A0A077Z792_TRITR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077Z792, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	30.9	Very low	242 Å²	242	139.7 Å²	139.7	100%	1.192	84%	0.839	S	S	*	*				0	106.3	0	-75.3	178.2	157.9	0	0	107.2
2	T	26.6	Very low	30.9	Very low	134 Å²	134	136.6 Å²	136.6	82%	0.822	83%	0.827	S	S	*	*			trans	-83.3	125	-176.6	43	0	0	0	0	110.1
3	N	35	Very low	30.8	Very low	165 Å²	165	133.2 Å²	133.2	88%	0.882	82%	0.822	S	S	*	*			trans	-149.8	111.3	160.4	-70.4	-38.6	0	0	0	104.2
4	G	27.9	Very low	30.8	Very low	77 Å²	77	135.8 Å²	135.8	79%	0.794	82%	0.82	S	S	*	*			cis	118.2	60.6	37.8	0	0	0	0	0	107.7
5	V	32.2	Very low	30.9	Very low	128 Å²	128	133 Å²	133	78%	0.776	81%	0.809	S	S	*	*			trans	-90	107	178.3	179.8	0	0	0	0	108.5	L7	V5-L7 PolarHBondContact O-N 3.47Å
6	Q	32.7	Very low	30.8	Very low	181 Å²	181	133.6 Å²	133.6	85%	0.846	81%	0.813	S	S	*	*			trans	-71.9	114.5	166.3	-78.6	175.5	-22.5	0	0	108.9
7	L	30.5	Very low	30.9	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	80%	0.804	S	S	*	*			trans	-85.5	106.5	168.7	-70.3	169.8	0	0	0	108.7	V5	V5-L7 PolarHBondContact O-N 3.47Å
8	L	35.5	Very low	31	Very low	169 Å²	169	135.5 Å²	135.5	89%	0.885	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-86.2	116.7	164	-77.2	161.2	0	0	0	108.2
9	G	27.2	Very low	31.1	Very low	77 Å²	77	134.5 Å²	134.5	79%	0.794	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.7	140.8	179	0	0	0	0	0	112.9
10	C	29.7	Very low	31.1	Very low	75 Å²	75	133.9 Å²	133.9	51%	0.507	80%	0.8	S	S	.	*	P	Polyproline II helix	trans	-90.8	125.3	170.8	-172.7	0	0	0	0	110.8	C12	C10-C12 WeakPolarHBondContact CB-SG 2.98Å; C10-C12 PolarHBondContact O-N 3.41Å; C10-C12 WeakPolarHBondContact SG-CB 3.38Å; C10-C12 CovalentContact SG-SG 2.08Å; C10-C12 PolarHBondContact SG-SG 3.34Å
11	S	31.1	Very low	31.3	Very low	127 Å²	127	134 Å²	134	89%	0.888	80%	0.802	S	S	*	*			trans	-81.2	96.7	157.3	-64.8	0	0	0	0	107.9
12	C	31	Very low	31.7	Very low	102 Å²	102	130.9 Å²	130.9	69%	0.689	78%	0.784	S	S	*	*			trans	-143.6	66.3	174	30.3	0	0	0	0	110.8	C10	C10-C12 WeakPolarHBondContact CB-SG 2.98Å; C10-C12 PolarHBondContact O-N 3.41Å; C10-C12 WeakPolarHBondContact SG-CB 3.38Å; C10-C12 CovalentContact SG-SG 2.08Å; C10-C12 PolarHBondContact SG-SG 3.34Å
13	A	29	Very low	32.4	Very low	92 Å²	92	133.9 Å²	133.9	76%	0.76	79%	0.789	S	S	*	*			trans	-136.6	91.9	156.5	0	0	0	0	0	106.7
14	E	30.8	Very low	32.6	Very low	170 Å²	170	131.2 Å²	131.2	79%	0.794	79%	0.79	S	S	*	*			trans	-162.4	107.9	158	-149.4	53.6	-113.1	0	0	110.8
15	S	32.1	Very low	33.1	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	79%	0.789	S	S	*	*			trans	60.2	96.9	137.5	-65.8	0	0	0	0	120.6	R17	S15-R17 PolarHBondContact O-N 3.49Å
16	T	30	Very low	33.4	Very low	142 Å²	142	133.3 Å²	133.3	87%	0.871	80%	0.796	S	S	*	*			trans	-72.5	102.6	148.4	-25.4	0	0	0	0	109.1
17	R	31.7	Very low	33.6	Very low	177 Å²	177	128.2 Å²	128.2	67%	0.668	79%	0.792	S	S	*	*			trans	-142.7	104.3	154	-81.2	-166.3	176.7	154.3	-2.6	110.4	S15	S15-R17 PolarHBondContact O-N 3.49Å
18	V	32.5	Very low	34	Very low	125 Å²	125	125.8 Å²	125.8	76%	0.758	79%	0.789	S	S	*	*			trans	-79.8	127.5	160	173.4	0	0	0	0	107
19	S	34.4	Very low	34	Very low	117 Å²	117	123.6 Å²	123.6	82%	0.818	78%	0.782	S	S	*	*			trans	-154.4	115.1	152.8	-76.1	0	0	0	0	109.9
20	T	30.6	Very low	34.6	Very low	122 Å²	122	129.2 Å²	129.2	75%	0.748	79%	0.787	S	S	*	*			trans	-69.5	131.7	170.3	-54.5	0	0	0	0	109.9
21	T	35.1	Very low	34.9	Very low	136 Å²	136	131.4 Å²	131.4	83%	0.834	80%	0.804	S	S	*	*			trans	-148	120.8	150.3	-37.9	0	0	0	0	109.9
22	Q	40.9	Very low	35.3	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.822	80%	0.797	S	S	*	*			trans	-67.6	136.4	168.3	-72.5	165.1	-29.5	0	0	109.6
23	Q	40.9	Very low	35.7	Very low	198 Å²	198	129 Å²	129	93%	0.925	80%	0.799	S	S	*	*			trans	-157.9	129.4	140.8	-113.2	170.3	11.1	0	0	110.4
24	A	38.4	Very low	36	Very low	109 Å²	109	132.3 Å²	132.3	90%	0.901	80%	0.804	S	S	*	*			trans	-72.3	153.2	177.1	0	0	0	0	0	111.5
25	G	38.9	Very low	36.4	Very low	75 Å²	75	128.1 Å²	128.1	77%	0.773	81%	0.806	S	S	*	*			trans	170.7	105.9	170.6	0	0	0	0	0	112
26	D	37.7	Very low	36.6	Very low	174 Å²	174	129.5 Å²	129.5	93%	0.93	81%	0.811	S	S	*	*			trans	-56.6	155	-179.4	-58.4	-56.9	0	0	0	114.9
27	G	37.7	Very low	37.1	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	81%	0.811	S	S	*	*			trans	163.1	76.7	163.2	0	0	0	0	0	118.5
28	S	38.2	Very low	37.1	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	82%	0.819	S	S	*	*			trans	53.1	109.1	135.2	-158.8	0	0	0	0	122.3
29	V	36	Very low	37.5	Very low	123 Å²	123	127.1 Å²	127.1	75%	0.745	82%	0.821	S	S	*	*				36.7	119.4	121.7	-168.1	0	0	0	0	118.7
30	Q	40.6	Very low	37.6	Very low	194 Å²	194	129.5 Å²	129.5	91%	0.907	82%	0.819	S	S	*	*				-172.3	142.7	115.6	-99	176.4	10.3	0	0	113.4
31	S	35.8	Very low	37.7	Very low	121 Å²	121	130 Å²	130	85%	0.846	82%	0.822	S	S	*	*			trans	-89.2	151	-171.3	46.6	0	0	0	0	114.7
32	G	38.7	Very low	38.1	Very low	73 Å²	73	129.8 Å²	129.8	75%	0.753	83%	0.826	S	S	*	*			trans	-169.6	96.3	158.5	0	0	0	0	0	109.3
33	S	39.5	Very low	37.9	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	82%	0.823	S	S	*	*				79.9	101	89.2	-177.3	0	0	0	0	115.1
34	L	36	Very low	37.8	Very low	163 Å²	163	125.3 Å²	125.3	85%	0.853	82%	0.821	S	S	*	*			trans	58.3	124.5	131.4	-60.2	168.2	0	0	0	121.2
35	G	39.5	Very low	37.6	Very low	82 Å²	82	123.1 Å²	123.1	85%	0.845	81%	0.809	S	S	*	*			trans	-166.1	89	157.3	0	0	0	0	0	110.7
36	T	34.9	Very low	37.5	Very low	123 Å²	123	126.1 Å²	126.1	76%	0.755	81%	0.812	S	S	*	*			trans	-90.7	136	175.9	50.5	0	0	0	0	111.2
37	T	40.4	Very low	37.3	Very low	144 Å²	144	122.8 Å²	122.8	88%	0.883	80%	0.802	S	S	*	*			trans	-147.2	116.1	151.3	49.4	0	0	0	0	110.2
38	S	33	Very low	36.9	Very low	117 Å²	117	125.5 Å²	125.5	82%	0.818	80%	0.804	S	S	*	*			trans	-83.1	145.2	170	-65.3	0	0	0	0	111.5
39	V	41.5	Very low	36.7	Very low	132 Å²	132	126.1 Å²	126.1	80%	0.8	81%	0.809	S	S	*	*			trans	-146.8	107.5	149.4	-178.2	0	0	0	0	110.2
40	E	36.5	Very low	36.5	Very low	167 Å²	167	126 Å²	126	78%	0.78	81%	0.808	S	S	*	*			trans	35.2	105.7	132.9	-57.5	-176.2	159	0	0	119.9
41	T	32.3	Very low	36.3	Very low	133 Å²	133	122.8 Å²	122.8	82%	0.816	81%	0.807	S	S	*	*				60.9	112.6	93.5	54.6	0	0	0	0	117.9
42	S	42.4	Very low	35.9	Very low	131 Å²	131	122.7 Å²	122.7	92%	0.916	80%	0.801	S	S	*	*			trans	-155.1	133.8	135.6	19.5	0	0	0	0	110.5
