	Very low	30.7	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.806	73%	0.729	S	S	*	*				170.9	130.5	95.4	-168.1	-122.6	0	0	0	114.8
300	S	28.5	Very low	30.5	Very low	77 Å²	77	136 Å²	136	54%	0.538	73%	0.728	S	S	.	*			trans	40.1	115.6	147.7	-59.2	0	0	0	0	125.9
301	T	27.8	Very low	30	Very low	129 Å²	129	137.5 Å²	137.5	79%	0.791	72%	0.724	S	S	*	*				72	158.3	116.3	-36.9	0	0	0	0	121.8
302	I	28.6	Very low	29.7	Very low	140 Å²	140	140.2 Å²	140.2	72%	0.718	73%	0.726	S	S	*	*			trans	104.2	105	156.4	-59.9	-177.2	0	0	0	118.8
303	H	28.6	Very low	29.6	Very low	161 Å²	161	137.7 Å²	137.7	75%	0.745	73%	0.725	S	S	*	*			trans	65.6	165.9	143.9	-81.4	-118.4	0	0	0	120.3
304	S	30.5	Very low	29.4	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	73%	0.725	S	S	*	*			cis	-159.2	150.3	2.1	18.5	0	0	0	0	115
305	N	27.6	Very low	29.3	Very low	133 Å²	133	140 Å²	140	71%	0.711	73%	0.733	S	S	*	*			trans	52.6	148.5	133.6	-52.5	-11.8	0	0	0	124.2
306	I	32.7	Very low	28.9	Very low	169 Å²	169	139.3 Å²	139.3	87%	0.867	73%	0.733	S	S	*	*			trans	150.3	140.2	130.8	-80.5	158	0	0	0	110.5
307	H	30.5	Very low	28.6	Very low	133 Å²	133	138.6 Å²	138.6	62%	0.616	74%	0.736	S	S	*	*			cis	-164.3	-179	-33.7	-163.6	-104.4	0	0	0	109.4
308	F	28.1	Very low	28.1	Very low	179 Å²	179	140.4 Å²	140.4	79%	0.785	75%	0.746	S	S	*	*			trans	72.6	120.1	173.5	-65.2	-85.2	0	0	0	117.8
309	T	26.4	Very low	28	Very low	90 Å²	90	140.2 Å²	140.2	55%	0.552	74%	0.743	S	S	*	*			cis	103.1	112.6	5.4	79	0	0	0	0	119.2
310	N	29.6	Very low	27.9	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	74%	0.741	S	S	*	*			trans	-179.9	103.6	143	-88.2	-19.5	0	0	0	106.5
311	Q	26.9	Very low	27.7	Very low	152 Å²	152	141 Å²	141	71%	0.71	75%	0.751	S	S	*	*				53.1	123.9	84.7	-58.7	-168.7	7.6	0	0	112.6
312	F	29.8	Very low	27.8	Very low	188 Å²	188	144 Å²	144	83%	0.825	75%	0.753	S	S	*	*				-152.6	168	50.8	-92.6	-92.2	0	0	0	115.4
313	A	29.5	Very low	27.5	Very low	83 Å²	83	144.5 Å²	144.5	69%	0.686	76%	0.758	S	S	*	*			trans	42.4	104.9	157.1	0	0	0	0	0	119.8
314	L	25.1	Very low	27.4	Very low	158 Å²	158	142.2 Å²	142.2	83%	0.827	76%	0.758	S	S	*	*				71.3	93.7	77.3	-70.5	172.9	0	0	0	116.2
315	N	26.9	Very low	27.1	Very low	147 Å²	147	144 Å²	144	79%	0.786	76%	0.76	S	S	*	*				-179.2	151.1	103.1	-92.8	-22.8	0	0	0	115.3
316	S	26.2	Very low	26.9	Very low	100 Å²	100	142.4 Å²	142.4	70%	0.699	76%	0.757	S	S	*	*			trans	46.7	93.4	158.8	55.3	0	0	0	0	120.3
317	T	24.2	Very low	26.7	Very low	138 Å²	138	142 Å²	142	85%	0.847	76%	0.756	S	S	*	*				58.1	72.6	128.8	-41.4	0	0	0	0	118.6
318	T	25.1	Very low	26.4	Very low	139 Å²	139	141.6 Å²	141.6	85%	0.853	75%	0.754	S	S	*	*			trans	-165.2	152.5	141.5	7.9	0	0	0	0	112.7
319	R	24.9	Very low	26.3	Very low	213 Å²	213	139.9 Å²	139.9	80%	0.804	76%	0.758	S	S	*	*			trans	57.6	76.3	148.6	-161.8	-172.4	-160.6	174.5	6.5	118.1
320	S	27.7	Very low	26.2	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	76%	0.761	S	S	*	*			trans	-76.4	125.8	154.4	49.2	0	0	0	0	110.4
321	Q	26.1	Very low	25.9	Very low	159 Å²	159	144.3 Å²	144.3	74%	0.743	76%	0.755	S	S	*	*			trans	-88.8	119.3	178.3	-66.7	171.2	-28	0	0	110
322	F	27.9	Very low	25.9	Very low	190 Å²	190	141.6 Å²	141.6	83%	0.833	75%	0.745	S	S	*	*			trans	-104.5	115.5	161.1	-88.7	-78.7	0	0	0	110	C324	F322-C324 PolarHBondContact O-N 3.44Å
323	N	23.5	Very low	25.7	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	73%	0.73	S	S	*	*			trans	-80.4	91.9	-178.2	-177.3	21.2	0	0	0	110.5
324	C	25.4	Very low	25.6	Very low	112 Å²	112	141 Å²	141	76%	0.757	74%	0.74	S	S	*	*			trans	-119.9	117	171.6	-77.4	0	0	0	0	109.8	F322	F322-C324 PolarHBondContact O-N 3.44Å
325	N	24.1	Very low	25.8	Very low	130 Å²	130	138.7 Å²	138.7	70%	0.695	73%	0.733	S	S	*	*			trans	-57.5	145.9	172.4	-72.4	-61.5	0	0	0	110.7	I327	N325-I327 PolarHBondContact O-N 3.14Å; N325-I327 VanDerWaalsContact O-N 3.07Å
326	P	25.4	Very low	25.8	Very low	100 Å²	100	138.2 Å²	138.2	65%	0.649	73%	0.73	S	S	*	*			trans	-60	117.5	163.7	27.1	-32.5	0	0	0	107.8	Q328	P326-Q328 PolarHBondContact O-N 2.78Å
327	I	27.1	Very low	25.9	Very low	162 Å²	162	140.1 Å²	140.1	83%	0.831	73%	0.733	S	S	*	*			trans	-75.4	75.8	174	-56.9	-177.5	0	0	0	108.1	N325 T329	N325-I327 PolarHBondContact O-N 3.14Å; N325-I327 VanDerWaalsContact O-N 3.07Å; I327-T329 PolarHBondContact O-N 3.05Å
328	Q	24.7	Very low	26.2	Very low	124 Å²	124	141.7 Å²	141.7	58%	0.579	74%	0.736	S	S	*	*			trans	-33.3	124.4	147.7	-174.3	-179.3	43.4	0	0	108.1	P326 R330	P326-Q328 PolarHBondContact O-N 2.78Å; Q328-R330 HydrophobicContact CB-CG 4.22Å; Q328-R330 HydrophobicContact CG-CG 3.91Å; Q328-R330 PolarHBondContact O-N 2.97Å
329	T	25.5	Very low	26.4	Very low	143 Å²	143	141.7 Å²	141.7	88%	0.877	73%	0.729	S	S	*	*			trans	-72.1	64.5	174.4	27.4	0	0	0	0	110.4	I327 Y331	I327-T329 PolarHBondContact O-N 3.05Å; T329-Y331 PolarHBondContact O-N 3.49Å
330	R	24.5	Very low	26.6	Very low	160 Å²	160	140 Å²	140	60%	0.604	73%	0.73	S	S	*	*			trans	-56.7	99.8	175	-83.2	-173.8	170.5	-155.4	-5.7	110	Q328 L332	Q328-R330 HydrophobicContact CB-CG 4.22Å; Q328-R330 HydrophobicContact CG-CG 3.91Å; Q328-R330 PolarHBondContact O-N 2.97Å; R330-L332 HydrophobicContact CB-CB 4Å; R330-L332 HydrophobicContact CG-CB 4.07Å; R330-L332 HydrophobicContact CG-CD1 4.26Å; R330-L332 PolarHBondContact O-N 3.1Å
331	Y	24.1	Very low	26.7	Very low	171 Å²	171	140 Å²	140	67%	0.671	73%	0.73	S	S	*	*			trans	-76.1	61.2	133.4	-84.6	-90.9	0	0	0	108.9	I233 T329	I233-Y331 HydrophobicContact CD1-CE1 3.89Å; T329-Y331 PolarHBondContact O-N 3.49Å
332	L	26.8	Very low	26.6	Very low	96 Å²	96	142 Å²	142	50%	0.503	74%	0.737	S	S	.	*			trans	-91.8	151.7	160.1	-125.2	89.4	0	0	0	108	R330	R330-L332 HydrophobicContact CB-CB 4Å; R330-L332 HydrophobicContact CG-CB 4.07Å; R330-L332 HydrophobicContact CG-CD1 4.26Å; R330-L332 PolarHBondContact O-N 3.1Å
333	E	25.5	Very low	26.7	Very low	108 Å²	108	139.8 Å²	139.8	51%	0.505	74%	0.738	S	S	.	*			trans	-65	139.6	174	-73.5	92.7	175.1	0	0	112.7	T335	E333-T335 HydrophobicContact CB-CG2 4.45Å
334	V	26.7	Very low	27	Very low	150 Å²	150	139 Å²	139	91%	0.909	74%	0.735	S	S	*	*			trans	-94.3	104.2	155	176.7	0	0	0	0	105.7
335	T	28.9	Very low	27.5	Very low	109 Å²	109	138.5 Å²	138.5	67%	0.669	73%	0.729	S	S	*	*			trans	-95.7	136.2	168.1	37.1	0	0	0	0	109.7	E333	E333-T335 HydrophobicContact CB-CG2 4.45Å
336	N	27.2	Very low	27.8	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	74%	0.736	S	S	*	*			trans	42.8	92.1	148.7	-61.7	12.6	0	0	0	117.9
337	N	28.3	Very low	28	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	74%	0.735	S	S	*	*				162.3	121.4	97.3	-81.3	-20.3	0	0	0	111.2
338	D	31.3	Very low	28.3	Very low	171 Å²	171	139.7 Å²	139.7	91%	0.914	73%	0.733	S	S	*	*				-163.9	159.1	124.1	-104.4	-30.3	0	0	0	110.1
339	I	28.3	Very low	28.4	Very low	139 Å²	139	139.6 Å²	139.6	71%	0.713	74%	0.737	S	S	*	*			trans	-113.5	160	-163.1	-53	175	0	0	0	110.2
340	H	29.7	Very low	28.6	Very low	178 Å²	178	137.4 Å²	137.4	82%	0.824	73%	0.733	S	S	*	*			trans	77.6	143.2	-179.1	-57.2	-87.6	0	0	0	115
341	S	29.4	Very low	28.8	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	74%	0.742	S	S	*	*			cis	-146.5	158.4	-3.6	37.7	0	0	0	0	112.2
342	F	25.2	Very low	28.9	Very low	200 Å²	200	138.8 Å²	138.8	88%	0.877	75%	0.754	S	S	*	*			trans	-62.7	153.4	169.9	-79.6	-116.8	0	0	0	111.6
343	V	30.1	Very low	28.8	Very low	143 Å²	143	138.9 Å²	138.9	87%	0.867	76%	0.762	S	S	*	*				-171.9	120.3	112.6	147.8	0	0	0	0	109
344	N	28.9	Very low	29.2	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	77%	0.774	S	S	*	*			trans	-82.9	176.3	166.5	-162.7	0.1	0	0	0	108.3
345	P	35	Very low	29.2	Very low	100 Å²	100	136.2 Å²	136.2	65%	0.649	76%	0.764	S	S	*	*				-161.4	163	88.5	44.6	-24.9	0	0	0	119
346	K	31.6	Very low	29.2	Very low	191 Å²	191	137.5 Å²	137.5	83%	0.83	77%	0.767	S	S	*	*			trans	83.8	105	152.2	-45.7	-145.2	171.8	-179	0	120.1
347	T	28.8	Very low	29.3	Very low	104 Å²	104	140 Å²	140	64%	0.638	77%	0.774	S	S	*	*			trans	-71.9	176.9	142.2	61.2	0	0	0	0	109.8	D349	T347-D349 WeakPolarHBondContact CB-OD1 3.34Å; T347-D349 PolarHBondContact OG1-OD1 3.44Å
348	P	33.8	Very low	29.1	Very low	122 Å²	122	137.7 Å²	137.7	79%	0.792	78%	0.775	S	S	*	*				-124.8	-178.8	68.1	10.2	13.2	0	0	0	113.6
349	D	27.5	Very low	29.2	Very low	123 Å²	123	138.8 Å²	138.8	66%	0.658	77%	0.772	S	S	*	*			cis	-172.8	-144.9	-43.7	-83.9	-19	0	0	0	106	T347	T347-D349 WeakPolarHBondContact CB-OD1 3.34Å; T347-D349 PolarHBondContact OG1-OD1 3.44Å
350	A	29.6	Very low	29	Very low	96 Å²	96	139.3 Å²	139.3	79%	0.793	78%	0.775	S	S	*	*			trans	62.5	91.5	-176	0	0	0	0	0	114.3
351	T	27.9	Very low	28.9	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	77%	0.772	S	S	*	*			cis	82.6	74.4	31.6	-37.5	0	0	0	0	115.4
352	Y	26.2	Very low	28.8	Very low	232 Å²	232	138.3 Å²	138.3	91%	0.91	77%	0.77	S	S	*	*			trans	-154.7	145.7	139.1	-139.9	-94.7	0	0	0	112.3
353	S	23.8	Very low	28.9	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	77%	0.77	S	S	*	*			trans	-179.3	152.3	-174.7	-177.6	0	0	0	0	109.2
354	P	34.3	Very low	29	Very low	116 Å²	116	136 Å²	136	75%	0.753	76%	0.761	S	S	*	*			cis	-131.7	-154.1	-32.1	37.5	-19.5	0	0	0	111.1
355	A	26.4	Very low	28.8	Very low	86 Å²	86	136.3 Å²	136.3	71%	0.711	76%	0.762	S	S	*	*			trans	93.3	161.7	152.2	0	0	0	0	0	120.1
356	N	30.2	Very low	28.5	Very low	137 Å²	137	139 Å²	139	73%	0.733	77%	0.766	S	S	*	*			trans	85	103.9	168.5	-65.2	10.2	0	0	0	120.7
357	E	29.4	Very low	28.3	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	76%	0.759	S	S	*	*				81.7	154.6	129.4	-62.6	-174.1	124.6	0	0	121
358	A	24.1	Very low	28.3	Very low	93 Å²	93	136.9 Å²	136.9	77%	0.769	76%	0.762	S	S	*	*			trans	-125.5	140.5	-169.5	0	0	0	0	0	112.4
359	K	32.8	Very low	28	Very low	195 Å²	195	137.5 Å²	137.5	85%	0.848	76%	0.759	S	S	*	*			trans	-165	122.7	151.1	-99.8	140.7	-175.6	174.4	0	107.6
360	L	25	Very low	28	Very low	149 Å²	149	140.6 Å²	140.6	78%	0.78	77%	0.766	S	S	*	*				83.5	140.9	74.3	-111.1	160.4	0	0	0	113.3
361	I	27.3	Very low	28	Very low	147 Å²	147	144.2 Å²	144.2	75%	0.754	77%	0.772	S	S	*	*			trans	74.8	99.6	172.7	-50.4	157.1	0	0	0	113.4
362	V	25.9	Very low	27.8	Very low	120 Å²	120	147.7 Å²	147.7	73%	0.727	78%	0.779	S	S	*	*				83.2	104.4	51.5	-178.1	0	0	0	0	114.4
363	Q	27.7	Very low	27.8	Very low	186 Å²	186	142 Å²	142	87%	0.869	77%	0.771	S	S	*	*			trans	87.7	154.8	152.9	-77.9	-169.6	15	0	0	121.7
364	P	32	Very low	27.8	Very low	107 Å²	107	143.9 Å²	143.9	70%	0.695	78%	0.778	S	S	*	*			trans	-121	-170.9	-149.9	45.3	-33.9	0	0	0	113.3
365	I	25.6	Very low	27.5	Very low	144 Å²	144	144.4 Å²	144.4	74%	0.738	78%	0.779	S	S	*	*			trans	-170.8	128.8	137	-106	158.3	0	0	0	114.9
366	Q	27.4	Very low	27.5	Very low	158 Å²	158	148 Å²	148	74%	0.738	78%	0.783	S	S	*	*			trans	65.6	151.3	143.8	-64.8	173.2	1.3	0	0	126.7
367	T	28.3	Very low	27.6	Very low	113 Å²	113	147 Å²	147	69%	0.693	78%	0.784	S	S	*	*			trans	88.1	104.1	138.8	41	0	0	0	0	124.7
368	I	28.6	Very low	27.6	Very low	136 Å²	136	145.4 Å²	145.4	70%	0.697	78%	0.782	S	S	*	*				82.9	101.6	118.1	-68.1	177.4	0	0	0	121
369	D	27	Very low	28	Very low	135 Å²	135	148 Å²	148	72%	0.722	78%	0.783	S	S	*	*				60.2	153.4	122.8	-48.1	-16.6	0	0	0	125.5
370	K	27.5	Very low	27.9	Very low	188 Å²	188	144.6 Å²	144.6	82%	0.817	77%	0.771	S	S	*	*			trans	80.1	88.4	160.1	-53.7	-174.6	-173.7	174.7	0	117.8
371	L	29.9	Very low	28.3	Very low	173 Å²	173	142.7 Å²	142.7	91%	0.906	77%	0.769	S	S	*	*				-175.7	131	118.1	-94.7	157.4	0	0	0	108.7
372	Q	24.9	Very low	28.3	Very low	201 Å²	201	144.8 Å²	144.8	94%	0.939	77%	0.768	S	S	*	*			trans	-109.8	123	-175.7	-78.9	-168.9	-34.4	0	0	113.2
373	P	25.6	Very low	29	Very low	113 Å²	113	141.3 Å²	141.3	73%	0.734	75%	0.745	S	S	*	*			trans	-119.2	133.3	157.4	19.6	0.5	0	0	0	112.8
374	T	23.8	Very low	29.1	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	74%	0.738	S	S	*	*			trans	-26.4	126.5	167.8	51.5	0	0	0	0	118
375	T	28.4	Very low	29.4	Very low	126 Å²	126	138.5 Å²	138.5	77%	0.773	74%	0.735	S	S	*	*			trans	-169.5	153.8	145.2	4.4	0	0	0	0	114.8
376	M	26.7	Very low	29.9	Very low	162 Å²	162	135 Å²	135	80%	0.798	72%	0.722	S	S	*	*			trans	59.6	130.6	160.6	-64.1	-64.1	102.4	0	0	120.6
377	P	31.6	Very low	30.1	Very low	116 Å²	116	129.9 Å²	129.9	75%	0.753	71%	0.712	S	S	*	*			trans	-90.8	148.4	173.7	35.8	-33.3	0	0	0	113.4
378	N	29.1	Very low	30.4	Very low	154 Å²	154	126.8 Å²	126.8	82%	0.824	70%	0.698	S	S	*	*			trans	-77.2	125	170.9	-63.8	-41.1	0	0	0	111.2
379	N	32.1	Very low	30.6	Very low	148 Å²	148	124 Å²	124	79%	0.791	69%	0.689	S	S	*	*			trans	169.6	102.3	145.7	-90.1	-15.3	0	0	0	110
380	M	31.8	Very low	30.9	Very low	124 Å²	124	125.7 Å²	125.7	61%	0.611	69%	0.686	S	S	*	*			trans	-139.5	80.1	174.8	-84.3	179.4	53.7	0	0	111.5	P389	M380-P389 HydrophobicContact CE-CB 4.12Å; M380-P389 HydrophobicContact CE-CG 4.43Å; M380-P389 HydrophobicContact CG-CB 4.23Å
381	C	33.3	Very low	31	Very low	109 Å²	109	122.3 Å²	122.3	74%	0.736	68%	0.682	S	S	*	*			trans	-76.2	138.9	163.5	-55.6	0	0	0	0	109.3
382	W	27.5	Very low	31.1	Very low	191 Å²	191	122.9 Å²	122.9	72%	0.723	68%	0.68	S	S	*	*			trans	-94.6	134.8	-172.3	-78.6	71.4	0	0	0	111.9	P384	W382-P384 WeakPolarHBondContact O-CD 3.36Å
383	N	39.3	Very low	31.1	Very low	46 Å²	46	118.2 Å²	118.2	25%	0.246	67%	0.668	C	S	.	*			trans	-90	115	175.1	-172.7	-67.3	0	0	0	111.2	I385 C386 G387	N383-I385 PolarHBondContact O-N 3.1Å; N383-I385 VanDerWaalsContact O-N 3.15Å; N383-I385 PolarHBondContact OD1-N 3.3Å; N383-C386 PolarHBondContact OD1-N 3.36Å; N383-C386 PolarHBondContact OD1-SG 3.17Å; N383-C386 VanDerWaalsContact OD1-SG 3.41Å; N383-G387 PolarHBondContact O-N 2.65Å
384	P	31.5	Very low	31.2	Very low	111 Å²	111	123 Å²	123	72%	0.721	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-13.5	-175.7	-21.1	34.1	0	0	0	115.2	W382	W382-P384 WeakPolarHBondContact O-CD 3.36Å
385	I	37.7	Very low	31.5	Very low	124 Å²	124	123.9 Å²	123.9	64%	0.636	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-24.5	-167.7	-57.9	-179	0	0	0	111.8	N383 C796	N383-I385 PolarHBondContact O-N 3.1Å; N383-I385 VanDerWaalsContact O-N 3.15Å; N383-I385 PolarHBondContact OD1-N 3.3Å; I385-C796 HydrophobicContact CD1-CB 4.28Å; I385-C796 WeakPolarHBondContact CD1-SG 3.41Å
386	C	35.6	Very low	31.4	Very low	69 Å²	69	124.5 Å²	124.5	47%	0.466	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121	-12.4	174.9	73.4	0	0	0	0	115.7	N383 A388	N383-C386 PolarHBondContact OD1-N 3.36Å; N383-C386 PolarHBondContact OD1-SG 3.17Å; N383-C386 VanDerWaalsContact OD1-SG 3.41Å; C386-A388 PolarHBondContact O-N 2.67Å
387	G	31	Very low	31.6	Very low	51 Å²	51	125.2 Å²	125.2	53%	0.526	68%	0.68	S	S	.	*			trans	62.9	36.4	170.7	0	0	0	0	0	115.4	N383	N383-G387 PolarHBondContact O-N 2.65Å
388	A	34.7	Very low	31.4	Very low	48 Å²	48	124.5 Å²	124.5	40%	0.397	68%	0.684	S	S	.	*			trans	-142.8	147.4	177.7	0	0	0	0	0	112	C386	C386-A388 PolarHBondContact O-N 2.67Å
389	P	34.1	Very low	31.6	Very low	77 Å²	77	122.4 Å²	122.4	50%	0.5	68%	0.681	S	S	.	*			trans	-77.5	151	177.4	31.5	-34.7	0	0	0	113	M380	M380-P389 HydrophobicContact CE-CB 4.12Å; M380-P389 HydrophobicContact CE-CG 4.43Å; M380-P389 HydrophobicContact CG-CB 4.23Å
390	Y	32.4	Very low	31.5	Very low	172 Å²	172	122 Å²	122	68%	0.675	68%	0.679	S	S	*	*			trans	-95	100	-178.5	-105.8	-101.4	0	0	0	112
391	T	31.1	Very low	31.6	Very low	117 Å²	117	124 Å²	124	72%	0.718	69%	0.686	S	S	*	*			trans	-151.8	152.9	162.5	46.5	0	0	0	0	111.3
392	Q	30.8	Very low	31.5	Very low	185 Å²	185	124.9 Å²	124.9	86%	0.864	68%	0.684	S	S	*	*			trans	67.2	134	178.9	-56.3	-179.4	-15.8	0	0	115.6
393	C	25.8	Very low	31.8	Very low	103 Å²	103	121.7 Å²	121.7	70%	0.696	68%	0.681	S	S	*	*			cis	-157.6	135	-11.9	-114.3	0	0	0	0	108.8
394	F	26.5	Very low	31.5	Very low	212 Å²	212	126 Å²	126	93%	0.93	70%	0.699	S	S	*	*			trans	-85.8	122.2	155.9	-93.3	-88.8	0	0	0	108.2
395	M	30.6	Very low	31.4	Very low	156 Å²	156	127.3 Å²	127.3	77%	0.768	70%	0.7	S	S	*	*			trans	-140.4	111	159.7	-84.1	-172.4	164.5	0	0	104.7
396	N	26.9	Very low	30.9	Very low	140 Å²	140	126 Å²	126	75%	0.749	70%	0.702	S	S	*	*				75.6	106.7	95.7	-70.5	7.7	0	0	0	112
397	D	30.4	Very low	30.7	Very low	177 Å²	177	131.9 Å²	131.9	95%	0.947	72%	0.72	S	S	*	*			trans	-136.9	149.9	132.8	-96.4	-43	0	0	0	106.9
398	A	27.5	Very low	30.4	Very low	101 Å²	101	135.8 Å²	135.8	84%	0.835	73%	0.734	S	S	*	*			trans	-138.5	141.5	-165.9	0	0	0	0	0	112.8
399	S	32.9	Very low	30.3	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	75%	0.748	S	S	*	*			trans	-160.5	122	164.6	58.1	0	0	0	0	111.4
400	N	29.7	Very low	30.1	Very low	140 Å²	140	143 Å²	143	75%	0.749	77%	0.766	S	S	*	*			trans	11.3	134.1	153.8	-47.4	-5.9	0	0	0	117.9
401	H	34.5	Very low	30	Very low	164 Å²	164	139.9 Å²	139.9	76%	0.759	77%	0.77	S	S	*	*				-152.7	176.5	55.3	-105	-70.8	0	0	0	115.6
402	D	32.1	Very low	29.7	Very low	128 Å²	128	142 Å²	142	68%	0.684	77%	0.769	S	S	*	*			trans	-65.7	169.9	179.6	-34.8	-97.4	0	0	0	112.6
403	N	32.4	Very low	29.3	Very low	125 Å²	125	142.1 Å²	142.1	67%	0.668	77%	0.767	S	S	*	*			cis	-162.3	161.9	23.2	-147	-18	0	0	0	114.9
404	H	33	Very low	29.4	Very low	136 Å²	136	144.8 Å²	144.8	63%	0.63	77%	0.769	S	S	*	*			trans	60.7	120.1	156	-81.2	-57.8	0	0	0	124.8
405	N	29.4	Very low	29.5	Very low	138 Å²	138	140.2 Å²	140.2	74%	0.738	76%	0.763	S	S	*	*			trans	67.4	149	137.4	-52.4	-15.1	0	0	0	119.7
406	S	27.6	Very low	29.2	Very low	96 Å²	96	140 Å²	140	67%	0.671	76%	0.764	S	S	*	*			cis	-173.7	149.2	-24.9	63.4	0	0	0	0	105.7
407	K	30.6	Very low	29.1	Very low	193 Å²	193	140.1 Å²	140.1	84%	0.839	77%	0.765	S	S	*	*			cis	-152.7	168.5	29.8	-61	170	-178.9	171.1	0	110.7
408	T	26.4	Very low	28.9	Very low	134 Å²	134	142.8 Å²	142.8	82%	0.822	76%	0.761	S	S	*	*			trans	-134.1	-173	170.8	51	0	0	0	0	109
409	P	32	Very low	28.8	Very low	106 Å²	106	144.5 Å²	144.5	69%	0.688	76%	0.755	S	S	*	*				-124.6	-164.3	-50.5	35.7	-19.2	0	0	0	110.7
410	L	29	Very low	28.4	Very low	169 Å²	169	147 Å²	147	89%	0.885	75%	0.754	S	S	*	*				175.4	166.2	124.2	-94.7	164.7	0	0	0	112.8
411	S	31.2	Very low	28.2	Very low	108 Å²	108	147.3 Å²	147.3	76%	0.755	76%	0.756	S	S	*	*			trans	-148.8	149.8	-177.5	62.9	0	0	0	0	114.2
412	F	23.8	Very low	27.8	Very low	161 Å²	161	144.5 Å²	144.5	71%	0.706	75%	0.754	S	S	*	*			trans	-160.8	137.9	165.1	-134.3	-113.7	0	0	0	107
413	K	23.9	Very low	27.4	Very low	187 Å²	187	143.6 Å²	143.6	81%	0.813	76%	0.758	S	S	*	*			cis	94	37.3	20.8	-147.4	-162.2	172.5	-177.6	0	117.2
414	E	28.1	Very low	27.1	Very low	160 Å²	160	144.8 Å²	144.8	75%	0.748	77%	0.769	S	S	*	*			trans	-150.4	141	157.6	-96.6	136	-166.2	0	0	106.6
415	S	27	Very low	26.6	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	77%	0.771	S	S	*	*			cis	-145.3	161.6	23.8	-62	0	0	0	0	112.9
416	I	24.6	Very low	26.4	Very low	152 Å²	152	145 Å²	145	78%	0.779	78%	0.779	S	S	*	*			trans	-135.9	148.8	172.2	-53.6	178	0	0	0	109.6
417	N	24.9	Very low	26.3	Very low	143 Å²	143	147.9 Å²	147.9	77%	0.765	78%	0.782	S	S	*	*			trans	108.4	154	161	-62.1	-68.3	0	0	0	119.2
418	R	25.7	Very low	26	Very low	232 Å²	232	145.6 Å²	145.6	88%	0.875	78%	0.777	S	S	*	*			trans	86.4	144.7	-172	-54.3	159.6	-173.3	-101.3	1.7	113.2
419	I	26.3	Very low	26.1	Very low	138 Å²	138	146.3 Å²	146.3	71%	0.708	78%	0.776	S	S	*	*			cis	-150.3	128.4	-19.4	-103.5	162	0	0	0	103.6
420	Q	24.4	Very low	25.9	Very low	161 Å²	161	149.2 Å²	149.2	75%	0.752	78%	0.778	S	S	*	*				67.8	145.3	67.8	-95	-66	-6.4	0	0	116.5
421	L	24.3	Very low	25.8	Very low	148 Å²	148	149.2 Å²	149.2	78%	0.775	78%	0.779	S	S	*	*			trans	68.8	146.3	178.4	-54.3	172.4	0	0	0	116.6
422	S	26.4	Very low	25.6	Very low	104 Å²	104	149 Å²	149	73%	0.727	77%	0.774	S	S	*	*			cis	-160.3	156.5	-17.5	47.8	0	0	0	0	112.8
423	S	24.4	Very low	25.7	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	79%	0.785	S	S	*	*			trans	-45.4	146	177.1	52.3	0	0	0	0	119.7
424	V	25.6	Very low	25.7	Very low	149 Å²	149	149.3 Å²	149.3	90%	0.903	78%	0.783	S	S	*	*			trans	-135.3	147.4	133.4	-180	0	0	0	0	107.8
425	S	23.3	Very low	25.6	Very low	95 Å²	95	147.1 Å²	147.1	66%	0.664	78%	0.783	S	S	*	*			trans	-142.3	144.8	-177.8	-171.3	0	0	0	0	111.6
426	M	25.5	Very low	25.6	Very low	183 Å²	183	146 Å²	146	90%	0.901	78%	0.776	S	S	*	*			trans	-135.8	120.9	156.8	-73.4	-164.1	74.2	0	0	110
427	Q	24.3	Very low	25.7	Very low	157 Å²	157	148 Å²	148	73%	0.734	78%	0.782	S	S	*	*			trans	-77.5	168.4	157.5	-60	165	1.7	0	0	106.7
428	I	25.6	Very low	25.7	Very low	146 Å²	146	149.2 Å²	149.2	75%	0.749	79%	0.788	S	S	*	*				-165.8	146.7	54.5	-73.5	177.7	0	0	0	103.3
429	N	27.3	Very low	25.9	Very low	149 Å²	149	141.2 Å²	141.2	80%	0.797	78%	0.777	S	S	*	*			cis	-147.9	169	48.3	-151.7	-4.4	0	0	0	114
430	K	27.5	Very low	25.8	Very low	167 Å²	167	146.3 Å²	146.3	73%	0.726	79%	0.79	S	S	*	*			trans	-112.1	151.4	-179.7	-59.7	170.5	-177.8	171.3	0	111
431	N	27.9	Very low	25.9	Very low	169 Å²	169	144.6 Å²	144.6	90%	0.904	79%	0.794	S	S	*	*				-164.1	111.5	129.5	-100.2	-13.8	0	0	0	109.6
432	P	26	Very low	26.2	Very low	102 Å²	102	143 Å²	143	66%	0.662	79%	0.786	S	S	*	*			trans	-98	146.2	-179.2	36.3	-31.7	0	0	0	112.6
433	L	25.9	Very low	26.4	Very low	177 Å²	177	144.6 Å²	144.6	93%	0.927	79%	0.786	S	S	*	*			trans	-136.1	93.7	163	-94.3	165.9	0	0	0	109.4
434	F	24.3	Very low	26.6	Very low	178 Å²	178	146.3 Å²	146.3	78%	0.781	79%	0.786	S	S	*	*			trans	-83	158.4	155.8	-78.8	-92.6	0	0	0	108.7
435	P	25.8	Very low	26.8	Very low	114 Å²	114	142.1 Å²	142.1	74%	0.74	76%	0.763	S	S	*	*				-127.7	155.5	105.3	3.6	17.5	0	0	0	113.6
436	S	27.8	Very low	27.1	Very low	93 Å²	93	145.4 Å²	145.4	65%	0.65	77%	0.765	S	S	*	*			trans	34.6	112.4	157.9	55.1	0	0	0	0	118.1	D438	S436-D438 PolarHBondContact O-N 2.96Å
437	E	25.6	Very low	27.4	Very low	194 Å²	194	144.4 Å²	144.4	91%	0.907	75%	0.753	S	S	*	*				47.4	52.3	63.5	-57.3	-161.7	138.3	0	0	114.8
438	D	26.1	Very low	27.6	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	74%	0.741	S	S	*	*			trans	-156.4	98.2	155.2	-119.9	-25.4	0	0	0	110.3	S436	S436-D438 PolarHBondContact O-N 2.96Å
439	G	28.7	Very low	27.8	Very low	63 Å²	63	138.4 Å²	138.4	65%	0.649	73%	0.732	S	S	*	*			trans	-161.3	-34.4	-172.3	0	0	0	0	0	117.4	C441	G439-C441 PolarHBondContact O-N 3.42Å
440	Y	26	Very low	27.9	Very low	246 Å²	246	137.6 Å²	137.6	97%	0.965	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	35.6	-175.6	-99.4	-90.6	0	0	0	114.8
441	C	25.8	Very low	28	Very low	125 Å²	125	135.7 Å²	135.7	85%	0.845	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.4	39.5	177.9	-123.9	0	0	0	0	115.7	G439	G439-C441 PolarHBondContact O-N 3.42Å
442	N	29.5	Very low	28.1	Very low	115 Å²	115	130.3 Å²	130.3	62%	0.615	70%	0.695	S	S	*	*			trans	-139.4	-0.4	179.3	-123.1	-43.7	0	0	0	118.8	L444 S445	N442-L444 VanDerWaalsContact C-N 3.3Å; N442-L444 PolarHBondContact O-N 3.03Å; N442-S445 PolarHBondContact O-N 3.34Å; N442-S445 PolarHBondContact O-OG 3.04Å; N442-S445 PolarHBondContact OD1-OG 3.26Å
443	L	30.7	Very low	28.3	Very low	136 Å²	136	131 Å²	131	71%	0.712	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-26.4	-177.1	-84.3	163.1	0	0	0	114.6	S445	L443-S445 PolarHBondContact O-N 2.86Å
444	L	29.1	Very low	28.5	Very low	147 Å²	147	129.9 Å²	129.9	77%	0.77	68%	0.68	S	S	*	*	H	α-helix	trans	-67.8	-16.6	176.3	-105.1	71.5	0	0	0	114.3	N442 S448	N442-L444 VanDerWaalsContact C-N 3.3Å; N442-L444 PolarHBondContact O-N 3.03Å; L444-S448 PolarHBondContact O-OG 2.7Å
445	S	29.3	Very low	28.7	Very low	61 Å²	61	123.3 Å²	123.3	43%	0.427	66%	0.656	S	S	.	*	H	α-helix	trans	-82.8	-21.9	-177.4	68.5	0	0	0	0	113.9	N442 L443 S448	N442-S445 PolarHBondContact O-N 3.34Å; N442-S445 PolarHBondContact O-OG 3.04Å; N442-S445 PolarHBondContact OD1-OG 3.26Å; L443-S445 PolarHBondContact O-N 2.86Å; S445-S448 PolarHBondContact O-OG 3.28Å
446	K	31.4	Very low	29	Very low	163 Å²	163	122.9 Å²	122.9	71%	0.709	65%	0.651	S	S	*	*	H	α-helix	trans	-78.3	-43.3	174.3	-71.1	-168.5	174.9	-174.6	0	112.4	S448 N449	K446-S448 PolarHBondContact O-N 3Å; K446-N449 PolarHBondContact O-N 3.3Å; K446-N449 VanDerWaalsContact O-N 3.1Å
447	Y	30.9	Very low	28.9	Very low	163 Å²	163	129.2 Å²	129.2	64%	0.639	66%	0.662	S	S	*	*	H	α-helix	trans	-68.6	-17.2	-179.1	-73	-79.2	0	0	0	114.4	N449	Y447-N449 PolarHBondContact O-N 2.83Å
448	S	28.8	Very low	29.1	Very low	71 Å²	71	124.9 Å²	124.9	50%	0.497	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-64.4	-15.8	169.5	28.8	0	0	0	0	114.7	L444 S445 K446	L444-S448 PolarHBondContact O-OG 2.7Å; S445-S448 PolarHBondContact O-OG 3.28Å; K446-S448 PolarHBondContact O-N 3Å
449	N	30.1	Very low	29.2	Very low	105 Å²	105	125.3 Å²	125.3	56%	0.561	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-89.5	-1.7	-178.5	-74.9	-13.9	0	0	0	115.1	K446 Y447 N451 S452	K446-N449 PolarHBondContact O-N 3.3Å; K446-N449 VanDerWaalsContact O-N 3.1Å; Y447-N449 PolarHBondContact O-N 2.83Å; N449-N451 PolarHBondContact O-N 3.37Å; N449-N451 VanDerWaalsContact O-N 3.14Å; N449-S452 WeakPolarHBondContact O-CB 3.43Å; N449-S452 PolarHBondContact O-N 3.48Å; N449-S452 PolarHBondContact O-OG 2.83Å
450	F	29.1	Very low	29.2	Very low	132 Å²	132	126.9 Å²	126.9	58%	0.579	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-65.3	-17.8	173.3	-112.8	-82.7	0	0	0	113.3	S452	F450-S452 PolarHBondContact O-N 3.1Å
451	N	29.6	Very low	29.4	Very low	128 Å²	128	121.3 Å²	121.3	68%	0.684	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-73	-5	167	-73.1	-51.9	0	0	0	114.2	N449	N449-N451 PolarHBondContact O-N 3.37Å; N449-N451 VanDerWaalsContact O-N 3.14Å
452	S	30.1	Very low	29.7	Very low	55 Å²	55	123.2 Å²	123.2	39%	0.385	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-90.3	-11.9	179.2	70.5	0	0	0	0	115	N449 F450 Q454 S455	N449-S452 WeakPolarHBondContact O-CB 3.43Å; N449-S452 PolarHBondContact O-N 3.48Å; N449-S452 PolarHBondContact O-OG 2.83Å; F450-S452 PolarHBondContact O-N 3.1Å; S452-Q454 PolarHBondContact O-N 3.23Å; S452-S455 WeakPolarHBondContact O-CA 3.18Å; S452-S455 VanDerWaalsContact O-CB 3.3Å; S452-S455 WeakPolarHBondContact O-CB 3.43Å; S452-S455 PolarHBondContact O-N 3.35Å; S452-S455 PolarHBondContact O-OG 3.41Å
453	Q	29.3	Very low	29.7	Very low	116 Å²	116	125.1 Å²	125.1	54%	0.542	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-65.5	-30.5	167.2	-83.8	179.1	-28.2	0	0	111.4	S455 V456	Q453-S455 PolarHBondContact O-N 3.14Å; Q453-S455 VanDerWaalsContact O-N 3.14Å; Q453-V456 PolarHBondContact O-N 2.94Å
454	Q	30	Very low	29.6	Very low	155 Å²	155	126.6 Å²	126.6	72%	0.724	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-65.2	-10.5	166.6	-70.5	-172.9	-9	0	0	114	S452	S452-Q454 PolarHBondContact O-N 3.23Å
455	S	29.3	Very low	29.6	Very low	40 Å²	40	129.2 Å²	129.2	28%	0.28	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-92.8	-6.5	177.6	82.3	0	0	0	0	114.7	S452 Q453 T458	S452-S455 WeakPolarHBondContact O-CA 3.18Å; S452-S455 VanDerWaalsContact O-CB 3.3Å; S452-S455 WeakPolarHBondContact O-CB 3.43Å; S452-S455 PolarHBondContact O-N 3.35Å; S452-S455 PolarHBondContact O-OG 3.41Å; Q453-S455 PolarHBondContact O-N 3.14Å; Q453-S455 VanDerWaalsContact O-N 3.14Å; S455-T458 WeakPolarHBondContact CA-OG1 3.43Å; S455-T458 PolarHBondContact O-OG1 3.22Å
456	V	31	Very low	29.7	Very low	105 Å²	105	134.1 Å²	134.1	64%	0.636	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-73.6	-39.7	175.4	-177.2	0	0	0	0	110.3	Q453 T458	Q453-V456 PolarHBondContact O-N 2.94Å; V456-T458 PolarHBondContact O-N 3.1Å; V456-T458 VanDerWaalsContact O-N 3.12Å
457	Y	27.7	Very low	29.7	Very low	225 Å²	225	133.4 Å²	133.4	88%	0.882	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-77.3	14.2	177.1	-80.5	-79.7	0	0	0	115.6