43	S	36.5	Very low	35.7	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	81%	0.805	S	S	*	*			trans	-117.4	132.3	-163.6	49.5	0	0	0	0	111.3
44	I	39.6	Very low	35.3	Very low	171 Å²	171	130.4 Å²	130.4	88%	0.877	81%	0.81	S	S	*	*			trans	-151	103	154.3	-54.5	-178	0	0	0	105
45	G	34.1	Very low	35.4	Very low	63 Å²	63	127 Å²	127	65%	0.649	80%	0.798	S	S	*	*				65.5	111.6	89.7	0	0	0	0	0	110.7
46	V	36	Very low	35	Very low	137 Å²	137	129.9 Å²	129.9	83%	0.83	79%	0.794	S	S	*	*				-177.8	129.1	71.6	161.1	0	0	0	0	109.8
47	S	34.9	Very low	35	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	80%	0.801	S	S	*	*			trans	57.1	105.3	141.7	-45.7	0	0	0	0	124.8
48	T	28.5	Very low	34.6	Very low	132 Å²	132	130.3 Å²	130.3	81%	0.81	79%	0.792	S	S	*	*			trans	-16	139.2	137	48.4	0	0	0	0	120.4
49	S	34.7	Very low	34.7	Very low	124 Å²	124	132.7 Å²	132.7	87%	0.867	80%	0.795	S	S	*	*				-152.5	128.5	117.3	52.1	0	0	0	0	111.1
50	V	31.9	Very low	34.2	Very low	120 Å²	120	131.3 Å²	131.3	73%	0.727	79%	0.792	S	S	*	*			trans	-101.1	138.5	173.8	160.6	0	0	0	0	106.9
51	S	34.9	Very low	34.2	Very low	127 Å²	127	130.3 Å²	130.3	89%	0.888	80%	0.796	S	S	*	*			trans	-150.3	103.5	157.7	-71.1	0	0	0	0	109.6
52	T	29	Very low	33.8	Very low	119 Å²	119	129.7 Å²	129.7	73%	0.73	79%	0.793	S	S	*	*			trans	-78.8	146.4	160.2	-43.2	0	0	0	0	108.6
53	L	33.8	Very low	33.4	Very low	160 Å²	160	129.9 Å²	129.9	84%	0.838	79%	0.788	S	S	*	*			trans	160.2	97.5	154.6	-87.1	157.5	0	0	0	107.1
54	E	31.8	Very low	33.4	Very low	179 Å²	179	129.4 Å²	129.4	84%	0.836	79%	0.785	S	S	*	*				84.9	146.5	92.4	-81.9	-120.7	121.9	0	0	115.4
55	P	36.8	Very low	33	Very low	93 Å²	93	129.4 Å²	129.4	60%	0.604	79%	0.786	S	S	*	*			trans	-109.3	177.5	-160.6	38.4	-25.2	0	0	0	115.3
56	N	30.6	Very low	33	Very low	142 Å²	142	130.2 Å²	130.2	76%	0.759	80%	0.795	S	S	*	*			trans	80.7	118.1	167.2	-52.9	-39.1	0	0	0	117.8
57	H	36.5	Very low	32.8	Very low	191 Å²	191	129.9 Å²	129.9	88%	0.884	80%	0.799	S	S	*	*				-175.2	135.8	118.4	-105.1	-78.5	0	0	0	110.9
58	A	30.4	Very low	32.7	Very low	84 Å²	84	128.6 Å²	128.6	69%	0.694	80%	0.802	S	S	*	*			trans	-70	148.3	173.5	0	0	0	0	0	111.3
59	D	35.1	Very low	32.6	Very low	167 Å²	167	127.7 Å²	127.7	89%	0.893	80%	0.801	S	S	*	*			trans	-151.9	126.8	145.8	-94.3	-33.2	0	0	0	111.1
60	S	31.2	Very low	32.4	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	80%	0.795	S	S	*	*			trans	-79	138.4	179.1	46.4	0	0	0	0	112.2
61	V	36.3	Very low	32.4	Very low	145 Å²	145	129.7 Å²	129.7	88%	0.879	80%	0.796	S	S	*	*			trans	-134	104	156.9	179.6	0	0	0	0	109.2
62	T	25.6	Very low	32	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	80%	0.796	S	S	*	*			trans	-79.1	152.8	158.1	47.9	0	0	0	0	109.8
63	V	34	Very low	32	Very low	135 Å²	135	136.6 Å²	136.6	82%	0.818	80%	0.802	S	S	*	*			trans	-178.8	108.8	137.3	151.7	0	0	0	0	111
64	S	35.7	Very low	31.8	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	80%	0.798	S	S	*	*			trans	57.6	108.8	140.5	60.8	0	0	0	0	124.2
65	D	30.8	Very low	31.7	Very low	171 Å²	171	133.4 Å²	133.4	91%	0.914	80%	0.799	S	S	*	*				11.5	129.2	123.8	-58.5	-25.3	0	0	0	120.8
66	G	35.3	Very low	31.4	Very low	81 Å²	81	135 Å²	135	84%	0.835	81%	0.807	S	S	*	*			trans	-152.2	89.1	162.8	0	0	0	0	0	110.4
67	S	30.9	Very low	31.5	Very low	129 Å²	129	135.5 Å²	135.5	90%	0.902	80%	0.804	S	S	*	*			trans	-68.4	134.1	176.2	52.2	0	0	0	0	112.7
68	G	32.5	Very low	31.2	Very low	77 Å²	77	132.8 Å²	132.8	79%	0.794	80%	0.796	S	S	*	*			trans	-157	81.4	172.6	0	0	0	0	0	112
69	S	26	Very low	31.2	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	80%	0.804	S	S	*	*			trans	-66.8	145.1	166	160	0	0	0	0	110.5
70	V	32.3	Very low	31	Very low	122 Å²	122	135 Å²	135	74%	0.739	80%	0.795	S	S	*	*			trans	-179.6	120.9	133.5	149	0	0	0	0	111.7
71	H	31.7	Very low	31.1	Very low	165 Å²	165	137.1 Å²	137.1	76%	0.764	79%	0.793	S	S	*	*			trans	58.6	103.6	152.2	-77.3	-100	0	0	0	120.1
72	R	25.3	Very low	30.8	Very low	231 Å²	231	137.8 Å²	137.8	87%	0.872	79%	0.791	S	S	*	*				45.9	104.1	73.3	-84.2	-169.6	175.9	159.6	0.8	114.7
73	D	30	Very low	31	Very low	160 Å²	160	139.4 Å²	139.4	86%	0.856	79%	0.79	S	S	*	*				-154.6	117.9	126.8	-91	-31.8	0	0	0	112.5
74	S	28.2	Very low	30.7	Very low	108 Å²	108	137 Å²	137	76%	0.755	78%	0.778	S	S	*	*			trans	22.4	101.6	152.9	-61.2	0	0	0	0	121.6
75	L	30.6	Very low	30.6	Very low	163 Å²	163	139 Å²	139	85%	0.853	78%	0.78	S	S	*	*			trans	-127.7	102.3	142.7	-91.6	164.4	0	0	0	108.8
76	V	29.9	Very low	30.8	Very low	128 Å²	128	136 Å²	136	78%	0.776	77%	0.771	S	S	*	*			trans	-85.4	101.5	170.6	173.5	0	0	0	0	107.3
77	Q	32.7	Very low	30.6	Very low	151 Å²	151	137.4 Å²	137.4	71%	0.706	77%	0.766	S	S	*	*			trans	-153.2	101	161.1	-104.5	113.7	6.2	0	0	112.3
78	N	29.9	Very low	30.7	Very low	135 Å²	135	136.2 Å²	136.2	72%	0.722	76%	0.758	S	S	*	*			trans	64.3	77.4	138.7	-53.3	-18	0	0	0	118.8	I80	N78-I80 PolarHBondContact O-N 3.22Å; N78-I80 VanDerWaalsContact O-N 3.11Å
79	N	30.5	Very low	30.7	Very low	159 Å²	159	143.7 Å²	143.7	85%	0.85	76%	0.763	S	S	*	*			trans	-65.7	99.6	148.7	-82.5	-30.1	0	0	0	109.1	H81	N79-H81 VanDerWaalsContact C-N 3.35Å; N79-H81 PolarHBondContact O-N 3.32Å; N79-H81 VanDerWaalsContact O-N 3.08Å
80	I	32.7	Very low	31	Very low	137 Å²	137	147 Å²	147	70%	0.703	77%	0.77	S	S	*	*			trans	-78.1	91.7	168	-56.5	175.7	0	0	0	107.1	N78 L82	N78-I80 PolarHBondContact O-N 3.22Å; N78-I80 VanDerWaalsContact O-N 3.11Å; I80-L82 HydrophobicContact CG2-CD1 3.8Å; I80-L82 HydrophobicContact CG2-CG 4.46Å; I80-L82 PolarHBondContact O-N 3.04Å
81	H	31.4	Very low	31	Very low	149 Å²	149	145.5 Å²	145.5	69%	0.69	77%	0.771	S	S	*	*			trans	-62.1	100.7	159.8	-93.3	-102.3	0	0	0	108.1	N79 H83	N79-H81 VanDerWaalsContact C-N 3.35Å; N79-H81 PolarHBondContact O-N 3.32Å; N79-H81 VanDerWaalsContact O-N 3.08Å; H81-H83 PolarHBondContact O-N 2.96Å
82	L	30.2	Very low	31	Very low	159 Å²	159	142.9 Å²	142.9	83%	0.832	77%	0.768	S	S	*	*			trans	-71.4	85.5	162.3	-86.7	97.4	0	0	0	108.3	I80 C84	I80-L82 HydrophobicContact CG2-CD1 3.8Å; I80-L82 HydrophobicContact CG2-CG 4.46Å; I80-L82 PolarHBondContact O-N 3.04Å; L82-C84 PolarHBondContact O-N 3.24Å
83	H	31.1	Very low	31.4	Very low	154 Å²	154	141.1 Å²	141.1	71%	0.713	77%	0.769	S	S	*	*			trans	-64.3	114.6	165.1	-95	-89	0	0	0	109.2	H81 I85	H81-H83 PolarHBondContact O-N 2.96Å; H83-I85 PolarHBondContact O-N 3.43Å
84	C	27.6	Very low	31.5	Very low	86 Å²	86	138.3 Å²	138.3	58%	0.581	77%	0.768	S	S	*	*			trans	-62.2	115.2	158.7	-176.8	0	0	0	0	107.9	L82 C86	L82-C84 PolarHBondContact O-N 3.24Å; C84-C86 PolarHBondContact O-N 3.08Å
85	I	33.8	Very low	31.7	Very low	141 Å²	141	139.6 Å²	139.6	72%	0.723	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-1.1	179.5	-90.6	168.5	0	0	0	113.3	H83	H83-I85 PolarHBondContact O-N 3.43Å
86	C	33.8	Very low	31.8	Very low	109 Å²	109	138.8 Å²	138.8	74%	0.736	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-9.4	-172.5	-56.1	0	0	0	0	115.5	C84	C84-C86 PolarHBondContact O-N 3.08Å
87	C	32.5	Very low	31.7	Very low	109 Å²	109	139.3 Å²	139.3	74%	0.736	77%	0.767	S	S	*	*			trans	-129	58.3	-172.4	-66.5	0	0	0	0	113.1	R89	C87-R89 PolarHBondContact O-N 3.12Å
88	S	31.6	Very low	31.7	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	77%	0.774	S	S	*	*			trans	-87.1	76.7	169.5	-44.5	0	0	0	0	110.4
89	R	33.2	Very low	31.6	Very low	234 Å²	234	147.3 Å²	147.3	88%	0.883	78%	0.782	S	S	*	*	S	Bend	trans	154.2	89.6	158.9	-87.2	161.1	-158.7	-119.2	5.1	108.8	C87	C87-R89 PolarHBondContact O-N 3.12Å
90	L	33	Very low	31.7	Very low	182 Å²	182	145.1 Å²	145.1	95%	0.953	78%	0.776	S	S	*	*			trans	-179.1	131	145.6	-94.2	141	0	0	0	108.1
91	A	31.1	Very low	31.6	Very low	90 Å²	90	147.4 Å²	147.4	74%	0.744	78%	0.782	S	S	*	*			trans	-72.5	154.4	-166.9	0	0	0	0	0	113.6
92	P	32.1	Very low	31.5	Very low	110 Å²	110	149.1 Å²	149.1	71%	0.714	79%	0.79	S	S	*	*			trans	-99.7	124.8	-179.7	35.1	-25.2	0	0	0	111.6
93	H	33.4	Very low	31.6	Very low	194 Å²	194	150.2 Å²	150.2	90%	0.898	79%	0.79	S	S	*	*			trans	-153	150.4	156.9	-81	-66.1	0	0	0	110.9
94	A	32.8	Very low	31.6	Very low	101 Å²	101	147.7 Å²	147.7	84%	0.835	79%	0.789	S	S	*	*			trans	88.8	88	174.8	0	0	0	0	0	116.7
95	V	32.9	Very low	31.7	Very low	135 Å²	135	150.3 Å²	150.3	82%	0.818	80%	0.802	S	S	*	*			trans	-69.8	121.8	162.9	-172	0	0	0	0	108.7
96	N	31.6	Very low	31.6	Very low	146 Å²	146	147 Å²	147	78%	0.781	80%	0.796	S	S	*	*			trans	-159.5	142	139.3	-125.2	-13.2	0	0	0	111.5	Y98	N96-Y98 PolarHBondContact O-N 3.22Å
97	N	28.7	Very low	31.6	Very low	140 Å²	140	150.8 Å²	150.8	75%	0.749	80%	0.803	S	S	*	*			trans	-67.1	117.3	-165.4	-55.5	-52.4	0	0	0	112.6
98	Y	32.8	Very low	31.8	Very low	220 Å²	220	151.6 Å²	151.6	86%	0.863	80%	0.795	S	S	*	*			trans	172.4	125.3	142.3	-113.7	-93.9	0	0	0	106.6	N96 P100	N96-Y98 PolarHBondContact O-N 3.22Å; Y98-P100 WeakPolarHBondContact O-CD 3.44Å
99	W	27.9	Very low	31.7	Very low	233 Å²	233	152 Å²	152	88%	0.883	80%	0.796	S	S	*	*			trans	-56.2	124.5	-176.1	-78.1	58	0	0	0	112.3	F101	W99-F101 HydrophobicContact CE3-CE2 4.31Å; W99-F101 HydrophobicContact CZ3-CE2 4.45Å
100	P	31.5	Very low	31.8	Very low	113 Å²	113	146.5 Å²	146.5	73%	0.734	78%	0.783	S	S	*	*			trans	-118.7	112.5	166.7	29.4	-10.1	0	0	0	110.6	Y98 H102	Y98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-H102 VanDerWaalsContact C-N 3.26Å; P100-H102 PolarHBondContact O-N 3.33Å
101	F	29.9	Very low	31.9	Very low	186 Å²	186	145.2 Å²	145.2	82%	0.816	78%	0.776	S	S	*	*			trans	-72.3	85	160.4	-86.2	-83.5	0	0	0	108.8	W99	W99-F101 HydrophobicContact CE3-CE2 4.31Å; W99-F101 HydrophobicContact CZ3-CE2 4.45Å
102	H	30.3	Very low	31.9	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.856	78%	0.778	S	S	*	*			trans	-116.4	83.5	163.5	-138.2	-85.1	0	0	0	107.5	P100	P100-H102 VanDerWaalsContact C-N 3.26Å; P100-H102 PolarHBondContact O-N 3.33Å
103	H	32.4	Very low	32.2	Very low	181 Å²	181	147.9 Å²	147.9	84%	0.838	77%	0.767	S	S	*	*			trans	-89.6	114.8	175.1	-130.7	-72.5	0	0	0	110
104	C	30.4	Very low	32.2	Very low	102 Å²	102	148.2 Å²	148.2	69%	0.689	76%	0.761	S	S	*	*			trans	-41	131.7	171.6	-174.8	0	0	0	0	113.3	A106	C104-A106 PolarHBondContact O-N 3.3Å
105	T	30	Very low	32.1	Very low	140 Å²	140	150 Å²	150	86%	0.859	76%	0.761	S	S	*	*	S	Bend	trans	-68.5	89	169.7	41.9	0	0	0	0	111.1
106	A	31.6	Very low	32	Very low	73 Å²	73	148.6 Å²	148.6	60%	0.603	75%	0.75	S	S	*	*			trans	-172.8	124.7	151	0	0	0	0	0	109.9	C104	C104-A106 PolarHBondContact O-N 3.3Å
107	H	34.5	Very low	31.9	Very low	188 Å²	188	148.1 Å²	148.1	87%	0.87	75%	0.752	S	S	*	*	S	Bend	trans	77.3	116.1	169	-61.7	-84	0	0	0	119.6
108	H	35.2	Very low	31.9	Very low	126 Å²	126	149.9 Å²	149.9	58%	0.583	76%	0.755	S	S	*	*			trans	89.7	94.7	145.4	-126.8	-88.2	0	0	0	119.4
109	P	30.8	Very low	31.8	Very low	114 Å²	114	148.5 Å²	148.5	74%	0.74	76%	0.756	S	S	*	*			trans	-99.8	76.7	171.6	37.1	-26.7	0	0	0	110.8
110	L	35.6	Very low	31.7	Very low	118 Å²	118	147.1 Å²	147.1	62%	0.618	76%	0.757	S	S	*	*			trans	-146.6	5.8	170.9	-80.9	-175.3	0	0	0	116.3
111	I	33.9	Very low	31.6	Very low	155 Å²	155	149.8 Å²	149.8	80%	0.795	76%	0.759	S	S	*	*			trans	-136.2	65.1	-177.5	-48.6	178.4	0	0	0	111.3
112	T	32.3	Very low	31.7	Very low	131 Å²	131	150 Å²	150	80%	0.804	76%	0.762	S	S	*	*			trans	-150.5	83.2	161.9	42.6	0	0	0	0	107.6
113	R	36.8	Very low	31.7	Very low	125 Å²	125	148.4 Å²	148.4	47%	0.472	76%	0.755	S	S	.	*			trans	168.7	86.6	156.7	-95.2	160.7	-170.1	165.3	5.7	110.3	I520	R113-I520 PolarHBondContact NE-O 3.38Å; R113-I520 VanDerWaalsContact NH2-C 3.33Å; R113-I520 VanDerWaalsContact NH2-CG2 3.33Å; R113-I520 PolarHBondContact NH2-O 3.05Å
114	Y	33.5	Very low	31.5	Very low	200 Å²	200	149.7 Å²	149.7	78%	0.784	76%	0.759	S	S	*	*			trans	-163.8	65.1	144.9	-102.9	-74.9	0	0	0	106.7
115	V	31.7	Very low	31.5	Very low	138 Å²	138	153.3 Å²	153.3	84%	0.836	77%	0.765	S	S	*	*			trans	-112.5	77.8	156	-174	0	0	0	0	104.7
116	N	29.9	Very low	31.5	Very low	107 Å²	107	150.1 Å²	150.1	57%	0.572	76%	0.76	S	S	*	*			trans	-134.8	96.9	163.8	-108.9	-24.2	0	0	0	107.2	H118	N116-H118 PolarHBondContact O-N 3.17Å
117	V	29.2	Very low	31.3	Very low	135 Å²	135	155.3 Å²	155.3	82%	0.818	77%	0.772	S	S	*	*			trans	24.1	83.2	136	-166.2	0	0	0	0	114.6
118	H	29.5	Very low	31.3	Very low	177 Å²	177	152 Å²	152	82%	0.819	77%	0.767	S	S	*	*			trans	-157.5	58.6	160.9	-133.8	-79.5	0	0	0	112.1	N116	N116-H118 PolarHBondContact O-N 3.17Å
119	H	30.5	Very low	30.9	Very low	192 Å²	192	151 Å²	151	89%	0.889	77%	0.774	S	S	*	*			trans	-156.4	69.2	162.3	-119.7	61.3	0	0	0	111.8
120	F	26.5	Very low	31	Very low	203 Å²	203	151.1 Å²	151.1	89%	0.89	77%	0.772	S	S	*	*			trans	-132.2	134.7	154.1	-113.2	-92.6	0	0	0	106.7
121	H	28.5	Very low	30.7	Very low	170 Å²	170	151.8 Å²	151.8	79%	0.787	78%	0.782	S	S	*	*			trans	81.3	86.5	-175.9	-83	-105.7	0	0	0	118.3
122	Q	32.5	Very low	30.6	Very low	190 Å²	190	154.7 Å²	154.7	89%	0.888	78%	0.784	S	S	*	*				-145.9	101.8	128.5	-110.2	170.1	9.2	0	0	110.2