458	T	28.8	Very low	29.6	Very low	103 Å²	103	133.9 Å²	133.9	63%	0.632	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-129.8	4.5	-177.9	44.3	0	0	0	0	115.8	S455 V456	S455-T458 WeakPolarHBondContact CA-OG1 3.43Å; S455-T458 PolarHBondContact O-OG1 3.22Å; V456-T458 PolarHBondContact O-N 3.1Å; V456-T458 VanDerWaalsContact O-N 3.12Å
459	K	28.6	Very low	29.7	Very low	178 Å²	178	135.6 Å²	135.6	77%	0.774	71%	0.705	S	S	*	*	S	Bend	trans	-103.6	63.1	179.5	-66.2	-178.2	-174.2	172.7	0	113.8
460	A	28.4	Very low	29.6	Very low	96 Å²	96	137.8 Å²	137.8	79%	0.793	72%	0.717	S	S	*	*	S	Bend	trans	-147.7	6	176.7	0	0	0	0	0	115.4
461	V	30	Very low	29.6	Very low	129 Å²	129	135.4 Å²	135.4	78%	0.782	72%	0.721	S	S	*	*			trans	-136.5	43.3	-167.4	-157	0	0	0	0	113.4
462	D	31.5	Very low	29.6	Very low	165 Å²	165	136 Å²	136	88%	0.882	73%	0.725	S	S	*	*	S	Bend	trans	-132.6	46.9	169.1	-88.3	-45.5	0	0	0	111.4
463	N	30.2	Very low	29.5	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	74%	0.743	S	S	*	*	S	Bend	trans	-155.4	100.3	166.6	-98.2	-32.1	0	0	0	109.6
464	N	29.5	Very low	29.4	Very low	168 Å²	168	140.8 Å²	140.8	90%	0.898	75%	0.754	S	S	*	*			trans	141.6	59.1	163.7	-82.3	-56.3	0	0	0	114.6
465	R	28.4	Very low	29.3	Very low	202 Å²	202	141.3 Å²	141.3	76%	0.762	76%	0.756	S	S	*	*			trans	-166.3	95	148	-123.1	178.9	-176.9	148.6	8	114.3
466	I	31.3	Very low	29.3	Very low	164 Å²	164	147.4 Å²	147.4	84%	0.841	78%	0.784	S	S	*	*				-160.4	119.9	122.3	-90.9	143.2	0	0	0	105.2
467	N	30.8	Very low	29.1	Very low	148 Å²	148	148.8 Å²	148.8	79%	0.791	79%	0.788	S	S	*	*			trans	-143.7	141.3	170.4	-124.6	-15.2	0	0	0	106.2
468	H	29.8	Very low	29.1	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.796	78%	0.775	S	S	*	*			trans	63.8	124.5	-159.7	-37.8	-73.9	0	0	0	111.9
469	S	31	Very low	29.2	Very low	108 Å²	108	145.7 Å²	145.7	76%	0.755	78%	0.781	S	S	*	*			cis	-142.8	129.1	30.5	51.8	0	0	0	0	114.9
470	N	28	Very low	29.3	Very low	150 Å²	150	146.9 Å²	146.9	80%	0.802	78%	0.782	S	S	*	*			trans	37.7	119.6	147.4	-61.3	8.6	0	0	0	122
471	A	27.9	Very low	29.3	Very low	82 Å²	82	149.9 Å²	149.9	68%	0.678	78%	0.78	S	S	*	*				57.4	114.7	126.4	0	0	0	0	0	118.7
472	N	30.3	Very low	29.3	Very low	142 Å²	142	149.1 Å²	149.1	76%	0.759	78%	0.777	S	S	*	*				-165.1	140.8	55.9	-91.8	-50.7	0	0	0	114.6
473	N	27.9	Very low	29.1	Very low	143 Å²	143	150.6 Å²	150.6	77%	0.765	78%	0.779	S	S	*	*			trans	55.8	128	139.4	-77.6	4.4	0	0	0	125
474	V	28.2	Very low	28.9	Very low	128 Å²	128	151.4 Å²	151.4	78%	0.776	78%	0.778	S	S	*	*			trans	94.9	119.8	137.6	170.7	0	0	0	0	118.7
475	Q	27.4	Very low	28.8	Very low	166 Å²	166	153.6 Å²	153.6	78%	0.776	78%	0.775	S	S	*	*			trans	-81	169.7	172.8	-45.9	122.3	-72.2	0	0	110.9
476	I	28.9	Very low	28.9	Very low	168 Å²	168	148.9 Å²	148.9	86%	0.862	77%	0.773	S	S	*	*				-174.3	166.8	105.4	-91.5	167.3	0	0	0	108.1
477	N	25.8	Very low	28.8	Very low	133 Å²	133	146.8 Å²	146.8	71%	0.711	77%	0.77	S	S	*	*			trans	-138.5	178.3	-156.2	-157.6	6.2	0	0	0	111.1
478	T	29	Very low	28.7	Very low	101 Å²	101	146.8 Å²	146.8	62%	0.62	78%	0.775	S	S	*	*			trans	65.8	158.1	156.6	59.6	0	0	0	0	118.5
479	H	31.4	Very low	28.7	Very low	162 Å²	162	144.8 Å²	144.8	75%	0.75	78%	0.775	S	S	*	*			cis	-165.7	-159.7	-16.4	-108.4	-16.6	0	0	0	111.5
480	Y	29.3	Very low	28.8	Very low	203 Å²	203	145.5 Å²	145.5	80%	0.796	78%	0.777	S	S	*	*			trans	91.9	137.6	163.6	-74.1	-95.5	0	0	0	117.1
481	E	29.7	Very low	28.9	Very low	160 Å²	160	145.7 Å²	145.7	75%	0.748	77%	0.773	S	S	*	*			cis	-154.6	155	-2.3	-162.1	164	-175.3	0	0	112.4
482	P	29.7	Very low	28.9	Very low	112 Å²	112	149.2 Å²	149.2	73%	0.727	77%	0.773	S	S	*	*			trans	-109.9	-174.4	176.3	41.4	-33.8	0	0	0	114.9
483	Q	27.7	Very low	28.6	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	78%	0.779	S	S	*	*			trans	-132.3	168.7	168.5	-72.8	-166.4	-20.3	0	0	112.7
484	Q	25.3	Very low	28.6	Very low	171 Å²	171	148.8 Å²	148.8	80%	0.799	78%	0.775	S	S	*	*			trans	-122.3	-166.3	-149.3	-57.2	177.2	-53.5	0	0	116.1
485	Y	27.8	Very low	28.5	Very low	213 Å²	213	148.6 Å²	148.6	84%	0.835	77%	0.774	S	S	*	*			trans	85.2	138.5	172.9	-61	-88.9	0	0	0	117.8
486	S	29.2	Very low	28.5	Very low	104 Å²	104	149 Å²	149	73%	0.727	78%	0.781	S	S	*	*			cis	-167.1	150.4	-26.3	-102.4	0	0	0	0	110.6
487	P	29.2	Very low	28.3	Very low	120 Å²	120	146 Å²	146	78%	0.779	78%	0.775	S	S	*	*			trans	-107.9	171	-175.5	40.4	-35	0	0	0	116.1
488	V	28.9	Very low	28.3	Very low	148 Å²	148	145.7 Å²	145.7	90%	0.897	78%	0.782	S	S	*	*			trans	-138.6	154.2	172.4	-179.1	0	0	0	0	110.6
489	T	30.7	Very low	28.4	Very low	130 Å²	130	148.4 Å²	148.4	80%	0.798	79%	0.793	S	S	*	*			trans	-106.1	163.5	-160.6	48	0	0	0	0	116.7
490	P	32.7	Very low	28.3	Very low	123 Å²	123	148.6 Å²	148.6	80%	0.799	79%	0.794	S	S	*	*			trans	-104.6	166.8	-179	40.3	-35.1	0	0	0	115.4
491	E	30.8	Very low	28.4	Very low	153 Å²	153	144.9 Å²	144.9	72%	0.715	79%	0.794	S	S	*	*			trans	-140.6	137.2	165.5	-81.9	-145.7	105.9	0	0	115.2
492	K	28.1	Very low	28.1	Very low	156 Å²	156	140.7 Å²	140.7	68%	0.678	79%	0.787	S	S	*	*			trans	31.5	138.1	142.7	-61	168.6	-175.8	148.2	0	122.2
493	C	23.9	Very low	28.1	Very low	132 Å²	132	143.6 Å²	143.6	89%	0.892	80%	0.795	S	S	*	*				-148.6	144.1	126	-153.1	0	0	0	0	112.1
494	Q	27	Very low	27.9	Very low	144 Å²	144	139.6 Å²	139.6	67%	0.673	78%	0.784	S	S	*	*			trans	-158	152	-166.8	-69.5	179.9	-106.2	0	0	108.6
495	T	26.3	Very low	28.1	Very low	124 Å²	124	138.7 Å²	138.7	76%	0.761	79%	0.785	S	S	*	*			cis	-162.6	153.1	-7.7	13.9	0	0	0	0	107.4
496	L	27.5	Very low	27.9	Very low	176 Å²	176	134.8 Å²	134.8	92%	0.921	78%	0.779	S	S	*	*			trans	-149.1	143.3	168.3	-109.1	168.2	0	0	0	112.7
497	S	24.9	Very low	27.8	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	78%	0.784	S	S	*	*			trans	-148.9	148.6	-172.6	52.9	0	0	0	0	110.6
498	C	25	Very low	27.5	Very low	128 Å²	128	137.2 Å²	137.2	87%	0.865	79%	0.785	S	S	*	*			trans	-151.6	160.2	164.6	-97.3	0	0	0	0	109.8
499	D	31.7	Very low	27.4	Very low	158 Å²	158	138 Å²	138	85%	0.845	78%	0.776	S	S	*	*			trans	-105.5	167.8	-153.4	-68.6	-76.4	0	0	0	117.9
500	Q	28.7	Very low	27.1	Very low	166 Å²	166	137.1 Å²	137.1	78%	0.776	78%	0.776	S	S	*	*			trans	-37	164.9	162.8	-82.6	-118.9	-23.5	0	0	117
501	P	31.3	Very low	26.8	Very low	124 Å²	124	139 Å²	139	81%	0.805	77%	0.768	S	S	*	*			cis	-141.8	-177.6	43.8	41	-20.1	0	0	0	118.5
502	A	24.9	Very low	26.7	Very low	73 Å²	73	137.5 Å²	137.5	60%	0.603	77%	0.771	S	S	*	*			trans	-86.6	157	-166	0	0	0	0	0	115.8
503	I	29	Very low	26.6	Very low	172 Å²	172	138 Å²	138	88%	0.882	77%	0.773	S	S	*	*			trans	-117.5	131.6	147.9	-70.4	163.1	0	0	0	106.6
504	T	24.2	Very low	26.7	Very low	114 Å²	114	139.9 Å²	139.9	70%	0.699	77%	0.769	S	S	*	*			trans	-93	135.8	176.4	50.8	0	0	0	0	110.6
505	D	28.1	Very low	26.8	Very low	151 Å²	151	140.1 Å²	140.1	81%	0.807	78%	0.78	S	S	*	*			trans	-150.4	164.8	146.9	-125.1	-35.9	0	0	0	113.6
506	N	25	Very low	26.9	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	77%	0.774	S	S	*	*			trans	-111.2	122.4	-150.5	-61.4	-92.8	0	0	0	114.3
507	L	26.5	Very low	26.8	Very low	162 Å²	162	137.7 Å²	137.7	85%	0.848	77%	0.769	S	S	*	*			trans	-155.7	76.5	158.7	-113.3	169.7	0	0	0	111.6	F509	L507-F509 PolarHBondContact O-N 2.72Å
508	S	23.6	Very low	26.9	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	77%	0.772	S	S	*	*			trans	-87.7	73.4	-172.4	44	0	0	0	0	114	S510	S508-S510 VanDerWaalsContact C-N 3.33Å; S508-S510 PolarHBondContact O-N 2.91Å
509	F	26	Very low	26.9	Very low	164 Å²	164	141.4 Å²	141.4	72%	0.719	77%	0.768	S	S	*	*			trans	-77.7	79.7	171.6	-120.9	-74.9	0	0	0	112.1	L507 Y511	L507-F509 PolarHBondContact O-N 2.72Å; F509-Y511 AromaticContact CD1-CD2 3.95Å; F509-Y511 HydrophobicContact CD1-CD2 3.95Å; F509-Y511 AromaticContact CD1-CE2 3.5Å; F509-Y511 HydrophobicContact CD1-CE2 3.5Å; F509-Y511 VanDerWaalsContact CD1-CE2 3.5Å; F509-Y511 HydrophobicContact CE1-CD2 4.46Å; F509-Y511 AromaticContact CE1-CE2 3.59Å; F509-Y511 HydrophobicContact CE1-CE2 3.59Å; F509-Y511 PolarHBondContact O-N 3.35Å; F509-Y511 VanDerWaalsContact O-N 3.15Å
510	S	23.7	Very low	26.8	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	77%	0.769	S	S	*	*			trans	-81	89.1	-179.2	-169.4	0	0	0	0	112.2	S508	S508-S510 VanDerWaalsContact C-N 3.33Å; S508-S510 PolarHBondContact O-N 2.91Å
511	Y	27.2	Very low	26.7	Very low	163 Å²	163	139.5 Å²	139.5	64%	0.639	77%	0.773	S	S	*	*			trans	-87.6	137.5	156.2	-76	-72.9	0	0	0	109.6	F509 K513	F509-Y511 AromaticContact CD1-CD2 3.95Å; F509-Y511 HydrophobicContact CD1-CD2 3.95Å; F509-Y511 AromaticContact CD1-CE2 3.5Å; F509-Y511 HydrophobicContact CD1-CE2 3.5Å; F509-Y511 VanDerWaalsContact CD1-CE2 3.5Å; F509-Y511 HydrophobicContact CE1-CD2 4.46Å; F509-Y511 AromaticContact CE1-CE2 3.59Å; F509-Y511 HydrophobicContact CE1-CE2 3.59Å; F509-Y511 PolarHBondContact O-N 3.35Å; F509-Y511 VanDerWaalsContact O-N 3.15Å; Y511-K513 PolarHBondContact O-N 3.17Å; Y511-K513 VanDerWaalsContact O-N 3.12Å
512	P	27.8	Very low	26.8	Very low	120 Å²	120	141 Å²	141	78%	0.779	77%	0.774	S	S	*	*			trans	-70.6	110.7	-168.7	26.2	-33.8	0	0	0	112.4
513	K	25.8	Very low	26.9	Very low	166 Å²	166	143.9 Å²	143.9	72%	0.722	79%	0.785	S	S	*	*			trans	-64.5	151.2	164.3	-67.2	-160.8	172.7	-152.4	0	110.2	Y511 E729	Y511-K513 PolarHBondContact O-N 3.17Å; Y511-K513 VanDerWaalsContact O-N 3.12Å; K513-E729 IonicContact NZ-OE1 3.05Å; K513-E729 PolarHBondContact NZ-OE1 3.05Å
514	H	27	Very low	27	Very low	173 Å²	173	140.6 Å²	140.6	80%	0.801	77%	0.772	S	S	*	*			trans	60.9	105.5	-179.3	-84.6	-102.8	0	0	0	116.9
515	V	29	Very low	27.5	Very low	148 Å²	148	142.7 Å²	142.7	90%	0.897	77%	0.774	S	S	*	*			trans	-102.6	111	138.6	176.6	0	0	0	0	107.2
516	S	27	Very low	27.8	Very low	91 Å²	91	141.9 Å²	141.9	64%	0.636	77%	0.769	S	S	*	*			trans	-68.6	149.7	179.2	-169.1	0	0	0	0	111.6	M518	S516-M518 PolarHBondContact O-N 3.49Å; S516-M518 VanDerWaalsContact O-N 3.07Å
517	I	25.3	Very low	29.2	Very low	159 Å²	159	141.9 Å²	141.9	82%	0.815	77%	0.769	S	S	*	*	S	Bend	trans	-75.9	91.1	165.3	-57.4	173.4	0	0	0	108
518	M	27.5	Very low	30.8	Very low	162 Å²	162	137.6 Å²	137.6	80%	0.798	75%	0.752	S	S	*	*			trans	-177.4	141.8	147.3	-103.4	157.7	179	0	0	112.8	S516	S516-M518 PolarHBondContact O-N 3.49Å; S516-M518 VanDerWaalsContact O-N 3.07Å
519	D	25.4	Very low	33.3	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	74%	0.744	S	S	*	*			trans	38.7	101.1	153.6	-56.5	-17.9	0	0	0	120.4
520	S	30.5	Very low	36.2	Very low	122 Å²	122	131.9 Å²	131.9	85%	0.853	72%	0.721	S	S	*	*				-173.2	166	108.7	36.8	0	0	0	0	112.3	D522	S520-D522 PolarHBondContact O-N 3.01Å
521	N	26.1	Very low	39.3	Very low	162 Å²	162	128.7 Å²	128.7	87%	0.866	70%	0.697	S	S	*	*			trans	-79.2	117.4	-175.6	-56.4	-82.9	0	0	0	111.3
522	D	32.7	Very low	42.3	Very low	155 Å²	155	125.3 Å²	125.3	83%	0.829	69%	0.693	S	S	*	*			trans	-141.9	131.2	154.8	-129.2	-32.6	0	0	0	111.5	S520	S520-D522 PolarHBondContact O-N 3.01Å
523	T	27.2	Very low	45.3	Very low	135 Å²	135	125 Å²	125	83%	0.828	68%	0.682	S	S	*	*			trans	-121.5	74.8	-166.2	56.3	0	0	0	0	112.6
524	V	32.4	Very low	48.4	Very low	102 Å²	102	117.3 Å²	117.3	62%	0.618	65%	0.648	S	S	*	*			trans	-133.7	124.8	165.6	-167.9	0	0	0	0	109.9	N526	V524-N526 VanDerWaalsContact C-N 3.28Å; V524-N526 WeakPolarHBondContact CG1-OD1 3.45Å; V524-N526 PolarHBondContact O-N 3.31Å
525	H	33.4	Very low	51.6	Low	158 Å²	158	111.3 Å²	111.3	73%	0.731	62%	0.621	S	S	*	*			trans	-77.2	84.4	165.1	-114.1	-68.2	0	0	0	107.8	R132 D527	R132-H525 PolarHBondContact NH2-NE2 3.05Å; H525-D527 PolarHBondContact O-N 2.97Å
526	N	35.6	Very low	54.7	Low	134 Å²	134	109 Å²	109	72%	0.717	60%	0.603	S	S	*	*			trans	-82.9	104.8	170.8	-76.6	-31	0	0	0	108.9	V524 C528	V524-N526 VanDerWaalsContact C-N 3.28Å; V524-N526 WeakPolarHBondContact CG1-OD1 3.45Å; V524-N526 PolarHBondContact O-N 3.31Å; N526-C528 PolarHBondContact O-N 2.91Å
527	D	52.6	Low	57.9	Low	132 Å²	132	106.5 Å²	106.5	71%	0.706	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-57.4	118.1	156.8	-75	-17.4	0	0	0	106.8	H525 P529	H525-D527 PolarHBondContact O-N 2.97Å; D527-P529 WeakPolarHBondContact O-CD 3.23Å
528	C	60.1	Low	61.2	Low	72 Å²	72	99 Å²	99	49%	0.486	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-60.9	121.3	173.9	-172.5	0	0	0	0	108.1	N526	N526-C528 PolarHBondContact O-N 2.91Å
529	P	76.8	Confident	64.4	Low	95 Å²	95	95.2 Å²	95.2	62%	0.617	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-65.2	145.7	-174.6	27.6	-34.9	0	0	0	110.2	D527 T531	D527-P529 WeakPolarHBondContact O-CD 3.23Å; P529-T531 WeakPolarHBondContact O-CG2 3.45Å; P529-T531 PolarHBondContact O-N 3.48Å
530	W	86.2	Confident	67.6	Low	62 Å²	62	90.4 Å²	90.4	24%	0.235	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-60.9	121.3	172.6	179.1	-87.7	0	0	0	110.1	D534 Q535 V538 R744 Y745 R748	W530-D534 HydrophobicContact CD2-CB 3.89Å; W530-D534 HydrophobicContact CE3-CB 3.91Å; W530-D534 HydrophobicContact CH2-CB 3.64Å; W530-D534 HydrophobicContact CZ2-CB 3.65Å; W530-D534 HydrophobicContact CZ3-CB 3.75Å; W530-Q535 HydrophobicContact CZ2-CB 4.15Å; W530-V538 HydrophobicContact CH2-CG2 3.86Å; W530-R744 HydrophobicContact CE3-CB 3.99Å; W530-R744 HydrophobicContact CZ3-CB 4.11Å; W530-Y745 AromaticContact CH2-CD2 3.72Å; W530-Y745 HydrophobicContact CH2-CD2 3.72Å; W530-Y745 HydrophobicContact CH2-CG 4.36Å; W530-Y745 HydrophobicContact CZ2-CD2 4.47Å; W530-Y745 VanDerWaalsContact CZ3-CA 3.49Å; W530-Y745 HydrophobicContact CZ3-CD2 4.21Å; W530-R748 VanDerWaalsContact NE1-CZ 3.32Å
531	T	89.1	Confident	70.7	Confident	46 Å²	46	84.6 Å²	84.6	28%	0.282	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-94.9	171.4	-173.5	64.3	0	0	0	0	112.3	P529 E533 D534 Q535	P529-T531 WeakPolarHBondContact O-CG2 3.45Å; P529-T531 PolarHBondContact O-N 3.48Å; T531-E533 VanDerWaalsContact C-N 3.29Å; T531-E533 WeakPolarHBondContact CB-OE2 3.3Å; T531-D534 WeakPolarHBondContact CB-OD2 3.48Å; T531-D534 PolarHBondContact N-OD2 3.12Å; T531-D534 WeakPolarHBondContact OG1-CB 3.24Å; T531-D534 PolarHBondContact OG1-N 3.16Å; T531-D534 PolarHBondContact OG1-OD2 3.4Å; T531-Q535 PolarHBondContact O-N 3.05Å
532	T	90.9	Very high	73.9	Confident	91 Å²	91	78.5 Å²	78.5	56%	0.558	43%	0.432	S	S	*	.	H	α-helix	trans	-73	-33.3	170.7	-52	0	0	0	0	109.8	Q535 N536	T532-Q535 WeakPolarHBondContact O-CB 3.46Å; T532-Q535 PolarHBondContact O-N 3.44Å; T532-Q535 VanDerWaalsContact O-N 3.14Å; T532-N536 VanDerWaalsContact O-CG 3.25Å; T532-N536 PolarHBondContact O-N 2.54Å; T532-N536 PolarHBondContact O-OD1 3.29Å
533	E	90.5	Very high	76.7	Confident	115 Å²	115	77.2 Å²	77.2	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-42.8	178.4	-64.1	65.5	-150.4	0	0	110.8	T531 Q535 M537	T531-E533 VanDerWaalsContact C-N 3.29Å; T531-E533 WeakPolarHBondContact CB-OE2 3.3Å; E533-Q535 VanDerWaalsContact C-N 3.32Å; E533-Q535 PolarHBondContact O-N 3.17Å; E533-M537 VanDerWaalsContact O-CB 3.25Å; E533-M537 WeakPolarHBondContact O-CB 3.39Å; E533-M537 PolarHBondContact O-N 3.44Å
534	D	92.3	Very high	79.7	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-56	-45.8	168.9	-70.7	-53.5	0	0	0	111.6	W530 T531 M537 V538 T741 R744	W530-D534 HydrophobicContact CD2-CB 3.89Å; W530-D534 HydrophobicContact CE3-CB 3.91Å; W530-D534 HydrophobicContact CH2-CB 3.64Å; W530-D534 HydrophobicContact CZ2-CB 3.65Å; W530-D534 HydrophobicContact CZ3-CB 3.75Å; T531-D534 WeakPolarHBondContact CB-OD2 3.48Å; T531-D534 PolarHBondContact N-OD2 3.12Å; T531-D534 WeakPolarHBondContact OG1-CB 3.24Å; T531-D534 PolarHBondContact OG1-N 3.16Å; T531-D534 PolarHBondContact OG1-OD2 3.4Å; D534-M537 PolarHBondContact O-N 3.48Å; D534-V538 WeakPolarHBondContact O-CG2 3.29Å; D534-V538 PolarHBondContact O-N 3.1Å; D534-T741 HydrophobicContact CB-CG2 4.33Å; D534-T741 PolarHBondContact OD1-OG1 3.5Å; D534-R744 VanDerWaalsContact CG-NE 3.33Å; D534-R744 IonicContact OD1-CZ 2.7Å; D534-R744 IonicContact OD1-NE 2.66Å; D534-R744 PolarHBondContact OD1-NE 3.4Å; D534-R744 IonicContact OD1-NH2 3.27Å; D534-R744 PolarHBondContact OD1-NH2 2.85Å; D534-R744 IonicContact OD2-CZ 3.63Å; D534-R744 IonicContact OD2-NE 2.76Å; D534-R744 PolarHBondContact OD2-NE 2.97Å; D534-R744 IonicContact OD2-NH2 3.63Å
535	Q	93.6	Very high	82.5	Confident	48 Å²	48	66.2 Å²	66.2	22%	0.224	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-50.9	-177.3	-169.1	60.6	65.6	0	0	111.1	W530 T531 T532 E533 M537 V538 D539	W530-Q535 HydrophobicContact CZ2-CB 4.15Å; T531-Q535 PolarHBondContact O-N 3.05Å; T532-Q535 WeakPolarHBondContact O-CB 3.46Å; T532-Q535 PolarHBondContact O-N 3.44Å; T532-Q535 VanDerWaalsContact O-N 3.14Å; E533-Q535 VanDerWaalsContact C-N 3.32Å; E533-Q535 PolarHBondContact O-N 3.17Å; Q535-M537 VanDerWaalsContact C-N 3.28Å; Q535-M537 PolarHBondContact O-N 2.97Å; Q535-V538 PolarHBondContact O-N 2.89Å; Q535-D539 WeakPolarHBondContact CG-OD2 3.47Å; Q535-D539 PolarHBondContact NE2-OD1 3.04Å; Q535-D539 PolarHBondContact NE2-OD2 3.41Å; Q535-D539 WeakPolarHBondContact O-CB 3.48Å; Q535-D539 PolarHBondContact O-N 2.96Å
536	N	93.3	Very high	85.1	Confident	100 Å²	100	60.5 Å²	60.5	54%	0.535	33%	0.332	S	S	.	.	H	α-helix	trans	-58.9	-39.3	176.9	-64.5	-14.2	0	0	0	111.9	T532 S540	T532-N536 VanDerWaalsContact O-CG 3.25Å; T532-N536 PolarHBondContact O-N 2.54Å; T532-N536 PolarHBondContact O-OD1 3.29Å; N536-S540 VanDerWaalsContact O-CB 3.28Å; N536-S540 WeakPolarHBondContact O-CB 3.42Å; N536-S540 PolarHBondContact O-N 3.19Å
537	M	94	Very high	87.2	Confident	38 Å²	38	58.6 Å²	58.6	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-47.9	176.6	-178.1	178.3	-61.4	0	0	112.2	E533 D534 Q535 I541 P597 I737 L738 T741	E533-M537 VanDerWaalsContact O-CB 3.25Å; E533-M537 WeakPolarHBondContact O-CB 3.39Å; E533-M537 PolarHBondContact O-N 3.44Å; D534-M537 PolarHBondContact O-N 3.48Å; Q535-M537 VanDerWaalsContact C-N 3.28Å; Q535-M537 PolarHBondContact O-N 2.97Å; M537-I541 HydrophobicContact CG-CD1 3.9Å; M537-I541 WeakPolarHBondContact O-CD1 3.31Å; M537-I541 VanDerWaalsContact O-CG1 3.28Å; M537-I541 WeakPolarHBondContact O-CG1 3.32Å; M537-I541 PolarHBondContact O-N 3.24Å; M537-I541 VanDerWaalsContact O-N 3.13Å; M537-P597 HydrophobicContact CE-CG 4.48Å; M537-P597 HydrophobicContact CG-CG 4.13Å; M537-I737 HydrophobicContact CE-CG2 3.73Å; M537-I737 HydrophobicContact SD-CG2 4.16Å; M537-L738 HydrophobicContact SD-CD2 4.19Å; M537-T741 HydrophobicContact CG-CG2 4.44Å; M537-T741 HydrophobicContact SD-CG2 3.87Å; M537-T741 PolarHBondContact SD-OG1 3.38Å
538	V	95.2	Very high	88.6	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-45.7	177.7	172.8	0	0	0	0	110.9	W530 D534 Q535 S540 I541 V542 T707 L711 T741 Y745	W530-V538 HydrophobicContact CH2-CG2 3.86Å; D534-V538 WeakPolarHBondContact O-CG2 3.29Å; D534-V538 PolarHBondContact O-N 3.1Å; Q535-V538 PolarHBondContact O-N 2.89Å; V538-S540 PolarHBondContact O-N 2.91Å; V538-I541 PolarHBondContact O-N 3.4Å; V538-V542 HydrophobicContact CG1-CG2 4.17Å; V538-V542 WeakPolarHBondContact O-CB 3.38Å; V538-V542 VanDerWaalsContact O-CG2 3.27Å; V538-V542 WeakPolarHBondContact O-CG2 3.49Å; V538-V542 PolarHBondContact O-N 3.44Å; V538-T707 HydrophobicContact CG1-CG2 3.48Å; V538-T707 VanDerWaalsContact CG1-CG2 3.48Å; V538-L711 HydrophobicContact CG1-CD1 4.47Å; V538-L711 HydrophobicContact CG2-CD1 4.12Å; V538-L711 HydrophobicContact CG2-CD2 4.08Å; V538-T741 HydrophobicContact CG2-CG2 3.97Å; V538-Y745 HydrophobicContact CG1-CD2 4.14Å; V538-Y745 HydrophobicContact CG1-CE2 4.04Å; V538-Y745 HydrophobicContact CG2-CD2 4.19Å
539	D	94.1	Very high	89.4	Confident	81 Å²	81	51.3 Å²	51.3	43%	0.433	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-39	-176.8	-64.7	-27.7	0	0	0	111.7	Q535 V542 Q543	Q535-D539 WeakPolarHBondContact CG-OD2 3.47Å; Q535-D539 PolarHBondContact NE2-OD1 3.04Å; Q535-D539 PolarHBondContact NE2-OD2 3.41Å; Q535-D539 WeakPolarHBondContact O-CB 3.48Å; Q535-D539 PolarHBondContact O-N 2.96Å; D539-V542 PolarHBondContact O-N 2.85Å; D539-Q543 WeakPolarHBondContact O-CB 3.35Å; D539-Q543 PolarHBondContact O-N 2.97Å
540	S	93.2	Very high	88.9	Confident	45 Å²	45	51 Å²	51	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-49.8	172.1	-178.7	0	0	0	0	112.2	N536 V538 V542 Q543 A544	N536-S540 VanDerWaalsContact O-CB 3.28Å; N536-S540 WeakPolarHBondContact O-CB 3.42Å; N536-S540 PolarHBondContact O-N 3.19Å; V538-S540 PolarHBondContact O-N 2.91Å; S540-V542 VanDerWaalsContact C-N 3.32Å; S540-V542 PolarHBondContact O-N 2.75Å; S540-Q543 PolarHBondContact O-N 3.02Å; S540-A544 WeakPolarHBondContact O-CB 3.34Å; S540-A544 PolarHBondContact O-N 3.41Å
541	I	95.6	Very high	87.4	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-37.5	-179.9	-68.1	166.4	0	0	0	111.2	M537 V538 Y545 F592 A710 L711 L738	M537-I541 HydrophobicContact CG-CD1 3.9Å; M537-I541 WeakPolarHBondContact O-CD1 3.31Å; M537-I541 VanDerWaalsContact O-CG1 3.28Å; M537-I541 WeakPolarHBondContact O-CG1 3.32Å; M537-I541 PolarHBondContact O-N 3.24Å; M537-I541 VanDerWaalsContact O-N 3.13Å; V538-I541 PolarHBondContact O-N 3.4Å; I541-Y545 VanDerWaalsContact O-CB 3.26Å; I541-Y545 WeakPolarHBondContact O-CB 3.49Å; I541-Y545 PolarHBondContact O-N 3.41Å; I541-F592 HydrophobicContact CG2-CE2 4.4Å; I541-A710 HydrophobicContact CG2-CB 4.1Å; I541-A710 WeakPolarHBondContact CG2-O 3.44Å; I541-L711 HydrophobicContact CD1-CD2 4.03Å; I541-L711 HydrophobicContact CG2-CD2 4.28Å; I541-L738 HydrophobicContact CD1-CD2 3.58Å
542	V	94	Very high	85.2	Confident	35 Å²	35	54.2 Å²	54.2	21%	0.212	30%	0.303	C	S	.	.	H	α-helix	trans	-67.8	-41.5	175.5	169.6	0	0	0	0	111.8	V538 D539 S540 Y545 S546 T707 A710	V538-V542 HydrophobicContact CG1-CG2 4.17Å; V538-V542 WeakPolarHBondContact O-CB 3.38Å; V538-V542 VanDerWaalsContact O-CG2 3.27Å; V538-V542 WeakPolarHBondContact O-CG2 3.49Å; V538-V542 PolarHBondContact O-N 3.44Å; D539-V542 PolarHBondContact O-N 2.85Å; S540-V542 VanDerWaalsContact C-N 3.32Å; S540-V542 PolarHBondContact O-N 2.75Å; V542-Y545 PolarHBondContact O-N 3.43Å; V542-S546 WeakPolarHBondContact O-CB 3.39Å; V542-S546 PolarHBondContact O-N 2.96Å; V542-S546 PolarHBondContact O-OG 2.94Å; V542-T707 HydrophobicContact CG2-CG2 3.53Å; V542-A710 HydrophobicContact CG2-CB 4.16Å
543	Q	90.9	Very high	82.8	Confident	127 Å²	127	55.8 Å²	55.8	59%	0.593	30%	0.302	S	S	*	.	H	α-helix	trans	-63.4	-47.2	175.6	-172.6	178.5	13.1	0	0	110.6	D539 S540 Y545 S546 N547	D539-Q543 WeakPolarHBondContact O-CB 3.35Å; D539-Q543 PolarHBondContact O-N 2.97Å; S540-Q543 PolarHBondContact O-N 3.02Å; Q543-Y545 PolarHBondContact O-N 3Å; Q543-S546 PolarHBondContact O-N 3.08Å; Q543-N547 VanDerWaalsContact O-CG 3.29Å; Q543-N547 PolarHBondContact O-N 3.47Å
544	A	90.1	Very high	80.1	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-57.1	-47.6	175.6	0	0	0	0	0	112	S540 S546 N547 M548 F592 L595	S540-A544 WeakPolarHBondContact O-CB 3.34Å; S540-A544 PolarHBondContact O-N 3.41Å; A544-S546 VanDerWaalsContact C-N 3.31Å; A544-S546 PolarHBondContact O-N 2.64Å; A544-N547 PolarHBondContact O-N 3.26Å; A544-M548 PolarHBondContact O-N 2.94Å; A544-F592 HydrophobicContact CB-CD2 3.73Å; A544-F592 HydrophobicContact CB-CE2 4.17Å; A544-L595 HydrophobicContact CB-CB 3.55Å; A544-L595 HydrophobicContact CB-CD1 3.67Å; A544-L595 HydrophobicContact CB-CG 4.25Å
545	Y	91.1	Very high	77.2	Confident	6 Å²	6	68.6 Å²	68.6	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-33.3	178.7	-174.5	-103.1	0	0	0	112.6	I541 V542 Q543 M548 L549 F592 Q706 V709 A710 T713	I541-Y545 VanDerWaalsContact O-CB 3.26Å; I541-Y545 WeakPolarHBondContact O-CB 3.49Å; I541-Y545 PolarHBondContact O-N 3.41Å; V542-Y545 PolarHBondContact O-N 3.43Å; Q543-Y545 PolarHBondContact O-N 3Å; Y545-M548 HydrophobicContact CD2-CE 3.52Å; Y545-M548 HydrophobicContact CE2-CE 3.42Å; Y545-M548 VanDerWaalsContact CE2-CE 3.42Å; Y545-L549 HydrophobicContact CD1-CD1 3.81Å; Y545-L549 HydrophobicContact CE1-CD1 3.5Å; Y545-L549 HydrophobicContact CE1-CG 4.25Å; Y545-L549 WeakPolarHBondContact O-CB 3.22Å; Y545-L549 PolarHBondContact O-N 3.45Å; Y545-F592 HydrophobicContact CD2-CE2 4.33Å; Y545-Q706 HydrophobicContact CD1-CG 4.47Å; Y545-Q706 HydrophobicContact CE1-CG 4.18Å; Y545-V709 HydrophobicContact CE1-CG1 4.23Å; Y545-V709 HydrophobicContact CE2-CG1 4.38Å; Y545-V709 WeakPolarHBondContact OH-CG1 3.1Å; Y545-A710 HydrophobicContact CD1-CB 3.85Å; Y545-A710 HydrophobicContact CD2-CB 4.35Å; Y545-A710 HydrophobicContact CG-CB 3.68Å; Y545-T713 HydrophobicContact CD2-CG2 4.02Å; Y545-T713 HydrophobicContact CE2-CG2 4.08Å; Y545-T713 WeakPolarHBondContact CE2-OG1 3.43Å
546	S	87.4	Confident	74.2	Confident	38 Å²	38	75.7 Å²	75.7	27%	0.266	38%	0.38	S	S	.	.	H	α-helix	trans	-72.5	-35.1	176.3	-57.8	0	0	0	0	112.6	V542 Q543 A544 L549 N550	V542-S546 WeakPolarHBondContact O-CB 3.39Å; V542-S546 PolarHBondContact O-N 2.96Å; V542-S546 PolarHBondContact O-OG 2.94Å; Q543-S546 PolarHBondContact O-N 3.08Å; A544-S546 VanDerWaalsContact C-N 3.31Å; A544-S546 PolarHBondContact O-N 2.64Å; S546-L549 WeakPolarHBondContact O-CB 3.31Å; S546-L549 PolarHBondContact O-N 3.3Å; S546-N550 PolarHBondContact O-N 2.98Å
547	N	80.2	Confident	71.1	Confident	94 Å²	94	79.9 Å²	79.9	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-68.8	-40.5	172.2	-66.1	-15.4	0	0	0	111.3	Q543 A544 L549 N550	Q543-N547 VanDerWaalsContact O-CG 3.29Å; Q543-N547 PolarHBondContact O-N 3.47Å; A544-N547 PolarHBondContact O-N 3.26Å; N547-L549 PolarHBondContact O-N 3.09Å; N547-N550 CarbonylContact O-C 3.59Å; N547-N550 VanDerWaalsContact O-C 3.29Å; N547-N550 PolarHBondContact O-N 3.37Å
548	M	82.9	Confident	68.2	Low	17 Å²	17	84.1 Å²	84.1	8%	0.084	42%	0.422	C	S	.	.	H	α-helix	trans	-63.7	-30.3	173.9	-172.6	-172.3	76.8	0	0	113	A544 Y545 S588 L589 F592 I618 T713	A544-M548 PolarHBondContact O-N 2.94Å; Y545-M548 HydrophobicContact CD2-CE 3.52Å; Y545-M548 HydrophobicContact CE2-CE 3.42Å; Y545-M548 VanDerWaalsContact CE2-CE 3.42Å; M548-S588 WeakPolarHBondContact CG-O 3.36Å; M548-L589 HydrophobicContact SD-CB 4.46Å; M548-L589 HydrophobicContact SD-CD1 4.05Å; M548-F592 HydrophobicContact CB-CB 4.02Å; M548-F592 HydrophobicContact CG-CB 4.08Å; M548-F592 HydrophobicContact SD-CB 3.61Å; M548-F592 HydrophobicContact SD-CD1 4.24Å; M548-F592 HydrophobicContact SD-CD2 4.4Å; M548-F592 HydrophobicContact SD-CG 3.83Å; M548-I618 HydrophobicContact CE-CG2 4.23Å; M548-T713 HydrophobicContact CE-CG2 4.45Å
549	L	76.5	Confident	65.2	Low	33 Å²	33	90.9 Å²	90.9	17%	0.173	46%	0.459	C	S	.	.	H	α-helix	trans	-69.4	-39	175.3	-99	162	0	0	0	112.8	Y545 S546 N547 P551 Q706 L827	Y545-L549 HydrophobicContact CD1-CD1 3.81Å; Y545-L549 HydrophobicContact CE1-CD1 3.5Å; Y545-L549 HydrophobicContact CE1-CG 4.25Å; Y545-L549 WeakPolarHBondContact O-CB 3.22Å; Y545-L549 PolarHBondContact O-N 3.45Å; S546-L549 WeakPolarHBondContact O-CB 3.31Å; S546-L549 PolarHBondContact O-N 3.3Å; N547-L549 PolarHBondContact O-N 3.09Å; L549-P551 VanDerWaalsContact C-CD 3.49Å; L549-P551 WeakPolarHBondContact O-CD 3.41Å; L549-Q706 VanDerWaalsContact CD1-NE2 3.27Å; L549-L827 HydrophobicContact CD2-CD1 4.5Å
550	N	65.6	Low	62.1	Low	90 Å²	90	90.5 Å²	90.5	48%	0.481	47%	0.474	S	S	.	.			trans	-126.6	70.1	-172.8	-59.5	-55.4	0	0	0	110.4	S546 N547 S552	S546-N550 PolarHBondContact O-N 2.98Å; N547-N550 CarbonylContact O-C 3.59Å; N547-N550 VanDerWaalsContact O-C 3.29Å; N547-N550 PolarHBondContact O-N 3.37Å; N550-S552 PolarHBondContact O-N 3.01Å
551	P	54.5	Low	59.4	Low	60 Å²	60	96.5 Å²	96.5	39%	0.39	50%	0.503	S	S	.	.			trans	-65.3	100.4	173.7	27.5	-33.3	0	0	0	109.2	L549 F553 S588	L549-P551 VanDerWaalsContact C-CD 3.49Å; L549-P551 WeakPolarHBondContact O-CD 3.41Å; P551-F553 PolarHBondContact O-N 3.4Å; P551-S588 WeakPolarHBondContact CB-OG 3.18Å
552	S	44.1	Very low	56.4	Low	115 Å²	115	102.9 Å²	102.9	80%	0.804	54%	0.541	S	S	*	.			trans	-46.5	101.4	-179.2	-70.1	0	0	0	0	111.1	N550 K554	N550-S552 PolarHBondContact O-N 3.01Å; S552-K554 PolarHBondContact O-N 2.96Å