123	H	31	Very low	30.6	Very low	151 Å²	151	154.3 Å²	154.3	70%	0.699	78%	0.784	S	S	*	*			trans	36.4	98.3	149.9	-73.7	-82.5	0	0	0	119.8	H125	H123-H125 AromaticContact ND1-CD2 3.93Å; H123-H125 PolarHBondContact O-N 2.81Å
124	F	28.1	Very low	30.2	Very low	209 Å²	209	156.9 Å²	156.9	92%	0.917	80%	0.804	S	S	*	*			trans	-63.8	98.9	143.3	-87.1	-92.3	0	0	0	109.5
125	H	29.4	Very low	30.3	Very low	177 Å²	177	153 Å²	153	82%	0.819	81%	0.806	S	S	*	*			trans	-149.9	110.2	153.1	-82.7	-71.3	0	0	0	108.4	H123	H123-H125 AromaticContact ND1-CD2 3.93Å; H123-H125 PolarHBondContact O-N 2.81Å
126	G	30.7	Very low	30.1	Very low	73 Å²	73	154 Å²	154	75%	0.753	81%	0.806	S	S	*	*			trans	170.4	87.1	177.5	0	0	0	0	0	109.8
127	E	26.4	Very low	30.4	Very low	183 Å²	183	154.6 Å²	154.6	86%	0.855	82%	0.819	S	S	*	*			trans	-56.4	145.7	172.1	-64.6	-166.1	150.4	0	0	111.8
128	P	34.6	Very low	30.5	Very low	117 Å²	117	151.6 Å²	151.6	76%	0.76	82%	0.815	S	S	*	*			trans	-111.3	107.8	145.7	31.1	-19.2	0	0	0	109.1	V130	P128-V130 PolarHBondContact O-N 3.19Å
129	S	26.8	Very low	30.7	Very low	105 Å²	105	154.5 Å²	154.5	73%	0.734	82%	0.821	S	S	*	*			trans	-68.1	111.4	165.5	45.3	0	0	0	0	109.7
130	V	32.8	Very low	30.9	Very low	117 Å²	117	151.5 Å²	151.5	71%	0.709	82%	0.815	S	S	*	*			trans	-131.6	110.1	160.5	-177.4	0	0	0	0	108.3	P128 Y132	P128-V130 PolarHBondContact O-N 3.19Å; V130-Y132 HydrophobicContact CG1-CE2 4.29Å
131	T	29.5	Very low	31.3	Very low	133 Å²	133	145.5 Å²	145.5	82%	0.816	81%	0.811	S	S	*	*			trans	-70.7	135.5	178.3	40.4	0	0	0	0	111.3
132	Y	32.1	Very low	31.6	Very low	215 Å²	215	145.1 Å²	145.1	84%	0.843	81%	0.814	S	S	*	*			trans	-129	142.3	156.1	-87.3	-84.8	0	0	0	109.3	V130	V130-Y132 HydrophobicContact CG1-CE2 4.29Å
133	P	33.2	Very low	31.8	Very low	123 Å²	123	141.4 Å²	141.4	80%	0.799	81%	0.806	S	S	*	*			trans	-84.2	154.8	-160.5	33.4	-34.1	0	0	0	113.9
134	M	27.7	Very low	32.3	Very low	180 Å²	180	140.2 Å²	140.2	89%	0.887	81%	0.812	S	S	*	*			trans	-53.9	149.8	-176	-63.6	-166.3	139.3	0	0	116.4
135	S	35	Very low	32.6	Very low	118 Å²	118	135.4 Å²	135.4	83%	0.825	80%	0.804	S	S	*	*				-162.8	94.3	127.7	20.7	0	0	0	0	112.3
136	N	28	Very low	33.1	Very low	159 Å²	159	134.3 Å²	134.3	85%	0.85	81%	0.805	S	S	*	*				49.4	145.3	125.2	-119.2	4.1	0	0	0	123.9
137	S	36	Very low	33.6	Very low	120 Å²	120	135.8 Å²	135.8	84%	0.839	80%	0.801	S	S	*	*			trans	84.3	118.5	172.9	78.8	0	0	0	0	114.7
138	G	31.9	Very low	34	Very low	72 Å²	72	133.9 Å²	133.9	74%	0.742	80%	0.796	S	S	*	*			cis	129.2	89.4	11.2	0	0	0	0	0	109.1
139	Y	34.2	Very low	34.2	Very low	238 Å²	238	136.9 Å²	136.9	93%	0.933	80%	0.799	S	S	*	*			trans	-155.8	122.5	151.2	-140.8	-98.7	0	0	0	110.5
140	V	35.1	Very low	34.6	Very low	128 Å²	128	135 Å²	135	78%	0.776	80%	0.797	S	S	*	*			trans	-97.4	139.9	-175.6	170.1	0	0	0	0	108.5
141	G	34	Very low	34.8	Very low	78 Å²	78	136.8 Å²	136.8	80%	0.804	80%	0.801	S	S	*	*			trans	-171.7	89.7	169.9	0	0	0	0	0	111.8
142	L	35.1	Very low	35	Very low	162 Å²	162	142.1 Å²	142.1	85%	0.848	81%	0.807	S	S	*	*			trans	-63.6	157	176.5	-80.9	147.4	0	0	0	113.4
143	P	37.6	Very low	35.3	Very low	112 Å²	112	135.9 Å²	135.9	73%	0.727	81%	0.807	S	S	*	*			trans	-92.9	171.7	176.9	38.9	-32.7	0	0	0	112
144	P	41.1	Very low	35.1	Very low	126 Å²	126	133 Å²	133	82%	0.818	80%	0.801	S	S	*	*			trans	-125.6	139.6	153.3	33.8	-19.6	0	0	0	113.1
145	S	34.3	Very low	35.4	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	80%	0.804	S	S	*	*			trans	-69.8	169.7	169.5	-42.3	0	0	0	0	112.7
146	D	39.6	Very low	35.4	Very low	155 Å²	155	135.4 Å²	135.4	83%	0.829	80%	0.803	S	S	*	*			trans	115.1	146.3	145.4	-77.3	-4.2	0	0	0	120.1
147	P	41	Very low	35.7	Very low	103 Å²	103	136.4 Å²	136.4	67%	0.669	80%	0.8	S	S	*	*			trans	-118.7	176.8	-130.3	39	-25.8	0	0	0	113.2
148	L	34.1	Very low	35.7	Very low	143 Å²	143	137.2 Å²	137.2	75%	0.749	80%	0.795	S	S	*	*			trans	149.9	146.7	134	-81.2	175.1	0	0	0	113.3
149	Q	40.1	Very low	35.6	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	80%	0.798	S	S	*	*			trans	80.1	116.3	151	-71.5	153	25.5	0	0	119.6
150	G	34.3	Very low	35.6	Very low	66 Å²	66	130.7 Å²	130.7	68%	0.68	79%	0.791	S	S	*	*				139.9	101.5	120.6	0	0	0	0	0	117.6
151	L	37.1	Very low	35.5	Very low	154 Å²	154	131.4 Å²	131.4	81%	0.806	80%	0.795	S	S	*	*			trans	91.1	104.1	134.7	-61.2	164.6	0	0	0	120.6
152	R	34.8	Very low	35.3	Very low	246 Å²	246	137.2 Å²	137.2	93%	0.928	80%	0.798	S	S	*	*				68.4	121.5	121.7	-76.4	-173.8	-177.8	-119.3	1.8	120.4
153	G	36.6	Very low	35.2	Very low	83 Å²	83	139.5 Å²	139.5	86%	0.856	80%	0.796	S	S	*	*			trans	163	77.5	149.9	0	0	0	0	0	112.2
154	G	30.6	Very low	34.7	Very low	64 Å²	64	140.3 Å²	140.3	66%	0.66	80%	0.801	S	S	*	*			trans	-88.4	150.9	-177.8	0	0	0	0	0	114.1
155	F	33.1	Very low	34.2	Very low	219 Å²	219	141.8 Å²	141.8	96%	0.961	80%	0.801	S	S	*	*			trans	-146.6	117.2	144.5	-85.4	-78.5	0	0	0	108.4
156	T	34.1	Very low	34	Very low	129 Å²	129	144.7 Å²	144.7	79%	0.791	80%	0.803	S	S	*	*			trans	-87.2	154.9	167.6	51	0	0	0	0	108.7
157	F	34.2	Very low	33.4	Very low	180 Å²	180	144.5 Å²	144.5	79%	0.789	80%	0.799	S	S	*	*				178.8	154.8	72.5	-157.1	-121.6	0	0	0	111
158	N	37.4	Very low	32.9	Very low	137 Å²	137	147.2 Å²	147.2	73%	0.733	81%	0.805	S	S	*	*			trans	77.4	109.5	167.9	-62.6	-26.6	0	0	0	119.3
159	G	30.2	Very low	32.7	Very low	79 Å²	79	146.7 Å²	146.7	81%	0.814	81%	0.81	S	S	*	*			cis	124.4	78.9	7.4	0	0	0	0	0	112.4
160	A	33.3	Very low	32.3	Very low	94 Å²	94	142.9 Å²	142.9	78%	0.777	80%	0.803	S	S	*	*			trans	-160.1	90.9	151.4	0	0	0	0	0	108.6
161	V	32.1	Very low	32.2	Very low	142 Å²	142	147.7 Å²	147.7	86%	0.861	81%	0.812	S	S	*	*			trans	-93.3	111.5	175.1	175.4	0	0	0	0	107.8
162	F	30	Very low	32	Very low	201 Å²	201	147.8 Å²	147.8	88%	0.882	81%	0.812	S	S	*	*			trans	-77.9	129.8	166.9	-98	-89.5	0	0	0	110
163	R	32.8	Very low	31.8	Very low	210 Å²	210	142.8 Å²	142.8	79%	0.792	80%	0.804	S	S	*	*			trans	-66.4	143.3	174.9	-77	-178.4	160.5	-174.9	-5	111.2	L165	R163-L165 PolarHBondContact O-N 3.47Å
164	P	27.5	Very low	31.4	Very low	129 Å²	129	144.1 Å²	144.1	84%	0.838	80%	0.799	S	S	*	*			trans	-80.8	110.7	161.9	31.2	-25.4	0	0	0	108.3
165	L	31.1	Very low	31.4	Very low	157 Å²	157	144.6 Å²	144.6	82%	0.822	79%	0.793	S	S	*	*			trans	-101.9	119.4	164.5	-78.6	179.4	0	0	0	109.7	R163	R163-L165 PolarHBondContact O-N 3.47Å
166	Q	29.2	Very low	31.3	Very low	168 Å²	168	144.2 Å²	144.2	79%	0.785	79%	0.791	S	S	*	*			trans	-58.2	151.4	168.8	-98.2	-171.5	-25.5	0	0	112.9