553	F	40	Very low	53.4	Low	124 Å²	124	107.2 Å²	107.2	54%	0.544	56%	0.563	S	S	.	*			trans	-77.3	72.2	-164.8	-156.1	-90.5	0	0	0	110.7	P551 R555	P551-F553 PolarHBondContact O-N 3.4Å; F553-R555 HydrophobicContact CD1-CG 3.74Å; F553-R555 HydrophobicContact CE1-CG 3.67Å; F553-R555 PolarHBondContact O-N 2.91Å
554	K	34.2	Very low	50.9	Low	197 Å²	197	109.3 Å²	109.3	86%	0.857	57%	0.57	S	S	*	*			trans	-75.1	58.9	-170	-157.9	175	-171.5	176.4	0	111.3	S552 K556	S552-K554 PolarHBondContact O-N 2.96Å; K554-K556 PolarHBondContact O-N 2.99Å
555	R	31.4	Very low	48.1	Very low	190 Å²	190	115.7 Å²	115.7	72%	0.717	60%	0.6	S	S	*	*			trans	-50.4	104.6	163.7	-87.5	179.1	-72.9	-178.5	-6.1	107.8	F553 M557	F553-R555 HydrophobicContact CD1-CG 3.74Å; F553-R555 HydrophobicContact CE1-CG 3.67Å; F553-R555 PolarHBondContact O-N 2.91Å; R555-M557 VanDerWaalsContact C-N 3.33Å; R555-M557 PolarHBondContact O-N 3.26Å
556	K	29.5	Very low	45.1	Very low	196 Å²	196	121.8 Å²	121.8	85%	0.852	64%	0.64	S	S	*	*			trans	-61.8	104.5	154.3	-73.1	-175.5	175.2	-177.2	0	105.8	K554 D558	K554-K556 PolarHBondContact O-N 2.99Å; K556-D558 PolarHBondContact O-N 2.93Å; K556-D558 VanDerWaalsContact O-N 3.13Å
557	M	27.9	Very low	42.4	Very low	188 Å²	188	128.3 Å²	128.3	93%	0.926	67%	0.667	S	S	*	*			trans	-69.2	103	163.3	-68.3	179.1	67.2	0	0	106.2	R555	R555-M557 VanDerWaalsContact C-N 3.33Å; R555-M557 PolarHBondContact O-N 3.26Å
558	D	33.3	Very low	40.1	Very low	127 Å²	127	131.7 Å²	131.7	68%	0.679	68%	0.677	S	S	*	*			trans	-130.3	103.2	175.5	-156.4	18.7	0	0	0	108.4	K556	K556-D558 PolarHBondContact O-N 2.93Å; K556-D558 VanDerWaalsContact O-N 3.13Å
559	N	32.6	Very low	37.6	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	70%	0.701	S	S	*	*			trans	51.2	92.4	161.6	-49.7	-38.4	0	0	0	118.9
560	G	29.2	Very low	35.2	Very low	73 Å²	73	141 Å²	141	75%	0.753	73%	0.729	S	S	*	*				46.8	110.5	119.2	0	0	0	0	0	120.2
561	D	35.6	Very low	33.4	Very low	171 Å²	171	147.4 Å²	147.4	91%	0.914	75%	0.748	S	S	*	*				-148.9	146.9	114.6	-116.7	-26.1	0	0	0	110
562	V	33.5	Very low	32.1	Very low	133 Å²	133	148.5 Å²	148.5	81%	0.806	76%	0.757	S	S	*	*			trans	-126.8	111	-179.9	174.6	0	0	0	0	109.2
563	D	32	Very low	31.5	Very low	127 Å²	127	146.1 Å²	146.1	68%	0.679	74%	0.74	S	S	*	*			trans	-169.4	140.3	151.1	-117.2	-26.4	0	0	0	116.7
564	K	37	Very low	31.3	Very low	171 Å²	171	142.4 Å²	142.4	74%	0.743	73%	0.728	S	S	*	*			trans	78.7	141.1	150.2	-61.7	168.3	178.5	91.7	0	122.7
565	E	31.1	Very low	31.5	Very low	135 Å²	135	136.7 Å²	136.7	63%	0.631	71%	0.707	S	S	*	*			trans	61.7	86.7	161.2	-76.8	-89.1	118.4	0	0	120.4	K568	E565-K568 IonicContact OE2-NZ 2.62Å; E565-K568 PolarHBondContact OE2-NZ 3.3Å
566	P	29.7	Very low	31.8	Very low	133 Å²	133	131 Å²	131	86%	0.864	70%	0.697	S	S	*	*			trans	-101.7	41.9	176.5	40.7	-35.9	0	0	0	115.4
567	E	30.6	Very low	32.5	Very low	176 Å²	176	128 Å²	128	82%	0.822	68%	0.68	S	S	*	*	S	Bend	trans	-135.3	-5	-175.4	-138.5	171	-136.4	0	0	117.4
568	K	30.8	Very low	33.2	Very low	165 Å²	165	119.1 Å²	119.1	72%	0.717	64%	0.636	S	S	*	*	S	Bend	trans	-111.1	-0.4	-178.1	-63.4	-176.5	-172.9	96.4	0	115.5	E565 F570	E565-K568 IonicContact OE2-NZ 2.62Å; E565-K568 PolarHBondContact OE2-NZ 3.3Å; K568-F570 VanDerWaalsContact C-N 3.32Å; K568-F570 PolarHBondContact O-N 3.37Å
569	A	29.6	Very low	33.7	Very low	72 Å²	72	115.1 Å²	115.1	60%	0.595	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-78.2	-6.6	-175.6	0	0	0	0	0	115.2	Y571 S572	A569-Y571 VanDerWaalsContact C-N 3.32Å; A569-Y571 PolarHBondContact O-N 2.91Å; A569-S572 PolarHBondContact O-N 3.13Å
570	F	26.9	Very low	34.5	Very low	174 Å²	174	111.5 Å²	111.5	76%	0.763	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-70.8	-21.7	-167.4	-153	-95.1	0	0	0	114.9	K568	K568-F570 VanDerWaalsContact C-N 3.32Å; K568-F570 PolarHBondContact O-N 3.37Å
571	Y	27.3	Very low	35.4	Very low	223 Å²	223	110.6 Å²	110.6	88%	0.875	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-111.5	17.1	-179.1	-75.2	-82.5	0	0	0	114	A569	A569-Y571 VanDerWaalsContact C-N 3.32Å; A569-Y571 PolarHBondContact O-N 2.91Å
572	S	28.2	Very low	36.2	Very low	83 Å²	83	103 Å²	103	58%	0.58	54%	0.539	S	S	*	.	S	Bend	trans	-101.9	107	179.6	-169.4	0	0	0	0	112.1	A569	A569-S572 PolarHBondContact O-N 3.13Å
573	S	30.3	Very low	37.4	Very low	65 Å²	65	100.2 Å²	100.2	46%	0.455	52%	0.517	S	S	.	.			trans	48.1	110.2	158.4	-169.1	0	0	0	0	118.5	D575 S576	S573-D575 PolarHBondContact O-N 2.6Å; S573-D575 VanDerWaalsContact OG-CB 3.23Å; S573-D575 WeakPolarHBondContact OG-CB 3.07Å; S573-D575 PolarHBondContact OG-N 3.27Å; S573-S576 PolarHBondContact O-OG 3.06Å
574	T	36.8	Very low	38.8	Very low	47 Å²	47	96.3 Å²	96.3	29%	0.288	50%	0.499	S	S	.	.	H	α-helix	trans	-71.9	-13.2	164.4	31.9	0	0	0	0	113.6	E811	T574-E811 HydrophobicContact CG2-CG 4.41Å; T574-E811 PolarHBondContact OG1-N 3.38Å
575	D	37.6	Very low	40	Very low	77 Å²	77	89.6 Å²	89.6	41%	0.412	47%	0.47	S	S	.	.	H	α-helix	trans	-66	-38.6	-174	-130.2	19.7	0	0	0	113.4	S573 T579 T810	S573-D575 PolarHBondContact O-N 2.6Å; S573-D575 VanDerWaalsContact OG-CB 3.23Å; S573-D575 WeakPolarHBondContact OG-CB 3.07Å; S573-D575 PolarHBondContact OG-N 3.27Å; D575-T579 PolarHBondContact O-OG1 3.29Å; D575-T810 VanDerWaalsContact CA-OG1 3.27Å; D575-T810 WeakPolarHBondContact CA-OG1 3.36Å; D575-T810 HydrophobicContact CB-CG2 4.5Å; D575-T810 VanDerWaalsContact CB-OG1 3.31Å; D575-T810 WeakPolarHBondContact CB-OG1 3.49Å; D575-T810 PolarHBondContact N-OG1 3.07Å; D575-T810 WeakPolarHBondContact OD1-CB 3.37Å; D575-T810 WeakPolarHBondContact OD1-CG2 3.46Å; D575-T810 PolarHBondContact OD1-OG1 3.03Å
576	S	37.8	Very low	41.7	Very low	71 Å²	71	84 Å²	84	50%	0.497	44%	0.444	S	S	.	.	H	α-helix	trans	-70.9	-46.4	-179.9	56.3	0	0	0	0	112.3	S573 I578 T579 S580	S573-S576 PolarHBondContact O-OG 3.06Å; S576-I578 PolarHBondContact O-N 2.97Å; S576-T579 PolarHBondContact O-N 3.08Å; S576-S580 PolarHBondContact O-N 3.25Å; S576-S580 PolarHBondContact O-OG 3.44Å
577	R	44.7	Very low	43.7	Very low	133 Å²	133	79.6 Å²	79.6	50%	0.502	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-41.4	-170.5	-58.6	-172.5	-166.5	-175.6	5.4	112.4	S580 L581	R577-S580 WeakPolarHBondContact CA-OG 3.43Å; R577-S580 PolarHBondContact O-OG 3.48Å; R577-L581 WeakPolarHBondContact O-CD1 3.4Å; R577-L581 WeakPolarHBondContact O-CG 3.14Å
578	I	41.8	Very low	45.8	Very low	1 Å²	1	71.8 Å²	71.8	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-73.6	-38.5	-176.5	-59.8	170.1	0	0	0	110.3	S576 L581 I582 T810 L813 F817 H818 F821	S576-I578 PolarHBondContact O-N 2.97Å; I578-L581 PolarHBondContact O-N 3.17Å; I578-I582 HydrophobicContact CG2-CD1 3.73Å; I578-I582 HydrophobicContact CG2-CG1 4.18Å; I578-I582 WeakPolarHBondContact O-CG1 3.42Å; I578-I582 PolarHBondContact O-N 3.12Å; I578-T810 HydrophobicContact CD1-CG2 4Å; I578-L813 HydrophobicContact CB-CD1 4.25Å; I578-L813 HydrophobicContact CD1-CB 3.99Å; I578-L813 HydrophobicContact CD1-CD1 3.86Å; I578-L813 HydrophobicContact CD1-CG 4.46Å; I578-L813 HydrophobicContact CG2-CD1 3.67Å; I578-F817 HydrophobicContact CG2-CD1 4.4Å; I578-H818 VanDerWaalsContact CG1-CE1 3.43Å; I578-H818 WeakPolarHBondContact CG1-CE1 3.47Å; I578-F821 HydrophobicContact CG2-CE2 4.34Å
579	T	45.7	Very low	48.3	Very low	42 Å²	42	64.2 Å²	64.2	26%	0.258	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-48	174.7	-51.1	0	0	0	0	111.6	V72 D575 S576 L581 I582 E583	V72-T579 HydrophobicContact CG1-CG2 4.35Å; D575-T579 PolarHBondContact O-OG1 3.29Å; S576-T579 PolarHBondContact O-N 3.08Å; T579-L581 PolarHBondContact O-N 2.99Å; T579-I582 PolarHBondContact O-N 3.27Å; T579-E583 PolarHBondContact O-N 3.33Å
580	S	47.5	Very low	50.9	Low	69 Å²	69	61 Å²	61	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-7.1	179.5	56.2	0	0	0	0	115.5	S576 R577	S576-S580 PolarHBondContact O-N 3.25Å; S576-S580 PolarHBondContact O-OG 3.44Å; R577-S580 WeakPolarHBondContact CA-OG 3.43Å; R577-S580 PolarHBondContact O-OG 3.48Å
581	L	50	Low	53.6	Low	54 Å²	54	54.5 Å²	54.5	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-119.3	-30.2	-177.2	-57.1	163.2	0	0	0	112.5	R577 I578 T579 E583 P584 F821	R577-L581 WeakPolarHBondContact O-CD1 3.4Å; R577-L581 WeakPolarHBondContact O-CG 3.14Å; I578-L581 PolarHBondContact O-N 3.17Å; T579-L581 PolarHBondContact O-N 2.99Å; L581-E583 VanDerWaalsContact C-N 3.31Å; L581-E583 PolarHBondContact O-N 3.05Å; L581-P584 WeakPolarHBondContact O-CD 3.4Å; L581-F821 VanDerWaalsContact C-CE1 3.5Å; L581-F821 HydrophobicContact CB-CB 3.49Å; L581-F821 VanDerWaalsContact CB-CB 3.49Å; L581-F821 HydrophobicContact CB-CD1 3.77Å; L581-F821 HydrophobicContact CB-CD2 3.44Å; L581-F821 VanDerWaalsContact CB-CD2 3.44Å; L581-F821 HydrophobicContact CB-CE1 4.4Å; L581-F821 HydrophobicContact CB-CE2 4.16Å; L581-F821 HydrophobicContact CB-CG 3.28Å; L581-F821 HydrophobicContact CD1-CB 3.71Å; L581-F821 HydrophobicContact CD1-CD2 4.32Å; L581-F821 HydrophobicContact CD1-CG 4.31Å; L581-F821 HydrophobicContact CD2-CB 4.3Å; L581-F821 HydrophobicContact CG-CB 3.99Å; L581-F821 HydrophobicContact CG-CD2 4.49Å; L581-F821 HydrophobicContact CG-CG 4.31Å; L581-F821 VanDerWaalsContact O-CD1 3.28Å; L581-F821 WeakPolarHBondContact O-CD1 3.48Å; L581-F821 WeakPolarHBondContact O-CE1 3.44Å
582	I	52.1	Low	56.7	Low	12 Å²	12	44 Å²	44	6%	0.062	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-45.3	168	-74.4	169.8	0	0	0	110.8	L69 T73 I578 T579 M585 I586 F817 F821	L69-I582 HydrophobicContact CD2-CD1 3.67Å; T73-I582 HydrophobicContact CG2-CG2 3.82Å; I578-I582 HydrophobicContact CG2-CD1 3.73Å; I578-I582 HydrophobicContact CG2-CG1 4.18Å; I578-I582 WeakPolarHBondContact O-CG1 3.42Å; I578-I582 PolarHBondContact O-N 3.12Å; T579-I582 PolarHBondContact O-N 3.27Å; I582-M585 PolarHBondContact O-N 3.42Å; I582-I586 HydrophobicContact CG2-CD1 3.51Å; I582-I586 HydrophobicContact CG2-CG1 4.11Å; I582-I586 PolarHBondContact O-N 3.12Å; I582-F817 HydrophobicContact CD1-CD1 4.06Å; I582-F817 HydrophobicContact CD1-CE1 4.04Å; I582-F817 HydrophobicContact CG1-CD1 4.1Å; I582-F817 HydrophobicContact CG1-CE1 4.22Å; I582-F821 VanDerWaalsContact CA-CZ 3.47Å; I582-F821 HydrophobicContact CB-CE2 4.5Å; I582-F821 HydrophobicContact CB-CZ 4.08Å; I582-F821 HydrophobicContact CG1-CE2 3.59Å; I582-F821 HydrophobicContact CG1-CZ 3.44Å; I582-F821 VanDerWaalsContact CG1-CZ 3.44Å
583	E	58.5	Low	59.7	Low	74 Å²	74	40 Å²	40	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-52.2	-174.3	-72.6	172.9	-165.2	0	0	113.3	T579 L581 M585 I586 A587	T579-E583 PolarHBondContact O-N 3.33Å; L581-E583 VanDerWaalsContact C-N 3.31Å; L581-E583 PolarHBondContact O-N 3.05Å; E583-M585 VanDerWaalsContact C-N 3.29Å; E583-M585 PolarHBondContact O-N 3.03Å; E583-I586 PolarHBondContact O-N 2.64Å; E583-A587 PolarHBondContact O-N 3.45Å
584	P	60.5	Low	62.5	Low	46 Å²	46	37.6 Å²	37.6	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-53.8	-39.2	172.4	-29.5	34.4	0	0	0	114.7	L581 S588	L581-P584 WeakPolarHBondContact O-CD 3.4Å; P584-S588 WeakPolarHBondContact O-CB 3.31Å; P584-S588 PolarHBondContact O-N 3.29Å; P584-S588 PolarHBondContact O-OG 3.49Å
585	M	62.9	Low	65.1	Low	29 Å²	29	39.3 Å²	39.3	14%	0.143	22%	0.222	C	C	.	.	H	α-helix	trans	-74.6	-33.5	-178.8	-170.5	-110.1	-61.7	0	0	112.5	I582 E583 S588 L589 I619 L820 F821	I582-M585 PolarHBondContact O-N 3.42Å; E583-M585 VanDerWaalsContact C-N 3.29Å; E583-M585 PolarHBondContact O-N 3.03Å; M585-S588 PolarHBondContact O-N 2.93Å; M585-L589 VanDerWaalsContact O-CB 3.25Å; M585-L589 WeakPolarHBondContact O-CB 3.4Å; M585-L589 PolarHBondContact O-N 2.96Å; M585-I619 HydrophobicContact CE-CD1 3.64Å; M585-I619 HydrophobicContact CE-CG1 3.78Å; M585-I619 HydrophobicContact SD-CD1 4.33Å; M585-I619 HydrophobicContact SD-CG1 4.12Å; M585-L820 HydrophobicContact CE-CB 4.4Å; M585-L820 HydrophobicContact CE-CD1 3.69Å; M585-L820 HydrophobicContact CE-CD2 4.47Å; M585-L820 HydrophobicContact CE-CG 4.4Å; M585-F821 HydrophobicContact CB-CD1 4.39Å; M585-F821 HydrophobicContact CB-CE1 3.71Å; M585-F821 HydrophobicContact CE-CD1 4.46Å; M585-F821 HydrophobicContact CE-CE1 3.3Å; M585-F821 HydrophobicContact CE-CZ 3.53Å; M585-F821 HydrophobicContact CG-CE1 4.26Å
586	I	66	Low	67.6	Low	17 Å²	17	35.8 Å²	35.8	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-45.6	172.5	-71	178.4	0	0	0	110.6	T73 L77 I582 E583 S588 L589 V590	T73-I586 HydrophobicContact CG2-CD1 3.39Å; L77-I586 HydrophobicContact CD1-CG2 4.31Å; I582-I586 HydrophobicContact CG2-CD1 3.51Å; I582-I586 HydrophobicContact CG2-CG1 4.11Å; I582-I586 PolarHBondContact O-N 3.12Å; E583-I586 PolarHBondContact O-N 2.64Å; I586-S588 VanDerWaalsContact C-N 3.28Å; I586-S588 PolarHBondContact O-N 2.9Å; I586-L589 PolarHBondContact O-N 3.4Å; I586-L589 VanDerWaalsContact O-N 3.13Å; I586-V590 WeakPolarHBondContact O-CG2 3.29Å; I586-V590 PolarHBondContact O-N 2.97Å
587	A	71.3	Confident	70.1	Confident	41 Å²	41	34.6 Å²	34.6	34%	0.339	19%	0.194	S	C	.	.	H	α-helix	trans	-58.8	-42.2	174.8	0	0	0	0	0	111.5	E583 L589 V590 A591	E583-A587 PolarHBondContact O-N 3.45Å; A587-L589 PolarHBondContact O-N 3.28Å; A587-V590 PolarHBondContact O-N 3.01Å; A587-A591 PolarHBondContact O-N 3.15Å
588	S	76.4	Confident	72.1	Confident	13 Å²	13	29.2 Å²	29.2	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-39.5	174.6	-57.4	0	0	0	0	112.6	M548 P551 P584 M585 I586 A591 F592	M548-S588 WeakPolarHBondContact CG-O 3.36Å; P551-S588 WeakPolarHBondContact CB-OG 3.18Å; P584-S588 WeakPolarHBondContact O-CB 3.31Å; P584-S588 PolarHBondContact O-N 3.29Å; P584-S588 PolarHBondContact O-OG 3.49Å; M585-S588 PolarHBondContact O-N 2.93Å; I586-S588 VanDerWaalsContact C-N 3.28Å; I586-S588 PolarHBondContact O-N 2.9Å; S588-A591 PolarHBondContact O-N 3.14Å; S588-F592 PolarHBondContact O-N 3.19Å
589	L	82.3	Confident	74.6	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-70.5	-35.5	177.8	176.2	61.1	0	0	0	112.3	M548 M585 I586 A587 F592 A593 L611 C615 I618	M548-L589 HydrophobicContact SD-CB 4.46Å; M548-L589 HydrophobicContact SD-CD1 4.05Å; M585-L589 VanDerWaalsContact O-CB 3.25Å; M585-L589 WeakPolarHBondContact O-CB 3.4Å; M585-L589 PolarHBondContact O-N 2.96Å; I586-L589 PolarHBondContact O-N 3.4Å; I586-L589 VanDerWaalsContact O-N 3.13Å; A587-L589 PolarHBondContact O-N 3.28Å; L589-F592 HydrophobicContact CD1-CD1 4.15Å; L589-F592 PolarHBondContact O-N 3.44Å; L589-A593 VanDerWaalsContact O-CB 3.32Å; L589-A593 WeakPolarHBondContact O-CB 3.28Å; L589-A593 PolarHBondContact O-N 3.02Å; L589-L611 HydrophobicContact CD1-CD2 4.39Å; L589-L611 HydrophobicContact CD2-CD2 4.2Å; L589-L611 HydrophobicContact CG-CD2 3.75Å; L589-C615 HydrophobicContact CD2-CB 4.13Å; L589-I618 HydrophobicContact CD1-CD1 3.49Å; L589-I618 VanDerWaalsContact CD1-CD1 3.49Å
590	V	84.1	Confident	76.7	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-45.7	170.1	172.3	0	0	0	0	110	L77 I586 A587 F592 A593 R594 L611	L77-V590 HydrophobicContact CD1-CG2 3.64Å; I586-V590 WeakPolarHBondContact O-CG2 3.29Å; I586-V590 PolarHBondContact O-N 2.97Å; A587-V590 PolarHBondContact O-N 3.01Å; V590-F592 VanDerWaalsContact C-N 3.35Å; V590-F592 PolarHBondContact O-N 2.84Å; V590-A593 PolarHBondContact O-N 3.2Å; V590-R594 WeakPolarHBondContact O-CG 3.39Å; V590-R594 PolarHBondContact O-N 3.24Å; V590-L611 HydrophobicContact CG2-CD1 4.11Å
591	A	84.8	Confident	78.8	Confident	39 Å²	39	35.3 Å²	35.3	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-63.9	-36.9	177.1	0	0	0	0	0	112.8	A587 S588	A587-A591 PolarHBondContact O-N 3.15Å; S588-A591 PolarHBondContact O-N 3.14Å
592	F	90.5	Very high	80.7	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-51.8	170	170.8	-104	0	0	0	111.9	I541 A544 Y545 M548 S588 L589 V590 R594 L595 V596 T713 L717	I541-F592 HydrophobicContact CG2-CE2 4.4Å; A544-F592 HydrophobicContact CB-CD2 3.73Å; A544-F592 HydrophobicContact CB-CE2 4.17Å; Y545-F592 HydrophobicContact CD2-CE2 4.33Å; M548-F592 HydrophobicContact CB-CB 4.02Å; M548-F592 HydrophobicContact CG-CB 4.08Å; M548-F592 HydrophobicContact SD-CB 3.61Å; M548-F592 HydrophobicContact SD-CD1 4.24Å; M548-F592 HydrophobicContact SD-CD2 4.4Å; M548-F592 HydrophobicContact SD-CG 3.83Å; S588-F592 PolarHBondContact O-N 3.19Å; L589-F592 HydrophobicContact CD1-CD1 4.15Å; L589-F592 PolarHBondContact O-N 3.44Å; V590-F592 VanDerWaalsContact C-N 3.35Å; V590-F592 PolarHBondContact O-N 2.84Å; F592-R594 VanDerWaalsContact C-N 3.32Å; F592-R594 PolarHBondContact O-N 2.98Å; F592-L595 PolarHBondContact O-N 3.36Å; F592-V596 HydrophobicContact CD1-CG2 4.16Å; F592-V596 HydrophobicContact CE1-CG2 3.59Å; F592-V596 HydrophobicContact CE2-CG2 4.09Å; F592-V596 HydrophobicContact CZ-CG2 3.55Å; F592-V596 PolarHBondContact O-N 2.66Å; F592-T713 HydrophobicContact CD1-CG2 4.24Å; F592-T713 HydrophobicContact CE1-CG2 3.51Å; F592-T713 HydrophobicContact CE2-CG2 4.35Å; F592-T713 HydrophobicContact CZ-CG2 3.57Å; F592-L717 HydrophobicContact CD1-CD2 4.47Å; F592-L717 HydrophobicContact CE1-CD2 4.22Å
593	A	92.1	Very high	82.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-39.4	-170.4	0	0	0	0	0	112.6	L589 V590 L595 V596 F599 L611 L717	L589-A593 VanDerWaalsContact O-CB 3.32Å; L589-A593 WeakPolarHBondContact O-CB 3.28Å; L589-A593 PolarHBondContact O-N 3.02Å; V590-A593 PolarHBondContact O-N 3.2Å; A593-L595 PolarHBondContact O-N 2.92Å; A593-V596 WeakPolarHBondContact O-CB 3.34Å; A593-V596 PolarHBondContact O-N 3.14Å; A593-F599 VanDerWaalsContact C-CD1 3.47Å; A593-F599 HydrophobicContact CB-CD1 3.86Å; A593-F599 HydrophobicContact CB-CD2 4.23Å; A593-F599 HydrophobicContact CB-CE1 3.67Å; A593-F599 HydrophobicContact CB-CE2 4.06Å; A593-F599 HydrophobicContact CB-CG 4.15Å; A593-F599 HydrophobicContact CB-CZ 3.78Å; A593-F599 WeakPolarHBondContact O-CB 3.41Å; A593-F599 VanDerWaalsContact O-CD1 3.28Å; A593-F599 WeakPolarHBondContact O-CD1 3.34Å; A593-F599 VanDerWaalsContact O-CG 3.3Å; A593-F599 WeakPolarHBondContact O-CG 3.45Å; A593-L611 HydrophobicContact CB-CD2 3.75Å; A593-L611 HydrophobicContact CB-CG 4.42Å; A593-L717 HydrophobicContact CB-CD1 3.95Å; A593-L717 HydrophobicContact CB-CD2 3.56Å; A593-L717 HydrophobicContact CB-CG 4.42Å
594	R	89.3	Confident	83.8	Confident	15 Å²	15	34.3 Å²	34.3	6%	0.057	21%	0.205	C	C	.	.	H	α-helix	trans	-56.7	-31.5	174.9	-69.5	172.3	177.2	-73.3	-4.9	114	I81 F84 N85 V590 F592 E600	I81-R594 PolarHBondContact O-NH2 2.83Å; F84-R594 VanDerWaalsContact CD1-CD 3.49Å; F84-R594 VanDerWaalsContact CD1-NE 3.34Å; F84-R594 VanDerWaalsContact CG-NE 3.29Å; N85-R594 PolarHBondContact OD1-NH1 2.83Å; N85-R594 PolarHBondContact OD1-NH2 3.02Å; V590-R594 WeakPolarHBondContact O-CG 3.39Å; V590-R594 PolarHBondContact O-N 3.24Å; F592-R594 VanDerWaalsContact C-N 3.32Å; F592-R594 PolarHBondContact O-N 2.98Å; R594-E600 IonicContact NH1-OE1 3.1Å; R594-E600 PolarHBondContact NH1-OE1 3.19Å; R594-E600 VanDerWaalsContact NH1-OE1 3.1Å
595	L	90.3	Very high	84.8	Confident	83 Å²	83	36.6 Å²	36.6	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.8	-179.9	-61.5	174.5	0	0	0	113	A544 F592 A593	A544-L595 HydrophobicContact CB-CB 3.55Å; A544-L595 HydrophobicContact CB-CD1 3.67Å; A544-L595 HydrophobicContact CB-CG 4.25Å; F592-L595 PolarHBondContact O-N 3.36Å; A593-L595 PolarHBondContact O-N 2.92Å
596	V	91.8	Very high	86.1	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.018	21%	0.208	C	C	.	.	S	Bend	trans	-80	127.5	170.2	177.7	0	0	0	0	108.8	F592 A593 G598 F599 L717 M718 L738	F592-V596 HydrophobicContact CD1-CG2 4.16Å; F592-V596 HydrophobicContact CE1-CG2 3.59Å; F592-V596 HydrophobicContact CE2-CG2 4.09Å; F592-V596 HydrophobicContact CZ-CG2 3.55Å; F592-V596 PolarHBondContact O-N 2.66Å; A593-V596 WeakPolarHBondContact O-CB 3.34Å; A593-V596 PolarHBondContact O-N 3.14Å; V596-G598 PolarHBondContact O-N 3.49Å; V596-F599 HydrophobicContact CB-CB 4.47Å; V596-F599 WeakPolarHBondContact O-CB 3.17Å; V596-F599 PolarHBondContact O-N 3.07Å; V596-L717 HydrophobicContact CB-CD2 3.91Å; V596-L717 HydrophobicContact CG1-CD2 4.22Å; V596-L717 HydrophobicContact CG2-CD2 3.77Å; V596-M718 HydrophobicContact CG1-CG 3.98Å; V596-L738 HydrophobicContact CG1-CD1 4.09Å
597	P	88.9	Confident	87.1	Confident	46 Å²	46	34.8 Å²	34.8	30%	0.299	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	142.1	178.2	-28	34.3	0	0	0	112.6	M537 F599 T734	M537-P597 HydrophobicContact CE-CG 4.48Å; M537-P597 HydrophobicContact CG-CG 4.13Å; P597-F599 PolarHBondContact O-N 2.88Å; P597-F599 VanDerWaalsContact O-N 3.12Å; P597-T734 WeakPolarHBondContact O-CG2 3.31Å
598	G	88	Confident	87.3	Confident	19 Å²	19	33.5 Å²	33.5	20%	0.196	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	-22.3	178.6	0	0	0	0	0	115.8	V596 L601	V596-G598 PolarHBondContact O-N 3.49Å; G598-L601 WeakPolarHBondContact O-CB 3.42Å; G598-L601 PolarHBondContact O-N 2.91Å
599	F	93	Very high	87.5	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.013	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-65.2	-46.3	-175.8	-177.7	-91	0	0	0	113.3	A593 V596 P597 L601 L602 Q607 L610 L611 L717 M718	A593-F599 VanDerWaalsContact C-CD1 3.47Å; A593-F599 HydrophobicContact CB-CD1 3.86Å; A593-F599 HydrophobicContact CB-CD2 4.23Å; A593-F599 HydrophobicContact CB-CE1 3.67Å; A593-F599 HydrophobicContact CB-CE2 4.06Å; A593-F599 HydrophobicContact CB-CG 4.15Å; A593-F599 HydrophobicContact CB-CZ 3.78Å; A593-F599 WeakPolarHBondContact O-CB 3.41Å; A593-F599 VanDerWaalsContact O-CD1 3.28Å; A593-F599 WeakPolarHBondContact O-CD1 3.34Å; A593-F599 VanDerWaalsContact O-CG 3.3Å; A593-F599 WeakPolarHBondContact O-CG 3.45Å; V596-F599 HydrophobicContact CB-CB 4.47Å; V596-F599 WeakPolarHBondContact O-CB 3.17Å; V596-F599 PolarHBondContact O-N 3.07Å; P597-F599 PolarHBondContact O-N 2.88Å; P597-F599 VanDerWaalsContact O-N 3.12Å; F599-L601 PolarHBondContact O-N 3.44Å; F599-L602 WeakPolarHBondContact O-CB 3.24Å; F599-L602 PolarHBondContact O-N 2.95Å; F599-Q607 HydrophobicContact CD1-CG 4.31Å; F599-Q607 HydrophobicContact CE1-CB 3.93Å; F599-Q607 HydrophobicContact CE1-CG 3.71Å; F599-Q607 HydrophobicContact CE2-CB 4.25Å; F599-Q607 HydrophobicContact CE2-CG 4.34Å; F599-Q607 HydrophobicContact CZ-CB 3.52Å; F599-Q607 HydrophobicContact CZ-CG 3.72Å; F599-L610 HydrophobicContact CD2-CD1 4.05Å; F599-L610 HydrophobicContact CE2-CB 4.09Å; F599-L610 HydrophobicContact CE2-CD1 4.05Å; F599-L611 HydrophobicContact CE1-CD1 4.31Å; F599-L611 HydrophobicContact CE2-CD1 4.49Å; F599-L611 HydrophobicContact CE2-CG 4.24Å; F599-L611 HydrophobicContact CZ-CD1 3.59Å; F599-L611 HydrophobicContact CZ-CG 3.81Å; F599-L717 HydrophobicContact CD2-CD1 4.07Å; F599-L717 HydrophobicContact CD2-CD2 3.86Å; F599-L717 HydrophobicContact CD2-CG 4.02Å; F599-L717 HydrophobicContact CE2-CD1 3.79Å; F599-L717 HydrophobicContact CE2-CD2 4.36Å; F599-L717 HydrophobicContact CE2-CG 4.26Å; F599-L717 HydrophobicContact CG-CD2 4.31Å; F599-M718 HydrophobicContact CB-SD 3.99Å; F599-M718 HydrophobicContact CD2-SD 3.84Å; F599-M718 HydrophobicContact CG-SD 4.43Å
600	E	91.2	Very high	87.7	Confident	87 Å²	87	36.3 Å²	36.3	41%	0.407	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-70.8	-11.6	-178.6	-163.5	164.5	-127.7	0	0	113.1	N88 R594	N88-E600 PolarHBondContact ND2-OE1 3.04Å; R594-E600 IonicContact NH1-OE1 3.1Å; R594-E600 PolarHBondContact NH1-OE1 3.19Å; R594-E600 VanDerWaalsContact NH1-OE1 3.1Å
601	L	89.9	Confident	87.7	Confident	151 Å²	151	36.3 Å²	36.3	79%	0.791	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-79.7	-16.9	173.7	-55.5	-179.4	0	0	0	113.3	G598 F599	G598-L601 WeakPolarHBondContact O-CB 3.42Å; G598-L601 PolarHBondContact O-N 2.91Å; F599-L601 PolarHBondContact O-N 3.44Å
602	L	91.2	Very high	87.2	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.052	21%	0.205	C	C	.	.	S	Bend	trans	-78.5	156.3	179.7	-61.8	174.2	0	0	0	111.8	F599 D606 Q607 L610 M718 D727 T730 V731	F599-L602 WeakPolarHBondContact O-CB 3.24Å; F599-L602 PolarHBondContact O-N 2.95Å; L602-D606 HydrophobicContact CB-CB 4.2Å; L602-D606 HydrophobicContact CD1-CB 4.48Å; L602-Q607 HydrophobicContact CB-CG 4.09Å; L602-Q607 PolarHBondContact O-NE2 3.27Å; L602-L610 HydrophobicContact CD1-CD1 3.43Å; L602-L610 VanDerWaalsContact CD1-CD1 3.43Å; L602-M718 HydrophobicContact CD1-CE 4.07Å; L602-D727 HydrophobicContact CD2-CB 4.4Å; L602-T730 HydrophobicContact CD2-CG2 3.98Å; L602-V731 HydrophobicContact CD1-CG2 3.77Å; L602-V731 HydrophobicContact CD2-CG2 3.95Å
603	D	90.1	Very high	86.4	Confident	65 Å²	65	39.8 Å²	39.8	35%	0.348	21%	0.21	S	C	.	.			trans	-64.8	155.1	173	110.6	93.9	0	0	0	111.9	N605 D606 Q607 T726	D603-N605 PolarHBondContact O-N 3.09Å; D603-N605 VanDerWaalsContact O-N 3.12Å; D603-N605 VanDerWaalsContact OD1-CB 3.27Å; D603-N605 WeakPolarHBondContact OD1-CB 3.33Å; D603-N605 PolarHBondContact OD1-N 3.21Å; D603-N605 PolarHBondContact OD1-ND2 3Å; D603-N605 PolarHBondContact OD2-N 3.33Å; D603-D606 PolarHBondContact O-N 3.08Å; D603-D606 VanDerWaalsContact O-N 3.08Å; D603-D606 WeakPolarHBondContact OD2-CB 3.18Å; D603-D606 PolarHBondContact OD2-N 2.76Å; D603-Q607 WeakPolarHBondContact O-CG 3.45Å; D603-Q607 PolarHBondContact O-N 2.91Å; D603-T726 PolarHBondContact OD2-OG1 3.15Å
604	A	85.8	Confident	86	Confident	43 Å²	43	39.8 Å²	39.8	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-25.1	-177.6	0	0	0	0	0	113.8	I81 T608	I81-A604 HydrophobicContact CG2-CB 4.26Å; A604-T608 VanDerWaalsContact O-CB 3.26Å; A604-T608 WeakPolarHBondContact O-CB 3.18Å; A604-T608 PolarHBondContact O-N 3.27Å; A604-T608 VanDerWaalsContact O-N 3.09Å; A604-T608 PolarHBondContact O-OG1 3Å
605	N	81	Confident	85.5	Confident	95 Å²	95	40.4 Å²	40.4	51%	0.508	22%	0.217	S	C	.	.	H	α-helix	trans	-74.2	-43.5	174.4	-59.5	-82.7	0	0	0	111.4	D603 T608 R609	D603-N605 PolarHBondContact O-N 3.09Å; D603-N605 VanDerWaalsContact O-N 3.12Å; D603-N605 VanDerWaalsContact OD1-CB 3.27Å; D603-N605 WeakPolarHBondContact OD1-CB 3.33Å; D603-N605 PolarHBondContact OD1-N 3.21Å; D603-N605 PolarHBondContact OD1-ND2 3Å; D603-N605 PolarHBondContact OD2-N 3.33Å; N605-T608 WeakPolarHBondContact O-CB 3.44Å; N605-T608 PolarHBondContact O-N 3Å; N605-R609 WeakPolarHBondContact O-CD 3.23Å; N605-R609 WeakPolarHBondContact O-CG 3.27Å; N605-R609 PolarHBondContact O-N 3.34Å
606	D	88.8	Confident	84.8	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-43.1	174.7	-75.6	-20.7	0	0	0	112.5	L602 D603 T608 R609 L610 L725 T726 D727	L602-D606 HydrophobicContact CB-CB 4.2Å; L602-D606 HydrophobicContact CD1-CB 4.48Å; D603-D606 PolarHBondContact O-N 3.08Å; D603-D606 VanDerWaalsContact O-N 3.08Å; D603-D606 WeakPolarHBondContact OD2-CB 3.18Å; D603-D606 PolarHBondContact OD2-N 2.76Å; D606-T608 VanDerWaalsContact C-N 3.25Å; D606-T608 PolarHBondContact O-N 3.06Å; D606-R609 PolarHBondContact O-N 2.7Å; D606-R609 VanDerWaalsContact O-N 3.09Å; D606-R609 WeakPolarHBondContact OD1-CD 3.43Å; D606-R609 IonicContact OD1-CZ 2.76Å; D606-R609 IonicContact OD1-NE 3.36Å; D606-R609 IonicContact OD1-NH1 3.06Å; D606-R609 PolarHBondContact OD1-NH1 3.34Å; D606-L610 WeakPolarHBondContact O-CG 3.44Å; D606-L610 PolarHBondContact O-N 3.43Å; D606-L725 HydrophobicContact CB-CD2 3.99Å; D606-L725 WeakPolarHBondContact OD1-CA 3.46Å; D606-L725 VanDerWaalsContact OD1-CD2 3.32Å; D606-L725 WeakPolarHBondContact OD1-CD2 3.48Å; D606-T726 VanDerWaalsContact CG-N 3.32Å; D606-T726 PolarHBondContact OD1-N 3.46Å; D606-T726 PolarHBondContact OD1-OG1 3.39Å; D606-T726 VanDerWaalsContact OD1-OG1 3.13Å; D606-T726 WeakPolarHBondContact OD2-CA 3.5Å; D606-T726 WeakPolarHBondContact OD2-CB 3.24Å; D606-T726 PolarHBondContact OD2-N 2.9Å; D606-T726 PolarHBondContact OD2-OG1 3.42Å; D606-D727 PolarHBondContact OD2-N 2.95Å