167	M	27.6	Very low	31.1	Very low	150 Å²	150	146.3 Å²	146.3	74%	0.739	80%	0.797	S	S	*	*			trans	74.3	111.4	151	-70	-178.9	156.6	0	0	118.3
168	M	30.4	Very low	30.9	Very low	161 Å²	161	143.1 Å²	143.1	79%	0.793	80%	0.797	S	S	*	*				-179.5	123.9	106.4	-85.4	-62.4	158	0	0	108.9
169	P	29.7	Very low	30.6	Very low	132 Å²	132	147.5 Å²	147.5	86%	0.857	80%	0.803	S	S	*	*			trans	-88.8	111.4	166.3	31.4	-23	0	0	0	108.4
170	S	32.7	Very low	30.7	Very low	99 Å²	99	152 Å²	152	69%	0.692	81%	0.809	S	S	*	*			trans	-115.5	116.7	177.1	60	0	0	0	0	110.7
171	L	31.7	Very low	30.8	Very low	167 Å²	167	151.7 Å²	151.7	87%	0.874	81%	0.806	S	S	*	*			trans	81.8	78.6	151.7	-49.3	-179.9	0	0	0	117.1	D173	L171-D173 PolarHBondContact O-N 2.77Å
172	I	32.9	Very low	31	Very low	157 Å²	157	155.7 Å²	155.7	81%	0.805	81%	0.805	S	S	*	*			trans	-66.7	116	147.3	-63.7	164.5	0	0	0	106.6	S174	I172-S174 VanDerWaalsContact C-N 3.33Å; I172-S174 PolarHBondContact O-N 3.38Å
173	D	30.3	Very low	31.3	Very low	141 Å²	141	154.7 Å²	154.7	75%	0.754	80%	0.803	S	S	*	*			trans	-74.7	90.2	170.5	-151.5	-30.7	0	0	0	108.7	L171 S175	L171-D173 PolarHBondContact O-N 2.77Å; D173-S175 PolarHBondContact O-N 3Å; D173-S175 PolarHBondContact OD1-OG 3.49Å
174	S	27.7	Very low	31.3	Very low	110 Å²	110	148.6 Å²	148.6	77%	0.769	80%	0.797	S	S	*	*			trans	-81.8	92.7	171.2	43.1	0	0	0	0	109.2	I172	I172-S174 VanDerWaalsContact C-N 3.33Å; I172-S174 PolarHBondContact O-N 3.38Å
175	S	31.7	Very low	31.5	Very low	75 Å²	75	151.6 Å²	151.6	52%	0.524	80%	0.798	S	S	.	*			trans	-143.4	37.5	178.6	47.1	0	0	0	0	114.2	D173	D173-S175 PolarHBondContact O-N 3Å; D173-S175 PolarHBondContact OD1-OG 3.49Å
176	F	29.8	Very low	31.9	Very low	210 Å²	210	152.8 Å²	152.8	92%	0.921	80%	0.799	S	S	*	*			trans	-146	72.3	162.2	-88.6	-80.4	0	0	0	112.4
177	L	30.5	Very low	32.2	Very low	173 Å²	173	150 Å²	150	91%	0.906	80%	0.795	S	S	*	*			trans	-129.4	130.5	156.4	-82.8	174.2	0	0	0	109.3
178	S	30.2	Very low	32.7	Very low	113 Å²	113	151.5 Å²	151.5	79%	0.79	80%	0.8	S	S	*	*			trans	85.5	90.7	153.9	-135.4	0	0	0	0	117.4
179	R	31.9	Very low	33	Very low	230 Å²	230	148.1 Å²	148.1	87%	0.868	79%	0.793	S	S	*	*				173.1	105.5	117.3	-96.7	165.9	174.6	162.5	-1.3	108.8
180	D	31	Very low	33.3	Very low	174 Å²	174	152.3 Å²	152.3	93%	0.93	79%	0.792	S	S	*	*			trans	-158.3	97.2	138.9	-93.7	-31.3	0	0	0	108.3
181	A	35.9	Very low	33.4	Very low	87 Å²	87	155.1 Å²	155.1	72%	0.719	80%	0.798	S	S	*	*			trans	-138.8	113.3	169.5	0	0	0	0	0	107.8
182	R	36.7	Very low	33.7	Very low	225 Å²	225	152.1 Å²	152.1	85%	0.849	79%	0.791	S	S	*	*			trans	103.7	98.8	147	-57.9	172.9	-174.9	-162.6	0.7	118
183	H	35.3	Very low	33.7	Very low	181 Å²	181	150 Å²	150	84%	0.838	79%	0.79	S	S	*	*				57.9	111.1	114	-74	-83.2	0	0	0	119.5
184	A	32.8	Very low	34.1	Very low	81 Å²	81	148.3 Å²	148.3	67%	0.669	80%	0.796	S	S	*	*				89.1	136.8	120.2	0	0	0	0	0	120.2
185	F	33.1	Very low	34.8	Very low	192 Å²	192	149.9 Å²	149.9	84%	0.842	80%	0.801	S	S	*	*			trans	89.9	90	162	-76.6	-83.2	0	0	0	120.6
186	Q	39	Very low	35.5	Very low	183 Å²	183	151.7 Å²	151.7	86%	0.855	81%	0.811	S	S	*	*			trans	38.7	150.8	130.5	-82.4	-172.9	-5.1	0	0	124.6
187	P	35	Very low	36.3	Very low	108 Å²	108	148 Å²	148	70%	0.701	81%	0.808	S	S	*	*			trans	-104.6	163.2	-168	40.6	-30.6	0	0	0	114.3
188	Q	39.2	Very low	36.6	Very low	182 Å²	182	145 Å²	145	85%	0.85	80%	0.802	S	S	*	*				173.8	129.5	127.5	-95.7	-177.4	23.2	0	0	114.7
189	S	36.2	Very low	37.1	Very low	91 Å²	91	144.9 Å²	144.9	64%	0.636	80%	0.8	S	S	*	*			trans	45.1	125.8	141	69	0	0	0	0	122.1
190	R	36.2	Very low	37.2	Very low	220 Å²	220	141.3 Å²	141.3	83%	0.83	80%	0.799	S	S	*	*				170.2	124.5	100.3	-88.2	-175.8	-169.7	-144.4	2.4	113.1
191	L	34.1	Very low	37.5	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	79%	0.793	S	S	*	*			trans	37.9	127.7	133.6	-75.9	140.4	0	0	0	122.3
192	S	37.1	Very low	37.6	Very low	103 Å²	103	147 Å²	147	72%	0.72	80%	0.797	S	S	*	*				148.1	100.7	123.5	-65.2	0	0	0	0	110.5
193	S	34.8	Very low	37.6	Very low	113 Å²	113	140 Å²	140	79%	0.79	78%	0.783	S	S	*	*				68.2	111.6	93.2	71.5	0	0	0	0	115.7
194	A	38.1	Very low	37.7	Very low	106 Å²	106	136.7 Å²	136.7	88%	0.876	78%	0.78	S	S	*	*			trans	-178.3	132.7	135.2	0	0	0	0	0	111.6
195	T	42	Very low	38	Very low	143 Å²	143	138.3 Å²	138.3	88%	0.877	79%	0.787	S	S	*	*			trans	-85.4	169.2	-172.8	14.7	0	0	0	0	114.4
196	P	47	Very low	38.2	Very low	113 Å²	113	133.5 Å²	133.5	73%	0.734	78%	0.782	S	S	*	*			trans	-101	-173.8	-172.7	41.2	-33.8	0	0	0	113.1
197	P	45.7	Very low	38.2	Very low	132 Å²	132	136.8 Å²	136.8	86%	0.857	79%	0.787	S	S	*	*			trans	-127.7	155.3	157.8	35.6	-20.5	0	0	0	115.9
198	S	36.9	Very low	38.1	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	79%	0.789	S	S	*	*			trans	-101.4	158.8	-177.8	53.3	0	0	0	0	113.7
199	S	40.1	Very low	38.1	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	79%	0.79	S	S	*	*			trans	163.5	110	137.4	53.8	0	0	0	0	110.3
200	N	34.9	Very low	38	Very low	155 Å²	155	136.6 Å²	136.6	83%	0.829	79%	0.794	S	S	*	*				62.1	122.9	93.5	-78.1	-1.5	0	0	0	115.7
201	E	38.4	Very low	38	Very low	172 Å²	172	131.9 Å²	131.9	80%	0.804	79%	0.79	S	S	*	*				165.2	132.9	106.3	-83.9	-168.2	148.5	0	0	114.3
202	Y	36.6	Very low	38.3	Very low	208 Å²	208	129.6 Å²	129.6	82%	0.816	79%	0.787	S	S	*	*			trans	52.2	145.5	139.4	-90	-113.3	0	0	0	121.7
203	S	37.1	Very low	38.3	Very low	80 Å²	80	132.6 Å²	132.6	56%	0.559	79%	0.789	S	S	*	*			cis	179.8	151.6	-9.7	-106.8	0	0	0	0	108.9
204	S	37.4	Very low	38.6	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	79%	0.792	S	S	*	*			trans	65.8	131	148.5	-55.4	0	0	0	0	119.3
205	S	38.5	Very low	38.5	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	78%	0.781	S	S	*	*			cis	-178.8	140.5	47.9	27.3	0	0	0	0	113.6
206	A	37.6	Very low	38.2	Very low	91 Å²	91	134.2 Å²	134.2	75%	0.752	78%	0.778	S	S	*	*			trans	50.7	121.1	137.1	0	0	0	0	0	123.2
207	R	38.3	Very low	37.6	Very low	253 Å²	253	134 Å²	134	96%	0.955	78%	0.776	S	S	*	*				179.6	142.1	93.3	-94.1	178	177.8	168.1	0.1	112.4
208	A	34.6	Very low	36.8	Very low	89 Å²	89	136 Å²	136	74%	0.736	78%	0.779	S	S	*	*			trans	-100	157.9	-171	0	0	0	0	0	113.4
209	I	38.2	Very low	36.7	Very low	170 Å²	170	138.5 Å²	138.5	87%	0.872	78%	0.783	S	S	*	*			trans	-145.4	135.7	138.9	-59.1	-173.1	0	0	0	108.6
210	T	34.6	Very low	36.6	Very low	117 Å²	117	138.2 Å²	138.2	72%	0.718	78%	0.781	S	S	*	*			trans	-73.2	163.2	-173.7	51.4	0	0	0	0	112.9