607	Q	88.4	Confident	84.5	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-51.2	-47.7	168.2	-68.4	-178	14.9	0	0	111	F599 L602 D603 L611	F599-Q607 HydrophobicContact CD1-CG 4.31Å; F599-Q607 HydrophobicContact CE1-CB 3.93Å; F599-Q607 HydrophobicContact CE1-CG 3.71Å; F599-Q607 HydrophobicContact CE2-CB 4.25Å; F599-Q607 HydrophobicContact CE2-CG 4.34Å; F599-Q607 HydrophobicContact CZ-CB 3.52Å; F599-Q607 HydrophobicContact CZ-CG 3.72Å; L602-Q607 HydrophobicContact CB-CG 4.09Å; L602-Q607 PolarHBondContact O-NE2 3.27Å; D603-Q607 WeakPolarHBondContact O-CG 3.45Å; D603-Q607 PolarHBondContact O-N 2.91Å; Q607-L611 WeakPolarHBondContact O-CB 3.36Å; Q607-L611 WeakPolarHBondContact O-CD1 3.13Å; Q607-L611 WeakPolarHBondContact O-CG 3.28Å; Q607-L611 PolarHBondContact O-N 3.49Å
608	T	75.6	Confident	84.3	Confident	14 Å²	14	35.1 Å²	35.1	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-41.5	177	-64.5	0	0	0	0	112.8	L77 I81 A604 N605 D606 R612	L77-T608 HydrophobicContact CD2-CG2 4.03Å; I81-T608 VanDerWaalsContact CD1-OG1 3.32Å; I81-T608 WeakPolarHBondContact CD1-OG1 3.31Å; A604-T608 VanDerWaalsContact O-CB 3.26Å; A604-T608 WeakPolarHBondContact O-CB 3.18Å; A604-T608 PolarHBondContact O-N 3.27Å; A604-T608 VanDerWaalsContact O-N 3.09Å; A604-T608 PolarHBondContact O-OG1 3Å; N605-T608 WeakPolarHBondContact O-CB 3.44Å; N605-T608 PolarHBondContact O-N 3Å; D606-T608 VanDerWaalsContact C-N 3.25Å; D606-T608 PolarHBondContact O-N 3.06Å; T608-R612 VanDerWaalsContact O-CG 3.32Å; T608-R612 WeakPolarHBondContact O-CG 3.43Å; T608-R612 PolarHBondContact O-N 2.87Å; T608-R612 VanDerWaalsContact O-N 3.1Å
609	R	80.1	Confident	83.7	Confident	77 Å²	77	34.2 Å²	34.2	29%	0.291	18%	0.177	S	C	.	.	H	α-helix	trans	-68	-43.6	-179.7	-72.3	158.7	-174.5	143.8	-4.8	111.7	N605 D606 G613 G724 L725 T726	N605-R609 WeakPolarHBondContact O-CD 3.23Å; N605-R609 WeakPolarHBondContact O-CG 3.27Å; N605-R609 PolarHBondContact O-N 3.34Å; D606-R609 PolarHBondContact O-N 2.7Å; D606-R609 VanDerWaalsContact O-N 3.09Å; D606-R609 WeakPolarHBondContact OD1-CD 3.43Å; D606-R609 IonicContact OD1-CZ 2.76Å; D606-R609 IonicContact OD1-NE 3.36Å; D606-R609 IonicContact OD1-NH1 3.06Å; D606-R609 PolarHBondContact OD1-NH1 3.34Å; R609-G613 PolarHBondContact O-N 3.02Å; R609-G613 VanDerWaalsContact O-N 3.08Å; R609-G724 WeakPolarHBondContact CD-O 3.26Å; R609-G724 PolarHBondContact NE-O 3.39Å; R609-G724 PolarHBondContact NH1-O 2.9Å; R609-G724 PolarHBondContact NH2-O 2.93Å; R609-L725 HydrophobicContact CB-CD2 3.87Å; R609-T726 PolarHBondContact NH1-OG1 2.89Å
610	L	86	Confident	83	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-51.6	175.2	-67.6	-175.3	0	0	0	110.9	F599 L602 D606 R612 G613 C614 L717 M718 S719 R722 L725 V731	F599-L610 HydrophobicContact CD2-CD1 4.05Å; F599-L610 HydrophobicContact CE2-CB 4.09Å; F599-L610 HydrophobicContact CE2-CD1 4.05Å; L602-L610 HydrophobicContact CD1-CD1 3.43Å; L602-L610 VanDerWaalsContact CD1-CD1 3.43Å; D606-L610 WeakPolarHBondContact O-CG 3.44Å; D606-L610 PolarHBondContact O-N 3.43Å; L610-R612 PolarHBondContact O-N 2.92Å; L610-G613 PolarHBondContact O-N 2.84Å; L610-G613 VanDerWaalsContact O-N 3.09Å; L610-C614 WeakPolarHBondContact O-CB 3.39Å; L610-C614 PolarHBondContact O-N 3.4Å; L610-C614 PolarHBondContact O-SG 3.26Å; L610-C614 VanDerWaalsContact O-SG 3.36Å; L610-L717 HydrophobicContact CB-CD1 4.37Å; L610-M718 HydrophobicContact CD1-CE 4.29Å; L610-M718 HydrophobicContact CD1-SD 3.82Å; L610-S719 WeakPolarHBondContact CD2-O 3.33Å; L610-R722 HydrophobicContact CD2-CG 3.83Å; L610-L725 HydrophobicContact CD2-CD1 4.09Å; L610-L725 HydrophobicContact CD2-CD2 3.93Å; L610-L725 HydrophobicContact CG-CD2 4.15Å; L610-V731 HydrophobicContact CD1-CG2 4.13Å; L610-V731 HydrophobicContact CD2-CG1 4.09Å; L610-V731 HydrophobicContact CD2-CG2 4.5Å
611	L	85.3	Confident	82.9	Confident	5 Å²	5	30 Å²	30	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-43.7	-179.1	-79.1	165	0	0	0	113	L77 I81 L589 V590 A593 F599 Q607 C614 C615 L717	L77-L611 HydrophobicContact CD1-CB 4.08Å; L77-L611 HydrophobicContact CD1-CD1 3.82Å; L77-L611 HydrophobicContact CD1-CG 4.5Å; L77-L611 HydrophobicContact CD2-CB 4.21Å; I81-L611 HydrophobicContact CD1-CD1 4.01Å; I81-L611 HydrophobicContact CG1-CD1 4.41Å; L589-L611 HydrophobicContact CD1-CD2 4.39Å; L589-L611 HydrophobicContact CD2-CD2 4.2Å; L589-L611 HydrophobicContact CG-CD2 3.75Å; V590-L611 HydrophobicContact CG2-CD1 4.11Å; A593-L611 HydrophobicContact CB-CD2 3.75Å; A593-L611 HydrophobicContact CB-CG 4.42Å; F599-L611 HydrophobicContact CE1-CD1 4.31Å; F599-L611 HydrophobicContact CE2-CD1 4.49Å; F599-L611 HydrophobicContact CE2-CG 4.24Å; F599-L611 HydrophobicContact CZ-CD1 3.59Å; F599-L611 HydrophobicContact CZ-CG 3.81Å; Q607-L611 WeakPolarHBondContact O-CB 3.36Å; Q607-L611 WeakPolarHBondContact O-CD1 3.13Å; Q607-L611 WeakPolarHBondContact O-CG 3.28Å; Q607-L611 PolarHBondContact O-N 3.49Å; L611-C614 PolarHBondContact O-SG 2.99Å; L611-C615 WeakPolarHBondContact O-CB 3.27Å; L611-C615 PolarHBondContact O-N 3.19Å; L611-L717 HydrophobicContact CD2-CD1 4.05Å; L611-L717 HydrophobicContact CG-CD1 4.32Å
612	R	73.3	Confident	82.7	Confident	101 Å²	101	24.6 Å²	24.6	38%	0.381	13%	0.126	S	C	.	.	H	α-helix	trans	-62.5	-43.3	173.4	-71.3	-178	-153.8	-156.5	11	112.4	E74 L77 T608 L610	E74-R612 VanDerWaalsContact CD-CZ 3.47Å; E74-R612 IonicContact OE1-CZ 3.49Å; E74-R612 IonicContact OE1-NH1 3.78Å; E74-R612 PolarHBondContact OE1-NH1 3.3Å; E74-R612 IonicContact OE1-NH2 3.87Å; E74-R612 PolarHBondContact OE1-NH2 3.12Å; E74-R612 IonicContact OE2-CZ 2.88Å; E74-R612 IonicContact OE2-NH1 3.44Å; E74-R612 PolarHBondContact OE2-NH1 3.17Å; E74-R612 IonicContact OE2-NH2 3.2Å; E74-R612 PolarHBondContact OE2-NH2 3.33Å; L77-R612 HydrophobicContact CD2-CG 3.81Å; T608-R612 VanDerWaalsContact O-CG 3.32Å; T608-R612 WeakPolarHBondContact O-CG 3.43Å; T608-R612 PolarHBondContact O-N 2.87Å; T608-R612 VanDerWaalsContact O-N 3.1Å; L610-R612 PolarHBondContact O-N 2.92Å
613	G	73.1	Confident	81.9	Confident	12 Å²	12	24.2 Å²	24.2	12%	0.124	13%	0.125	C	C	.	.	H	α-helix	trans	-67.7	-42.5	-178.1	0	0	0	0	0	113.1	R609 L610 R722	R609-G613 PolarHBondContact O-N 3.02Å; R609-G613 VanDerWaalsContact O-N 3.08Å; L610-G613 PolarHBondContact O-N 2.84Å; L610-G613 VanDerWaalsContact O-N 3.09Å; G613-R722 PolarHBondContact O-NH1 2.84Å; G613-R722 VanDerWaalsContact O-NH1 3.08Å
614	C	85.7	Confident	81.7	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-83.1	-20.1	-173.8	76.8	0	0	0	0	114.1	L610 L611 L616 D617 I618 L716 L717 R722	L610-C614 WeakPolarHBondContact O-CB 3.39Å; L610-C614 PolarHBondContact O-N 3.4Å; L610-C614 PolarHBondContact O-SG 3.26Å; L610-C614 VanDerWaalsContact O-SG 3.36Å; L611-C614 PolarHBondContact O-SG 2.99Å; C614-L616 PolarHBondContact O-N 3.4Å; C614-D617 WeakPolarHBondContact O-CA 3.49Å; C614-D617 WeakPolarHBondContact O-CB 3.44Å; C614-D617 PolarHBondContact O-N 3.1Å; C614-I618 HydrophobicContact CB-CD1 4.07Å; C614-I618 HydrophobicContact CB-CG1 4.5Å; C614-I618 WeakPolarHBondContact O-CG1 3.46Å; C614-I618 PolarHBondContact O-N 3.26Å; C614-L716 WeakPolarHBondContact CB-O 3.41Å; C614-L717 HydrophobicContact CB-CB 4.46Å; C614-L717 HydrophobicContact CB-CD1 4.48Å; C614-L717 WeakPolarHBondContact SG-CD1 3.16Å; C614-R722 VanDerWaalsContact CA-NH2 3.34Å
615	C	77.4	Confident	81.9	Confident	28 Å²	28	20.4 Å²	20.4	19%	0.189	10%	0.096	C	C	.	.	H	α-helix	trans	-49.7	-55.8	-177.6	-177.3	0	0	0	0	111.2	L589 L611 D617 I618 I619	L589-C615 HydrophobicContact CD2-CB 4.13Å; L611-C615 WeakPolarHBondContact O-CB 3.27Å; L611-C615 PolarHBondContact O-N 3.19Å; C615-D617 VanDerWaalsContact C-N 3.28Å; C615-D617 PolarHBondContact O-N 3.12Å; C615-I618 PolarHBondContact O-N 3.45Å; C615-I619 WeakPolarHBondContact O-CB 3.44Å; C615-I619 WeakPolarHBondContact O-CD1 3.49Å; C615-I619 WeakPolarHBondContact O-CG1 3.38Å; C615-I619 PolarHBondContact O-N 3.17Å
616	L	75.5	Confident	81.8	Confident	16 Å²	16	18.9 Å²	18.9	8%	0.084	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-32.3	179.1	-170.3	63.8	0	0	0	113.6	C614 T620 T794 N797 Q798 F801 Y816 F817	C614-L616 PolarHBondContact O-N 3.4Å; L616-T620 WeakPolarHBondContact O-CB 3.49Å; L616-T620 PolarHBondContact O-N 2.76Å; L616-T620 PolarHBondContact O-OG1 3.33Å; L616-T794 HydrophobicContact CG-CG2 4.31Å; L616-N797 HydrophobicContact CD2-CB 4.25Å; L616-Q798 HydrophobicContact CD2-CG 3.75Å; L616-F801 HydrophobicContact CD1-CD2 4.29Å; L616-F801 HydrophobicContact CD1-CE1 4.45Å; L616-F801 HydrophobicContact CD1-CE2 3.43Å; L616-F801 VanDerWaalsContact CD1-CE2 3.43Å; L616-F801 HydrophobicContact CD1-CZ 3.51Å; L616-F801 HydrophobicContact CD2-CD2 3.91Å; L616-F801 HydrophobicContact CD2-CE2 3.68Å; L616-F801 HydrophobicContact CG-CE2 4.22Å; L616-Y816 HydrophobicContact CD1-CE2 4.03Å; L616-F817 HydrophobicContact CD1-CE2 4.34Å
617	D	86.2	Confident	81.4	Confident	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.3	-49.6	-179.7	-56.4	-18.1	0	0	0	110.8	C614 C615 I619 T620 L621 L716 R722 R791 T794	C614-D617 WeakPolarHBondContact O-CA 3.49Å; C614-D617 WeakPolarHBondContact O-CB 3.44Å; C614-D617 PolarHBondContact O-N 3.1Å; C615-D617 VanDerWaalsContact C-N 3.28Å; C615-D617 PolarHBondContact O-N 3.12Å; D617-I619 VanDerWaalsContact C-N 3.34Å; D617-I619 PolarHBondContact O-N 3.33Å; D617-T620 PolarHBondContact O-N 3.27Å; D617-L621 WeakPolarHBondContact O-CB 3.06Å; D617-L621 PolarHBondContact O-N 3.05Å; D617-L716 HydrophobicContact CB-CB 4.07Å; D617-L716 HydrophobicContact CB-CD1 3.98Å; D617-L716 HydrophobicContact CB-CD2 3.97Å; D617-L716 HydrophobicContact CB-CG 4.2Å; D617-R722 IonicContact OD2-CZ 2.66Å; D617-R722 IonicContact OD2-NH1 2.67Å; D617-R722 PolarHBondContact OD2-NH1 2.81Å; D617-R722 IonicContact OD2-NH2 3.91Å; D617-R722 PolarHBondContact OD2-NH2 3.31Å; D617-R791 IonicContact OD2-CZ 2.7Å; D617-R791 IonicContact OD2-NH1 2.66Å; D617-R791 PolarHBondContact OD2-NH1 2.97Å; D617-T794 WeakPolarHBondContact OD1-CB 3.44Å; D617-T794 PolarHBondContact OD1-OG1 2.72Å
618	I	84.9	Confident	81.2	Confident	4 Å²	4	19.9 Å²	19.9	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-41.5	179	-65.7	172.4	0	0	0	110.6	M548 L589 C614 C615 L621 R622 T713 L716	M548-I618 HydrophobicContact CE-CG2 4.23Å; L589-I618 HydrophobicContact CD1-CD1 3.49Å; L589-I618 VanDerWaalsContact CD1-CD1 3.49Å; C614-I618 HydrophobicContact CB-CD1 4.07Å; C614-I618 HydrophobicContact CB-CG1 4.5Å; C614-I618 WeakPolarHBondContact O-CG1 3.46Å; C614-I618 PolarHBondContact O-N 3.26Å; C615-I618 PolarHBondContact O-N 3.45Å; I618-L621 PolarHBondContact O-N 2.82Å; I618-R622 WeakPolarHBondContact O-CG 3.4Å; I618-R622 PolarHBondContact O-N 2.93Å; I618-T713 HydrophobicContact CB-CG2 4.38Å; I618-T713 HydrophobicContact CD1-CG2 3.67Å; I618-T713 HydrophobicContact CG1-CG2 3.73Å; I618-T713 HydrophobicContact CG2-CG2 3.82Å; I618-L716 HydrophobicContact CG1-CB 4.38Å
619	I	74	Confident	81.6	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-56	-51.7	173	-73.3	173.1	0	0	0	111.3	M585 C615 D617 L621 R622 A623 Y816 F817 L820	M585-I619 HydrophobicContact CE-CD1 3.64Å; M585-I619 HydrophobicContact CE-CG1 3.78Å; M585-I619 HydrophobicContact SD-CD1 4.33Å; M585-I619 HydrophobicContact SD-CG1 4.12Å; C615-I619 WeakPolarHBondContact O-CB 3.44Å; C615-I619 WeakPolarHBondContact O-CD1 3.49Å; C615-I619 WeakPolarHBondContact O-CG1 3.38Å; C615-I619 PolarHBondContact O-N 3.17Å; D617-I619 VanDerWaalsContact C-N 3.34Å; D617-I619 PolarHBondContact O-N 3.33Å; I619-L621 VanDerWaalsContact C-N 3.3Å; I619-L621 PolarHBondContact O-N 3.18Å; I619-R622 PolarHBondContact O-N 3.03Å; I619-A623 PolarHBondContact O-N 2.98Å; I619-A623 VanDerWaalsContact O-N 3.17Å; I619-Y816 HydrophobicContact CG2-CD2 3.34Å; I619-Y816 HydrophobicContact CG2-CE2 3.49Å; I619-Y816 VanDerWaalsContact CG2-CE2 3.49Å; I619-F817 HydrophobicContact CD1-CE2 4.43Å; I619-F817 HydrophobicContact CD1-CZ 4.07Å; I619-L820 HydrophobicContact CB-CD1 4.09Å; I619-L820 HydrophobicContact CB-CD2 4.19Å; I619-L820 HydrophobicContact CD1-CD1 3.97Å; I619-L820 HydrophobicContact CG1-CD1 3.71Å; I619-L820 HydrophobicContact CG1-CD2 4.01Å; I619-L820 HydrophobicContact CG2-CD1 3.46Å; I619-L820 VanDerWaalsContact CG2-CD1 3.46Å; I619-L820 HydrophobicContact CG2-CD2 4.09Å; I619-L820 HydrophobicContact CG2-CG 4.2Å
620	T	79.8	Confident	81.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-33.9	-177.9	-55.9	0	0	0	0	111.3	L616 D617 A624 I692 L790 T794	L616-T620 WeakPolarHBondContact O-CB 3.49Å; L616-T620 PolarHBondContact O-N 2.76Å; L616-T620 PolarHBondContact O-OG1 3.33Å; D617-T620 PolarHBondContact O-N 3.27Å; T620-A624 VanDerWaalsContact O-CB 3.29Å; T620-A624 WeakPolarHBondContact O-CB 3.36Å; T620-A624 PolarHBondContact O-N 3.38Å; T620-I692 HydrophobicContact CG2-CD1 4.03Å; T620-I692 HydrophobicContact CG2-CG1 3.95Å; T620-L790 HydrophobicContact CG2-CD1 4.1Å; T620-L790 HydrophobicContact CG2-CG 4.1Å; T620-T794 HydrophobicContact CG2-CG2 3.99Å; T620-T794 VanDerWaalsContact OG1-CG2 3.31Å; T620-T794 WeakPolarHBondContact OG1-CG2 3.28Å
621	L	89.7	Confident	80.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-43.3	175.1	176.1	61.6	0	0	0	111.9	D617 I618 I619 A624 Y625 L699 V709 M712 L716 L790	D617-L621 WeakPolarHBondContact O-CB 3.06Å; D617-L621 PolarHBondContact O-N 3.05Å; I618-L621 PolarHBondContact O-N 2.82Å; I619-L621 VanDerWaalsContact C-N 3.3Å; I619-L621 PolarHBondContact O-N 3.18Å; L621-A624 PolarHBondContact O-N 2.94Å; L621-Y625 WeakPolarHBondContact O-CB 3.42Å; L621-Y625 PolarHBondContact O-N 3.36Å; L621-L699 HydrophobicContact CD1-CD1 4.49Å; L621-V709 HydrophobicContact CD2-CG1 4.12Å; L621-V709 HydrophobicContact CG-CG1 4.12Å; L621-M712 HydrophobicContact CD1-CB 4.45Å; L621-M712 HydrophobicContact CD1-CE 3.66Å; L621-M712 HydrophobicContact CD1-SD 4.34Å; L621-M712 HydrophobicContact CD2-CB 3.62Å; L621-L716 HydrophobicContact CB-CD1 4.3Å; L621-L716 HydrophobicContact CD2-CD1 3.84Å; L621-L790 HydrophobicContact CB-CD1 4.02Å; L621-L790 HydrophobicContact CB-CD2 4.37Å; L621-L790 HydrophobicContact CD1-CD1 4.23Å
622	R	84	Confident	80.5	Confident	38 Å²	38	29 Å²	29	14%	0.143	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-49.8	175.8	-72.2	169.9	64.6	86.9	-4.2	111.6	I618 I619 A624 Y625 L626 L820	I618-R622 WeakPolarHBondContact O-CG 3.4Å; I618-R622 PolarHBondContact O-N 2.93Å; I619-R622 PolarHBondContact O-N 3.03Å; R622-A624 PolarHBondContact O-N 3.29Å; R622-Y625 PolarHBondContact O-N 3.4Å; R622-L626 WeakPolarHBondContact O-CG 3.33Å; R622-L626 PolarHBondContact O-N 3.2Å; R622-L820 HydrophobicContact CB-CD2 4.37Å
623	A	75.2	Confident	80.5	Confident	3 Å²	3	28.6 Å²	28.6	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-43.8	176.8	0	0	0	0	0	112.1	I619 Y625 L626 L627	I619-A623 PolarHBondContact O-N 2.98Å; I619-A623 VanDerWaalsContact O-N 3.17Å; A623-Y625 VanDerWaalsContact C-N 3.32Å; A623-Y625 PolarHBondContact O-N 3.23Å; A623-L626 PolarHBondContact O-N 3.25Å; A623-L627 WeakPolarHBondContact O-CB 3.38Å; A623-L627 VanDerWaalsContact O-CG 3.28Å; A623-L627 WeakPolarHBondContact O-CG 3.36Å; A623-L627 PolarHBondContact O-N 2.85Å
624	A	86	Confident	80.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-36.5	175.7	0	0	0	0	0	112.6	T620 L621 R622 S628 I692 V695 A696 L699 L790	T620-A624 VanDerWaalsContact O-CB 3.29Å; T620-A624 WeakPolarHBondContact O-CB 3.36Å; T620-A624 PolarHBondContact O-N 3.38Å; L621-A624 PolarHBondContact O-N 2.94Å; R622-A624 PolarHBondContact O-N 3.29Å; A624-S628 WeakPolarHBondContact O-CB 3.37Å; A624-S628 PolarHBondContact O-N 3.09Å; A624-I692 HydrophobicContact CB-CG2 4.31Å; A624-V695 HydrophobicContact CB-CG1 4.27Å; A624-A696 WeakPolarHBondContact O-CA 3.44Å; A624-A696 WeakPolarHBondContact O-CB 3.48Å; A624-L699 HydrophobicContact CB-CD1 3.9Å; A624-L790 HydrophobicContact CB-CD1 4.25Å
625	Y	89.4	Confident	80.1	Confident	27 Å²	27	36 Å²	36	11%	0.106	20%	0.201	C	C	.	.	H	α-helix	trans	-69	-47.7	175.7	176.4	-115.6	0	0	0	112	L621 R622 A623 L627 S628 R629 V709	L621-Y625 WeakPolarHBondContact O-CB 3.42Å; L621-Y625 PolarHBondContact O-N 3.36Å; R622-Y625 PolarHBondContact O-N 3.4Å; A623-Y625 VanDerWaalsContact C-N 3.32Å; A623-Y625 PolarHBondContact O-N 3.23Å; Y625-L627 PolarHBondContact O-N 2.66Å; Y625-S628 WeakPolarHBondContact O-CA 3.44Å; Y625-S628 WeakPolarHBondContact O-CB 3.29Å; Y625-S628 PolarHBondContact O-N 3.3Å; Y625-S628 PolarHBondContact O-OG 3.43Å; Y625-R629 HydrophobicContact CD2-CG 4.42Å; Y625-R629 HydrophobicContact CE1-CG 4.18Å; Y625-R629 HydrophobicContact CE2-CG 4.04Å; Y625-R629 WeakPolarHBondContact O-CG 3.49Å; Y625-R629 PolarHBondContact O-N 3.23Å; Y625-V709 HydrophobicContact CD1-CG2 4.21Å; Y625-V709 HydrophobicContact CD2-CG2 3.49Å; Y625-V709 VanDerWaalsContact CD2-CG2 3.49Å; Y625-V709 HydrophobicContact CE2-CG2 3.86Å; Y625-V709 HydrophobicContact CG-CG2 3.68Å
626	L	80.2	Confident	79.7	Confident	63 Å²	63	37.9 Å²	37.9	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-57	-49.1	176.2	-69.3	173.5	0	0	0	111.3	R622 A623 S628 R629 I630 E819	R622-L626 WeakPolarHBondContact O-CG 3.33Å; R622-L626 PolarHBondContact O-N 3.2Å; A623-L626 PolarHBondContact O-N 3.25Å; L626-S628 PolarHBondContact O-N 3.11Å; L626-R629 PolarHBondContact O-N 3.45Å; L626-R629 VanDerWaalsContact O-N 3.08Å; L626-I630 WeakPolarHBondContact O-CG1 3.31Å; L626-I630 PolarHBondContact O-N 3.4Å; L626-E819 HydrophobicContact CD1-CG 4.36Å
627	L	80.1	Confident	79.1	Confident	26 Å²	26	37.9 Å²	37.9	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-33.6	173.1	-71.4	171.9	0	0	0	112.7	A623 Y625 A631 I692 R693 A696 W815	A623-L627 WeakPolarHBondContact O-CB 3.38Å; A623-L627 VanDerWaalsContact O-CG 3.28Å; A623-L627 WeakPolarHBondContact O-CG 3.36Å; A623-L627 PolarHBondContact O-N 2.85Å; Y625-L627 PolarHBondContact O-N 2.66Å; L627-A631 WeakPolarHBondContact O-CB 3.33Å; L627-A631 PolarHBondContact O-N 3.09Å; L627-I692 HydrophobicContact CD1-CG2 4.13Å; L627-R693 HydrophobicContact CD1-CG 4.48Å; L627-A696 HydrophobicContact CB-CB 3.6Å; L627-W815 HydrophobicContact CD1-CH2 4.33Å
628	S	84.8	Confident	77.5	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-38.2	175.5	84.9	0	0	0	0	112.4	A624 Y625 L626 A631 V632 A696	A624-S628 WeakPolarHBondContact O-CB 3.37Å; A624-S628 PolarHBondContact O-N 3.09Å; Y625-S628 WeakPolarHBondContact O-CA 3.44Å; Y625-S628 WeakPolarHBondContact O-CB 3.29Å; Y625-S628 PolarHBondContact O-N 3.3Å; Y625-S628 PolarHBondContact O-OG 3.43Å; L626-S628 PolarHBondContact O-N 3.11Å; S628-A631 PolarHBondContact O-N 3.19Å; S628-V632 WeakPolarHBondContact O-CG2 3.28Å; S628-V632 PolarHBondContact O-N 3.38Å; S628-V632 VanDerWaalsContact O-N 3.09Å; S628-A696 WeakPolarHBondContact CB-O 3.12Å
629	R	83.5	Confident	75.7	Confident	138 Å²	138	47 Å²	47	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-66.6	-41.4	175.9	-64.1	-59.1	-60.8	-178.7	-0.3	111.2	Y625 L626 V632 S633	Y625-R629 HydrophobicContact CD2-CG 4.42Å; Y625-R629 HydrophobicContact CE1-CG 4.18Å; Y625-R629 HydrophobicContact CE2-CG 4.04Å; Y625-R629 WeakPolarHBondContact O-CG 3.49Å; Y625-R629 PolarHBondContact O-N 3.23Å; L626-R629 PolarHBondContact O-N 3.45Å; L626-R629 VanDerWaalsContact O-N 3.08Å; R629-V632 PolarHBondContact O-N 3.1Å; R629-S633 PolarHBondContact O-N 2.95Å; R629-S633 PolarHBondContact O-OG 3.45Å
630	I	75.9	Confident	74.1	Confident	80 Å²	80	53.3 Å²	53.3	41%	0.41	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-42.6	174	-64.4	164.8	0	0	0	111	L626 V632 S633 L634	L626-I630 WeakPolarHBondContact O-CG1 3.31Å; L626-I630 PolarHBondContact O-N 3.4Å; I630-V632 VanDerWaalsContact C-N 3.27Å; I630-V632 PolarHBondContact O-N 2.83Å; I630-S633 PolarHBondContact O-N 3.47Å; I630-S633 PolarHBondContact O-OG 3.14Å; I630-S633 VanDerWaalsContact O-OG 3.13Å; I630-L634 HydrophobicContact CG2-CD1 3.72Å; I630-L634 HydrophobicContact CG2-CG 4.27Å; I630-L634 WeakPolarHBondContact O-CB 3.27Å; I630-L634 WeakPolarHBondContact O-CG 3.13Å; I630-L634 PolarHBondContact O-N 3.15Å
631	A	75.3	Confident	72.1	Confident	7 Å²	7	57.2 Å²	57.2	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-31.6	176.6	0	0	0	0	0	113.1	L627 S628 I636 L697	L627-A631 WeakPolarHBondContact O-CB 3.33Å; L627-A631 PolarHBondContact O-N 3.09Å; S628-A631 PolarHBondContact O-N 3.19Å; A631-I636 HydrophobicContact CB-CB 4.43Å; A631-I636 WeakPolarHBondContact O-CB 3.09Å; A631-I636 PolarHBondContact O-N 3.34Å; A631-L697 HydrophobicContact CB-CD2 3.87Å
632	V	76.3	Confident	69.5	Low	62 Å²	62	63.8 Å²	63.8	38%	0.376	37%	0.37	S	S	.	.	H	α-helix	trans	-75.6	-44.6	174.1	172.6	0	0	0	0	111.5	S628 R629 I630 L634 G635 A700	S628-V632 WeakPolarHBondContact O-CG2 3.28Å; S628-V632 PolarHBondContact O-N 3.38Å; S628-V632 VanDerWaalsContact O-N 3.09Å; R629-V632 PolarHBondContact O-N 3.1Å; I630-V632 VanDerWaalsContact C-N 3.27Å; I630-V632 PolarHBondContact O-N 2.83Å; V632-L634 VanDerWaalsContact C-N 3.3Å; V632-L634 PolarHBondContact O-N 3.14Å; V632-G635 PolarHBondContact O-N 3.4Å; V632-G635 VanDerWaalsContact O-N 3.08Å; V632-A700 HydrophobicContact CG2-CB 3.84Å
633	S	74.1	Confident	67.1	Low	94 Å²	94	69.2 Å²	69.2	66%	0.657	40%	0.402	S	S	*	.	H	α-helix	trans	-67.5	-28.7	-179.8	62.4	0	0	0	0	113.4	R629 I630 G635	R629-S633 PolarHBondContact O-N 2.95Å; R629-S633 PolarHBondContact O-OG 3.45Å; I630-S633 PolarHBondContact O-N 3.47Å; I630-S633 PolarHBondContact O-OG 3.14Å; I630-S633 VanDerWaalsContact O-OG 3.13Å; S633-G635 VanDerWaalsContact C-N 3.31Å
634	L	76.1	Confident	64.8	Low	116 Å²	116	75.2 Å²	75.2	61%	0.607	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.4	172.8	-65.3	176.5	0	0	0	114	I630 V632 I636	I630-L634 HydrophobicContact CG2-CD1 3.72Å; I630-L634 HydrophobicContact CG2-CG 4.27Å; I630-L634 WeakPolarHBondContact O-CB 3.27Å; I630-L634 WeakPolarHBondContact O-CG 3.13Å; I630-L634 PolarHBondContact O-N 3.15Å; V632-L634 VanDerWaalsContact C-N 3.3Å; V632-L634 PolarHBondContact O-N 3.14Å; L634-I636 HydrophobicContact CB-CD1 3.84Å; L634-I636 HydrophobicContact CB-CG1 3.89Å; L634-I636 HydrophobicContact CD1-CD1 3.93Å; L634-I636 PolarHBondContact O-N 3.31Å
635	G	73.1	Confident	62.2	Low	52 Å²	52	79.3 Å²	79.3	54%	0.536	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	19.8	-178.9	0	0	0	0	0	114.9	V632 S633 V637	V632-G635 PolarHBondContact O-N 3.4Å; V632-G635 VanDerWaalsContact O-N 3.08Å; S633-G635 VanDerWaalsContact C-N 3.31Å; G635-V637 PolarHBondContact O-N 3.09Å
636	I	69.5	Low	59.2	Low	66 Å²	66	86.6 Å²	86.6	34%	0.338	49%	0.489	S	S	.	.	S	Bend	trans	-72.8	-15.5	179.8	-61.6	171.9	0	0	0	111.3	A631 L634 L652 L697	A631-I636 HydrophobicContact CB-CB 4.43Å; A631-I636 WeakPolarHBondContact O-CB 3.09Å; A631-I636 PolarHBondContact O-N 3.34Å; L634-I636 HydrophobicContact CB-CD1 3.84Å; L634-I636 HydrophobicContact CB-CG1 3.89Å; L634-I636 HydrophobicContact CD1-CD1 3.93Å; L634-I636 PolarHBondContact O-N 3.31Å; I636-L652 HydrophobicContact CD1-CD2 3.94Å; I636-L652 HydrophobicContact CD1-CG 4.18Å; I636-L697 HydrophobicContact CG2-CD2 4.19Å
637	V	63	Low	56.8	Low	16 Å²	16	91.5 Å²	91.5	10%	0.097	51%	0.508	C	S	.	.	S	Bend	trans	-128.2	107.9	175.4	178.2	0	0	0	0	109	G635 S639 L697 A700 R701	G635-V637 PolarHBondContact O-N 3.09Å; V637-S639 PolarHBondContact O-N 3.28Å; V637-L697 HydrophobicContact CG2-CD2 3.87Å; V637-A700 HydrophobicContact CB-CB 4.35Å; V637-A700 HydrophobicContact CG1-CB 4.39Å; V637-A700 HydrophobicContact CG2-CB 3.95Å; V637-R701 HydrophobicContact CG1-CB 4.45Å; V637-R701 HydrophobicContact CG1-CG 3.49Å; V637-R701 VanDerWaalsContact CG1-CG 3.49Å; V637-R701 HydrophobicContact CG2-CG 4.38Å
638	D	53.6	Low	54.3	Low	97 Å²	97	96.3 Å²	96.3	52%	0.519	54%	0.538	S	S	.	.			trans	-60.8	127.6	171.7	-62.1	-70.7	0	0	0	111	N640	D638-N640 PolarHBondContact O-N 3.23Å; D638-N640 VanDerWaalsContact O-N 3.1Å
639	S	46.8	Very low	51.7	Low	100 Å²	100	102.1 Å²	102.1	70%	0.699	57%	0.574	S	S	*	*	S	Bend	trans	-65.7	-10.6	177.2	-43.9	0	0	0	0	113.7	V637	V637-S639 PolarHBondContact O-N 3.28Å
640	N	40.3	Very low	49.2	Very low	132 Å²	132	98.2 Å²	98.2	71%	0.706	57%	0.568	S	S	*	*	S	Bend	trans	-107.1	113.6	174.5	-66.9	-51.8	0	0	0	109	D638 H642	D638-N640 PolarHBondContact O-N 3.23Å; D638-N640 VanDerWaalsContact O-N 3.1Å; N640-H642 PolarHBondContact O-N 3.38Å
641	G	37.8	Very low	47.2	Very low	82 Å²	82	98.8 Å²	98.8	85%	0.845	58%	0.577	S	S	*	*			trans	-71.3	36.3	-169.5	0	0	0	0	0	117.4
642	H	35.3	Very low	45.4	Very low	139 Å²	139	103.3 Å²	103.3	64%	0.644	60%	0.6	S	S	*	*			trans	-130.9	132	-179.1	-72.4	-65.5	0	0	0	113.3	N640	N640-H642 PolarHBondContact O-N 3.38Å
643	N	33.2	Very low	43.3	Very low	151 Å²	151	106 Å²	106	81%	0.807	61%	0.611	S	S	*	*			trans	80.5	144.4	169.4	-50.7	-51	0	0	0	117.3
644	K	27.7	Very low	41.3	Very low	129 Å²	129	105 Å²	105	56%	0.561	61%	0.605	S	S	*	*			trans	-83.7	132.8	178.8	-74.4	159.4	164.1	147.4	0	111	E147 Q646	E147-K644 IonicContact OE1-NZ 2.83Å; E147-K644 PolarHBondContact OE1-NZ 3.38Å; E147-K644 IonicContact OE2-NZ 3.85Å; E147-K644 PolarHBondContact OE2-NZ 3.39Å; K644-Q646 PolarHBondContact O-N 3.41Å
645	P	30	Very low	39.2	Very low	87 Å²	87	102 Å²	102	57%	0.565	60%	0.597	S	S	*	*			trans	-71.9	113.4	144.3	-14.8	30.6	0	0	0	108.8	F647	P645-F647 HydrophobicContact CB-CD2 3.9Å; P645-F647 HydrophobicContact CB-CE2 4.32Å; P645-F647 PolarHBondContact O-N 3.17Å
646	Q	27.5	Very low	37.3	Very low	179 Å²	179	103.5 Å²	103.5	84%	0.836	59%	0.593	S	S	*	*			trans	-80.7	85.4	166.5	-73	-172.3	6.6	0	0	109.3	K644	K644-Q646 PolarHBondContact O-N 3.41Å
647	F	29.6	Very low	35.4	Very low	166 Å²	166	106.6 Å²	106.6	73%	0.728	61%	0.608	S	S	*	*			trans	-104.6	110.9	166.9	-81.6	-78.3	0	0	0	111.1	P645	P645-F647 HydrophobicContact CB-CD2 3.9Å; P645-F647 HydrophobicContact CB-CE2 4.32Å; P645-F647 PolarHBondContact O-N 3.17Å
648	T	27.2	Very low	33.8	Very low	127 Å²	127	115.1 Å²	115.1	78%	0.779	65%	0.645	S	S	*	*	S	Bend	trans	-70.3	133.8	162.7	46.4	0	0	0	0	109.1
649	T	30.2	Very low	32.9	Very low	125 Å²	125	115.2 Å²	115.2	77%	0.767	65%	0.648	S	S	*	*	S	Bend	trans	67.5	140.7	-166.6	66	0	0	0	0	113.5
650	S	31.9	Very low	32	Very low	55 Å²	55	118.1 Å²	118.1	39%	0.385	65%	0.651	S	S	.	*			trans	-88.4	123.1	-164	-13.5	0	0	0	0	111.5	L652 D653	S650-L652 PolarHBondContact O-N 3.38Å; S650-L652 VanDerWaalsContact O-N 3.17Å; S650-D653 WeakPolarHBondContact CB-OD2 3.47Å; S650-D653 PolarHBondContact O-N 2.92Å; S650-D653 PolarHBondContact OG-OD2 3.03Å
651	P	33	Very low	31.4	Very low	93 Å²	93	118.8 Å²	118.8	60%	0.604	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-59.4	-27.5	171.9	-25.6	35.6	0	0	0	113.3	D653 S654 A655	P651-D653 VanDerWaalsContact C-N 3.25Å; P651-D653 PolarHBondContact O-N 2.89Å; P651-S654 PolarHBondContact O-N 3.11Å; P651-A655 PolarHBondContact O-N 2.76Å
652	L	37.1	Very low	31	Very low	102 Å²	102	120.8 Å²	120.8	53%	0.534	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-66.7	-19.8	173.3	-80.9	156.6	0	0	0	114.3	I636 S650	I636-L652 HydrophobicContact CD1-CD2 3.94Å; I636-L652 HydrophobicContact CD1-CG 4.18Å; S650-L652 PolarHBondContact O-N 3.38Å; S650-L652 VanDerWaalsContact O-N 3.17Å
653	D	33	Very low	30.6	Very low	117 Å²	117	120 Å²	120	63%	0.626	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-104.2	17.1	174.7	-56.4	-49.6	0	0	0	111	S650 P651	S650-D653 WeakPolarHBondContact CB-OD2 3.47Å; S650-D653 PolarHBondContact O-N 2.92Å; S650-D653 PolarHBondContact OG-OD2 3.03Å; P651-D653 VanDerWaalsContact C-N 3.25Å; P651-D653 PolarHBondContact O-N 2.89Å
654	S	31.5	Very low	30.2	Very low	74 Å²	74	118.1 Å²	118.1	52%	0.517	66%	0.656	S	S	.	*	S	Bend	trans	-147.1	10.7	-175.1	-63.8	0	0	0	0	114.7	P651 D656	P651-S654 PolarHBondContact O-N 3.11Å; S654-D656 PolarHBondContact O-N 3.03Å
655	A	33	Very low	30.3	Very low	53 Å²	53	121 Å²	121	44%	0.438	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-73.4	-0.6	174.6	0	0	0	0	0	113.7	P651 I657	P651-A655 PolarHBondContact O-N 2.76Å; A655-I657 PolarHBondContact O-N 2.74Å; A655-I657 VanDerWaalsContact O-N 3.17Å
656	D	31.5	Very low	30.3	Very low	84 Å²	84	125.5 Å²	125.5	45%	0.449	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-69.2	-12.9	-170.9	-62.2	5	0	0	0	114.6	S654 N675	S654-D656 PolarHBondContact O-N 3.03Å; D656-N675 WeakPolarHBondContact OD1-CB 2.78Å; D656-N675 PolarHBondContact OD1-ND2 3.47Å
657	I	30.1	Very low	30.4	Very low	131 Å²	131	126.2 Å²	126.2	67%	0.672	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-99.5	-22.6	-168.5	-65.5	175.1	0	0	0	113	A655	A655-I657 PolarHBondContact O-N 2.74Å; A655-I657 VanDerWaalsContact O-N 3.17Å
658	F	29	Very low	30.2	Very low	195 Å²	195	126.1 Å²	126.1	86%	0.855	70%	0.695	S	S	*	*	S	Bend	trans	-94.2	-0.6	-168.2	-128.2	-90.3	0	0	0	116.1
659	V	34.3	Very low	30.2	Very low	99 Å²	99	126.3 Å²	126.3	60%	0.6	70%	0.695	S	S	*	*	S	Bend	trans	-98.6	-10.3	-175.8	-173.7	0	0	0	0	112.9	N661	V659-N661 VanDerWaalsContact C-N 3.3Å; V659-N661 PolarHBondContact O-N 2.73Å
660	Q	28.8	Very low	30.2	Very low	160 Å²	160	125.2 Å²	125.2	75%	0.748	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	2.3	-169.1	-64.7	-176.2	-13.9	0	0	116
661	N	27.5	Very low	30.1	Very low	146 Å²	146	127.5 Å²	127.5	78%	0.781	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	24.3	-168	-77	-45.3	0	0	0	115.4	V659	V659-N661 VanDerWaalsContact C-N 3.3Å; V659-N661 PolarHBondContact O-N 2.73Å
662	V	29.4	Very low	30.1	Very low	125 Å²	125	128.3 Å²	128.3	76%	0.758	72%	0.718	S	S	*	*			trans	-89.4	120.9	173.6	-176.7	0	0	0	0	110.1
663	P	26.4	Very low	29.9	Very low	121 Å²	121	126.7 Å²	126.7	79%	0.786	71%	0.709	S	S	*	*			trans	-65.1	138.5	-176.4	-24.4	35.5	0	0	0	114.6	H665	P663-H665 PolarHBondContact O-N 3.31Å; P663-H665 VanDerWaalsContact O-N 3.1Å
664	S	26.4	Very low	29.8	Very low	113 Å²	113	124 Å²	124	79%	0.79	70%	0.698	S	S	*	*	S	Bend	trans	-83.2	77.7	-173.1	57.5	0	0	0	0	113.9
665	H	30.1	Very low	29.9	Very low	189 Å²	189	123.4 Å²	123.4	88%	0.875	69%	0.689	S	S	*	*			trans	-154.1	53	165.3	-94.2	-53.8	0	0	0	114.3	P663	P663-H665 PolarHBondContact O-N 3.31Å; P663-H665 VanDerWaalsContact O-N 3.1Å
666	Q	28.7	Very low	30	Very low	182 Å²	182	126.1 Å²	126.1	85%	0.85	70%	0.696	S	S	*	*			trans	-152.9	113.4	163.2	-112.4	165.5	6.1	0	0	110.9	N668	Q666-N668 PolarHBondContact O-N 3.03Å
667	H	28.9	Very low	30.2	Very low	194 Å²	194	125.1 Å²	125.1	90%	0.898	69%	0.69	S	S	*	*	S	Bend	trans	-80.1	95.3	175.9	-86.5	-98.1	0	0	0	110.4
668	N	26.8	Very low	30.3	Very low	164 Å²	164	121.6 Å²	121.6	88%	0.877	67%	0.669	S	S	*	*			trans	176.7	55.1	144.8	-90.8	-13.2	0	0	0	111.1	Q666	Q666-N668 PolarHBondContact O-N 3.03Å
669	V	27.1	Very low	30.4	Very low	131 Å²	131	117.3 Å²	117.3	79%	0.794	66%	0.66	S	S	*	*			trans	-120	83	175.4	-173.1	0	0	0	0	109.4
670	A	29.9	Very low	30.3	Very low	101 Å²	101	120 Å²	120	84%	0.835	67%	0.666	S	S	*	*			trans	-140	125.9	176.3	0	0	0	0	0	109.3
671	S	28.9	Very low	30.4	Very low	103 Å²	103	114.1 Å²	114.1	72%	0.72	64%	0.64	S	S	*	*			cis	-140	126.8	-5.7	58	0	0	0	0	111.3
672	V	33.2	Very low	30.6	Very low	111 Å²	111	109.6 Å²	109.6	67%	0.673	63%	0.628	S	S	*	*			trans	-74.9	121	166	176.3	0	0	0	0	106.9	P674	V672-P674 WeakPolarHBondContact O-CD 3.49Å
673	I	32.9	Very low	31	Very low	67 Å²	67	105.4 Å²	105.4	34%	0.344	60%	0.603	S	S	.	*			trans	-73.9	113.2	173.4	-54.9	179.2	0	0	0	107.8	I677 Y678	I673-I677 HydrophobicContact CG2-CB 4.32Å; I673-I677 HydrophobicContact CG2-CD1 4.43Å; I673-Y678 HydrophobicContact CB-CE2 4.24Å; I673-Y678 HydrophobicContact CG2-CD2 4.43Å; I673-Y678 HydrophobicContact CG2-CE2 3.75Å
674	P	32.3	Very low	31.7	Very low	62 Å²	62	100.8 Å²	100.8	40%	0.403	57%	0.573	S	S	.	*			trans	-70.4	143	-179.7	28.9	-34.7	0	0	0	111.4	V672 N676 I677	V672-P674 WeakPolarHBondContact O-CD 3.49Å; P674-N676 WeakPolarHBondContact CB-OD1 3.28Å; P674-N676 WeakPolarHBondContact CG-OD1 3.39Å; P674-N676 PolarHBondContact O-N 3.28Å; P674-I677 HydrophobicContact CG-CD1 3.79Å; P674-I677 HydrophobicContact CG-CG1 4.03Å; P674-I677 PolarHBondContact O-N 3.12Å
675	N	33	Very low	32.5	Very low	61 Å²	61	98.2 Å²	98.2	33%	0.326	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-54.7	-29.6	-175.4	-79.8	-22.6	0	0	0	114.1	D656 I677 Y678 P679	D656-N675 WeakPolarHBondContact OD1-CB 2.78Å; D656-N675 PolarHBondContact OD1-ND2 3.47Å; N675-I677 PolarHBondContact O-N 3.49Å; N675-Y678 WeakPolarHBondContact O-CB 3.44Å; N675-Y678 PolarHBondContact O-N 3.22Å; N675-P679 WeakPolarHBondContact O-CD 3.39Å
676	N	35.8	Very low	33.5	Very low	109 Å²	109	94.5 Å²	94.5	58%	0.583	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-66.8	-13.6	178.1	67.3	-11.5	0	0	0	114.4	P674 P679	P674-N676 WeakPolarHBondContact CB-OD1 3.28Å; P674-N676 WeakPolarHBondContact CG-OD1 3.39Å; P674-N676 PolarHBondContact O-N 3.28Å; N676-P679 WeakPolarHBondContact O-CD 3.19Å
677	I	35	Very low	35	Very low	64 Å²	64	90.6 Å²	90.6	33%	0.328	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-80.5	-25.2	169.5	-59.9	179.3	0	0	0	110.9	I673 P674 N675 Q680 L681	I673-I677 HydrophobicContact CG2-CB 4.32Å; I673-I677 HydrophobicContact CG2-CD1 4.43Å; P674-I677 HydrophobicContact CG-CD1 3.79Å; P674-I677 HydrophobicContact CG-CG1 4.03Å; P674-I677 PolarHBondContact O-N 3.12Å; N675-I677 PolarHBondContact O-N 3.49Å; I677-Q680 CarbonylContact O-C 3.57Å; I677-Q680 VanDerWaalsContact O-CA 3.31Å; I677-Q680 WeakPolarHBondContact O-CA 3.5Å; I677-Q680 WeakPolarHBondContact O-CB 3.08Å; I677-Q680 PolarHBondContact O-N 2.86Å; I677-L681 HydrophobicContact CG2-CD2 3.73Å; I677-L681 HydrophobicContact CG2-CG 4.43Å; I677-L681 WeakPolarHBondContact O-CG 3.17Å; I677-L681 PolarHBondContact O-N 3.36Å
678	Y	31.8	Very low	36.6	Very low	57 Å²	57	81.5 Å²	81.5	22%	0.224	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.9	-176	-72	-102.6	0	0	0	115.3	I673 N675 Q680 L681	I673-Y678 HydrophobicContact CB-CE2 4.24Å; I673-Y678 HydrophobicContact CG2-CD2 4.43Å; I673-Y678 HydrophobicContact CG2-CE2 3.75Å; N675-Y678 WeakPolarHBondContact O-CB 3.44Å; N675-Y678 PolarHBondContact O-N 3.22Å; Y678-Q680 VanDerWaalsContact C-N 3.32Å; Y678-L681 HydrophobicContact CD1-CD1 3.48Å; Y678-L681 VanDerWaalsContact CD1-CD1 3.48Å; Y678-L681 HydrophobicContact CE1-CD1 3.96Å; Y678-L681 HydrophobicContact CG-CD1 3.84Å
679	P	31.9	Very low	38.3	Very low	104 Å²	104	74.8 Å²	74.8	68%	0.675	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.1	165.7	-24.7	35.7	0	0	0	114.8	N675 N676	N675-P679 WeakPolarHBondContact O-CD 3.39Å; N676-P679 WeakPolarHBondContact O-CD 3.19Å
680	Q	32.8	Very low	40.3	Very low	156 Å²	156	74.1 Å²	74.1	73%	0.729	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.7	179.4	-60.8	-175.8	-6	0	0	113.2	I677 Y678 G682	I677-Q680 CarbonylContact O-C 3.57Å; I677-Q680 VanDerWaalsContact O-CA 3.31Å; I677-Q680 WeakPolarHBondContact O-CA 3.5Å; I677-Q680 WeakPolarHBondContact O-CB 3.08Å; I677-Q680 PolarHBondContact O-N 2.86Å; Y678-Q680 VanDerWaalsContact C-N 3.32Å; Q680-G682 PolarHBondContact O-N 2.89Å
681	L	30.3	Very low	42.6	Very low	36 Å²	36	72.7 Å²	72.7	19%	0.188	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	3.4	165.3	-47.7	177.6	0	0	0	113.3	I677 Y678 T683 W815	I677-L681 HydrophobicContact CG2-CD2 3.73Å; I677-L681 HydrophobicContact CG2-CG 4.43Å; I677-L681 WeakPolarHBondContact O-CG 3.17Å; I677-L681 PolarHBondContact O-N 3.36Å; Y678-L681 HydrophobicContact CD1-CD1 3.48Å; Y678-L681 VanDerWaalsContact CD1-CD1 3.48Å; Y678-L681 HydrophobicContact CE1-CD1 3.96Å; Y678-L681 HydrophobicContact CG-CD1 3.84Å; L681-T683 PolarHBondContact O-N 3.49Å; L681-T683 VanDerWaalsContact O-N 3.08Å; L681-W815 HydrophobicContact CB-CB 3.9Å; L681-W815 HydrophobicContact CB-CG 3.86Å; L681-W815 HydrophobicContact CD1-CB 4.1Å; L681-W815 HydrophobicContact CD1-CD2 3.76Å; L681-W815 HydrophobicContact CD1-CE3 4.1Å; L681-W815 HydrophobicContact CD1-CG 3.74Å; L681-W815 HydrophobicContact CD2-CB 3.61Å; L681-W815 HydrophobicContact CD2-CG 4.19Å; L681-W815 HydrophobicContact CG-CB 4.02Å; L681-W815 HydrophobicContact CG-CG 4.09Å
682	G	30.4	Very low	45	Very low	51 Å²	51	67.9 Å²	67.9	53%	0.526	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	24.8	-167	0	0	0	0	0	116.6	Q680 S684	Q680-G682 PolarHBondContact O-N 2.89Å; G682-S684 VanDerWaalsContact C-N 3.33Å; G682-S684 CarbonylContact C-O 3.57Å
683	T	39.1	Very low	47.1	Very low	38 Å²	38	67.7 Å²	67.7	23%	0.233	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.2	175	55.6	0	0	0	0	113.5	L681 K804 E811 Q812	L681-T683 PolarHBondContact O-N 3.49Å; L681-T683 VanDerWaalsContact O-N 3.08Å; T683-K804 PolarHBondContact O-NZ 3.33Å; T683-E811 WeakPolarHBondContact CG2-O 3.29Å; T683-E811 PolarHBondContact OG1-O 2.7Å; T683-Q812 HydrophobicContact CG2-CG 4.2Å
684	S	41.2	Very low	49.4	Very low	24 Å²	24	66.7 Å²	66.7	17%	0.168	37%	0.366	C	S	.	.	S	Bend	trans	-105.2	162.2	156.2	68.7	0	0	0	0	110.7	G682	G682-S684 VanDerWaalsContact C-N 3.33Å; G682-S684 CarbonylContact C-O 3.57Å
685	D	42.3	Very low	52.1	Low	58 Å²	58	63.8 Å²	63.8	31%	0.31	35%	0.348	S	S	.	.			trans	-66.8	151.7	-168.3	111.9	-31.6	0	0	0	113.6	K687 C688	D685-K687 PolarHBondContact O-N 3.42Å; D685-K687 WeakPolarHBondContact OD1-CA 3.23Å; D685-K687 VanDerWaalsContact OD1-CB 3.24Å; D685-K687 WeakPolarHBondContact OD1-CB 3.18Å; D685-K687 PolarHBondContact OD1-N 3.48Å; D685-K687 WeakPolarHBondContact OD2-CG 3.24Å; D685-K687 IonicContact OD2-NZ 2.73Å; D685-K687 PolarHBondContact OD2-NZ 2.99Å; D685-C688 PolarHBondContact O-N 3.45Å; D685-C688 VanDerWaalsContact O-N 3.11Å; D685-C688 PolarHBondContact OD1-N 3.15Å
686	V	51.4	Low	54.7	Low	111 Å²	111	61 Å²	61	67%	0.673	33%	0.334	S	S	*	.	H	α-helix	trans	-60.6	-13.8	-175.5	178.9	0	0	0	0	112.8	Q690	V686-Q690 VanDerWaalsContact O-CD 3.32Å; V686-Q690 VanDerWaalsContact O-CG 3.28Å; V686-Q690 WeakPolarHBondContact O-CG 3.39Å
687	K	59.9	Low	57.2	Low	101 Å²	101	57.9 Å²	57.9	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-85.7	-39	178.7	-43.7	-176.5	-161.3	88.6	0	111.4	D685 A689 Q690 M691	D685-K687 PolarHBondContact O-N 3.42Å; D685-K687 WeakPolarHBondContact OD1-CA 3.23Å; D685-K687 VanDerWaalsContact OD1-CB 3.24Å; D685-K687 WeakPolarHBondContact OD1-CB 3.18Å; D685-K687 PolarHBondContact OD1-N 3.48Å; D685-K687 WeakPolarHBondContact OD2-CG 3.24Å; D685-K687 IonicContact OD2-NZ 2.73Å; D685-K687 PolarHBondContact OD2-NZ 2.99Å; K687-A689 PolarHBondContact O-N 3.14Å; K687-Q690 WeakPolarHBondContact O-CB 3.38Å; K687-Q690 PolarHBondContact O-N 3.02Å; K687-Q690 VanDerWaalsContact O-N 3.12Å; K687-M691 WeakPolarHBondContact O-CG 3.43Å; K687-M691 PolarHBondContact O-N 2.85Å
688	C	63.1	Low	59.9	Low	2 Å²	2	58.3 Å²	58.3	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-51.1	-55.7	179.8	175.6	0	0	0	0	112.2	D685 Q690 M691 I692 N797	D685-C688 PolarHBondContact O-N 3.45Å; D685-C688 VanDerWaalsContact O-N 3.11Å; D685-C688 PolarHBondContact OD1-N 3.15Å; C688-Q690 VanDerWaalsContact C-N 3.3Å; C688-Q690 PolarHBondContact O-N 3.3Å; C688-M691 PolarHBondContact O-N 3.09Å; C688-M691 VanDerWaalsContact O-N 3.11Å; C688-I692 WeakPolarHBondContact O-CG1 3.35Å; C688-I692 PolarHBondContact O-N 3.18Å; C688-N797 PolarHBondContact SG-ND2 3.48Å
689	A	63.2	Low	62.8	Low	23 Å²	23	55.6 Å²	55.6	19%	0.19	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-33.6	179.3	0	0	0	0	0	113.2	K687 R693	K687-A689 PolarHBondContact O-N 3.14Å; A689-R693 WeakPolarHBondContact O-CB 3.47Å; A689-R693 VanDerWaalsContact O-CG 3.3Å; A689-R693 WeakPolarHBondContact O-CG 3.21Å; A689-R693 PolarHBondContact O-N 3.49Å
690	Q	67.3	Low	65.5	Low	117 Å²	117	51.1 Å²	51.1	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-39.1	174.4	-69.8	175.7	-2.9	0	0	111.9	V686 K687 C688 A694	V686-Q690 VanDerWaalsContact O-CD 3.32Å; V686-Q690 VanDerWaalsContact O-CG 3.28Å; V686-Q690 WeakPolarHBondContact O-CG 3.39Å; K687-Q690 WeakPolarHBondContact O-CB 3.38Å; K687-Q690 PolarHBondContact O-N 3.02Å; K687-Q690 VanDerWaalsContact O-N 3.12Å; C688-Q690 VanDerWaalsContact C-N 3.3Å; C688-Q690 PolarHBondContact O-N 3.3Å; Q690-A694 WeakPolarHBondContact O-CB 3.25Å; Q690-A694 PolarHBondContact O-N 3.08Å
691	M	78.8	Confident	68.2	Low	72 Å²	72	50.3 Å²	50.3	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-69	-41.3	176.9	-63.9	-173.8	-63.9	0	0	111.7	K687 C688 A694 V695 I793	K687-M691 WeakPolarHBondContact O-CG 3.43Å; K687-M691 PolarHBondContact O-N 2.85Å; C688-M691 PolarHBondContact O-N 3.09Å; C688-M691 VanDerWaalsContact O-N 3.11Å; M691-A694 WeakPolarHBondContact O-CB 3.46Å; M691-A694 PolarHBondContact O-N 3.4Å; M691-A694 VanDerWaalsContact O-N 3.15Å; M691-V695 PolarHBondContact O-N 3.1Å; M691-I793 HydrophobicContact CB-CD1 3.57Å; M691-I793 HydrophobicContact CB-CG1 3.72Å; M691-I793 HydrophobicContact CE-CG1 4.31Å; M691-I793 HydrophobicContact CE-CG2 4.47Å; M691-I793 HydrophobicContact SD-CG1 4.28Å
692	I	79.1	Confident	71	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-45.3	174.8	-63.6	171.7	0	0	0	110.7	T620 A624 L627 C688 A694 V695 A696 I793 Y816	T620-I692 HydrophobicContact CG2-CD1 4.03Å; T620-I692 HydrophobicContact CG2-CG1 3.95Å; A624-I692 HydrophobicContact CB-CG2 4.31Å; L627-I692 HydrophobicContact CD1-CG2 4.13Å; C688-I692 WeakPolarHBondContact O-CG1 3.35Å; C688-I692 PolarHBondContact O-N 3.18Å; I692-A694 VanDerWaalsContact C-N 3.29Å; I692-A694 PolarHBondContact O-N 3.48Å; I692-V695 PolarHBondContact O-N 2.77Å; I692-V695 VanDerWaalsContact O-N 3.16Å; I692-A696 PolarHBondContact O-N 3.24Å; I692-I793 HydrophobicContact CG1-CG2 4.07Å; I692-Y816 HydrophobicContact CD1-CD1 4.31Å; I692-Y816 HydrophobicContact CD1-CE1 4.01Å
693	R	77.4	Confident	73.9	Confident	107 Å²	107	50.5 Å²	50.5	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-36.9	173.2	-73.5	171.6	179.4	148.3	-5.5	112.5	L627 A689 V695 A696 L697	L627-R693 HydrophobicContact CD1-CG 4.48Å; A689-R693 WeakPolarHBondContact O-CB 3.47Å; A689-R693 VanDerWaalsContact O-CG 3.3Å; A689-R693 WeakPolarHBondContact O-CG 3.21Å; A689-R693 PolarHBondContact O-N 3.49Å; R693-V695 VanDerWaalsContact C-N 3.34Å; R693-A696 PolarHBondContact O-N 3.36Å; R693-L697 WeakPolarHBondContact O-CG 3.35Å; R693-L697 PolarHBondContact O-N 2.72Å
694	A	81.8	Confident	76.5	Confident	45 Å²	45	49 Å²	49	37%	0.372	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-33.8	176.4	0	0	0	0	0	112.7	Q690 M691 I692 K698	Q690-A694 WeakPolarHBondContact O-CB 3.25Å; Q690-A694 PolarHBondContact O-N 3.08Å; M691-A694 WeakPolarHBondContact O-CB 3.46Å; M691-A694 PolarHBondContact O-N 3.4Å; M691-A694 VanDerWaalsContact O-N 3.15Å; I692-A694 VanDerWaalsContact C-N 3.29Å; I692-A694 PolarHBondContact O-N 3.48Å; A694-K698 WeakPolarHBondContact O-CG 3.42Å; A694-K698 PolarHBondContact O-N 3.44Å
695	V	89.5	Confident	78.8	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-71.1	-46	170.2	177.2	0	0	0	0	110.7	A624 M691 I692 R693 L697 K698 L699 E789 L790 I793	A624-V695 HydrophobicContact CB-CG1 4.27Å; M691-V695 PolarHBondContact O-N 3.1Å; I692-V695 PolarHBondContact O-N 2.77Å; I692-V695 VanDerWaalsContact O-N 3.16Å; R693-V695 VanDerWaalsContact C-N 3.34Å; V695-L697 VanDerWaalsContact C-N 3.31Å; V695-L697 PolarHBondContact O-N 2.92Å; V695-K698 CarbonylContact O-C 3.57Å; V695-K698 WeakPolarHBondContact O-CA 3.21Å; V695-K698 VanDerWaalsContact O-CB 3.32Å; V695-K698 WeakPolarHBondContact O-CB 3.33Å; V695-K698 PolarHBondContact O-N 3.48Å; V695-L699 HydrophobicContact CG1-CD1 4.37Å; V695-L699 HydrophobicContact CG1-CD2 4.45Å; V695-L699 HydrophobicContact CG1-CG 4.21Å; V695-L699 WeakPolarHBondContact O-CG 3.48Å; V695-L699 PolarHBondContact O-N 2.64Å; V695-E789 HydrophobicContact CG2-CB 4.15Å; V695-L790 HydrophobicContact CG1-CB 4.42Å; V695-L790 HydrophobicContact CG1-CD1 4.19Å; V695-I793 HydrophobicContact CG2-CD1 3.69Å
696	A	87.6	Confident	81.2	Confident	3 Å²	3	50 Å²	50	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-45.1	177.1	0	0	0	0	0	112.6	A624 L627 S628 I692 R693 K698 L699 A700	A624-A696 WeakPolarHBondContact O-CA 3.44Å; A624-A696 WeakPolarHBondContact O-CB 3.48Å; L627-A696 HydrophobicContact CB-CB 3.6Å; S628-A696 WeakPolarHBondContact CB-O 3.12Å; I692-A696 PolarHBondContact O-N 3.24Å; R693-A696 PolarHBondContact O-N 3.36Å; A696-K698 PolarHBondContact O-N 3.28Å; A696-L699 PolarHBondContact O-N 3.14Å; A696-A700 PolarHBondContact O-N 3.43Å
697	L	87	Confident	83.3	Confident	42 Å²	42	46 Å²	46	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-70.1	-11.7	174.7	-67.4	174.5	0	0	0	114.2	A631 I636 V637 R693 V695 R701	A631-L697 HydrophobicContact CB-CD2 3.87Å; I636-L697 HydrophobicContact CG2-CD2 4.19Å; V637-L697 HydrophobicContact CG2-CD2 3.87Å; R693-L697 WeakPolarHBondContact O-CG 3.35Å; R693-L697 PolarHBondContact O-N 2.72Å; V695-L697 VanDerWaalsContact C-N 3.31Å; V695-L697 PolarHBondContact O-N 2.92Å; L697-R701 WeakPolarHBondContact O-CB 3.37Å; L697-R701 VanDerWaalsContact O-CD 3.31Å; L697-R701 WeakPolarHBondContact O-CD 3.44Å; L697-R701 WeakPolarHBondContact O-CG 3.38Å; L697-R701 PolarHBondContact O-NH1 2.95Å
698	K	91.8	Very high	85	Confident	73 Å²	73	41.2 Å²	41.2	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-87.6	-40.9	168.2	-73.6	170.4	-178.4	174.8	0	111.4	A694 V695 A696 A700 R701 L702 A786 E789	A694-K698 WeakPolarHBondContact O-CG 3.42Å; A694-K698 PolarHBondContact O-N 3.44Å; V695-K698 CarbonylContact O-C 3.57Å; V695-K698 WeakPolarHBondContact O-CA 3.21Å; V695-K698 VanDerWaalsContact O-CB 3.32Å; V695-K698 WeakPolarHBondContact O-CB 3.33Å; V695-K698 PolarHBondContact O-N 3.48Å; A696-K698 PolarHBondContact O-N 3.28Å; K698-A700 VanDerWaalsContact C-N 3.34Å; K698-R701 CarbonylContact O-C 3.44Å; K698-R701 PolarHBondContact O-N 3.46Å; K698-L702 WeakPolarHBondContact O-CB 3.38Å; K698-L702 VanDerWaalsContact O-CG 3.31Å; K698-L702 WeakPolarHBondContact O-CG 3.39Å; K698-L702 PolarHBondContact O-N 2.87Å; K698-A786 HydrophobicContact CB-CB 4.47Å; K698-E789 IonicContact NZ-OE1 3.44Å; K698-E789 PolarHBondContact NZ-OE1 2.73Å; K698-E789 IonicContact NZ-OE2 3.48Å; K698-E789 PolarHBondContact NZ-OE2 3.47Å
699	L	92.7	Very high	86.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-45.2	174	-56.6	179.8	0	0	0	110.8	L621 A624 V695 A696 R701 L702 E703 I704 M712 A786	L621-L699 HydrophobicContact CD1-CD1 4.49Å; A624-L699 HydrophobicContact CB-CD1 3.9Å; V695-L699 HydrophobicContact CG1-CD1 4.37Å; V695-L699 HydrophobicContact CG1-CD2 4.45Å; V695-L699 HydrophobicContact CG1-CG 4.21Å; V695-L699 WeakPolarHBondContact O-CG 3.48Å; V695-L699 PolarHBondContact O-N 2.64Å; A696-L699 PolarHBondContact O-N 3.14Å; L699-R701 PolarHBondContact O-N 2.84Å; L699-L702 PolarHBondContact O-N 3.2Å; L699-L702 VanDerWaalsContact O-N 3.16Å; L699-E703 PolarHBondContact O-N 3.07Å; L699-I704 HydrophobicContact CB-CB 4.19Å; L699-I704 HydrophobicContact CB-CG1 4Å; L699-I704 HydrophobicContact CD2-CG1 3.89Å; L699-I704 WeakPolarHBondContact O-CG1 3.5Å; L699-I704 PolarHBondContact O-N 2.95Å; L699-M712 HydrophobicContact CD2-CE 3.99Å; L699-A786 HydrophobicContact CD2-CB 4.22Å
700	A	88.9	Confident	88.1	Confident	9 Å²	9	40 Å²	40	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-49.8	173.9	0	0	0	0	0	112.2	V632 V637 A696 K698 L702 E703	V632-A700 HydrophobicContact CG2-CB 3.84Å; V637-A700 HydrophobicContact CB-CB 4.35Å; V637-A700 HydrophobicContact CG1-CB 4.39Å; V637-A700 HydrophobicContact CG2-CB 3.95Å; A696-A700 PolarHBondContact O-N 3.43Å; K698-A700 VanDerWaalsContact C-N 3.34Å; A700-L702 PolarHBondContact O-N 3.24Å; A700-E703 PolarHBondContact O-N 3.32Å; A700-E703 VanDerWaalsContact O-N 3.09Å
701	R	88.7	Confident	89.5	Confident	140 Å²	140	34.5 Å²	34.5	53%	0.528	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.2	178.2	-72.2	178.6	-175	124.4	-4.7	115.3	V637 L697 K698 L699 R782	V637-R701 HydrophobicContact CG1-CB 4.45Å; V637-R701 HydrophobicContact CG1-CG 3.49Å; V637-R701 VanDerWaalsContact CG1-CG 3.49Å; V637-R701 HydrophobicContact CG2-CG 4.38Å; L697-R701 WeakPolarHBondContact O-CB 3.37Å; L697-R701 VanDerWaalsContact O-CD 3.31Å; L697-R701 WeakPolarHBondContact O-CD 3.44Å; L697-R701 WeakPolarHBondContact O-CG 3.38Å; L697-R701 PolarHBondContact O-NH1 2.95Å; K698-R701 CarbonylContact O-C 3.44Å; K698-R701 PolarHBondContact O-N 3.46Å; L699-R701 PolarHBondContact O-N 2.84Å; R701-R782 PolarHBondContact O-NH2 3.4Å
702	L	90.3	Very high	90.4	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-0.4	173.9	-75.4	169.7	0	0	0	112.1	K698 L699 A700 I704 R750 Y779 R782 I783	K698-L702 WeakPolarHBondContact O-CB 3.38Å; K698-L702 VanDerWaalsContact O-CG 3.31Å; K698-L702 WeakPolarHBondContact O-CG 3.39Å; K698-L702 PolarHBondContact O-N 2.87Å; L699-L702 PolarHBondContact O-N 3.2Å; L699-L702 VanDerWaalsContact O-N 3.16Å; A700-L702 PolarHBondContact O-N 3.24Å; L702-I704 HydrophobicContact CB-CD1 3.8Å; L702-I704 HydrophobicContact CB-CG1 3.82Å; L702-I704 PolarHBondContact O-N 2.91Å; L702-R750 PolarHBondContact O-NH2 3.38Å; L702-Y779 HydrophobicContact CD2-CD1 4.05Å; L702-R782 HydrophobicContact CD1-CB 4.14Å; L702-R782 HydrophobicContact CD2-CB 3.71Å; L702-I783 HydrophobicContact CD1-CG1 4.26Å
703	E	90.7	Very high	91.2	Very high	88 Å²	88	31 Å²	31	41%	0.411	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	44.4	-173.2	-58.3	178.4	178.1	0	0	112.2	L699 A700 D705 R753	L699-E703 PolarHBondContact O-N 3.07Å; A700-E703 PolarHBondContact O-N 3.32Å; A700-E703 VanDerWaalsContact O-N 3.09Å; E703-D705 PolarHBondContact O-N 3.43Å; E703-R753 PolarHBondContact O-NH1 2.88Å; E703-R753 PolarHBondContact O-NH2 2.89Å; E703-R753 IonicContact OE2-CZ 2.76Å; E703-R753 IonicContact OE2-NH1 3.64Å; E703-R753 PolarHBondContact OE2-NH1 3.04Å
704	I	93.2	Very high	92.1	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	13%	0.128	C	C	.	.			trans	-60.9	122.3	177.9	-60.4	-59.7	0	0	0	108.7	L699 L702 E708 V709 M712 I783	L699-I704 HydrophobicContact CB-CB 4.19Å; L699-I704 HydrophobicContact CB-CG1 4Å; L699-I704 HydrophobicContact CD2-CG1 3.89Å; L699-I704 WeakPolarHBondContact O-CG1 3.5Å; L699-I704 PolarHBondContact O-N 2.95Å; L702-I704 HydrophobicContact CB-CD1 3.8Å; L702-I704 HydrophobicContact CB-CG1 3.82Å; L702-I704 PolarHBondContact O-N 2.91Å; I704-E708 WeakPolarHBondContact CA-OE2 3.15Å; I704-E708 HydrophobicContact CG2-CB 3.93Å; I704-V709 HydrophobicContact CG2-CG2 3.82Å; I704-M712 HydrophobicContact CG2-SD 4.34Å; I704-I783 HydrophobicContact CD1-CD1 4.49Å; I704-I783 HydrophobicContact CD1-CG1 4.03Å
705	D	91.1	Very high	92.8	Very high	38 Å²	38	24 Å²	24	20%	0.203	11%	0.112	C	C	.	.			trans	-100.1	174.3	175.3	69.1	48.7	0	0	0	112.4	E703 T707 E708 V709 R753	E703-D705 PolarHBondContact O-N 3.43Å; D705-T707 VanDerWaalsContact C-N 3.25Å; D705-T707 PolarHBondContact O-N 3.47Å; D705-T707 WeakPolarHBondContact OD1-CB 3.39Å; D705-T707 PolarHBondContact OD1-N 3.38Å; D705-E708 PolarHBondContact N-OE2 3.07Å; D705-E708 WeakPolarHBondContact O-CB 3.35Å; D705-E708 PolarHBondContact O-N 3.33Å; D705-E708 VanDerWaalsContact O-N 3.14Å; D705-E708 PolarHBondContact OD1-N 2.93Å; D705-E708 VanDerWaalsContact OD1-N 3.15Å; D705-V709 WeakPolarHBondContact O-CG2 3.4Å; D705-V709 PolarHBondContact O-N 3.05Å; D705-R753 IonicContact OD2-CZ 3.02Å; D705-R753 IonicContact OD2-NH2 2.66Å; D705-R753 PolarHBondContact OD2-NH2 2.68Å
706	Q	91.3	Very high	93.1	Very high	65 Å²	65	24 Å²	24	30%	0.304	11%	0.112	S	C	.	.	H	α-helix	trans	-65.4	-26.6	-173.6	-172.2	167.2	-21.9	0	0	113.3	Y545 L549 V709 A710	Y545-Q706 HydrophobicContact CD1-CG 4.47Å; Y545-Q706 HydrophobicContact CE1-CG 4.18Å; L549-Q706 VanDerWaalsContact CD1-NE2 3.27Å; Q706-V709 PolarHBondContact O-N 3.43Å; Q706-A710 PolarHBondContact O-N 3.4Å
707	T	95	Very high	93.4	Very high	28 Å²	28	23.8 Å²	23.8	17%	0.172	11%	0.11	C	C	.	.	H	α-helix	trans	-72.5	-41	173.5	-62.5	0	0	0	0	110.7	V538 V542 D705 V709 A710 L711 Y745	V538-T707 HydrophobicContact CG1-CG2 3.48Å; V538-T707 VanDerWaalsContact CG1-CG2 3.48Å; V542-T707 HydrophobicContact CG2-CG2 3.53Å; D705-T707 VanDerWaalsContact C-N 3.25Å; D705-T707 PolarHBondContact O-N 3.47Å; D705-T707 WeakPolarHBondContact OD1-CB 3.39Å; D705-T707 PolarHBondContact OD1-N 3.38Å; T707-V709 VanDerWaalsContact C-N 3.29Å; T707-V709 PolarHBondContact O-N 2.76Å; T707-A710 WeakPolarHBondContact O-CB 3.25Å; T707-A710 PolarHBondContact O-N 3.06Å; T707-A710 VanDerWaalsContact O-N 3.17Å; T707-L711 HydrophobicContact CG2-CD1 4.33Å; T707-L711 WeakPolarHBondContact O-CG 3.14Å; T707-L711 PolarHBondContact O-N 3.46Å; T707-Y745 WeakPolarHBondContact CB-OH 3.34Å; T707-Y745 HydrophobicContact CG2-CD1 4.48Å; T707-Y745 HydrophobicContact CG2-CE1 3.7Å; T707-Y745 HydrophobicContact CG2-CE2 3.88Å; T707-Y745 VanDerWaalsContact CG2-OH 3.31Å; T707-Y745 WeakPolarHBondContact CG2-OH 3.34Å
708	E	96.2	Very high	93.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-36	173.2	-58.3	-164.4	102.2	0	0	111.8	I704 D705 L711 M712 F742 Y745 R750 R753	I704-E708 WeakPolarHBondContact CA-OE2 3.15Å; I704-E708 HydrophobicContact CG2-CB 3.93Å; D705-E708 PolarHBondContact N-OE2 3.07Å; D705-E708 WeakPolarHBondContact O-CB 3.35Å; D705-E708 PolarHBondContact O-N 3.33Å; D705-E708 VanDerWaalsContact O-N 3.14Å; D705-E708 PolarHBondContact OD1-N 2.93Å; D705-E708 VanDerWaalsContact OD1-N 3.15Å; E708-L711 PolarHBondContact O-N 3.03Å; E708-M712 WeakPolarHBondContact O-CB 3.2Å; E708-M712 WeakPolarHBondContact O-CG 3.48Å; E708-M712 PolarHBondContact O-N 3.39Å; E708-F742 HydrophobicContact CB-CE2 3.85Å; E708-F742 HydrophobicContact CB-CZ 3.99Å; E708-F742 HydrophobicContact CG-CE2 3.88Å; E708-F742 HydrophobicContact CG-CZ 4.45Å; E708-Y745 HydrophobicContact CG-CD1 4.31Å; E708-Y745 HydrophobicContact CG-CE1 3.91Å; E708-R750 VanDerWaalsContact CD-NH2 3.3Å; E708-R750 IonicContact OE1-CZ 2.7Å; E708-R750 VanDerWaalsContact OE1-CZ 3.27Å; E708-R750 IonicContact OE1-NH1 3.39Å; E708-R750 PolarHBondContact OE1-NH1 3.36Å; E708-R750 IonicContact OE1-NH2 3.97Å; E708-R750 PolarHBondContact OE1-NH2 2.82Å; E708-R750 IonicContact OE2-CZ 3.44Å; E708-R750 IonicContact OE2-NH1 3.28Å; E708-R750 IonicContact OE2-NH2 3.37Å; E708-R750 PolarHBondContact OE2-NH2 2.78Å; E708-R753 IonicContact OE2-NH2 3.3Å
709	V	94.8	Very high	93.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-40.1	171.7	178.2	0	0	0	0	112.1	Y545 L621 Y625 I704 D705 Q706 T707 L711 M712 T713	Y545-V709 HydrophobicContact CE1-CG1 4.23Å; Y545-V709 HydrophobicContact CE2-CG1 4.38Å; Y545-V709 WeakPolarHBondContact OH-CG1 3.1Å; L621-V709 HydrophobicContact CD2-CG1 4.12Å; L621-V709 HydrophobicContact CG-CG1 4.12Å; Y625-V709 HydrophobicContact CD1-CG2 4.21Å; Y625-V709 HydrophobicContact CD2-CG2 3.49Å; Y625-V709 VanDerWaalsContact CD2-CG2 3.49Å; Y625-V709 HydrophobicContact CE2-CG2 3.86Å; Y625-V709 HydrophobicContact CG-CG2 3.68Å; I704-V709 HydrophobicContact CG2-CG2 3.82Å; D705-V709 WeakPolarHBondContact O-CG2 3.4Å; D705-V709 PolarHBondContact O-N 3.05Å; Q706-V709 PolarHBondContact O-N 3.43Å; T707-V709 VanDerWaalsContact C-N 3.29Å; T707-V709 PolarHBondContact O-N 2.76Å; V709-L711 VanDerWaalsContact C-N 3.35Å; V709-L711 PolarHBondContact O-N 2.76Å; V709-M712 PolarHBondContact O-N 2.95Å; V709-T713 WeakPolarHBondContact O-CB 3.34Å; V709-T713 PolarHBondContact O-N 3.45Å; V709-T713 PolarHBondContact O-OG1 2.97Å