211	T	36.1	Very low	37	Very low	122 Å²	122	137 Å²	137	75%	0.748	78%	0.782	S	S	*	*				-173.5	128.5	88.7	-54.1	0	0	0	0	111.9
212	S	41.2	Very low	36.9	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	78%	0.784	S	S	*	*			trans	52.6	118.1	152.9	68.2	0	0	0	0	123.9
213	Q	36.5	Very low	37	Very low	165 Å²	165	132.5 Å²	132.5	77%	0.771	78%	0.779	S	S	*	*			trans	-96	177.2	152.7	-69.1	-164.3	-12.4	0	0	111.4
214	P	41.3	Very low	37.6	Very low	129 Å²	129	135 Å²	135	84%	0.838	79%	0.793	S	S	*	*				-136.7	138.3	99.4	34.3	-19.7	0	0	0	116.6
215	V	36.3	Very low	37.8	Very low	109 Å²	109	136 Å²	136	66%	0.661	79%	0.794	S	S	*	*			trans	-23.1	141.4	159.7	-158.5	0	0	0	0	119
216	I	34.8	Very low	37.7	Very low	159 Å²	159	137.5 Å²	137.5	82%	0.815	79%	0.794	S	S	*	*				164.3	146.4	117	-81.7	176.9	0	0	0	111.7
217	P	34	Very low	38	Very low	107 Å²	107	139.2 Å²	139.2	70%	0.695	80%	0.797	S	S	*	*				-113.9	171.8	-127.6	42.6	-36.5	0	0	0	117.1
218	L	29.7	Very low	37.7	Very low	175 Å²	175	133.5 Å²	133.5	92%	0.916	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-55.2	130.6	175.4	-66.8	160.2	0	0	0	114
219	L	33.9	Very low	37.9	Very low	164 Å²	164	138 Å²	138	86%	0.859	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-98.1	128.7	161	-88.8	94.5	0	0	0	110.4
220	S	38.1	Very low	37.9	Very low	102 Å²	102	138 Å²	138	71%	0.713	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.8	149.2	165.6	-63.3	0	0	0	0	111.2
221	P	44.8	Very low	37.6	Very low	131 Å²	131	137.8 Å²	137.8	85%	0.851	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.1	138.1	178.3	31.3	-30.8	0	0	0	112.5
222	H	36.2	Very low	37.7	Very low	183 Å²	183	137.7 Å²	137.7	85%	0.847	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.5	139.4	177.3	-76.2	-102.1	0	0	0	113
223	S	37.1	Very low	37.3	Very low	101 Å²	101	144 Å²	144	71%	0.706	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-84.7	140.3	163.2	51.6	0	0	0	0	111.1
224	P	49.9	Very low	37.3	Very low	132 Å²	132	143.3 Å²	143.3	86%	0.857	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.7	145.9	174.1	26.3	-18.8	0	0	0	112.6
225	V	42.5	Very low	36.8	Very low	132 Å²	132	142.7 Å²	142.7	80%	0.8	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-96.3	135.5	-171.3	170.2	0	0	0	0	110.1
226	D	35.1	Very low	36.7	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-75.8	136.6	166.5	-68.9	-49.9	0	0	0	111.2
227	P	44.8	Very low	36.6	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.7	120.1	170	31.9	-27	0	0	0	111.4
228	V	33.1	Very low	36.7	Very low	133 Å²	133	141.2 Å²	141.2	81%	0.806	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-90.3	116.1	164.7	170.8	0	0	0	0	108.3
229	E	38.4	Very low	37.1	Very low	184 Å²	184	140 Å²	140	86%	0.86	81%	0.81	S	S	*	*			trans	-110.1	101.9	163.7	-97.9	-159.9	134.7	0	0	111.8
230	Q	37	Very low	37.1	Very low	168 Å²	168	140.2 Å²	140.2	79%	0.785	81%	0.806	S	S	*	*				37.5	123.8	129.9	-61.3	-175.7	8.4	0	0	121.3
231	S	29.5	Very low	37	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	81%	0.814	S	S	*	*			trans	-39.4	141.2	169.6	61.4	0	0	0	0	117.7
232	S	38.2	Very low	36.5	Very low	121 Å²	121	139.6 Å²	139.6	85%	0.846	81%	0.812	S	S	*	*			trans	-148.3	118.3	131.1	22.1	0	0	0	0	110.3
233	R	32.5	Very low	36.3	Very low	243 Å²	243	134.6 Å²	134.6	92%	0.917	81%	0.809	S	S	*	*			trans	-69.8	133.9	173.8	-75.6	170.5	164.6	149.3	-5.4	110.1
234	V	35.2	Very low	36	Very low	149 Å²	149	134.1 Å²	134.1	90%	0.903	81%	0.812	S	S	*	*			trans	-143.2	125	140.1	-177.6	0	0	0	0	108.7
235	S	31.3	Very low	35.2	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	81%	0.809	S	S	*	*			trans	-88.1	157.7	178.4	-61.7	0	0	0	0	112.5
236	G	34	Very low	34.6	Very low	67 Å²	67	134 Å²	134	69%	0.691	81%	0.809	S	S	*	*			trans	149.8	82.3	167.3	0	0	0	0	0	109.8
237	V	33.8	Very low	34.5	Very low	133 Å²	133	133.8 Å²	133.8	81%	0.806	81%	0.812	S	S	*	*				41.2	113	88.6	-153.7	0	0	0	0	112.8
238	I	35.2	Very low	33.9	Very low	145 Å²	145	135.5 Å²	135.5	74%	0.744	81%	0.809	S	S	*	*				161.6	124.4	114.1	-77.1	173.1	0	0	0	110.7
239	D	37.6	Very low	34	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	81%	0.813	S	S	*	*			trans	65.4	141.3	147.4	-73.1	-23.8	0	0	0	127
240	Q	34	Very low	33.6	Very low	167 Å²	167	133.6 Å²	133.6	78%	0.78	81%	0.811	S	S	*	*			trans	-80.7	170.1	177.8	-58.1	166.7	20.6	0	0	111.3
241	T	36.3	Very low	33.7	Very low	143 Å²	143	137.6 Å²	137.6	88%	0.877	82%	0.818	S	S	*	*			trans	104.6	135.6	157.3	73.2	0	0	0	0	118.5
242	G	35.6	Very low	34.1	Very low	78 Å²	78	140.9 Å²	140.9	80%	0.804	82%	0.823	S	S	*	*			trans	92.5	118.1	163.3	0	0	0	0	0	113.6
243	G	30.5	Very low	34.3	Very low	77 Å²	77	138.8 Å²	138.8	79%	0.794	82%	0.821	S	S	*	*			cis	95.2	102.2	29.2	0	0	0	0	0	110.8
244	A	31	Very low	34.7	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	82%	0.82	S	S	*	*			trans	81.3	140	150.8	0	0	0	0	0	122.3
245	T	33.6	Very low	34.8	Very low	132 Å²	132	131.3 Å²	131.3	81%	0.81	81%	0.81	S	S	*	*			trans	88.7	102.9	137.3	34.8	0	0	0	0	122.6
246	V	29.1	Very low	35.2	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	81%	0.811	S	S	*	*			trans	-7	130.2	135.8	-178.8	0	0	0	0	117.2
247	V	34.3	Very low	35.5	Very low	142 Å²	142	133.8 Å²	133.8	86%	0.861	82%	0.817	S	S	*	*			trans	-150.2	135.9	137.2	178.8	0	0	0	0	110.6
248	Q	30.8	Very low	35.6	Very low	163 Å²	163	131.1 Å²	131.1	76%	0.762	82%	0.817	S	S	*	*			trans	-68.4	162.5	179.9	-65.5	159.2	-54.8	0	0	114.6
249	S	35.6	Very low	35.6	Very low	127 Å²	127	129.6 Å²	129.6	89%	0.888	82%	0.819	S	S	*	*			trans	-152.4	105.5	145.7	-78.6	0	0	0	0	111.2
250	N	31.1	Very low	35.6	Very low	151 Å²	151	127.9 Å²	127.9	81%	0.807	82%	0.819	S	S	*	*			trans	-80.9	139.3	160.1	-85.7	-14	0	0	0	109
251	R	39	Very low	35.5	Very low	251 Å²	251	128.6 Å²	128.6	95%	0.947	82%	0.822	S	S	*	*			trans	-144.8	119.1	152.6	-119.2	177.5	-178.3	161.7	0.7	110.4
252	M	37.9	Very low	35.5	Very low	182 Å²	182	130.5 Å²	130.5	90%	0.897	82%	0.821	S	S	*	*			trans	-75.4	154	170.4	-65.5	177.2	171.5	0	0	110.5
253	G	42.4	Very low	35.5	Very low	78 Å²	78	132.4 Å²	132.4	80%	0.804	82%	0.822	S	S	*	*			trans	-166.3	106.5	169	0	0	0	0	0	110.2
254	D	39.3	Very low	35.6	Very low	167 Å²	167	132 Å²	132	89%	0.893	82%	0.817	S	S	*	*			trans	-72.2	162.6	-174.4	-58	-55.2	0	0	0	114.5
255	G	38.2	Very low	35.5	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	83%	0.827	S	S	*	*			trans	146.3	109.4	143.1	0	0	0	0	0	118.6
256	S	40.6	Very low	35.6	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	82%	0.823	S	S	*	*			trans	76.2	108.7	140.1	-50.4	0	0	0	0	118.2
257	S	38.9	Very low	35.6	Very low	117 Å²	117	138.8 Å²	138.8	82%	0.818	83%	0.83	S	S	*	*				97.4	123.2	54.4	68.9	0	0	0	0	114.1
258	G	35.6	Very low	35.7	Very low	78 Å²	78	138.7 Å²	138.7	80%	0.804	82%	0.824	S	S	*	*			trans	94.6	138.9	162.8	0	0	0	0	0	114.2
259	S	36.6	Very low	35.7	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	83%	0.826	S	S	*	*			cis	-173.6	161.6	-2.5	35.4	0	0	0	0	107.4
260	S	37.3	Very low	35.5	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	82%	0.823	S	S	*	*			trans	73.3	111.9	154.1	53.6	0	0	0	0	120.9
261	E	32	Very low	35.6	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	82%	0.817	S	S	*	*			trans	-49.4	143.1	157.6	-59.1	157	112.7	0	0	114.3
262	Q	35.8	Very low	35.4	Very low	182 Å²	182	130.9 Å²	130.9	85%	0.85	81%	0.806	S	S	*	*			trans	176.2	106.3	134	-99.6	163.8	13.5	0	0	108.5
263	S	35.1	Very low	35	Very low	118 Å²	118	129 Å²	129	83%	0.825	79%	0.793	S	S	*	*				81.3	120	104	73.6	0	0	0	0	114.3
264	G	33.4	Very low	34.7	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	80%	0.795	S	S	*	*			trans	131.5	77.9	159.6	0	0	0	0	0	114.5	S266	G264-S266 PolarHBondContact O-N 3.25Å; G264-S266 VanDerWaalsContact O-N 3.08Å
265	N	29.4	Very low	34.6	Very low	181 Å²	181	129.3 Å²	129.3	97%	0.968	78%	0.783	S	S	*	*			trans	-70.8	95.6	160	-80.2	-6.3	0	0	0	108.5
266	S	35.3	Very low	34.3	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	79%	0.794	S	S	*	*			trans	-112.8	97	162.1	51.9	0	0	0	0	108.5	G264 L268	G264-S266 PolarHBondContact O-N 3.25Å; G264-S266 VanDerWaalsContact O-N 3.08Å; S266-L268 PolarHBondContact O-N 2.98Å
267	F	29.9	Very low	34.3	Very low	212 Å²	212	133.7 Å²	133.7	93%	0.93	79%	0.79	S	S	*	*			trans	-76.2	90.6	168.3	-174.4	-95.3	0	0	0	107.4
268	L	35.3	Very low	34.3	Very low	141 Å²	141	132.5 Å²	132.5	74%	0.738	78%	0.781	S	S	*	*			trans	-129.3	121.3	166.1	-80.6	174.6	0	0	0	109.4	S266	S266-L268 PolarHBondContact O-N 2.98Å
269	E	31.5	Very low	34.6	Very low	172 Å²	172	135.3 Å²	135.3	80%	0.804	78%	0.778	S	S	*	*			trans	59	103.7	139.7	-59.8	-169.3	150.3	0	0	119
270	G	30.5	Very low	34.8	Very low	79 Å²	79	136.7 Å²	136.7	81%	0.814	78%	0.777	S	S	*	*			trans	-125.8	51.4	150.6	0	0	0	0	0	110
271	F	33.4	Very low	35.1	Very low	158 Å²	158	138.9 Å²	138.9	69%	0.693	78%	0.779	S	S	*	*			trans	-85.7	101.1	161.1	-111.4	-85.6	0	0	0	106.4	F273	F271-F273 VanDerWaalsContact C-N 3.31Å; F271-F273 HydrophobicContact CB-CD2 4.42Å; F271-F273 PolarHBondContact O-N 2.71Å
272	V	35.5	Very low	35.7	Very low	119 Å²	119	137.9 Å²	137.9	72%	0.721	78%	0.78	S	S	*	*			trans	-70.1	95.7	167.7	-175.9	0	0	0	0	106.6	L274	V272-L274 HydrophobicContact CG1-CD2 3.99Å; V272-L274 HydrophobicContact CG1-CG 4.02Å; V272-L274 PolarHBondContact O-N 3.34Å
273	F	30.1	Very low	36.3	Very low	142 Å²	142	134 Å²	134	62%	0.623	77%	0.77	S	S	*	*			trans	-71.9	102.7	158.8	-89.2	-93.1	0	0	0	106.7	F271 S275	F271-F273 VanDerWaalsContact C-N 3.31Å; F271-F273 HydrophobicContact CB-CD2 4.42Å; F271-F273 PolarHBondContact O-N 2.71Å; F273-S275 PolarHBondContact O-N 2.85Å; F273-S275 VanDerWaalsContact O-N 3.09Å
274	L	36	Very low	36.8	Very low	160 Å²	160	136.8 Å²	136.8	84%	0.838	78%	0.775	S	S	*	*			trans	-76.9	89.3	158.5	-68.3	177.3	0	0	0	106.3	V272	V272-L274 HydrophobicContact CG1-CD2 3.99Å; V272-L274 HydrophobicContact CG1-CG 4.02Å; V272-L274 PolarHBondContact O-N 3.34Å
275	S	35.8	Very low	37.7	Very low	92 Å²	92	138.8 Å²	138.8	64%	0.643	77%	0.773	S	S	*	*			trans	-66.3	137.4	166.9	-63.1	0	0	0	0	109.3	F273 S277	F273-S275 PolarHBondContact O-N 2.85Å; F273-S275 VanDerWaalsContact O-N 3.09Å; S275-S277 PolarHBondContact O-N 2.97Å; S275-S277 VanDerWaalsContact O-N 3.14Å
276	D	32.6	Very low	38.8	Very low	171 Å²	171	134.1 Å²	134.1	91%	0.914	75%	0.753	S	S	*	*			trans	-40	106.4	169.3	-145.5	-3.7	0	0	0	111.7
277	S	39.8	Very low	39.6	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	75%	0.751	S	S	*	*			trans	-141.4	107.9	160.9	62.3	0	0	0	0	108.2	S275	S275-S277 PolarHBondContact O-N 2.97Å; S275-S277 VanDerWaalsContact O-N 3.14Å
278	S	38.4	Very low	40.9	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	74%	0.739	S	S	*	*			trans	-46.5	153.8	157.1	48.9	0	0	0	0	111.5
279	D	42.7	Very low	42	Very low	137 Å²	137	130.9 Å²	130.9	73%	0.733	72%	0.724	S	S	*	*			trans	104.6	98.3	164.6	-47.1	-31.3	0	0	0	114.9
280	D	40.3	Very low	42.6	Very low	142 Å²	142	129.7 Å²	129.7	76%	0.759	71%	0.713	S	S	*	*			trans	62.6	121.8	137.6	-54.8	-42.2	0	0	0	121.3
281	D	43.3	Very low	43.8	Very low	160 Å²	160	128.7 Å²	128.7	86%	0.856	69%	0.689	S	S	*	*			trans	64.3	74.3	151.4	-59.6	-45.2	0	0	0	118.6
282	D	45.8	Very low	44.5	Very low	161 Å²	161	124 Å²	124	86%	0.861	68%	0.676	S	S	*	*			trans	-110.6	135.2	164.7	-103.1	-39.4	0	0	0	113.3
283	P	49	Very low	45.2	Very low	101 Å²	101	121.4 Å²	121.4	66%	0.656	67%	0.667	S	S	*	*			trans	-76.5	144.7	-163.7	31.2	-34.4	0	0	0	112.8	V285	P283-V285 PolarHBondContact O-N 3.42Å
284	L	45.3	Very low	46.1	Very low	176 Å²	176	119.6 Å²	119.6	92%	0.921	66%	0.663	S	S	*	*			trans	-49.9	98.3	175.7	-68.2	166.5	0	0	0	112	P286	L284-P286 WeakPolarHBondContact O-CD 3.26Å
285	V	51.1	Low	46.9	Very low	110 Å²	110	117.8 Å²	117.8	67%	0.667	65%	0.653	S	S	*	*			trans	-68	120.7	165.9	175	0	0	0	0	107.8	P283 Y287 T289	P283-V285 PolarHBondContact O-N 3.42Å; V285-Y287 PolarHBondContact O-N 2.87Å; V285-T289 WeakPolarHBondContact CG1-OG1 3.42Å
286	P	54.1	Low	47.7	Very low	83 Å²	83	120.4 Å²	120.4	54%	0.539	66%	0.655	S	S	.	*			trans	-59.4	134.7	-175.6	-23.2	32.4	0	0	0	111.9	L284 E288 T289	L284-P286 WeakPolarHBondContact O-CD 3.26Å; P286-E288 PolarHBondContact O-N 3.21Å; P286-T289 PolarHBondContact O-N 3.47Å; P286-T289 PolarHBondContact O-OG1 3.2Å
287	Y	51.6	Low	48.3	Very low	172 Å²	172	116 Å²	116	68%	0.675	64%	0.638	S	S	*	*	H	α-helix	trans	-46.2	-33.1	179.2	-177.2	-110.4	0	0	0	114	V285 T289 Y290 I291	V285-Y287 PolarHBondContact O-N 2.87Å; Y287-T289 VanDerWaalsContact C-N 3.31Å; Y287-T289 PolarHBondContact O-N 3.47Å; Y287-Y290 PolarHBondContact O-N 2.99Å; Y287-I291 HydrophobicContact CD1-CD1 3.68Å; Y287-I291 HydrophobicContact CD1-CG1 4.26Å; Y287-I291 HydrophobicContact CE1-CD1 3.12Å; Y287-I291 HydrophobicContact CE1-CG1 3.95Å; Y287-I291 HydrophobicContact CE2-CD1 4.36Å; Y287-I291 HydrophobicContact CE2-CG1 4.42Å; Y287-I291 PolarHBondContact O-N 3.38Å