710	A	95.9	Very high	93.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-41.3	176.3	0	0	0	0	0	111.8	I541 V542 Y545 Q706 T707 T713 S714	I541-A710 HydrophobicContact CG2-CB 4.1Å; I541-A710 WeakPolarHBondContact CG2-O 3.44Å; V542-A710 HydrophobicContact CG2-CB 4.16Å; Y545-A710 HydrophobicContact CD1-CB 3.85Å; Y545-A710 HydrophobicContact CD2-CB 4.35Å; Y545-A710 HydrophobicContact CG-CB 3.68Å; Q706-A710 PolarHBondContact O-N 3.4Å; T707-A710 WeakPolarHBondContact O-CB 3.25Å; T707-A710 PolarHBondContact O-N 3.06Å; T707-A710 VanDerWaalsContact O-N 3.17Å; A710-T713 WeakPolarHBondContact O-CB 3.44Å; A710-T713 PolarHBondContact O-N 3.5Å; A710-S714 PolarHBondContact O-N 2.85Å; A710-S714 VanDerWaalsContact O-N 3.08Å
711	L	97.4	Very high	93.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-39	175.3	-64.6	170.2	0	0	0	112.5	V538 I541 T707 E708 V709 T713 S714 I715 F742 Y745	V538-L711 HydrophobicContact CG1-CD1 4.47Å; V538-L711 HydrophobicContact CG2-CD1 4.12Å; V538-L711 HydrophobicContact CG2-CD2 4.08Å; I541-L711 HydrophobicContact CD1-CD2 4.03Å; I541-L711 HydrophobicContact CG2-CD2 4.28Å; T707-L711 HydrophobicContact CG2-CD1 4.33Å; T707-L711 WeakPolarHBondContact O-CG 3.14Å; T707-L711 PolarHBondContact O-N 3.46Å; E708-L711 PolarHBondContact O-N 3.03Å; V709-L711 VanDerWaalsContact C-N 3.35Å; V709-L711 PolarHBondContact O-N 2.76Å; L711-T713 PolarHBondContact O-N 3.23Å; L711-S714 PolarHBondContact O-N 2.98Å; L711-S714 PolarHBondContact O-OG 2.89Å; L711-I715 WeakPolarHBondContact O-CD1 3.31Å; L711-I715 VanDerWaalsContact O-CG1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.44Å; L711-I715 PolarHBondContact O-N 3.27Å; L711-I715 VanDerWaalsContact O-N 3.15Å; L711-F742 HydrophobicContact CB-CB 4.21Å; L711-F742 HydrophobicContact CB-CD1 4.14Å; L711-F742 HydrophobicContact CB-CD2 3.94Å; L711-F742 HydrophobicContact CB-CE2 4.37Å; L711-F742 HydrophobicContact CB-CG 3.84Å; L711-F742 HydrophobicContact CD1-CB 4.19Å; L711-F742 HydrophobicContact CD1-CD2 3.56Å; L711-F742 HydrophobicContact CD1-CE2 4.26Å; L711-F742 HydrophobicContact CD1-CG 4.05Å; L711-F742 HydrophobicContact CG-CD2 4.4Å; L711-Y745 HydrophobicContact CD1-CD1 3.97Å; L711-Y745 HydrophobicContact CD1-CG 4.08Å
712	M	97.7	Very high	93.2	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-33.8	170.1	-71.9	170.7	74.7	0	0	111.6	L621 L699 I704 E708 V709 L716 F742 L787	L621-M712 HydrophobicContact CD1-CB 4.45Å; L621-M712 HydrophobicContact CD1-CE 3.66Å; L621-M712 HydrophobicContact CD1-SD 4.34Å; L621-M712 HydrophobicContact CD2-CB 3.62Å; L699-M712 HydrophobicContact CD2-CE 3.99Å; I704-M712 HydrophobicContact CG2-SD 4.34Å; E708-M712 WeakPolarHBondContact O-CB 3.2Å; E708-M712 WeakPolarHBondContact O-CG 3.48Å; E708-M712 PolarHBondContact O-N 3.39Å; V709-M712 PolarHBondContact O-N 2.95Å; M712-L716 WeakPolarHBondContact O-CD1 3.13Å; M712-L716 WeakPolarHBondContact O-CG 3.39Å; M712-L716 PolarHBondContact O-N 3.1Å; M712-L716 VanDerWaalsContact O-N 3.12Å; M712-F742 HydrophobicContact CG-CE1 3.59Å; M712-F742 HydrophobicContact CG-CZ 3.93Å; M712-F742 HydrophobicContact SD-CZ 4.46Å; M712-L787 HydrophobicContact CB-CD1 4.02Å; M712-L787 HydrophobicContact CE-CB 4.23Å; M712-L787 HydrophobicContact CE-CD1 3.7Å; M712-L787 HydrophobicContact CG-CD1 4.17Å
713	T	95.3	Very high	92.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-45.4	178	-58.5	0	0	0	0	111.6	Y545 M548 F592 I618 V709 A710 L711 L716 L717	Y545-T713 HydrophobicContact CD2-CG2 4.02Å; Y545-T713 HydrophobicContact CE2-CG2 4.08Å; Y545-T713 WeakPolarHBondContact CE2-OG1 3.43Å; M548-T713 HydrophobicContact CE-CG2 4.45Å; F592-T713 HydrophobicContact CD1-CG2 4.24Å; F592-T713 HydrophobicContact CE1-CG2 3.51Å; F592-T713 HydrophobicContact CE2-CG2 4.35Å; F592-T713 HydrophobicContact CZ-CG2 3.57Å; I618-T713 HydrophobicContact CB-CG2 4.38Å; I618-T713 HydrophobicContact CD1-CG2 3.67Å; I618-T713 HydrophobicContact CG1-CG2 3.73Å; I618-T713 HydrophobicContact CG2-CG2 3.82Å; V709-T713 WeakPolarHBondContact O-CB 3.34Å; V709-T713 PolarHBondContact O-N 3.45Å; V709-T713 PolarHBondContact O-OG1 2.97Å; A710-T713 WeakPolarHBondContact O-CB 3.44Å; A710-T713 PolarHBondContact O-N 3.5Å; L711-T713 PolarHBondContact O-N 3.23Å; T713-L716 PolarHBondContact O-N 2.96Å; T713-L717 PolarHBondContact O-N 2.96Å
714	S	97.1	Very high	91.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-35.3	177.5	58.2	0	0	0	0	113	A710 L711 L716 L717 M718	A710-S714 PolarHBondContact O-N 2.85Å; A710-S714 VanDerWaalsContact O-N 3.08Å; L711-S714 PolarHBondContact O-N 2.98Å; L711-S714 PolarHBondContact O-OG 2.89Å; S714-L716 VanDerWaalsContact C-N 3.33Å; S714-L716 PolarHBondContact O-N 3.35Å; S714-L717 WeakPolarHBondContact O-CB 3.35Å; S714-L717 PolarHBondContact O-N 3.38Å; S714-M718 PolarHBondContact O-N 3.4Å
715	I	97	Very high	91.5	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-68.4	-30.8	174.8	-66.1	162.8	0	0	0	112	L711 S719 Q735 L738 L739 F742 L787	L711-I715 WeakPolarHBondContact O-CD1 3.31Å; L711-I715 VanDerWaalsContact O-CG1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.44Å; L711-I715 PolarHBondContact O-N 3.27Å; L711-I715 VanDerWaalsContact O-N 3.15Å; I715-S719 PolarHBondContact O-OG 2.96Å; I715-Q735 HydrophobicContact CG2-CG 4.14Å; I715-Q735 PolarHBondContact O-NE2 3.08Å; I715-L738 HydrophobicContact CG1-CB 3.74Å; I715-L739 HydrophobicContact CD1-CD2 3.99Å; I715-L739 HydrophobicContact CD1-CG 4.25Å; I715-L739 HydrophobicContact CG1-CG 4.45Å; I715-L739 HydrophobicContact CG2-CD2 4.03Å; I715-L739 HydrophobicContact CG2-CG 4.23Å; I715-F742 HydrophobicContact CD1-CB 4.19Å; I715-F742 HydrophobicContact CD1-CD1 3.61Å; I715-F742 HydrophobicContact CD1-CE1 4.49Å; I715-F742 HydrophobicContact CD1-CG 4.36Å; I715-L787 HydrophobicContact CB-CD2 4.47Å; I715-L787 HydrophobicContact CG2-CD2 3.84Å
716	L	94.8	Very high	91.5	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-77.2	-29.3	173.8	-70	168.2	0	0	0	112.7	C614 D617 I618 L621 M712 T713 S714 S719 R722 L787 L790	C614-L716 WeakPolarHBondContact CB-O 3.41Å; D617-L716 HydrophobicContact CB-CB 4.07Å; D617-L716 HydrophobicContact CB-CD1 3.98Å; D617-L716 HydrophobicContact CB-CD2 3.97Å; D617-L716 HydrophobicContact CB-CG 4.2Å; I618-L716 HydrophobicContact CG1-CB 4.38Å; L621-L716 HydrophobicContact CB-CD1 4.3Å; L621-L716 HydrophobicContact CD2-CD1 3.84Å; M712-L716 WeakPolarHBondContact O-CD1 3.13Å; M712-L716 WeakPolarHBondContact O-CG 3.39Å; M712-L716 PolarHBondContact O-N 3.1Å; M712-L716 VanDerWaalsContact O-N 3.12Å; T713-L716 PolarHBondContact O-N 2.96Å; S714-L716 VanDerWaalsContact C-N 3.33Å; S714-L716 PolarHBondContact O-N 3.35Å; L716-S719 PolarHBondContact O-OG 3.04Å; L716-S719 VanDerWaalsContact O-OG 3.11Å; L716-R722 PolarHBondContact O-NH2 3.28Å; L716-L787 HydrophobicContact CD1-CD1 3.84Å; L716-L787 HydrophobicContact CD2-CD1 3.88Å; L716-L787 HydrophobicContact CD2-CG 4.4Å; L716-L787 HydrophobicContact CG-CD1 3.83Å; L716-L790 HydrophobicContact CD1-CD2 4.11Å
717	L	94.3	Very high	91.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-62.2	169.4	174.8	70	0	0	0	110.7	F592 A593 V596 F599 L610 L611 C614 T713 S714 S719	F592-L717 HydrophobicContact CD1-CD2 4.47Å; F592-L717 HydrophobicContact CE1-CD2 4.22Å; A593-L717 HydrophobicContact CB-CD1 3.95Å; A593-L717 HydrophobicContact CB-CD2 3.56Å; A593-L717 HydrophobicContact CB-CG 4.42Å; V596-L717 HydrophobicContact CB-CD2 3.91Å; V596-L717 HydrophobicContact CG1-CD2 4.22Å; V596-L717 HydrophobicContact CG2-CD2 3.77Å; F599-L717 HydrophobicContact CD2-CD1 4.07Å; F599-L717 HydrophobicContact CD2-CD2 3.86Å; F599-L717 HydrophobicContact CD2-CG 4.02Å; F599-L717 HydrophobicContact CE2-CD1 3.79Å; F599-L717 HydrophobicContact CE2-CD2 4.36Å; F599-L717 HydrophobicContact CE2-CG 4.26Å; F599-L717 HydrophobicContact CG-CD2 4.31Å; L610-L717 HydrophobicContact CB-CD1 4.37Å; L611-L717 HydrophobicContact CD2-CD1 4.05Å; L611-L717 HydrophobicContact CG-CD1 4.32Å; C614-L717 HydrophobicContact CB-CB 4.46Å; C614-L717 HydrophobicContact CB-CD1 4.48Å; C614-L717 WeakPolarHBondContact SG-CD1 3.16Å; T713-L717 PolarHBondContact O-N 2.96Å; S714-L717 WeakPolarHBondContact O-CB 3.35Å; S714-L717 PolarHBondContact O-N 3.38Å; L717-S719 PolarHBondContact O-N 3.5Å
718	M	95.3	Very high	91.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-78.9	87.4	-179.5	-61.5	-53.1	-70.6	0	0	109.3	V596 F599 L602 L610 S714 V731 T734 Q735 L738	V596-M718 HydrophobicContact CG1-CG 3.98Å; F599-M718 HydrophobicContact CB-SD 3.99Å; F599-M718 HydrophobicContact CD2-SD 3.84Å; F599-M718 HydrophobicContact CG-SD 4.43Å; L602-M718 HydrophobicContact CD1-CE 4.07Å; L610-M718 HydrophobicContact CD1-CE 4.29Å; L610-M718 HydrophobicContact CD1-SD 3.82Å; S714-M718 PolarHBondContact O-N 3.4Å; M718-V731 HydrophobicContact CE-CG2 4.4Å; M718-T734 HydrophobicContact CE-CG2 3.74Å; M718-T734 HydrophobicContact CG-CG2 4.1Å; M718-Q735 WeakPolarHBondContact O-CB 3.42Å; M718-Q735 WeakPolarHBondContact O-CG 3.35Å; M718-Q735 PolarHBondContact O-NE2 3.02Å; M718-L738 HydrophobicContact CB-CD1 3.95Å; M718-L738 HydrophobicContact CG-CD1 3.83Å
719	S	91.5	Very high	91.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.			trans	-136.1	128	177.9	-47.2	0	0	0	0	112.5	L610 I715 L716 L717 D721 V731 Q735 R791	L610-S719 WeakPolarHBondContact CD2-O 3.33Å; I715-S719 PolarHBondContact O-OG 2.96Å; L716-S719 PolarHBondContact O-OG 3.04Å; L716-S719 VanDerWaalsContact O-OG 3.11Å; L717-S719 PolarHBondContact O-N 3.5Å; S719-D721 WeakPolarHBondContact CB-OD1 3.49Å; S719-D721 PolarHBondContact O-N 3.36Å; S719-V731 VanDerWaalsContact C-CG1 3.4Å; S719-Q735 PolarHBondContact OG-NE2 3.17Å; S719-R791 PolarHBondContact OG-NH1 3.31Å; S719-R791 VanDerWaalsContact OG-NH1 3.07Å; S719-R791 PolarHBondContact OG-NH2 2.8Å; S719-R791 VanDerWaalsContact OG-NH2 3.14Å
720	P	91.7	Very high	91.1	Very high	25 Å²	25	37.5 Å²	37.5	16%	0.162	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.6	-173.4	29.2	-34.7	0	0	0	114.8	R722 C728 V731 E732	P720-R722 PolarHBondContact O-N 3Å; P720-C728 VanDerWaalsContact CB-SG 3.55Å; P720-V731 HydrophobicContact CB-CG1 4.27Å; P720-E732 HydrophobicContact CB-CB 4.01Å; P720-E732 HydrophobicContact CG-CB 4.04Å; P720-E732 HydrophobicContact CG-CG 4.17Å
721	D	83.8	Confident	91	Very high	64 Å²	64	37.5 Å²	37.5	34%	0.342	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	11.5	-179.8	61.4	-51.9	0	0	0	114.6	S719 R791	S719-D721 WeakPolarHBondContact CB-OD1 3.49Å; S719-D721 PolarHBondContact O-N 3.36Å; D721-R791 IonicContact OD1-CZ 3.37Å; D721-R791 IonicContact OD1-NE 2.6Å; D721-R791 PolarHBondContact OD1-NE 3.02Å; D721-R791 IonicContact OD1-NH2 2.64Å; D721-R791 PolarHBondContact OD1-NH2 2.78Å; D721-R791 IonicContact OD2-CZ 3.33Å; D721-R791 IonicContact OD2-NE 2.68Å; D721-R791 PolarHBondContact OD2-NE 3.47Å; D721-R791 IonicContact OD2-NH2 2.7Å; D721-R791 PolarHBondContact OD2-NH2 3.42Å
722	R	82.6	Confident	90.9	Very high	19 Å²	19	41.6 Å²	41.6	7%	0.072	22%	0.224	C	C	.	.	S	Bend	trans	-76.6	135.9	172.7	-51.4	-46.5	-176.8	178.6	-1.9	110.5	L610 G613 C614 D617 L716 P720 G724 L725 R791	L610-R722 HydrophobicContact CD2-CG 3.83Å; G613-R722 PolarHBondContact O-NH1 2.84Å; G613-R722 VanDerWaalsContact O-NH1 3.08Å; C614-R722 VanDerWaalsContact CA-NH2 3.34Å; D617-R722 IonicContact OD2-CZ 2.66Å; D617-R722 IonicContact OD2-NH1 2.67Å; D617-R722 PolarHBondContact OD2-NH1 2.81Å; D617-R722 IonicContact OD2-NH2 3.91Å; D617-R722 PolarHBondContact OD2-NH2 3.31Å; L716-R722 PolarHBondContact O-NH2 3.28Å; P720-R722 PolarHBondContact O-N 3Å; R722-G724 PolarHBondContact O-N 3.38Å; R722-L725 HydrophobicContact CB-CD1 4.05Å; R722-L725 HydrophobicContact CB-CD2 4.42Å; R722-L725 HydrophobicContact CB-CG 4.07Å; R722-R791 VanDerWaalsContact NH1-NH2 3.19Å
723	F	76.8	Confident	90.8	Very high	206 Å²	206	47.1 Å²	47.1	90%	0.904	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	129.1	-176	178.8	-96.5	0	0	0	112.4
724	G	77.9	Confident	90.7	Very high	41 Å²	41	47.7 Å²	47.7	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	18.7	170.9	0	0	0	0	0	115.3	R609 R722	R609-G724 WeakPolarHBondContact CD-O 3.26Å; R609-G724 PolarHBondContact NE-O 3.39Å; R609-G724 PolarHBondContact NH1-O 2.9Å; R609-G724 PolarHBondContact NH2-O 2.93Å; R722-G724 PolarHBondContact O-N 3.38Å
725	L	84.8	Confident	90.6	Very high	26 Å²	26	49.3 Å²	49.3	14%	0.136	26%	0.261	C	S	.	.			trans	-56.6	141.9	170.3	-69.6	172.8	0	0	0	111.3	D606 R609 L610 R722 V731	D606-L725 HydrophobicContact CB-CD2 3.99Å; D606-L725 WeakPolarHBondContact OD1-CA 3.46Å; D606-L725 VanDerWaalsContact OD1-CD2 3.32Å; D606-L725 WeakPolarHBondContact OD1-CD2 3.48Å; R609-L725 HydrophobicContact CB-CD2 3.87Å; L610-L725 HydrophobicContact CD2-CD1 4.09Å; L610-L725 HydrophobicContact CD2-CD2 3.93Å; L610-L725 HydrophobicContact CG-CD2 4.15Å; R722-L725 HydrophobicContact CB-CD1 4.05Å; R722-L725 HydrophobicContact CB-CD2 4.42Å; R722-L725 HydrophobicContact CB-CG 4.07Å; L725-V731 HydrophobicContact CD1-CG1 4.3Å; L725-V731 HydrophobicContact CD1-CG2 4.37Å
726	T	91.5	Very high	90.5	Very high	105 Å²	105	53.6 Å²	53.6	64%	0.644	28%	0.284	S	S	*	.	S	Bend	trans	-91.5	-45.3	177.9	11.5	0	0	0	0	112	D603 D606 R609	D603-T726 PolarHBondContact OD2-OG1 3.15Å; D606-T726 VanDerWaalsContact CG-N 3.32Å; D606-T726 PolarHBondContact OD1-N 3.46Å; D606-T726 PolarHBondContact OD1-OG1 3.39Å; D606-T726 VanDerWaalsContact OD1-OG1 3.13Å; D606-T726 WeakPolarHBondContact OD2-CA 3.5Å; D606-T726 WeakPolarHBondContact OD2-CB 3.24Å; D606-T726 PolarHBondContact OD2-N 2.9Å; D606-T726 PolarHBondContact OD2-OG1 3.42Å; R609-T726 PolarHBondContact NH1-OG1 2.89Å
727	D	90.9	Very high	90.5	Very high	64 Å²	64	56.8 Å²	56.8	34%	0.342	30%	0.3	S	S	.	.			trans	-107.6	81.7	170.8	-171	-6.2	0	0	0	111.4	L602 D606 E729 T730 V731	L602-D727 HydrophobicContact CD2-CB 4.4Å; D606-D727 PolarHBondContact OD2-N 2.95Å; D727-E729 PolarHBondContact OD1-N 2.93Å; D727-T730 VanDerWaalsContact CG-CB 3.46Å; D727-T730 VanDerWaalsContact CG-OG1 3.25Å; D727-T730 WeakPolarHBondContact OD1-CB 3.31Å; D727-T730 PolarHBondContact OD1-N 3.15Å; D727-T730 PolarHBondContact OD1-OG1 3.37Å; D727-T730 WeakPolarHBondContact OD2-CB 3.47Å; D727-T730 PolarHBondContact OD2-OG1 3.41Å; D727-V731 VanDerWaalsContact O-CG2 3.32Å; D727-V731 WeakPolarHBondContact O-CG2 3.32Å
728	C	92.4	Very high	90.5	Very high	52 Å²	52	56.9 Å²	56.9	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-74.1	-25.3	176	-165.8	0	0	0	0	113	P720 E732	P720-C728 VanDerWaalsContact CB-SG 3.55Å; C728-E732 WeakPolarHBondContact O-CB 3.37Å; C728-E732 PolarHBondContact O-N 3.06Å
729	E	91.9	Very high	90.5	Very high	131 Å²	131	58.6 Å²	58.6	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-70.9	-47	-177.9	-173.5	-178	144.5	0	0	110.5	K513 D727 V731 E732 H733	K513-E729 IonicContact NZ-OE1 3.05Å; K513-E729 PolarHBondContact NZ-OE1 3.05Å; D727-E729 PolarHBondContact OD1-N 2.93Å; E729-V731 VanDerWaalsContact C-N 3.31Å; E729-V731 PolarHBondContact O-N 2.9Å; E729-E732 PolarHBondContact O-N 3.35Å; E729-H733 VanDerWaalsContact O-CB 3.25Å; E729-H733 WeakPolarHBondContact O-CB 3.28Å; E729-H733 PolarHBondContact O-N 2.94Å
730	T	92.9	Very high	90.6	Very high	46 Å²	46	62.1 Å²	62.1	28%	0.282	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-36.2	175.9	-63	0	0	0	0	111.7	L602 D727 T734	L602-T730 HydrophobicContact CD2-CG2 3.98Å; D727-T730 VanDerWaalsContact CG-CB 3.46Å; D727-T730 VanDerWaalsContact CG-OG1 3.25Å; D727-T730 WeakPolarHBondContact OD1-CB 3.31Å; D727-T730 PolarHBondContact OD1-N 3.15Å; D727-T730 PolarHBondContact OD1-OG1 3.37Å; D727-T730 WeakPolarHBondContact OD2-CB 3.47Å; D727-T730 PolarHBondContact OD2-OG1 3.41Å; T730-T734 VanDerWaalsContact O-CB 3.27Å; T730-T734 WeakPolarHBondContact O-CB 3.17Å; T730-T734 PolarHBondContact O-N 3.03Å; T730-T734 PolarHBondContact O-OG1 3.43Å
731	V	94.4	Very high	90.7	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.3	-46.8	176.2	175.4	0	0	0	0	111.8	L602 L610 M718 S719 P720 L725 D727 E729 T734 Q735	L602-V731 HydrophobicContact CD1-CG2 3.77Å; L602-V731 HydrophobicContact CD2-CG2 3.95Å; L610-V731 HydrophobicContact CD1-CG2 4.13Å; L610-V731 HydrophobicContact CD2-CG1 4.09Å; L610-V731 HydrophobicContact CD2-CG2 4.5Å; M718-V731 HydrophobicContact CE-CG2 4.4Å; S719-V731 VanDerWaalsContact C-CG1 3.4Å; P720-V731 HydrophobicContact CB-CG1 4.27Å; L725-V731 HydrophobicContact CD1-CG1 4.3Å; L725-V731 HydrophobicContact CD1-CG2 4.37Å; D727-V731 VanDerWaalsContact O-CG2 3.32Å; D727-V731 WeakPolarHBondContact O-CG2 3.32Å; E729-V731 VanDerWaalsContact C-N 3.31Å; E729-V731 PolarHBondContact O-N 2.9Å; V731-T734 PolarHBondContact O-N 2.66Å; V731-Q735 WeakPolarHBondContact O-CB 3.43Å; V731-Q735 PolarHBondContact O-N 2.88Å
732	E	94.6	Very high	91.3	Very high	87 Å²	87	58 Å²	58	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-47.4	177.7	-171.6	163.8	-157.3	0	0	111	P720 C728 E729 T734 Q735 D736	P720-E732 HydrophobicContact CB-CB 4.01Å; P720-E732 HydrophobicContact CG-CB 4.04Å; P720-E732 HydrophobicContact CG-CG 4.17Å; C728-E732 WeakPolarHBondContact O-CB 3.37Å; C728-E732 PolarHBondContact O-N 3.06Å; E729-E732 PolarHBondContact O-N 3.35Å; E732-T734 VanDerWaalsContact C-N 3.33Å; E732-T734 PolarHBondContact O-N 3.01Å; E732-Q735 PolarHBondContact O-N 3.13Å; E732-Q735 VanDerWaalsContact O-N 3.1Å; E732-D736 PolarHBondContact O-N 3.02Å
733	H	94.6	Very high	91.8	Very high	117 Å²	117	58.7 Å²	58.7	54%	0.542	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-41.2	177	-176.8	46.3	0	0	0	112.8	E729 D736 I737	E729-H733 VanDerWaalsContact O-CB 3.25Å; E729-H733 WeakPolarHBondContact O-CB 3.28Å; E729-H733 PolarHBondContact O-N 2.94Å; H733-D736 PolarHBondContact O-N 2.85Å; H733-I737 WeakPolarHBondContact O-CG1 3.21Å; H733-I737 PolarHBondContact O-N 2.69Å; H733-I737 VanDerWaalsContact O-N 3.14Å
734	T	93.9	Very high	92.5	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-38	175.9	-55.1	0	0	0	0	111.7	P597 M718 T730 V731 E732 I737 L738	P597-T734 WeakPolarHBondContact O-CG2 3.31Å; M718-T734 HydrophobicContact CE-CG2 3.74Å; M718-T734 HydrophobicContact CG-CG2 4.1Å; T730-T734 VanDerWaalsContact O-CB 3.27Å; T730-T734 WeakPolarHBondContact O-CB 3.17Å; T730-T734 PolarHBondContact O-N 3.03Å; T730-T734 PolarHBondContact O-OG1 3.43Å; V731-T734 PolarHBondContact O-N 2.66Å; E732-T734 VanDerWaalsContact C-N 3.33Å; E732-T734 PolarHBondContact O-N 3.01Å; T734-I737 PolarHBondContact O-N 3.26Å; T734-L738 HydrophobicContact CG2-CD1 4.23Å; T734-L738 WeakPolarHBondContact O-CG 3.44Å; T734-L738 PolarHBondContact O-N 3.04Å
735	Q	95.8	Very high	93.3	Very high	33 Å²	33	50.3 Å²	50.3	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-42.3	175.5	-166.5	177.3	53	0	0	111.4	I715 M718 S719 V731 E732 I737 L738 L739	I715-Q735 HydrophobicContact CG2-CG 4.14Å; I715-Q735 PolarHBondContact O-NE2 3.08Å; M718-Q735 WeakPolarHBondContact O-CB 3.42Å; M718-Q735 WeakPolarHBondContact O-CG 3.35Å; M718-Q735 PolarHBondContact O-NE2 3.02Å; S719-Q735 PolarHBondContact OG-NE2 3.17Å; V731-Q735 WeakPolarHBondContact O-CB 3.43Å; V731-Q735 PolarHBondContact O-N 2.88Å; E732-Q735 PolarHBondContact O-N 3.13Å; E732-Q735 VanDerWaalsContact O-N 3.1Å; Q735-I737 PolarHBondContact O-N 3.09Å; Q735-L738 PolarHBondContact O-N 3.29Å; Q735-L739 HydrophobicContact CG-CD1 3.94Å; Q735-L739 HydrophobicContact CG-CG 4.36Å; Q735-L739 WeakPolarHBondContact O-CB 3.43Å; Q735-L739 VanDerWaalsContact O-CG 3.29Å; Q735-L739 WeakPolarHBondContact O-CG 3.48Å; Q735-L739 PolarHBondContact O-N 2.93Å
736	D	94.6	Very high	93.6	Very high	94 Å²	94	49.1 Å²	49.1	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-61.1	-42.6	176.1	-86.1	-14.4	0	0	0	112.4	E732 H733 L739 E740	E732-D736 PolarHBondContact O-N 3.02Å; H733-D736 PolarHBondContact O-N 2.85Å; D736-L739 PolarHBondContact O-N 2.92Å; D736-E740 WeakPolarHBondContact O-CB 3.48Å; D736-E740 PolarHBondContact O-N 2.87Å
737	I	93.5	Very high	93.4	Very high	69 Å²	69	47.8 Å²	47.8	35%	0.354	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-48.1	174.3	-69.3	166.2	0	0	0	110.6	M537 H733 T734 Q735 L739 E740 T741	M537-I737 HydrophobicContact CE-CG2 3.73Å; M537-I737 HydrophobicContact SD-CG2 4.16Å; H733-I737 WeakPolarHBondContact O-CG1 3.21Å; H733-I737 PolarHBondContact O-N 2.69Å; H733-I737 VanDerWaalsContact O-N 3.14Å; T734-I737 PolarHBondContact O-N 3.26Å; Q735-I737 PolarHBondContact O-N 3.09Å; I737-L739 PolarHBondContact O-N 3.42Å; I737-E740 PolarHBondContact O-N 3.39Å; I737-T741 WeakPolarHBondContact O-CB 3.32Å; I737-T741 PolarHBondContact O-N 3.13Å; I737-T741 PolarHBondContact O-OG1 3.09Å; I737-T741 VanDerWaalsContact O-OG1 3.09Å
738	L	95.9	Very high	93.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-41.1	179.1	-69.2	169.9	0	0	0	112.2	M537 I541 V596 I715 M718 T734 Q735 F742	M537-L738 HydrophobicContact SD-CD2 4.19Å; I541-L738 HydrophobicContact CD1-CD2 3.58Å; V596-L738 HydrophobicContact CG1-CD1 4.09Å; I715-L738 HydrophobicContact CG1-CB 3.74Å; M718-L738 HydrophobicContact CB-CD1 3.95Å; M718-L738 HydrophobicContact CG-CD1 3.83Å; T734-L738 HydrophobicContact CG2-CD1 4.23Å; T734-L738 WeakPolarHBondContact O-CG 3.44Å; T734-L738 PolarHBondContact O-N 3.04Å; Q735-L738 PolarHBondContact O-N 3.29Å; L738-F742 VanDerWaalsContact O-CB 3.26Å; L738-F742 WeakPolarHBondContact O-CB 3.37Å; L738-F742 PolarHBondContact O-N 3.19Å
739	L	94.9	Very high	93	Very high	37 Å²	37	47.7 Å²	47.7	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-45	175.9	-80.3	164.2	0	0	0	111.8	I715 Q735 D736 I737 F742 N743 W780 L784	I715-L739 HydrophobicContact CD1-CD2 3.99Å; I715-L739 HydrophobicContact CD1-CG 4.25Å; I715-L739 HydrophobicContact CG1-CG 4.45Å; I715-L739 HydrophobicContact CG2-CD2 4.03Å; I715-L739 HydrophobicContact CG2-CG 4.23Å; Q735-L739 HydrophobicContact CG-CD1 3.94Å; Q735-L739 HydrophobicContact CG-CG 4.36Å; Q735-L739 WeakPolarHBondContact O-CB 3.43Å; Q735-L739 VanDerWaalsContact O-CG 3.29Å; Q735-L739 WeakPolarHBondContact O-CG 3.48Å; Q735-L739 PolarHBondContact O-N 2.93Å; D736-L739 PolarHBondContact O-N 2.92Å; I737-L739 PolarHBondContact O-N 3.42Å; L739-F742 PolarHBondContact O-N 3.44Å; L739-N743 WeakPolarHBondContact O-CB 3.32Å; L739-N743 PolarHBondContact O-N 3.39Å; L739-W780 HydrophobicContact CD2-CH2 4.2Å; L739-W780 HydrophobicContact CD2-CZ2 4.21Å; L739-W780 WeakPolarHBondContact O-CH2 3.27Å; L739-W780 VanDerWaalsContact O-CZ2 3.23Å; L739-W780 WeakPolarHBondContact O-CZ2 3.39Å; L739-L784 HydrophobicContact CD2-CD2 3.65Å
740	E	92.8	Very high	92.7	Very high	74 Å²	74	42.4 Å²	42.4	35%	0.346	21%	0.205	S	C	.	.	H	α-helix	trans	-79	-33.5	-175.6	-179.2	32.9	-139.4	0	0	112.2	D736 I737 N743 R744	D736-E740 WeakPolarHBondContact O-CB 3.48Å; D736-E740 PolarHBondContact O-N 2.87Å; I737-E740 PolarHBondContact O-N 3.39Å; E740-N743 WeakPolarHBondContact O-CB 3.32Å; E740-N743 PolarHBondContact O-N 3.02Å; E740-N743 PolarHBondContact OE2-ND2 3.38Å; E740-R744 VanDerWaalsContact CG-NH1 3.32Å; E740-R744 PolarHBondContact O-N 3.47Å; E740-R744 IonicContact OE1-CZ 3.9Å; E740-R744 IonicContact OE1-NH1 2.89Å; E740-R744 PolarHBondContact OE1-NH1 3.44Å
741	T	94.6	Very high	92.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-42.5	165.4	-62.5	0	0	0	0	111.3	D534 M537 V538 I737 R744 Y745	D534-T741 HydrophobicContact CB-CG2 4.33Å; D534-T741 PolarHBondContact OD1-OG1 3.5Å; M537-T741 HydrophobicContact CG-CG2 4.44Å; M537-T741 HydrophobicContact SD-CG2 3.87Å; M537-T741 PolarHBondContact SD-OG1 3.38Å; V538-T741 HydrophobicContact CG2-CG2 3.97Å; I737-T741 WeakPolarHBondContact O-CB 3.32Å; I737-T741 PolarHBondContact O-N 3.13Å; I737-T741 PolarHBondContact O-OG1 3.09Å; I737-T741 VanDerWaalsContact O-OG1 3.09Å; T741-R744 PolarHBondContact O-N 3.1Å; T741-R744 PolarHBondContact OG1-NH2 3.18Å; T741-Y745 WeakPolarHBondContact O-CB 3.48Å; T741-Y745 PolarHBondContact O-N 2.84Å
742	F	95.8	Very high	91.8	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-36.8	176.5	-176.4	-156.5	0	0	0	112.2	E708 L711 M712 I715 L738 L739 Y745 A746 W780 I783	E708-F742 HydrophobicContact CB-CE2 3.85Å; E708-F742 HydrophobicContact CB-CZ 3.99Å; E708-F742 HydrophobicContact CG-CE2 3.88Å; E708-F742 HydrophobicContact CG-CZ 4.45Å; L711-F742 HydrophobicContact CB-CB 4.21Å; L711-F742 HydrophobicContact CB-CD1 4.14Å; L711-F742 HydrophobicContact CB-CD2 3.94Å; L711-F742 HydrophobicContact CB-CE2 4.37Å; L711-F742 HydrophobicContact CB-CG 3.84Å; L711-F742 HydrophobicContact CD1-CB 4.19Å; L711-F742 HydrophobicContact CD1-CD2 3.56Å; L711-F742 HydrophobicContact CD1-CE2 4.26Å; L711-F742 HydrophobicContact CD1-CG 4.05Å; L711-F742 HydrophobicContact CG-CD2 4.4Å; M712-F742 HydrophobicContact CG-CE1 3.59Å; M712-F742 HydrophobicContact CG-CZ 3.93Å; M712-F742 HydrophobicContact SD-CZ 4.46Å; I715-F742 HydrophobicContact CD1-CB 4.19Å; I715-F742 HydrophobicContact CD1-CD1 3.61Å; I715-F742 HydrophobicContact CD1-CE1 4.49Å; I715-F742 HydrophobicContact CD1-CG 4.36Å; L738-F742 VanDerWaalsContact O-CB 3.26Å; L738-F742 WeakPolarHBondContact O-CB 3.37Å; L738-F742 PolarHBondContact O-N 3.19Å; L739-F742 PolarHBondContact O-N 3.44Å; F742-Y745 HydrophobicContact CD2-CD1 4.48Å; F742-Y745 PolarHBondContact O-N 2.89Å; F742-A746 HydrophobicContact CD2-CB 4.35Å; F742-A746 HydrophobicContact CE2-CB 4.26Å; F742-A746 VanDerWaalsContact O-CB 3.24Å; F742-A746 WeakPolarHBondContact O-CB 3.26Å; F742-A746 PolarHBondContact O-N 3.36Å; F742-W780 HydrophobicContact CB-CH2 4.05Å; F742-W780 HydrophobicContact CB-CZ3 4.15Å; F742-W780 AromaticContact CD1-CH2 3.72Å; F742-W780 HydrophobicContact CD1-CH2 3.72Å; F742-W780 AromaticContact CD1-CZ3 3.47Å; F742-W780 HydrophobicContact CD1-CZ3 3.47Å; F742-W780 VanDerWaalsContact CD1-CZ3 3.47Å; F742-W780 HydrophobicContact CD2-CZ3 4.26Å; F742-W780 HydrophobicContact CE1-CH2 4.42Å; F742-W780 AromaticContact CE1-CZ3 3.85Å; F742-W780 HydrophobicContact CE1-CZ3 3.85Å; F742-W780 HydrophobicContact CG-CH2 4.02Å; F742-W780 AromaticContact CG-CZ3 3.7Å; F742-W780 HydrophobicContact CG-CZ3 3.7Å; F742-W780 HydrophobicContact CZ-CZ3 4.38Å; F742-I783 HydrophobicContact CE1-CG2 3.66Å; F742-I783 HydrophobicContact CZ-CG2 3.62Å
743	N	93.6	Very high	91.2	Very high	32 Å²	32	48 Å²	48	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-51.4	170.5	-178.7	29	0	0	0	111.2	L739 E740 Y745 A746 N747 W780	L739-N743 WeakPolarHBondContact O-CB 3.32Å; L739-N743 PolarHBondContact O-N 3.39Å; E740-N743 WeakPolarHBondContact O-CB 3.32Å; E740-N743 PolarHBondContact O-N 3.02Å; E740-N743 PolarHBondContact OE2-ND2 3.38Å; N743-Y745 VanDerWaalsContact C-N 3.35Å; N743-Y745 PolarHBondContact O-N 2.88Å; N743-A746 PolarHBondContact O-N 3.24Å; N743-N747 WeakPolarHBondContact O-CB 3.27Å; N743-N747 VanDerWaalsContact O-CG 3.28Å; N743-N747 PolarHBondContact O-N 3.28Å; N743-N747 VanDerWaalsContact O-N 3.11Å; N743-N747 PolarHBondContact O-ND2 3.19Å; N743-N747 PolarHBondContact OD1-ND2 3.24Å; N743-W780 HydrophobicContact CB-CD2 3.97Å; N743-W780 HydrophobicContact CB-CE3 4.38Å; N743-W780 HydrophobicContact CB-CG 4.45Å; N743-W780 HydrophobicContact CB-CH2 4.2Å; N743-W780 HydrophobicContact CB-CZ2 3.76Å; N743-W780 HydrophobicContact CB-CZ3 4.49Å; N743-W780 VanDerWaalsContact OD1-CD1 3.32Å
744	R	91.6	Very high	90.3	Very high	50 Å²	50	45.3 Å²	45.3	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-44.4	174.9	-72.8	-168.1	-68.6	-87.8	2.6	112	W530 D534 E740 T741 R748	W530-R744 HydrophobicContact CE3-CB 3.99Å; W530-R744 HydrophobicContact CZ3-CB 4.11Å; D534-R744 VanDerWaalsContact CG-NE 3.33Å; D534-R744 IonicContact OD1-CZ 2.7Å; D534-R744 IonicContact OD1-NE 2.66Å; D534-R744 PolarHBondContact OD1-NE 3.4Å; D534-R744 IonicContact OD1-NH2 3.27Å; D534-R744 PolarHBondContact OD1-NH2 2.85Å; D534-R744 IonicContact OD2-CZ 3.63Å; D534-R744 IonicContact OD2-NE 2.76Å; D534-R744 PolarHBondContact OD2-NE 2.97Å; D534-R744 IonicContact OD2-NH2 3.63Å; E740-R744 VanDerWaalsContact CG-NH1 3.32Å; E740-R744 PolarHBondContact O-N 3.47Å; E740-R744 IonicContact OE1-CZ 3.9Å; E740-R744 IonicContact OE1-NH1 2.89Å; E740-R744 PolarHBondContact OE1-NH1 3.44Å; T741-R744 PolarHBondContact O-N 3.1Å; T741-R744 PolarHBondContact OG1-NH2 3.18Å; R744-R748 VanDerWaalsContact O-CB 3.24Å; R744-R748 WeakPolarHBondContact O-CB 3.37Å; R744-R748 PolarHBondContact O-N 3.11Å
745	Y	93.2	Very high	89.4	Confident	22 Å²	22	48.6 Å²	48.6	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-52.1	179	-178.7	-94.2	0	0	0	112.1	W530 V538 T707 E708 L711 T741 F742 N743 N747 R748 I749	W530-Y745 AromaticContact CH2-CD2 3.72Å; W530-Y745 HydrophobicContact CH2-CD2 3.72Å; W530-Y745 HydrophobicContact CH2-CG 4.36Å; W530-Y745 HydrophobicContact CZ2-CD2 4.47Å; W530-Y745 VanDerWaalsContact CZ3-CA 3.49Å; W530-Y745 HydrophobicContact CZ3-CD2 4.21Å; V538-Y745 HydrophobicContact CG1-CD2 4.14Å; V538-Y745 HydrophobicContact CG1-CE2 4.04Å; V538-Y745 HydrophobicContact CG2-CD2 4.19Å; T707-Y745 WeakPolarHBondContact CB-OH 3.34Å; T707-Y745 HydrophobicContact CG2-CD1 4.48Å; T707-Y745 HydrophobicContact CG2-CE1 3.7Å; T707-Y745 HydrophobicContact CG2-CE2 3.88Å; T707-Y745 VanDerWaalsContact CG2-OH 3.31Å; T707-Y745 WeakPolarHBondContact CG2-OH 3.34Å; E708-Y745 HydrophobicContact CG-CD1 4.31Å; E708-Y745 HydrophobicContact CG-CE1 3.91Å; L711-Y745 HydrophobicContact CD1-CD1 3.97Å; L711-Y745 HydrophobicContact CD1-CG 4.08Å; T741-Y745 WeakPolarHBondContact O-CB 3.48Å; T741-Y745 PolarHBondContact O-N 2.84Å; F742-Y745 HydrophobicContact CD2-CD1 4.48Å; F742-Y745 PolarHBondContact O-N 2.89Å; N743-Y745 VanDerWaalsContact C-N 3.35Å; N743-Y745 PolarHBondContact O-N 2.88Å; Y745-N747 VanDerWaalsContact C-N 3.28Å; Y745-N747 PolarHBondContact O-N 2.68Å; Y745-R748 WeakPolarHBondContact O-CB 3.26Å; Y745-R748 PolarHBondContact O-N 2.97Å; Y745-R748 VanDerWaalsContact O-N 3.15Å; Y745-I749 HydrophobicContact CD1-CG1 4.08Å; Y745-I749 HydrophobicContact CD2-CG1 4.28Å; Y745-I749 HydrophobicContact CE1-CG1 3.58Å; Y745-I749 HydrophobicContact CE2-CD1 4.04Å; Y745-I749 HydrophobicContact CE2-CG1 3.83Å; Y745-I749 HydrophobicContact CG-CG1 4.39Å; Y745-I749 VanDerWaalsContact CZ-CG1 3.44Å; Y745-I749 WeakPolarHBondContact O-CG1 3.45Å; Y745-I749 PolarHBondContact O-N 3.03Å
746	A	91.1	Very high	88.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-39.5	-177.1	0	0	0	0	0	111.8	F742 N743 R750 W780 I783	F742-A746 HydrophobicContact CD2-CB 4.35Å; F742-A746 HydrophobicContact CE2-CB 4.26Å; F742-A746 VanDerWaalsContact O-CB 3.24Å; F742-A746 WeakPolarHBondContact O-CB 3.26Å; F742-A746 PolarHBondContact O-N 3.36Å; N743-A746 PolarHBondContact O-N 3.24Å; A746-R750 WeakPolarHBondContact O-CB 3.38Å; A746-R750 WeakPolarHBondContact O-CD 3.49Å; A746-R750 VanDerWaalsContact O-CG 3.25Å; A746-R750 WeakPolarHBondContact O-CG 3.45Å; A746-R750 PolarHBondContact O-N 2.99Å; A746-R750 PolarHBondContact O-NH1 2.99Å; A746-R750 VanDerWaalsContact O-NH1 3.09Å; A746-W780 HydrophobicContact CB-CE3 4.37Å; A746-I783 HydrophobicContact CB-CD1 3.93Å
747	N	87.4	Confident	86.9	Confident	77 Å²	77	56.1 Å²	56.1	41%	0.412	25%	0.254	S	S	.	.	H	α-helix	trans	-72	-42.6	175.8	-67.1	-37.4	0	0	0	112	N743 Y745 R750 K751	N743-N747 WeakPolarHBondContact O-CB 3.27Å; N743-N747 VanDerWaalsContact O-CG 3.28Å; N743-N747 PolarHBondContact O-N 3.28Å; N743-N747 VanDerWaalsContact O-N 3.11Å; N743-N747 PolarHBondContact O-ND2 3.19Å; N743-N747 PolarHBondContact OD1-ND2 3.24Å; Y745-N747 VanDerWaalsContact C-N 3.28Å; Y745-N747 PolarHBondContact O-N 2.68Å; N747-R750 PolarHBondContact O-N 3.28Å; N747-K751 VanDerWaalsContact O-CB 3.31Å; N747-K751 WeakPolarHBondContact O-CB 2.95Å; N747-K751 PolarHBondContact O-N 3.22Å
748	R	87.4	Confident	85.2	Confident	84 Å²	84	56.1 Å²	56.1	32%	0.317	26%	0.255	S	S	.	.	H	α-helix	trans	-57.7	-51.8	175.7	177.5	179.8	-179.9	-136.7	9.8	111.5	W530 R744 Y745 R750 K751 I752	W530-R748 VanDerWaalsContact NE1-CZ 3.32Å; R744-R748 VanDerWaalsContact O-CB 3.24Å; R744-R748 WeakPolarHBondContact O-CB 3.37Å; R744-R748 PolarHBondContact O-N 3.11Å; Y745-R748 WeakPolarHBondContact O-CB 3.26Å; Y745-R748 PolarHBondContact O-N 2.97Å; Y745-R748 VanDerWaalsContact O-N 3.15Å; R748-R750 PolarHBondContact O-N 3.43Å; R748-K751 PolarHBondContact O-N 2.86Å; R748-I752 HydrophobicContact CG-CD1 4.04Å; R748-I752 VanDerWaalsContact O-CG1 3.31Å; R748-I752 WeakPolarHBondContact O-CG1 3.25Å; R748-I752 PolarHBondContact O-N 3.25Å
749	I	87.8	Confident	83.4	Confident	30 Å²	30	62.7 Å²	62.7	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-42.6	179.9	-67.1	-57.5	0	0	0	111.4	Y745 I752 R753	Y745-I749 HydrophobicContact CD1-CG1 4.08Å; Y745-I749 HydrophobicContact CD2-CG1 4.28Å; Y745-I749 HydrophobicContact CE1-CG1 3.58Å; Y745-I749 HydrophobicContact CE2-CD1 4.04Å; Y745-I749 HydrophobicContact CE2-CG1 3.83Å; Y745-I749 HydrophobicContact CG-CG1 4.39Å; Y745-I749 VanDerWaalsContact CZ-CG1 3.44Å; Y745-I749 WeakPolarHBondContact O-CG1 3.45Å; Y745-I749 PolarHBondContact O-N 3.03Å; I749-I752 WeakPolarHBondContact O-CB 3.38Å; I749-I752 PolarHBondContact O-N 2.98Å; I749-I752 VanDerWaalsContact O-N 3.14Å; I749-R753 HydrophobicContact CG2-CG 4.24Å; I749-R753 VanDerWaalsContact CG2-NE 3.34Å; I749-R753 WeakPolarHBondContact O-CG 3.48Å; I749-R753 PolarHBondContact O-N 3.3Å
750	R	87.2	Confident	81.5	Confident	21 Å²	21	67.6 Å²	67.6	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-71.2	-35	-177.9	-71.3	171.6	176.7	74.1	7.3	112.8	L702 E708 A746 N747 R748 I752 R753 F754	L702-R750 PolarHBondContact O-NH2 3.38Å; E708-R750 VanDerWaalsContact CD-NH2 3.3Å; E708-R750 IonicContact OE1-CZ 2.7Å; E708-R750 VanDerWaalsContact OE1-CZ 3.27Å; E708-R750 IonicContact OE1-NH1 3.39Å; E708-R750 PolarHBondContact OE1-NH1 3.36Å; E708-R750 IonicContact OE1-NH2 3.97Å; E708-R750 PolarHBondContact OE1-NH2 2.82Å; E708-R750 IonicContact OE2-CZ 3.44Å; E708-R750 IonicContact OE2-NH1 3.28Å; E708-R750 IonicContact OE2-NH2 3.37Å; E708-R750 PolarHBondContact OE2-NH2 2.78Å; A746-R750 WeakPolarHBondContact O-CB 3.38Å; A746-R750 WeakPolarHBondContact O-CD 3.49Å; A746-R750 VanDerWaalsContact O-CG 3.25Å; A746-R750 WeakPolarHBondContact O-CG 3.45Å; A746-R750 PolarHBondContact O-N 2.99Å; A746-R750 PolarHBondContact O-NH1 2.99Å; A746-R750 VanDerWaalsContact O-NH1 3.09Å; N747-R750 PolarHBondContact O-N 3.28Å; R748-R750 PolarHBondContact O-N 3.43Å; R750-I752 VanDerWaalsContact C-N 3.31Å; R750-I752 PolarHBondContact O-N 2.97Å; R750-R753 PolarHBondContact O-N 3.41Å; R750-F754 WeakPolarHBondContact O-CB 3.33Å; R750-F754 PolarHBondContact O-N 2.89Å
751	K	83.5	Confident	79.6	Confident	130 Å²	130	69.4 Å²	69.4	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-60.2	-39.6	168.1	-166.5	172.4	-173.8	171.8	0	111.6	N747 R748 N755	N747-K751 VanDerWaalsContact O-CB 3.31Å; N747-K751 WeakPolarHBondContact O-CB 2.95Å; N747-K751 PolarHBondContact O-N 3.22Å; R748-K751 PolarHBondContact O-N 2.86Å; K751-N755 WeakPolarHBondContact O-CB 3.44Å; K751-N755 PolarHBondContact O-N 3.48Å; K751-N755 PolarHBondContact O-OD1 3.21Å
752	I	83.5	Confident	77.3	Confident	64 Å²	64	76.5 Å²	76.5	33%	0.328	36%	0.359	S	S	.	.	H	α-helix	trans	-69.2	-47	175.3	-67.3	163.7	0	0	0	111.8	R748 I749 R750 F754 N755 R756	R748-I752 HydrophobicContact CG-CD1 4.04Å; R748-I752 VanDerWaalsContact O-CG1 3.31Å; R748-I752 WeakPolarHBondContact O-CG1 3.25Å; R748-I752 PolarHBondContact O-N 3.25Å; I749-I752 WeakPolarHBondContact O-CB 3.38Å; I749-I752 PolarHBondContact O-N 2.98Å; I749-I752 VanDerWaalsContact O-N 3.14Å; R750-I752 VanDerWaalsContact C-N 3.31Å; R750-I752 PolarHBondContact O-N 2.97Å; I752-F754 VanDerWaalsContact C-N 3.35Å; I752-F754 PolarHBondContact O-N 3.05Å; I752-N755 PolarHBondContact O-N 2.61Å; I752-R756 WeakPolarHBondContact O-CG 3.47Å; I752-R756 PolarHBondContact O-N 2.98Å; I752-R756 VanDerWaalsContact O-N 3.1Å
753	R	82.7	Confident	75	Confident	56 Å²	56	82.2 Å²	82.2	21%	0.211	40%	0.399	C	S	.	.	H	α-helix	trans	-58	-46	177.3	-68.1	-176.3	-165.1	175.1	8.5	110.6	E703 D705 E708 I749 R750 R756 M757	E703-R753 PolarHBondContact O-NH1 2.88Å; E703-R753 PolarHBondContact O-NH2 2.89Å; E703-R753 IonicContact OE2-CZ 2.76Å; E703-R753 IonicContact OE2-NH1 3.64Å; E703-R753 PolarHBondContact OE2-NH1 3.04Å; D705-R753 IonicContact OD2-CZ 3.02Å; D705-R753 IonicContact OD2-NH2 2.66Å; D705-R753 PolarHBondContact OD2-NH2 2.68Å; E708-R753 IonicContact OE2-NH2 3.3Å; I749-R753 HydrophobicContact CG2-CG 4.24Å; I749-R753 VanDerWaalsContact CG2-NE 3.34Å; I749-R753 WeakPolarHBondContact O-CG 3.48Å; I749-R753 PolarHBondContact O-N 3.3Å; R750-R753 PolarHBondContact O-N 3.41Å; R753-R756 PolarHBondContact O-N 3.42Å; R753-M757 WeakPolarHBondContact O-CG 3.37Å; R753-M757 PolarHBondContact O-N 3.14Å
754	F	74.6	Confident	72.4	Confident	61 Å²	61	85.2 Å²	85.2	27%	0.268	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-45.6	175.9	179	-118.9	0	0	0	113.4	R750 I752 R756 M757 N758 I772 Q776	R750-F754 WeakPolarHBondContact O-CB 3.33Å; R750-F754 PolarHBondContact O-N 2.89Å; I752-F754 VanDerWaalsContact C-N 3.35Å; I752-F754 PolarHBondContact O-N 3.05Å; F754-R756 VanDerWaalsContact C-N 3.3Å; F754-R756 PolarHBondContact O-N 3.38Å; F754-M757 WeakPolarHBondContact O-CB 3.15Å; F754-M757 PolarHBondContact O-N 3.47Å; F754-M757 VanDerWaalsContact O-N 3.15Å; F754-N758 WeakPolarHBondContact CE1-ND2 3.49Å; F754-N758 WeakPolarHBondContact CE2-ND2 3.43Å; F754-N758 WeakPolarHBondContact CZ-ND2 3.48Å; F754-N758 PolarHBondContact O-N 3.29Å; F754-N758 VanDerWaalsContact O-N 3.09Å; F754-N758 PolarHBondContact O-ND2 2.85Å; F754-I772 HydrophobicContact CE2-CG2 4Å; F754-I772 HydrophobicContact CZ-CG2 4.03Å; F754-Q776 VanDerWaalsContact CD2-NE2 3.33Å; F754-Q776 VanDerWaalsContact CE2-NE2 3.29Å
755	N	75.9	Confident	70	Confident	82 Å²	82	93.4 Å²	93.4	44%	0.439	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-36.4	179	-74.5	-5.5	0	0	0	112.7	K751 I752 N758 H759	K751-N755 WeakPolarHBondContact O-CB 3.44Å; K751-N755 PolarHBondContact O-N 3.48Å; K751-N755 PolarHBondContact O-OD1 3.21Å; I752-N755 PolarHBondContact O-N 2.61Å; N755-N758 PolarHBondContact O-N 2.89Å; N755-H759 PolarHBondContact O-N 2.69Å; N755-H759 VanDerWaalsContact O-N 3.14Å
756	R	74.1	Confident	67.3	Low	175 Å²	175	98.6 Å²	98.6	66%	0.66	49%	0.492	S	S	*	.	H	α-helix	trans	-64.7	-42.7	173.5	-69.5	178	-177.7	179.6	1.2	112	I752 R753 F754 N758 H759 N760	I752-R756 WeakPolarHBondContact O-CG 3.47Å; I752-R756 PolarHBondContact O-N 2.98Å; I752-R756 VanDerWaalsContact O-N 3.1Å; R753-R756 PolarHBondContact O-N 3.42Å; F754-R756 VanDerWaalsContact C-N 3.3Å; F754-R756 PolarHBondContact O-N 3.38Å; R756-N758 VanDerWaalsContact C-N 3.29Å; R756-N758 PolarHBondContact O-N 3.09Å; R756-H759 PolarHBondContact O-N 3.12Å; R756-N760 PolarHBondContact O-N 2.96Å
757	M	64	Low	65	Low	109 Å²	109	103.9 Å²	103.9	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-35.8	176.3	-70.1	175	171.7	0	0	112.6	R753 F754 N761	R753-M757 WeakPolarHBondContact O-CG 3.37Å; R753-M757 PolarHBondContact O-N 3.14Å; F754-M757 WeakPolarHBondContact O-CB 3.15Å; F754-M757 PolarHBondContact O-N 3.47Å; F754-M757 VanDerWaalsContact O-N 3.15Å; M757-N761 PolarHBondContact O-ND2 3.35Å
758	N	57.7	Low	62.8	Low	70 Å²	70	105.8 Å²	105.8	37%	0.374	53%	0.53	S	S	.	.	H	α-helix	trans	-72.1	-42.7	177.3	-67.1	-36.1	0	0	0	112.6	F754 N755 R756 N760 N761 M762	F754-N758 WeakPolarHBondContact CE1-ND2 3.49Å; F754-N758 WeakPolarHBondContact CE2-ND2 3.43Å; F754-N758 WeakPolarHBondContact CZ-ND2 3.48Å; F754-N758 PolarHBondContact O-N 3.29Å; F754-N758 VanDerWaalsContact O-N 3.09Å; F754-N758 PolarHBondContact O-ND2 2.85Å; N755-N758 PolarHBondContact O-N 2.89Å; R756-N758 VanDerWaalsContact C-N 3.29Å; R756-N758 PolarHBondContact O-N 3.09Å; N758-N760 VanDerWaalsContact C-N 3.3Å; N758-N760 PolarHBondContact O-N 3.42Å; N758-N761 PolarHBondContact O-N 3.49Å; N758-N761 VanDerWaalsContact O-N 3.09Å; N758-M762 PolarHBondContact O-N 2.68Å
759	H	57.5	Low	60.7	Low	139 Å²	139	108.5 Å²	108.5	64%	0.644	55%	0.549	S	S	*	.	H	α-helix	trans	-59.5	-39.7	178.4	-96.8	-73.6	0	0	0	112.8	N755 R756 N761	N755-H759 PolarHBondContact O-N 2.69Å; N755-H759 VanDerWaalsContact O-N 3.14Å; R756-H759 PolarHBondContact O-N 3.12Å; H759-N761 PolarHBondContact O-N 3.24Å
760	N	55.1	Low	58.4	Low	140 Å²	140	113.5 Å²	113.5	75%	0.749	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-11.6	179	-68.3	2.1	0	0	0	113.9	R756 N758	R756-N760 PolarHBondContact O-N 2.96Å; N758-N760 VanDerWaalsContact C-N 3.3Å; N758-N760 PolarHBondContact O-N 3.42Å
761	N	52.9	Low	55.9	Low	112 Å²	112	114.8 Å²	114.8	60%	0.599	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	4.5	-177	-76.4	-68.8	0	0	0	114.3	M757 N758 H759 S763 S764	M757-N761 PolarHBondContact O-ND2 3.35Å; N758-N761 PolarHBondContact O-N 3.49Å; N758-N761 VanDerWaalsContact O-N 3.09Å; H759-N761 PolarHBondContact O-N 3.24Å; N761-S763 PolarHBondContact O-N 3.43Å; N761-S764 PolarHBondContact O-N 2.74Å
762	M	47.4	Very low	53.8	Low	152 Å²	152	111.8 Å²	111.8	75%	0.749	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-11.8	-174.2	-86.5	-165.9	67.4	0	0	115.8	N758 S764	N758-M762 PolarHBondContact O-N 2.68Å; M762-S764 VanDerWaalsContact C-N 3.32Å; M762-S764 PolarHBondContact O-N 3.48Å
763	S	47.4	Very low	51.6	Low	121 Å²	121	111.3 Å²	111.3	85%	0.846	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-5	178.2	-55.6	0	0	0	0	114.9	N761	N761-S763 PolarHBondContact O-N 3.43Å
764	S	37.7	Very low	49.6	Very low	94 Å²	94	115.1 Å²	115.1	66%	0.657	61%	0.608	S	S	*	*	S	Bend	trans	-158.9	131.9	178.6	-87.9	0	0	0	0	116.1	N761 M762	N761-S764 PolarHBondContact O-N 2.74Å; M762-S764 VanDerWaalsContact C-N 3.32Å; M762-S764 PolarHBondContact O-N 3.48Å
765	R	41.4	Very low	48	Very low	223 Å²	223	118.1 Å²	118.1	84%	0.842	62%	0.623	S	S	*	*			trans	74.6	116.7	169.3	-58.1	178	177	173.6	-0.5	116.9	I767	R765-I767 VanDerWaalsContact C-N 3.29Å; R765-I767 HydrophobicContact CB-CG1 4.12Å; R765-I767 PolarHBondContact O-N 2.83Å
766	S	36.3	Very low	46.8	Very low	130 Å²	130	117.3 Å²	117.3	91%	0.909	62%	0.616	S	S	*	*			trans	-71.6	74.4	164.9	40.3	0	0	0	0	111.8
767	I	44.5	Very low	45.8	Very low	112 Å²	112	116.2 Å²	116.2	57%	0.574	62%	0.619	S	S	*	*			trans	-70.9	140.8	174.7	-56.2	176	0	0	0	109.6	R765 I769 I772	R765-I767 VanDerWaalsContact C-N 3.29Å; R765-I767 HydrophobicContact CB-CG1 4.12Å; R765-I767 PolarHBondContact O-N 2.83Å; I767-I769 PolarHBondContact O-N 2.72Å; I767-I772 HydrophobicContact CG2-CD1 3.86Å
768	N	40.5	Very low	46	Very low	117 Å²	117	114.7 Å²	114.7	63%	0.626	61%	0.61	S	S	*	*			trans	-67.5	97.4	-172.5	-171.9	-10.7	0	0	0	112	N770 G771	N768-N770 PolarHBondContact O-N 2.87Å; N768-N770 PolarHBondContact OD1-N 2.9Å; N768-G771 PolarHBondContact O-N 3.08Å
769	I	43.6	Very low	47.1	Very low	140 Å²	140	114.9 Å²	114.9	72%	0.718	61%	0.606	S	S	*	*	H	α-helix	trans	-53.2	-30.4	-172.3	-58.3	176.4	0	0	0	112.7	I767 G771	I767-I769 PolarHBondContact O-N 2.72Å; I769-G771 VanDerWaalsContact C-N 3.29Å; I769-G771 PolarHBondContact O-N 3.12Å
770	N	38.2	Very low	48.7	Very low	136 Å²	136	110.1 Å²	110.1	73%	0.727	58%	0.583	S	S	*	*	H	α-helix	trans	-75.3	-10.3	-176.8	-64.6	-30.4	0	0	0	114.6	N768	N768-N770 PolarHBondContact O-N 2.87Å; N768-N770 PolarHBondContact OD1-N 2.9Å
771	G	36.4	Very low	50.4	Low	48 Å²	48	106.6 Å²	106.6	50%	0.495	57%	0.568	S	S	.	*	H	α-helix	trans	-94.2	-32.7	178.5	0	0	0	0	0	114.7	N768 I769 S773	N768-G771 PolarHBondContact O-N 3.08Å; I769-G771 VanDerWaalsContact C-N 3.29Å; I769-G771 PolarHBondContact O-N 3.12Å; G771-S773 VanDerWaalsContact C-N 3.35Å; G771-S773 PolarHBondContact O-N 3.18Å
772	I	37.8	Very low	52.2	Low	66 Å²	66	106.3 Å²	106.3	34%	0.338	56%	0.558	S	S	.	*	H	α-helix	trans	-72.9	-29.8	-173.3	-66.4	170.6	0	0	0	111.8	F754 I767 Q774	F754-I772 HydrophobicContact CE2-CG2 4Å; F754-I772 HydrophobicContact CZ-CG2 4.03Å; I767-I772 HydrophobicContact CG2-CD1 3.86Å; I772-Q774 VanDerWaalsContact C-N 3.26Å; I772-Q774 PolarHBondContact O-N 3.23Å
773	S	38.1	Very low	54.4	Low	54 Å²	54	99.1 Å²	99.1	38%	0.378	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-22.7	-174.8	54.8	0	0	0	0	114.9	G771 Q777	G771-S773 VanDerWaalsContact C-N 3.35Å; G771-S773 PolarHBondContact O-N 3.18Å; S773-Q777 WeakPolarHBondContact O-CG 3.49Å
774	Q	40.3	Very low	56.5	Low	137 Å²	137	95.9 Å²	95.9	64%	0.64	50%	0.495	S	S	*	.	H	α-helix	trans	-83	-39.2	-174.9	-68.9	-170.3	-29.1	0	0	114	I772 Q776	I772-Q774 VanDerWaalsContact C-N 3.26Å; I772-Q774 PolarHBondContact O-N 3.23Å; Q774-Q776 PolarHBondContact O-N 3.25Å
775	Q	42.3	Very low	59	Low	123 Å²	123	96 Å²	96	58%	0.575	49%	0.487	S	S	*	.	H	α-helix	trans	-71.6	-19.9	177.9	-79.1	-176.1	-25.3	0	0	112.9
776	Q	49.5	Very low	61.5	Low	65 Å²	65	85.4 Å²	85.4	30%	0.304	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.7	-177.7	-66.4	179.8	-16	0	0	114.6	F754 Q774 Q778 Y779	F754-Q776 VanDerWaalsContact CD2-NE2 3.33Å; F754-Q776 VanDerWaalsContact CE2-NE2 3.29Å; Q774-Q776 PolarHBondContact O-N 3.25Å; Q776-Q778 PolarHBondContact O-N 3.41Å; Q776-Y779 HydrophobicContact CB-CE2 4.42Å; Q776-Y779 WeakPolarHBondContact O-CD2 3.49Å; Q776-Y779 VanDerWaalsContact O-CE2 3.28Å; Q776-Y779 WeakPolarHBondContact O-CE2 3.2Å
777	Q	53.2	Low	64.2	Low	153 Å²	153	79.8 Å²	79.8	72%	0.715	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	5.6	-174.2	-82.1	177.9	-11.6	0	0	115.7	S773	S773-Q777 WeakPolarHBondContact O-CG 3.49Å
778	Q	67.8	Low	66.4	Low	76 Å²	76	78.5 Å²	78.5	36%	0.355	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	20.5	-171.9	-61.9	-168.2	8.2	0	0	115.8	Q776 R782	Q776-Q778 PolarHBondContact O-N 3.41Å; Q778-R782 WeakPolarHBondContact O-CD 3.25Å; Q778-R782 VanDerWaalsContact O-CG 3.27Å; Q778-R782 WeakPolarHBondContact O-CG 3.47Å
779	Y	81.9	Confident	68.8	Low	75 Å²	75	75.7 Å²	75.7	29%	0.294	39%	0.387	S	S	.	.	H	α-helix	trans	-66.8	-51.5	177.3	-68.8	-87.2	0	0	0	112.6	L702 Q776 R782 I783	L702-Y779 HydrophobicContact CD2-CD1 4.05Å; Q776-Y779 HydrophobicContact CB-CE2 4.42Å; Q776-Y779 WeakPolarHBondContact O-CD2 3.49Å; Q776-Y779 VanDerWaalsContact O-CE2 3.28Å; Q776-Y779 WeakPolarHBondContact O-CE2 3.2Å; Y779-R782 WeakPolarHBondContact O-CA 3.35Å; Y779-R782 WeakPolarHBondContact O-CB 3.43Å; Y779-R782 PolarHBondContact O-N 3.03Å; Y779-I783 WeakPolarHBondContact O-CG1 3.43Å; Y779-I783 PolarHBondContact O-N 3.28Å
780	W	89.9	Confident	71.1	Confident	38 Å²	38	69.1 Å²	69.1	14%	0.144	35%	0.353	C	S	.	.	H	α-helix	trans	-56.1	-48.5	-176.4	179.1	-122.8	0	0	0	114	L739 F742 N743 A746 R782 I783 L784	L739-W780 HydrophobicContact CD2-CH2 4.2Å; L739-W780 HydrophobicContact CD2-CZ2 4.21Å; L739-W780 WeakPolarHBondContact O-CH2 3.27Å; L739-W780 VanDerWaalsContact O-CZ2 3.23Å; L739-W780 WeakPolarHBondContact O-CZ2 3.39Å; F742-W780 HydrophobicContact CB-CH2 4.05Å; F742-W780 HydrophobicContact CB-CZ3 4.15Å; F742-W780 AromaticContact CD1-CH2 3.72Å; F742-W780 HydrophobicContact CD1-CH2 3.72Å; F742-W780 AromaticContact CD1-CZ3 3.47Å; F742-W780 HydrophobicContact CD1-CZ3 3.47Å; F742-W780 VanDerWaalsContact CD1-CZ3 3.47Å; F742-W780 HydrophobicContact CD2-CZ3 4.26Å; F742-W780 HydrophobicContact CE1-CH2 4.42Å; F742-W780 AromaticContact CE1-CZ3 3.85Å; F742-W780 HydrophobicContact CE1-CZ3 3.85Å; F742-W780 HydrophobicContact CG-CH2 4.02Å; F742-W780 AromaticContact CG-CZ3 3.7Å; F742-W780 HydrophobicContact CG-CZ3 3.7Å; F742-W780 HydrophobicContact CZ-CZ3 4.38Å; N743-W780 HydrophobicContact CB-CD2 3.97Å; N743-W780 HydrophobicContact CB-CE3 4.38Å; N743-W780 HydrophobicContact CB-CG 4.45Å; N743-W780 HydrophobicContact CB-CH2 4.2Å; N743-W780 HydrophobicContact CB-CZ2 3.76Å; N743-W780 HydrophobicContact CB-CZ3 4.49Å; N743-W780 VanDerWaalsContact OD1-CD1 3.32Å; A746-W780 HydrophobicContact CB-CE3 4.37Å; W780-R782 VanDerWaalsContact C-N 3.27Å; W780-R782 PolarHBondContact O-N 3.44Å; W780-I783 HydrophobicContact CE3-CB 4.36Å; W780-I783 HydrophobicContact CE3-CD1 4.39Å; W780-I783 HydrophobicContact CE3-CG2 4.37Å; W780-I783 HydrophobicContact CZ3-CG2 4.24Å; W780-I783 PolarHBondContact O-N 3.13Å; W780-L784 HydrophobicContact CD2-CD1 4.3Å; W780-L784 HydrophobicContact CD2-CG 4.2Å; W780-L784 HydrophobicContact CH2-CD2 3.82Å; W780-L784 HydrophobicContact CH2-CG 4.28Å; W780-L784 HydrophobicContact CZ2-CD1 3.91Å; W780-L784 HydrophobicContact CZ2-CD2 3.7Å; W780-L784 HydrophobicContact CZ2-CG 3.93Å; W780-L784 HydrophobicContact CZ3-CD2 4.39Å; W780-L784 PolarHBondContact O-N 2.9Å
781	P	91.2	Very high	73.4	Confident	67 Å²	67	64.1 Å²	64.1	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-35	173.2	-26.2	35.4	0	0	0	114	M785	P781-M785 WeakPolarHBondContact O-CB 3.36Å; P781-M785 VanDerWaalsContact O-CG 3.24Å; P781-M785 WeakPolarHBondContact O-CG 3.14Å; P781-M785 PolarHBondContact O-N 3.21Å
782	R	90.3	Very high	75.7	Confident	106 Å²	106	65.2 Å²	65.2	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-75	-32.7	179.3	-70.6	172.2	57.2	-166.7	-11.3	112.6	R701 L702 Q778 Y779 W780 A786	R701-R782 PolarHBondContact O-NH2 3.4Å; L702-R782 HydrophobicContact CD1-CB 4.14Å; L702-R782 HydrophobicContact CD2-CB 3.71Å; Q778-R782 WeakPolarHBondContact O-CD 3.25Å; Q778-R782 VanDerWaalsContact O-CG 3.27Å; Q778-R782 WeakPolarHBondContact O-CG 3.47Å; Y779-R782 WeakPolarHBondContact O-CA 3.35Å; Y779-R782 WeakPolarHBondContact O-CB 3.43Å; Y779-R782 PolarHBondContact O-N 3.03Å; W780-R782 VanDerWaalsContact C-N 3.27Å; W780-R782 PolarHBondContact O-N 3.44Å; R782-A786 PolarHBondContact O-N 2.9Å; R782-A786 VanDerWaalsContact O-N 3.1Å
783	I	93.2	Very high	77.8	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-51.6	171.5	-66.2	166.8	0	0	0	109.3	L702 I704 F742 A746 Y779 W780 M785 A786 L787	L702-I783 HydrophobicContact CD1-CG1 4.26Å; I704-I783 HydrophobicContact CD1-CD1 4.49Å; I704-I783 HydrophobicContact CD1-CG1 4.03Å; F742-I783 HydrophobicContact CE1-CG2 3.66Å; F742-I783 HydrophobicContact CZ-CG2 3.62Å; A746-I783 HydrophobicContact CB-CD1 3.93Å; Y779-I783 WeakPolarHBondContact O-CG1 3.43Å; Y779-I783 PolarHBondContact O-N 3.28Å; W780-I783 HydrophobicContact CE3-CB 4.36Å; W780-I783 HydrophobicContact CE3-CD1 4.39Å; W780-I783 HydrophobicContact CE3-CG2 4.37Å; W780-I783 HydrophobicContact CZ3-CG2 4.24Å; W780-I783 PolarHBondContact O-N 3.13Å; I783-M785 PolarHBondContact O-N 3.26Å; I783-A786 PolarHBondContact O-N 3.03Å; I783-A786 VanDerWaalsContact O-N 3.12Å; I783-L787 PolarHBondContact O-N 3.44Å
784	L	93	Very high	79.6	Confident	52 Å²	52	59.9 Å²	59.9	27%	0.272	29%	0.292	S	S	.	.	H	α-helix	trans	-58.4	-44.5	176.3	-69.3	179.7	0	0	0	112	L739 W780 A786 L787 T788	L739-L784 HydrophobicContact CD2-CD2 3.65Å; W780-L784 HydrophobicContact CD2-CD1 4.3Å; W780-L784 HydrophobicContact CD2-CG 4.2Å; W780-L784 HydrophobicContact CH2-CD2 3.82Å; W780-L784 HydrophobicContact CH2-CG 4.28Å; W780-L784 HydrophobicContact CZ2-CD1 3.91Å; W780-L784 HydrophobicContact CZ2-CD2 3.7Å; W780-L784 HydrophobicContact CZ2-CG 3.93Å; W780-L784 HydrophobicContact CZ3-CD2 4.39Å; W780-L784 PolarHBondContact O-N 2.9Å; L784-A786 VanDerWaalsContact C-N 3.33Å; L784-A786 PolarHBondContact O-N 3.46Å; L784-L787 PolarHBondContact O-N 3.22Å; L784-L787 VanDerWaalsContact O-N 3.15Å; L784-T788 PolarHBondContact O-N 3.32Å; L784-T788 PolarHBondContact O-OG1 2.89Å
785	M	90.3	Very high	81.2	Confident	97 Å²	97	56.6 Å²	56.6	48%	0.478	28%	0.278	S	S	.	.	H	α-helix	trans	-57.2	-42.6	174.6	-77.3	175.8	68.8	0	0	112.8	P781 I783 L787 T788 E789	P781-M785 WeakPolarHBondContact O-CB 3.36Å; P781-M785 VanDerWaalsContact O-CG 3.24Å; P781-M785 WeakPolarHBondContact O-CG 3.14Å; P781-M785 PolarHBondContact O-N 3.21Å; I783-M785 PolarHBondContact O-N 3.26Å; M785-L787 VanDerWaalsContact C-N 3.34Å; M785-T788 PolarHBondContact O-N 2.92Å; M785-E789 WeakPolarHBondContact O-CB 3.36Å; M785-E789 VanDerWaalsContact O-CG 3.27Å; M785-E789 WeakPolarHBondContact O-CG 3.39Å; M785-E789 PolarHBondContact O-N 2.95Å
786	A	92.7	Very high	82.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-38.4	177.3	0	0	0	0	0	112.1	K698 L699 R782 I783 L784 L790	K698-A786 HydrophobicContact CB-CB 4.47Å; L699-A786 HydrophobicContact CD2-CB 4.22Å; R782-A786 PolarHBondContact O-N 2.9Å; R782-A786 VanDerWaalsContact O-N 3.1Å; I783-A786 PolarHBondContact O-N 3.03Å; I783-A786 VanDerWaalsContact O-N 3.12Å; L784-A786 VanDerWaalsContact C-N 3.33Å; L784-A786 PolarHBondContact O-N 3.46Å; A786-L790 WeakPolarHBondContact O-CB 3.17Å; A786-L790 PolarHBondContact O-N 2.97Å
787	L	93.9	Very high	83.1	Confident	13 Å²	13	50 Å²	50	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-43.8	176.1	-168.7	65	0	0	0	112.2	M712 I715 L716 I783 L784 M785 L790 R791	M712-L787 HydrophobicContact CB-CD1 4.02Å; M712-L787 HydrophobicContact CE-CB 4.23Å; M712-L787 HydrophobicContact CE-CD1 3.7Å; M712-L787 HydrophobicContact CG-CD1 4.17Å; I715-L787 HydrophobicContact CB-CD2 4.47Å; I715-L787 HydrophobicContact CG2-CD2 3.84Å; L716-L787 HydrophobicContact CD1-CD1 3.84Å; L716-L787 HydrophobicContact CD2-CD1 3.88Å; L716-L787 HydrophobicContact CD2-CG 4.4Å; L716-L787 HydrophobicContact CG-CD1 3.83Å; I783-L787 PolarHBondContact O-N 3.44Å; L784-L787 PolarHBondContact O-N 3.22Å; L784-L787 VanDerWaalsContact O-N 3.15Å; M785-L787 VanDerWaalsContact C-N 3.34Å; L787-L790 PolarHBondContact O-N 3.41Å; L787-R791 PolarHBondContact O-N 3.44Å
788	T	91.1	Very high	83.4	Confident	84 Å²	84	45.8 Å²	45.8	52%	0.515	23%	0.233	S	C	.	.	H	α-helix	trans	-65.8	-39.1	175.9	-53.1	0	0	0	0	111.9	L784 M785 R791 S792	L784-T788 PolarHBondContact O-N 3.32Å; L784-T788 PolarHBondContact O-OG1 2.89Å; M785-T788 PolarHBondContact O-N 2.92Å; T788-R791 PolarHBondContact O-N 2.92Å; T788-S792 WeakPolarHBondContact O-CB 3.3Å; T788-S792 PolarHBondContact O-N 2.68Å; T788-S792 PolarHBondContact O-OG 2.75Å
789	E	90.5	Very high	82.4	Confident	59 Å²	59	44.4 Å²	44.4	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-43.3	173	-77.7	178.2	-153.3	0	0	111.5	V695 K698 M785 S792 I793	V695-E789 HydrophobicContact CG2-CB 4.15Å; K698-E789 IonicContact NZ-OE1 3.44Å; K698-E789 PolarHBondContact NZ-OE1 2.73Å; K698-E789 IonicContact NZ-OE2 3.48Å; K698-E789 PolarHBondContact NZ-OE2 3.47Å; M785-E789 WeakPolarHBondContact O-CB 3.36Å; M785-E789 VanDerWaalsContact O-CG 3.27Å; M785-E789 WeakPolarHBondContact O-CG 3.39Å; M785-E789 PolarHBondContact O-N 2.95Å; E789-S792 WeakPolarHBondContact O-CB 3.43Å; E789-S792 PolarHBondContact O-N 3.46Å; E789-I793 WeakPolarHBondContact O-CD1 3.27Å; E789-I793 VanDerWaalsContact O-CG1 3.29Å; E789-I793 WeakPolarHBondContact O-CG1 3.37Å; E789-I793 PolarHBondContact O-N 3.25Å
790	L	90.4	Very high	80.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-47.5	176	-173.1	137.6	0	0	0	111.9	T620 L621 A624 V695 L716 A786 L787 S792 I793 T794	T620-L790 HydrophobicContact CG2-CD1 4.1Å; T620-L790 HydrophobicContact CG2-CG 4.1Å; L621-L790 HydrophobicContact CB-CD1 4.02Å; L621-L790 HydrophobicContact CB-CD2 4.37Å; L621-L790 HydrophobicContact CD1-CD1 4.23Å; A624-L790 HydrophobicContact CB-CD1 4.25Å; V695-L790 HydrophobicContact CG1-CB 4.42Å; V695-L790 HydrophobicContact CG1-CD1 4.19Å; L716-L790 HydrophobicContact CD1-CD2 4.11Å; A786-L790 WeakPolarHBondContact O-CB 3.17Å; A786-L790 PolarHBondContact O-N 2.97Å; L787-L790 PolarHBondContact O-N 3.41Å; L790-S792 VanDerWaalsContact C-N 3.26Å; L790-S792 PolarHBondContact O-N 2.9Å; L790-I793 WeakPolarHBondContact O-CB 3.21Å; L790-I793 PolarHBondContact O-N 2.78Å; L790-I793 VanDerWaalsContact O-N 3.1Å; L790-T794 HydrophobicContact CD2-CG2 4.23Å; L790-T794 WeakPolarHBondContact O-CG2 3.45Å; L790-T794 PolarHBondContact O-N 3.38Å; L790-T794 PolarHBondContact O-OG1 3.28Å
791	R	88.2	Confident	78.6	Confident	32 Å²	32	44.1 Å²	44.1	12%	0.121	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-35.2	174.5	-163	-174.5	-164	81	-0.8	112.4	D617 S719 D721 R722 L787 T788 I793 T794 L795	D617-R791 IonicContact OD2-CZ 2.7Å; D617-R791 IonicContact OD2-NH1 2.66Å; D617-R791 PolarHBondContact OD2-NH1 2.97Å; S719-R791 PolarHBondContact OG-NH1 3.31Å; S719-R791 VanDerWaalsContact OG-NH1 3.07Å; S719-R791 PolarHBondContact OG-NH2 2.8Å; S719-R791 VanDerWaalsContact OG-NH2 3.14Å; D721-R791 IonicContact OD1-CZ 3.37Å; D721-R791 IonicContact OD1-NE 2.6Å; D721-R791 PolarHBondContact OD1-NE 3.02Å; D721-R791 IonicContact OD1-NH2 2.64Å; D721-R791 PolarHBondContact OD1-NH2 2.78Å; D721-R791 IonicContact OD2-CZ 3.33Å; D721-R791 IonicContact OD2-NE 2.68Å; D721-R791 PolarHBondContact OD2-NE 3.47Å; D721-R791 IonicContact OD2-NH2 2.7Å; D721-R791 PolarHBondContact OD2-NH2 3.42Å; R722-R791 VanDerWaalsContact NH1-NH2 3.19Å; L787-R791 PolarHBondContact O-N 3.44Å; T788-R791 PolarHBondContact O-N 2.92Å; R791-I793 VanDerWaalsContact C-N 3.34Å; R791-T794 WeakPolarHBondContact CA-OG1 3.38Å; R791-T794 PolarHBondContact O-N 2.99Å; R791-T794 PolarHBondContact O-OG1 2.76Å; R791-L795 HydrophobicContact CG-CD1 3.99Å; R791-L795 HydrophobicContact CG-CG 4.3Å; R791-L795 VanDerWaalsContact O-CB 3.31Å; R791-L795 WeakPolarHBondContact O-CB 3.27Å; R791-L795 WeakPolarHBondContact O-CG 3.44Å; R791-L795 PolarHBondContact O-N 2.93Å
792	S	84.7	Confident	76.3	Confident	70 Å²	70	45.2 Å²	45.2	49%	0.49	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-36.1	175.5	-58.1	0	0	0	0	112	T788 E789 L790 C796	T788-S792 WeakPolarHBondContact O-CB 3.3Å; T788-S792 PolarHBondContact O-N 2.68Å; T788-S792 PolarHBondContact O-OG 2.75Å; E789-S792 WeakPolarHBondContact O-CB 3.43Å; E789-S792 PolarHBondContact O-N 3.46Å; L790-S792 VanDerWaalsContact C-N 3.26Å; L790-S792 PolarHBondContact O-N 2.9Å; S792-C796 WeakPolarHBondContact O-CB 3.28Å; S792-C796 PolarHBondContact O-N 3.13Å; S792-C796 VanDerWaalsContact O-N 3.15Å
793	I	80.1	Confident	73.7	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-68.9	-44.4	175	-65.4	159.1	0	0	0	110.5	M691 I692 V695 E789 L790 R791 C796 N797	M691-I793 HydrophobicContact CB-CD1 3.57Å; M691-I793 HydrophobicContact CB-CG1 3.72Å; M691-I793 HydrophobicContact CE-CG1 4.31Å; M691-I793 HydrophobicContact CE-CG2 4.47Å; M691-I793 HydrophobicContact SD-CG1 4.28Å; I692-I793 HydrophobicContact CG1-CG2 4.07Å; V695-I793 HydrophobicContact CG2-CD1 3.69Å; E789-I793 WeakPolarHBondContact O-CD1 3.27Å; E789-I793 VanDerWaalsContact O-CG1 3.29Å; E789-I793 WeakPolarHBondContact O-CG1 3.37Å; E789-I793 PolarHBondContact O-N 3.25Å; L790-I793 WeakPolarHBondContact O-CB 3.21Å; L790-I793 PolarHBondContact O-N 2.78Å; L790-I793 VanDerWaalsContact O-N 3.1Å; R791-I793 VanDerWaalsContact C-N 3.34Å; I793-C796 WeakPolarHBondContact O-CB 3.32Å; I793-C796 PolarHBondContact O-N 3.48Å; I793-N797 WeakPolarHBondContact O-CB 3.44Å; I793-N797 PolarHBondContact O-N 3.38Å; I793-N797 PolarHBondContact O-ND2 3.19Å; I793-N797 VanDerWaalsContact O-ND2 3.11Å
794	T	77.8	Confident	71.3	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.5	-45.2	-177.5	58.8	0	0	0	0	111.8	L616 D617 T620 L790 R791 C796 N797 Q798	L616-T794 HydrophobicContact CG-CG2 4.31Å; D617-T794 WeakPolarHBondContact OD1-CB 3.44Å; D617-T794 PolarHBondContact OD1-OG1 2.72Å; T620-T794 HydrophobicContact CG2-CG2 3.99Å; T620-T794 VanDerWaalsContact OG1-CG2 3.31Å; T620-T794 WeakPolarHBondContact OG1-CG2 3.28Å; L790-T794 HydrophobicContact CD2-CG2 4.23Å; L790-T794 WeakPolarHBondContact O-CG2 3.45Å; L790-T794 PolarHBondContact O-N 3.38Å; L790-T794 PolarHBondContact O-OG1 3.28Å; R791-T794 WeakPolarHBondContact CA-OG1 3.38Å; R791-T794 PolarHBondContact O-N 2.99Å; R791-T794 PolarHBondContact O-OG1 2.76Å; T794-C796 VanDerWaalsContact C-N 3.29Å; T794-C796 PolarHBondContact O-N 3.12Å; T794-N797 CarbonylContact O-C 3.29Å; T794-N797 WeakPolarHBondContact O-CA 3.38Å; T794-N797 PolarHBondContact O-N 3.21Å; T794-Q798 WeakPolarHBondContact O-CG 3.17Å; T794-Q798 PolarHBondContact O-N 3.49Å
795	L	72.7	Confident	68.7	Low	67 Å²	67	49.4 Å²	49.4	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-39.1	172.3	-69.9	170.8	0	0	0	112.2	R791 N797	R791-L795 HydrophobicContact CG-CD1 3.99Å; R791-L795 HydrophobicContact CG-CG 4.3Å; R791-L795 VanDerWaalsContact O-CB 3.31Å; R791-L795 WeakPolarHBondContact O-CB 3.27Å; R791-L795 WeakPolarHBondContact O-CG 3.44Å; R791-L795 PolarHBondContact O-N 2.93Å; L795-N797 VanDerWaalsContact C-N 3.29Å; L795-N797 PolarHBondContact O-N 3.02Å
796	C	67.6	Low	66.2	Low	44 Å²	44	51 Å²	51	30%	0.297	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-35.8	171.8	171.7	0	0	0	0	112.5	I385 S792 I793 T794	I385-C796 HydrophobicContact CD1-CB 4.28Å; I385-C796 WeakPolarHBondContact CD1-SG 3.41Å; S792-C796 WeakPolarHBondContact O-CB 3.28Å; S792-C796 PolarHBondContact O-N 3.13Å; S792-C796 VanDerWaalsContact O-N 3.15Å; I793-C796 WeakPolarHBondContact O-CB 3.32Å; I793-C796 PolarHBondContact O-N 3.48Å; T794-C796 VanDerWaalsContact C-N 3.29Å; T794-C796 PolarHBondContact O-N 3.12Å
797	N	64	Low	63.5	Low	6 Å²	6	52.6 Å²	52.6	3%	0.032	29%	0.294	C	S	.	.	H	α-helix	trans	-85.1	-28.9	-177.8	-71.2	-30.7	0	0	0	113.9	L616 C688 I793 T794 L795 G799 L800 F801	L616-N797 HydrophobicContact CD2-CB 4.25Å; C688-N797 PolarHBondContact SG-ND2 3.48Å; I793-N797 WeakPolarHBondContact O-CB 3.44Å; I793-N797 PolarHBondContact O-N 3.38Å; I793-N797 PolarHBondContact O-ND2 3.19Å; I793-N797 VanDerWaalsContact O-ND2 3.11Å; T794-N797 CarbonylContact O-C 3.29Å; T794-N797 WeakPolarHBondContact O-CA 3.38Å; T794-N797 PolarHBondContact O-N 3.21Å; L795-N797 VanDerWaalsContact C-N 3.29Å; L795-N797 PolarHBondContact O-N 3.02Å; N797-G799 PolarHBondContact O-N 2.85Å; N797-G799 VanDerWaalsContact O-N 3.13Å; N797-L800 WeakPolarHBondContact O-CA 3.33Å; N797-L800 WeakPolarHBondContact O-CB 3.45Å; N797-L800 PolarHBondContact O-N 2.97Å; N797-F801 HydrophobicContact CB-CD2 4.39Å; N797-F801 HydrophobicContact CB-CE2 4.21Å; N797-F801 WeakPolarHBondContact O-CD2 3.29Å; N797-F801 PolarHBondContact O-N 2.92Å; N797-F801 VanDerWaalsContact O-N 3.14Å
798	Q	60.9	Low	60.9	Low	65 Å²	65	56.8 Å²	56.8	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-51	-41.2	-175.5	-80.6	176.1	1.6	0	0	112.8	L616 T794 F801 V802	L616-Q798 HydrophobicContact CD2-CG 3.75Å; T794-Q798 WeakPolarHBondContact O-CG 3.17Å; T794-Q798 PolarHBondContact O-N 3.49Å; Q798-F801 PolarHBondContact O-N 2.97Å; Q798-V802 PolarHBondContact O-N 3.33Å
799	G	46.8	Very low	58.5	Low	46 Å²	46	55.9 Å²	55.9	47%	0.474	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-37.8	175	0	0	0	0	0	114	N797 F801 V802 E803	N797-G799 PolarHBondContact O-N 2.85Å; N797-G799 VanDerWaalsContact O-N 3.13Å; G799-F801 VanDerWaalsContact C-N 3.33Å; G799-F801 PolarHBondContact O-N 3.46Å; G799-V802 PolarHBondContact O-N 2.91Å; G799-E803 WeakPolarHBondContact O-CB 3.27Å; G799-E803 PolarHBondContact O-N 2.8Å
800	L	47.1	Very low	56.1	Low	62 Å²	62	53.9 Å²	53.9	33%	0.325	30%	0.302	S	S	.	.	H	α-helix	trans	-69.1	-30	178.9	-64.1	173.9	0	0	0	112.6	N797 K804	N797-L800 WeakPolarHBondContact O-CA 3.33Å; N797-L800 WeakPolarHBondContact O-CB 3.45Å; N797-L800 PolarHBondContact O-N 2.97Å; L800-K804 WeakPolarHBondContact O-CB 3.44Å; L800-K804 PolarHBondContact O-N 3.49Å
801	F	44.9	Very low	53.8	Low	45 Å²	45	60.6 Å²	60.6	20%	0.197	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-48.3	170.7	-83.3	-88.3	0	0	0	111.3	L616 N797 Q798 G799 E803 A805 P814 Y816 F817	L616-F801 HydrophobicContact CD1-CD2 4.29Å; L616-F801 HydrophobicContact CD1-CE1 4.45Å; L616-F801 HydrophobicContact CD1-CE2 3.43Å; L616-F801 VanDerWaalsContact CD1-CE2 3.43Å; L616-F801 HydrophobicContact CD1-CZ 3.51Å; L616-F801 HydrophobicContact CD2-CD2 3.91Å; L616-F801 HydrophobicContact CD2-CE2 3.68Å; L616-F801 HydrophobicContact CG-CE2 4.22Å; N797-F801 HydrophobicContact CB-CD2 4.39Å; N797-F801 HydrophobicContact CB-CE2 4.21Å; N797-F801 WeakPolarHBondContact O-CD2 3.29Å; N797-F801 PolarHBondContact O-N 2.92Å; N797-F801 VanDerWaalsContact O-N 3.14Å; Q798-F801 PolarHBondContact O-N 2.97Å; G799-F801 VanDerWaalsContact C-N 3.33Å; G799-F801 PolarHBondContact O-N 3.46Å; F801-E803 VanDerWaalsContact C-N 3.3Å; F801-E803 PolarHBondContact O-N 3.14Å; F801-A805 WeakPolarHBondContact O-CB 3.39Å; F801-A805 PolarHBondContact O-N 2.88Å; F801-P814 HydrophobicContact CD1-CG 4.5Å; F801-P814 HydrophobicContact CE1-CG 3.43Å; F801-P814 VanDerWaalsContact CE1-CG 3.43Å; F801-P814 HydrophobicContact CE2-CG 4.15Å; F801-P814 HydrophobicContact CZ-CG 3.21Å; F801-Y816 WeakPolarHBondContact CE2-OH 3.13Å; F801-Y816 HydrophobicContact CZ-CE2 4.24Å; F801-Y816 WeakPolarHBondContact CZ-OH 3.4Å; F801-F817 HydrophobicContact CE1-CD2 4.22Å; F801-F817 AromaticContact CE1-CE2 3.42Å; F801-F817 HydrophobicContact CE1-CE2 3.42Å; F801-F817 VanDerWaalsContact CE1-CE2 3.42Å; F801-F817 AromaticContact CE1-CZ 3.78Å; F801-F817 HydrophobicContact CE1-CZ 3.78Å; F801-F817 HydrophobicContact CZ-CD2 4.39Å; F801-F817 AromaticContact CZ-CE2 3.57Å; F801-F817 HydrophobicContact CZ-CE2 3.57Å; F801-F817 HydrophobicContact CZ-CZ 4.25Å
802	V	41.9	Very low	51.7	Low	90 Å²	90	62.3 Å²	62.3	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-39.4	177.9	179.1	0	0	0	0	111	Q798 G799 Y806	Q798-V802 PolarHBondContact O-N 3.33Å; G799-V802 PolarHBondContact O-N 2.91Å; V802-Y806 WeakPolarHBondContact O-CD2 3.46Å
803	E	36.8	Very low	49.7	Very low	125 Å²	125	60 Å²	60	58%	0.584	33%	0.325	S	S	*	.	H	α-helix	trans	-78.4	-30.5	-177.1	-163.3	172.7	-150.5	0	0	113.8	G799 F801	G799-E803 WeakPolarHBondContact O-CB 3.27Å; G799-E803 PolarHBondContact O-N 2.8Å; F801-E803 VanDerWaalsContact C-N 3.3Å; F801-E803 PolarHBondContact O-N 3.14Å
804	K	41.7	Very low	48.2	Very low	84 Å²	84	60.1 Å²	60.1	37%	0.365	33%	0.326	S	S	.	.	H	α-helix	trans	-93.2	-23.4	179	-69.9	-164.1	172.3	-158	0	115.3	T683 L800 Y806 G807	T683-K804 PolarHBondContact O-NZ 3.33Å; L800-K804 WeakPolarHBondContact O-CB 3.44Å; L800-K804 PolarHBondContact O-N 3.49Å; K804-Y806 PolarHBondContact O-N 3.02Å; K804-Y806 VanDerWaalsContact O-N 3.09Å; K804-G807 PolarHBondContact O-N 2.84Å
805	A	39.7	Very low	46.6	Very low	38 Å²	38	61.3 Å²	61.3	31%	0.314	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-2.8	170.5	0	0	0	0	0	113.5	F801 G807	F801-A805 WeakPolarHBondContact O-CB 3.39Å; F801-A805 PolarHBondContact O-N 2.88Å; A805-G807 VanDerWaalsContact C-N 3.33Å
806	Y	36	Very low	45.3	Very low	132 Å²	132	58.2 Å²	58.2	52%	0.518	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.4	173.3	-87.4	-129.9	0	0	0	113.9	V65 T66 V802 K804	V65-Y806 CarbonylContact O-C 3.53Å; V65-Y806 WeakPolarHBondContact O-CA 3.37Å; T66-Y806 HydrophobicContact CG2-CD1 3.3Å; T66-Y806 HydrophobicContact CG2-CD2 4.06Å; T66-Y806 HydrophobicContact CG2-CE1 3.63Å; T66-Y806 HydrophobicContact CG2-CE2 4.33Å; T66-Y806 HydrophobicContact CG2-CG 3.53Å; T66-Y806 VanDerWaalsContact O-CE2 3.24Å; T66-Y806 WeakPolarHBondContact O-CE2 3.42Å; V802-Y806 WeakPolarHBondContact O-CD2 3.46Å; K804-Y806 PolarHBondContact O-N 3.02Å; K804-Y806 VanDerWaalsContact O-N 3.09Å
807	G	36.7	Very low	44.2	Very low	33 Å²	33	57.1 Å²	57.1	34%	0.34	31%	0.305	S	S	.	.	S	Bend	trans	-112.6	134	-179.9	0	0	0	0	0	113.4	K804 A805 T809	K804-G807 PolarHBondContact O-N 2.84Å; A805-G807 VanDerWaalsContact C-N 3.33Å; G807-T809 PolarHBondContact O-N 3.1Å
808	N	38.6	Very low	43.1	Very low	101 Å²	101	60.4 Å²	60.4	54%	0.54	32%	0.32	S	S	.	.	S	Bend	trans	-68.3	34.7	-174.7	-54.4	34.3	0	0	0	115.8
809	T	40.5	Very low	42.2	Very low	64 Å²	64	59.1 Å²	59.1	39%	0.393	31%	0.314	S	S	.	.			trans	-137	97.5	-179	55.7	0	0	0	0	109.9	G807 E811 Q812	G807-T809 PolarHBondContact O-N 3.1Å; T809-E811 PolarHBondContact O-N 2.99Å; T809-E811 VanDerWaalsContact O-N 3.1Å; T809-Q812 WeakPolarHBondContact O-CB 3.25Å; T809-Q812 PolarHBondContact O-N 3.13Å; T809-Q812 PolarHBondContact OG1-NE2 2.76Å
810	T	42	Very low	41.8	Very low	17 Å²	17	57.9 Å²	57.9	10%	0.104	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-68.6	-10.1	-174.3	-18.7	0	0	0	0	114.1	D575 I578 Q812 L813	D575-T810 VanDerWaalsContact CA-OG1 3.27Å; D575-T810 WeakPolarHBondContact CA-OG1 3.36Å; D575-T810 HydrophobicContact CB-CG2 4.5Å; D575-T810 VanDerWaalsContact CB-OG1 3.31Å; D575-T810 WeakPolarHBondContact CB-OG1 3.49Å; D575-T810 PolarHBondContact N-OG1 3.07Å; D575-T810 WeakPolarHBondContact OD1-CB 3.37Å; D575-T810 WeakPolarHBondContact OD1-CG2 3.46Å; D575-T810 PolarHBondContact OD1-OG1 3.03Å; I578-T810 HydrophobicContact CD1-CG2 4Å; T810-Q812 PolarHBondContact O-N 3.08Å; T810-L813 HydrophobicContact CG2-CD1 3.73Å; T810-L813 HydrophobicContact CG2-CG 4.25Å; T810-L813 PolarHBondContact O-N 2.74Å; T810-L813 VanDerWaalsContact O-N 3.17Å
811	E	41.5	Very low	41.5	Very low	143 Å²	143	55.9 Å²	55.9	67%	0.668	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54.5	-15	162.6	-57.9	177.5	157.3	0	0	113	T574 T683 T809	T574-E811 HydrophobicContact CG2-CG 4.41Å; T574-E811 PolarHBondContact OG1-N 3.38Å; T683-E811 WeakPolarHBondContact CG2-O 3.29Å; T683-E811 PolarHBondContact OG1-O 2.7Å; T809-E811 PolarHBondContact O-N 2.99Å; T809-E811 VanDerWaalsContact O-N 3.1Å
812	Q	44.3	Very low	41	Very low	68 Å²	68	58.8 Å²	58.8	32%	0.318	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-88.2	-2.1	177.7	-64.2	-164	55.7	0	0	115.9	T683 T809 T810	T683-Q812 HydrophobicContact CG2-CG 4.2Å; T809-Q812 WeakPolarHBondContact O-CB 3.25Å; T809-Q812 PolarHBondContact O-N 3.13Å; T809-Q812 PolarHBondContact OG1-NE2 2.76Å; T810-Q812 PolarHBondContact O-N 3.08Å
813	L	43.4	Very low	40.5	Very low	22 Å²	22	56.6 Å²	56.6	12%	0.115	30%	0.302	C	S	.	.	S	Bend	trans	-75.7	130.4	170.8	-72	178.4	0	0	0	110.2	L69 I578 T810 W815	L69-L813 HydrophobicContact CD1-CD1 4.44Å; L69-L813 HydrophobicContact CD2-CD1 3.79Å; L69-L813 HydrophobicContact CD2-CD2 4.37Å; I578-L813 HydrophobicContact CB-CD1 4.25Å; I578-L813 HydrophobicContact CD1-CB 3.99Å; I578-L813 HydrophobicContact CD1-CD1 3.86Å; I578-L813 HydrophobicContact CD1-CG 4.46Å; I578-L813 HydrophobicContact CG2-CD1 3.67Å; T810-L813 HydrophobicContact CG2-CD1 3.73Å; T810-L813 HydrophobicContact CG2-CG 4.25Å; T810-L813 PolarHBondContact O-N 2.74Å; T810-L813 VanDerWaalsContact O-N 3.17Å; L813-W815 PolarHBondContact O-N 3.45Å
814	P	46.8	Very low	40.1	Very low	10 Å²	10	56.1 Å²	56.1	7%	0.065	30%	0.303	C	S	.	.			trans	-69.3	134	-169.4	25.1	-32.5	0	0	0	112.2	F801 Y816 F817	F801-P814 HydrophobicContact CD1-CG 4.5Å; F801-P814 HydrophobicContact CE1-CG 3.43Å; F801-P814 VanDerWaalsContact CE1-CG 3.43Å; F801-P814 HydrophobicContact CE2-CG 4.15Å; F801-P814 HydrophobicContact CZ-CG 3.21Å; P814-Y816 HydrophobicContact CB-CD1 4.42Å; P814-Y816 HydrophobicContact CB-CE1 3.98Å; P814-Y816 HydrophobicContact CG-CE1 4.27Å; P814-Y816 HydrophobicContact CG-CE2 4.39Å; P814-Y816 PolarHBondContact O-N 3.33Å; P814-F817 HydrophobicContact CG-CD2 4.22Å; P814-F817 HydrophobicContact CG-CE2 4.45Å; P814-F817 WeakPolarHBondContact O-CB 3.18Å; P814-F817 PolarHBondContact O-N 3.36Å
815	W	44.4	Very low	39.6	Very low	26 Å²	26	61 Å²	61	10%	0.098	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-34.5	-168	67.2	-82.9	0	0	0	118.3	L627 L681 L813 F817 H818 E819	L627-W815 HydrophobicContact CD1-CH2 4.33Å; L681-W815 HydrophobicContact CB-CB 3.9Å; L681-W815 HydrophobicContact CB-CG 3.86Å; L681-W815 HydrophobicContact CD1-CB 4.1Å; L681-W815 HydrophobicContact CD1-CD2 3.76Å; L681-W815 HydrophobicContact CD1-CE3 4.1Å; L681-W815 HydrophobicContact CD1-CG 3.74Å; L681-W815 HydrophobicContact CD2-CB 3.61Å; L681-W815 HydrophobicContact CD2-CG 4.19Å; L681-W815 HydrophobicContact CG-CB 4.02Å; L681-W815 HydrophobicContact CG-CG 4.09Å; L813-W815 PolarHBondContact O-N 3.45Å; W815-F817 PolarHBondContact O-N 3.15Å; W815-F817 VanDerWaalsContact O-N 3.13Å; W815-H818 WeakPolarHBondContact O-CB 3.45Å; W815-H818 PolarHBondContact O-N 2.97Å; W815-E819 HydrophobicContact CZ3-CB 4.47Å; W815-E819 WeakPolarHBondContact CZ3-OE2 3.43Å; W815-E819 PolarHBondContact O-N 3.38Å
816	Y	46.5	Very low	39.3	Very low	2 Å²	2	65.9 Å²	65.9	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-19	179.1	52.8	-104.5	0	0	0	112.1	L616 I619 I692 F801 P814 E819 L820	L616-Y816 HydrophobicContact CD1-CE2 4.03Å; I619-Y816 HydrophobicContact CG2-CD2 3.34Å; I619-Y816 HydrophobicContact CG2-CE2 3.49Å; I619-Y816 VanDerWaalsContact CG2-CE2 3.49Å; I692-Y816 HydrophobicContact CD1-CD1 4.31Å; I692-Y816 HydrophobicContact CD1-CE1 4.01Å; F801-Y816 WeakPolarHBondContact CE2-OH 3.13Å; F801-Y816 HydrophobicContact CZ-CE2 4.24Å; F801-Y816 WeakPolarHBondContact CZ-OH 3.4Å; P814-Y816 HydrophobicContact CB-CD1 4.42Å; P814-Y816 HydrophobicContact CB-CE1 3.98Å; P814-Y816 HydrophobicContact CG-CE1 4.27Å; P814-Y816 HydrophobicContact CG-CE2 4.39Å; P814-Y816 PolarHBondContact O-N 3.33Å; Y816-E819 PolarHBondContact O-N 3.39Å; Y816-L820 WeakPolarHBondContact O-CD1 3.28Å; Y816-L820 WeakPolarHBondContact O-CG 3.41Å; Y816-L820 PolarHBondContact O-N 3.06Å
817	F	43.2	Very low	39	Very low	21 Å²	21	64.3 Å²	64.3	9%	0.092	34%	0.344	C	S	.	.	H	α-helix	trans	-54.4	-52.7	165.1	-85.3	-111.5	0	0	0	110.6	I578 I582 L616 I619 F801 P814 W815 E819 L820 F821	I578-F817 HydrophobicContact CG2-CD1 4.4Å; I582-F817 HydrophobicContact CD1-CD1 4.06Å; I582-F817 HydrophobicContact CD1-CE1 4.04Å; I582-F817 HydrophobicContact CG1-CD1 4.1Å; I582-F817 HydrophobicContact CG1-CE1 4.22Å; L616-F817 HydrophobicContact CD1-CE2 4.34Å; I619-F817 HydrophobicContact CD1-CE2 4.43Å; I619-F817 HydrophobicContact CD1-CZ 4.07Å; F801-F817 HydrophobicContact CE1-CD2 4.22Å; F801-F817 AromaticContact CE1-CE2 3.42Å; F801-F817 HydrophobicContact CE1-CE2 3.42Å; F801-F817 VanDerWaalsContact CE1-CE2 3.42Å; F801-F817 AromaticContact CE1-CZ 3.78Å; F801-F817 HydrophobicContact CE1-CZ 3.78Å; F801-F817 HydrophobicContact CZ-CD2 4.39Å; F801-F817 AromaticContact CZ-CE2 3.57Å; F801-F817 HydrophobicContact CZ-CE2 3.57Å; F801-F817 HydrophobicContact CZ-CZ 4.25Å; P814-F817 HydrophobicContact CG-CD2 4.22Å; P814-F817 HydrophobicContact CG-CE2 4.45Å; P814-F817 WeakPolarHBondContact O-CB 3.18Å; P814-F817 PolarHBondContact O-N 3.36Å; W815-F817 PolarHBondContact O-N 3.15Å; W815-F817 VanDerWaalsContact O-N 3.13Å; F817-E819 VanDerWaalsContact C-N 3.31Å; F817-E819 PolarHBondContact O-N 2.98Å; F817-L820 WeakPolarHBondContact O-CB 3.46Å; F817-L820 PolarHBondContact O-N 3.06Å; F817-F821 HydrophobicContact CB-CE2 4.01Å; F817-F821 AromaticContact CD1-CE2 3.87Å; F817-F821 HydrophobicContact CD1-CE2 3.87Å; F817-F821 HydrophobicContact CD1-CZ 4.14Å; F817-F821 HydrophobicContact CG-CE2 4.36Å; F817-F821 WeakPolarHBondContact O-CB 3.32Å; F817-F821 WeakPolarHBondContact O-CD2 3.41Å; F817-F821 VanDerWaalsContact O-CE2 3.27Å; F817-F821 WeakPolarHBondContact O-CE2 3.43Å; F817-F821 WeakPolarHBondContact O-CG 3.45Å
818	H	40.9	Very low	38.5	Very low	74 Å²	74	70.3 Å²	70.3	34%	0.343	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-37.7	176.4	-65.6	-76	0	0	0	113.5	I578 W815 L820 F821 T822	I578-H818 VanDerWaalsContact CG1-CE1 3.43Å; I578-H818 WeakPolarHBondContact CG1-CE1 3.47Å; W815-H818 WeakPolarHBondContact O-CB 3.45Å; W815-H818 PolarHBondContact O-N 2.97Å; H818-L820 PolarHBondContact O-N 2.7Å; H818-F821 WeakPolarHBondContact O-CB 3.27Å; H818-F821 PolarHBondContact O-N 3.41Å; H818-F821 VanDerWaalsContact O-N 3.12Å; H818-T822 PolarHBondContact O-N 3Å; H818-T822 PolarHBondContact O-OG1 3.04Å
819	E	43.4	Very low	38	Very low	39 Å²	39	72.6 Å²	72.6	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-68.8	-27.7	-179.8	-168.2	178.4	-124.1	0	0	113.5	L626 W815 Y816 F817 F821	L626-E819 HydrophobicContact CD1-CG 4.36Å; W815-E819 HydrophobicContact CZ3-CB 4.47Å; W815-E819 WeakPolarHBondContact CZ3-OE2 3.43Å; W815-E819 PolarHBondContact O-N 3.38Å; Y816-E819 PolarHBondContact O-N 3.39Å; F817-E819 VanDerWaalsContact C-N 3.31Å; F817-E819 PolarHBondContact O-N 2.98Å; E819-F821 PolarHBondContact O-N 2.94Å
820	L	38.8	Very low	37.4	Very low	19 Å²	19	76.4 Å²	76.4	10%	0.099	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.3	171.9	-63.4	151.3	0	0	0	113.4	M585 I619 R622 Y816 F817 H818	M585-L820 HydrophobicContact CE-CB 4.4Å; M585-L820 HydrophobicContact CE-CD1 3.69Å; M585-L820 HydrophobicContact CE-CD2 4.47Å; M585-L820 HydrophobicContact CE-CG 4.4Å; I619-L820 HydrophobicContact CB-CD1 4.09Å; I619-L820 HydrophobicContact CB-CD2 4.19Å; I619-L820 HydrophobicContact CD1-CD1 3.97Å; I619-L820 HydrophobicContact CG1-CD1 3.71Å; I619-L820 HydrophobicContact CG1-CD2 4.01Å; I619-L820 HydrophobicContact CG2-CD1 3.46Å; I619-L820 VanDerWaalsContact CG2-CD1 3.46Å; I619-L820 HydrophobicContact CG2-CD2 4.09Å; I619-L820 HydrophobicContact CG2-CG 4.2Å; R622-L820 HydrophobicContact CB-CD2 4.37Å; Y816-L820 WeakPolarHBondContact O-CD1 3.28Å; Y816-L820 WeakPolarHBondContact O-CG 3.41Å; Y816-L820 PolarHBondContact O-N 3.06Å; F817-L820 WeakPolarHBondContact O-CB 3.46Å; F817-L820 PolarHBondContact O-N 3.06Å; H818-L820 PolarHBondContact O-N 2.7Å
821	F	39	Very low	36.7	Very low	21 Å²	21	81.3 Å²	81.3	9%	0.092	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-30.7	-151.8	-73.3	-20.4	0	0	0	113.5	I578 L581 I582 M585 F817 H818 E819 G823	I578-F821 HydrophobicContact CG2-CE2 4.34Å; L581-F821 VanDerWaalsContact C-CE1 3.5Å; L581-F821 HydrophobicContact CB-CB 3.49Å; L581-F821 VanDerWaalsContact CB-CB 3.49Å; L581-F821 HydrophobicContact CB-CD1 3.77Å; L581-F821 HydrophobicContact CB-CD2 3.44Å; L581-F821 VanDerWaalsContact CB-CD2 3.44Å; L581-F821 HydrophobicContact CB-CE1 4.4Å; L581-F821 HydrophobicContact CB-CE2 4.16Å; L581-F821 HydrophobicContact CB-CG 3.28Å; L581-F821 HydrophobicContact CD1-CB 3.71Å; L581-F821 HydrophobicContact CD1-CD2 4.32Å; L581-F821 HydrophobicContact CD1-CG 4.31Å; L581-F821 HydrophobicContact CD2-CB 4.3Å; L581-F821 HydrophobicContact CG-CB 3.99Å; L581-F821 HydrophobicContact CG-CD2 4.49Å; L581-F821 HydrophobicContact CG-CG 4.31Å; L581-F821 VanDerWaalsContact O-CD1 3.28Å; L581-F821 WeakPolarHBondContact O-CD1 3.48Å; L581-F821 WeakPolarHBondContact O-CE1 3.44Å; I582-F821 VanDerWaalsContact CA-CZ 3.47Å; I582-F821 HydrophobicContact CB-CE2 4.5Å; I582-F821 HydrophobicContact CB-CZ 4.08Å; I582-F821 HydrophobicContact CG1-CE2 3.59Å; I582-F821 HydrophobicContact CG1-CZ 3.44Å; I582-F821 VanDerWaalsContact CG1-CZ 3.44Å; M585-F821 HydrophobicContact CB-CD1 4.39Å; M585-F821 HydrophobicContact CB-CE1 3.71Å; M585-F821 HydrophobicContact CE-CD1 4.46Å; M585-F821 HydrophobicContact CE-CE1 3.3Å; M585-F821 HydrophobicContact CE-CZ 3.53Å; M585-F821 HydrophobicContact CG-CE1 4.26Å; F817-F821 HydrophobicContact CB-CE2 4.01Å; F817-F821 AromaticContact CD1-CE2 3.87Å; F817-F821 HydrophobicContact CD1-CE2 3.87Å; F817-F821 HydrophobicContact CD1-CZ 4.14Å; F817-F821 HydrophobicContact CG-CE2 4.36Å; F817-F821 WeakPolarHBondContact O-CB 3.32Å; F817-F821 WeakPolarHBondContact O-CD2 3.41Å; F817-F821 VanDerWaalsContact O-CE2 3.27Å; F817-F821 WeakPolarHBondContact O-CE2 3.43Å; F817-F821 WeakPolarHBondContact O-CG 3.45Å; H818-F821 WeakPolarHBondContact O-CB 3.27Å; H818-F821 PolarHBondContact O-N 3.41Å; H818-F821 VanDerWaalsContact O-N 3.12Å; E819-F821 PolarHBondContact O-N 2.94Å; F821-G823 PolarHBondContact O-N 3.18Å
822	T	35.6	Very low	35.9	Very low	106 Å²	106	82.5 Å²	82.5	65%	0.65	43%	0.429	S	S	*	.	S	Bend	trans	-79.8	47.8	161.5	59.1	0	0	0	0	110	H818	H818-T822 PolarHBondContact O-N 3Å; H818-T822 PolarHBondContact O-OG1 3.04Å
823	G	31.4	Very low	35.1	Very low	43 Å²	43	84.1 Å²	84.1	44%	0.443	45%	0.447	S	S	.	.			trans	-89.1	-6.8	-162.4	0	0	0	0	0	116.3	F821	F821-G823 PolarHBondContact O-N 3.18Å
824	D	27.9	Very low	34.2	Very low	116 Å²	116	87.7 Å²	87.7	62%	0.62	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	148.4	174.7	-65.8	-37.6	0	0	0	111.1
825	F	31.6	Very low	33.2	Very low	187 Å²	187	96 Å²	96	82%	0.82	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	16.6	168.5	-63.7	-77.8	0	0	0	121.6
826	I	31.9	Very low	32.4	Very low	139 Å²	139	102.2 Å²	102.2	71%	0.713	54%	0.54	S	S	*	.	S	Bend	trans	-105.5	-9.2	176.4	-66	-176.3	0	0	0	115.6
827	L	29.7	Very low	31.4	Very low	99 Å²	99	107.7 Å²	107.7	52%	0.518	58%	0.579	S	S	.	*	S	Bend	trans	-134.3	38.1	-178.8	-71.8	177.6	0	0	0	115.3	L549	L549-L827 HydrophobicContact CD2-CD1 4.5Å
828	Q	27.8	Very low	30.7	Very low	160 Å²	160	110.4 Å²	110.4	75%	0.748	61%	0.613	S	S	*	*	S	Bend	trans	-106	129.1	163.9	-91.3	179.9	-31.6	0	0	111.5
829	E	28.5	Very low	30.1	Very low	149 Å²	149	113.8 Å²	113.8	70%	0.696	63%	0.633	S	S	*	*			trans	61.6	68.1	155.9	-52.4	-156.7	120.6	0	0	119.4	N831	E829-N831 HydrophobicContact CB-CB 4.24Å; E829-N831 PolarHBondContact O-N 3.42Å; E829-N831 PolarHBondContact OE1-ND2 3.18Å
830	T	27.3	Very low	29.4	Very low	144 Å²	144	117.8 Å²	117.8	88%	0.883	66%	0.656	S	S	*	*			trans	-79.9	58.4	134.5	59.9	0	0	0	0	109.6
831	N	26.6	Very low	29	Very low	119 Å²	119	123.2 Å²	123.2	64%	0.636	69%	0.685	S	S	*	*			trans	-76.9	134.2	179.6	-107.2	-25.7	0	0	0	110.2	E829	E829-N831 HydrophobicContact CB-CB 4.24Å; E829-N831 PolarHBondContact O-N 3.42Å; E829-N831 PolarHBondContact OE1-ND2 3.18Å
832	I	25	Very low	28.7	Very low	169 Å²	169	128 Å²	128	87%	0.867	71%	0.711	S	S	*	*			trans	-97.7	103	-173.2	-60	172	0	0	0	109.1
833	S	26.8	Very low	28.4	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	71%	0.712	S	S	*	*			trans	-144.1	91.4	170.8	60.9	0	0	0	0	112.8
834	S	26	Very low	28.4	Very low	97 Å²	97	133 Å²	133	68%	0.678	72%	0.724	S	S	*	*			trans	25.9	121	137	57.3	0	0	0	0	121.4
835	F	24.8	Very low	28.4	Very low	186 Å²	186	133.9 Å²	133.9	82%	0.816	73%	0.729	S	S	*	*			trans	67.6	150.5	132.3	-85.3	-110.9	0	0	0	121.6
836	E	27	Very low	28	Very low	156 Å²	156	132.6 Å²	132.6	73%	0.729	73%	0.73	S	S	*	*			trans	49.4	96.2	155	-70.6	163.1	-162.1	0	0	117.8
837	S	27.2	Very low	27.9	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	76%	0.762	S	S	*	*				63.7	109.4	76.3	78.6	0	0	0	0	114.8
838	G	26.8	Very low	27.8	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	77%	0.774	S	S	*	*			trans	162.7	93.1	172.6	0	0	0	0	0	114.9
839	N	28.1	Very low	27.8	Very low	144 Å²	144	136.4 Å²	136.4	77%	0.77	78%	0.775	S	S	*	*			trans	-11.6	145.3	159.4	-90.2	6.3	0	0	0	120.7
840	N	29.5	Very low	27.8	Very low	124 Å²	124	135.7 Å²	135.7	66%	0.663	78%	0.78	S	S	*	*			trans	80.8	112.4	139.9	-61.7	-1.9	0	0	0	120.4
841	N	30.1	Very low	27.8	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	77%	0.773	S	S	*	*				83.2	149.3	125.6	-74.9	29.9	0	0	0	121.5
842	D	32.3	Very low	27.9	Very low	122 Å²	122	136.3 Å²	136.3	65%	0.652	78%	0.782	S	S	*	*			trans	71	91.1	147.4	-63.2	-27.6	0	0	0	120
843	N	30.7	Very low	28.1	Very low	124 Å²	124	134.1 Å²	134.1	66%	0.663	78%	0.776	S	S	*	*				83.1	121.4	120.8	-61.8	-45.6	0	0	0	120.7
844	N	29.7	Very low	28.2	Very low	130 Å²	130	136.4 Å²	136.4	70%	0.695	78%	0.781	S	S	*	*			trans	80.2	126	136.3	-62.9	-18.9	0	0	0	121.1
845	N	29.5	Very low	28.4	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	79%	0.789	S	S	*	*			trans	76.6	114	139.5	-61.5	-12.7	0	0	0	121
846	L	23.6	Very low	28.7	Very low	161 Å²	161	135.6 Å²	135.6	84%	0.843	79%	0.787	S	S	*	*			trans	53.7	114.3	134.3	-83.1	65.3	0	0	0	119.3
847	C	29.7	Very low	28.8	Very low	205 Å²	205	133.7 Å²	133.7	100%	1.385	79%	0.792	S	S	*	*				-140.2	0	103.2	-142.2	0	0	0	0	109.4

Retrieved 847 of 847 residues in 131.8 ms (Link to these results)

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