288	E	57	Low	49.3	Very low	146 Å²	146	116.6 Å²	116.6	68%	0.682	64%	0.638	S	S	*	*	H	α-helix	trans	-54.3	-39.9	173.6	-69	-82.9	143.9	0	0	113.5	P286 S292	P286-E288 PolarHBondContact O-N 3.21Å; E288-S292 WeakPolarHBondContact O-CB 3.46Å; E288-S292 PolarHBondContact O-N 3.32Å; E288-S292 PolarHBondContact O-OG 3.34Å
289	T	57.7	Low	50.2	Low	71 Å²	71	115.5 Å²	115.5	44%	0.436	63%	0.628	S	S	.	*	H	α-helix	trans	-76.2	-34.1	-179.5	56.7	0	0	0	0	112.3	V285 P286 Y287 S292 A293	V285-T289 WeakPolarHBondContact CG1-OG1 3.42Å; P286-T289 PolarHBondContact O-N 3.47Å; P286-T289 PolarHBondContact O-OG1 3.2Å; Y287-T289 VanDerWaalsContact C-N 3.31Å; Y287-T289 PolarHBondContact O-N 3.47Å; T289-S292 PolarHBondContact O-N 2.99Å; T289-A293 PolarHBondContact O-N 2.93Å
290	Y	45.6	Very low	51.1	Low	146 Å²	146	112.1 Å²	112.1	57%	0.573	61%	0.614	S	S	*	*	H	α-helix	trans	-68.1	-42.6	173.9	-178.6	-103.5	0	0	0	111.8	Y287 S292 A293 L294	Y287-Y290 PolarHBondContact O-N 2.99Å; Y290-S292 VanDerWaalsContact C-N 3.33Å; Y290-S292 PolarHBondContact O-N 3.13Å; Y290-A293 PolarHBondContact O-N 2.68Å; Y290-L294 HydrophobicContact CD1-CD1 3.78Å; Y290-L294 HydrophobicContact CE1-CD1 3.27Å; Y290-L294 HydrophobicContact CE1-CG 4.2Å; Y290-L294 PolarHBondContact O-N 3.4Å
291	I	54.3	Low	52.4	Low	58 Å²	58	111 Å²	111	30%	0.297	61%	0.607	S	S	.	*	H	α-helix	trans	-61.3	-43.9	172.3	-73.3	-171.1	0	0	0	110.6	Y287 A293 L294 I295	Y287-I291 HydrophobicContact CD1-CD1 3.68Å; Y287-I291 HydrophobicContact CD1-CG1 4.26Å; Y287-I291 HydrophobicContact CE1-CD1 3.12Å; Y287-I291 HydrophobicContact CE1-CG1 3.95Å; Y287-I291 HydrophobicContact CE2-CD1 4.36Å; Y287-I291 HydrophobicContact CE2-CG1 4.42Å; Y287-I291 PolarHBondContact O-N 3.38Å; I291-A293 VanDerWaalsContact C-N 3.3Å; I291-A293 PolarHBondContact O-N 3.44Å; I291-L294 PolarHBondContact O-N 3Å; I291-I295 HydrophobicContact CG2-CD1 3.49Å; I291-I295 VanDerWaalsContact CG2-CD1 3.49Å; I291-I295 HydrophobicContact CG2-CG1 4.19Å; I291-I295 VanDerWaalsContact O-CG1 3.26Å; I291-I295 WeakPolarHBondContact O-CG1 3.43Å; I291-I295 PolarHBondContact O-N 3.4Å
292	S	48.6	Very low	53.6	Low	60 Å²	60	111 Å²	111	42%	0.42	60%	0.595	S	S	.	*	H	α-helix	trans	-60.8	-40.3	178.4	-61.7	0	0	0	0	111.9	E288 T289 Y290 I295 H296	E288-S292 WeakPolarHBondContact O-CB 3.46Å; E288-S292 PolarHBondContact O-N 3.32Å; E288-S292 PolarHBondContact O-OG 3.34Å; T289-S292 PolarHBondContact O-N 2.99Å; Y290-S292 VanDerWaalsContact C-N 3.33Å; Y290-S292 PolarHBondContact O-N 3.13Å; S292-I295 PolarHBondContact O-N 2.83Å; S292-H296 PolarHBondContact O-N 3.32Å; S292-H296 PolarHBondContact O-ND1 3.1Å
293	A	49.3	Very low	54.5	Low	64 Å²	64	107.5 Å²	107.5	53%	0.529	57%	0.573	S	S	.	*	H	α-helix	trans	-67.8	-36.6	175.9	0	0	0	0	0	113.1	T289 Y290 I291 H296 S297	T289-A293 PolarHBondContact O-N 2.93Å; Y290-A293 PolarHBondContact O-N 2.68Å; I291-A293 VanDerWaalsContact C-N 3.3Å; I291-A293 PolarHBondContact O-N 3.44Å; A293-H296 PolarHBondContact O-N 3.46Å; A293-S297 PolarHBondContact O-N 3.42Å
294	L	48.8	Very low	55.6	Low	104 Å²	104	106.6 Å²	106.6	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-69.8	-36.8	175.1	-78	172.3	0	0	0	112.9	Y290 I291 H296	Y290-L294 HydrophobicContact CD1-CD1 3.78Å; Y290-L294 HydrophobicContact CE1-CD1 3.27Å; Y290-L294 HydrophobicContact CE1-CG 4.2Å; Y290-L294 PolarHBondContact O-N 3.4Å; I291-L294 PolarHBondContact O-N 3Å; L294-H296 VanDerWaalsContact C-N 3.29Å; L294-H296 PolarHBondContact O-N 3.48Å
295	I	53.2	Low	56.6	Low	123 Å²	123	106.1 Å²	106.1	63%	0.631	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-29.2	177.2	-67.2	170	0	0	0	111.4	I291 S292	I291-I295 HydrophobicContact CG2-CD1 3.49Å; I291-I295 VanDerWaalsContact CG2-CD1 3.49Å; I291-I295 HydrophobicContact CG2-CG1 4.19Å; I291-I295 VanDerWaalsContact O-CG1 3.26Å; I291-I295 WeakPolarHBondContact O-CG1 3.43Å; I291-I295 PolarHBondContact O-N 3.4Å; S292-I295 PolarHBondContact O-N 2.83Å
296	H	54.2	Low	57.3	Low	147 Å²	147	104.9 Å²	104.9	68%	0.681	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	6.5	-175.9	-66	68.7	0	0	0	114.1	S292 A293 L294 P298	S292-H296 PolarHBondContact O-N 3.32Å; S292-H296 PolarHBondContact O-ND1 3.1Å; A293-H296 PolarHBondContact O-N 3.46Å; L294-H296 VanDerWaalsContact C-N 3.29Å; L294-H296 PolarHBondContact O-N 3.48Å; H296-P298 WeakPolarHBondContact O-CD 3.4Å
297	S	44.1	Very low	57.8	Low	79 Å²	79	104.9 Å²	104.9	55%	0.552	53%	0.528	S	S	*	.	S	Bend	trans	-67.4	120.7	175	-176	0	0	0	0	110.3	A293 V299	A293-S297 PolarHBondContact O-N 3.42Å; S297-V299 PolarHBondContact O-N 3.44Å; S297-V299 VanDerWaalsContact O-N 3.13Å
298	P	60.9	Low	58.7	Low	117 Å²	117	101.3 Å²	101.3	76%	0.76	52%	0.518	S	S	*	.			trans	-66	115.6	-176.4	24.3	-31.2	0	0	0	110.8	H296	H296-P298 WeakPolarHBondContact O-CD 3.4Å
299	V	57	Low	59.3	Low	69 Å²	69	96.5 Å²	96.5	42%	0.418	51%	0.507	S	S	.	.			trans	-58.9	129.3	174.9	177.6	0	0	0	0	109.6	S297 L301 Q303	S297-V299 PolarHBondContact O-N 3.44Å; S297-V299 VanDerWaalsContact O-N 3.13Å; V299-L301 PolarHBondContact O-N 2.84Å; V299-Q303 HydrophobicContact CG1-CB 3.69Å; V299-Q303 HydrophobicContact CG1-CG 3.69Å
300	P	62.9	Low	59.2	Low	66 Å²	66	98.2 Å²	98.2	43%	0.429	51%	0.51	S	S	.	.			trans	-53.7	136.6	176.5	-27	34.1	0	0	0	112.3	W302 Q303 Q304	P300-W302 PolarHBondContact O-N 3.26Å; P300-Q303 WeakPolarHBondContact O-CA 3.49Å; P300-Q303 WeakPolarHBondContact O-CB 3.42Å; P300-Q303 PolarHBondContact O-N 2.89Å; P300-Q304 PolarHBondContact O-N 3.34Å
301	L	66.1	Low	60.4	Low	117 Å²	117	97.6 Å²	97.6	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-54.2	-24.1	-174.5	-69.5	175.6	0	0	0	115.2	V299 R305	V299-L301 PolarHBondContact O-N 2.84Å; L301-R305 WeakPolarHBondContact O-CB 3.31Å; L301-R305 WeakPolarHBondContact O-CG 3.48Å; L301-R305 PolarHBondContact O-N 3.42Å; L301-R305 VanDerWaalsContact O-N 3.11Å; L301-R305 PolarHBondContact O-NE 2.97Å
302	W	69.1	Low	61.2	Low	162 Å²	162	96.3 Å²	96.3	61%	0.614	51%	0.514	S	S	*	.	H	α-helix	trans	-76	-38.7	175.3	74.6	-93.2	0	0	0	111.7	P300 R305 Q306	P300-W302 PolarHBondContact O-N 3.26Å; W302-R305 PolarHBondContact O-N 3.13Å; W302-Q306 VanDerWaalsContact CZ3-OE1 3.3Å; W302-Q306 WeakPolarHBondContact O-CB 3.33Å; W302-Q306 PolarHBondContact O-N 3.12Å
303	Q	65.4	Low	61.9	Low	86 Å²	86	96.7 Å²	96.7	40%	0.402	51%	0.509	S	S	.	.	H	α-helix	trans	-69.8	-38	175.4	-175.5	176.9	4.9	0	0	110.1	V299 P300 Q306 L307	V299-Q303 HydrophobicContact CG1-CB 3.69Å; V299-Q303 HydrophobicContact CG1-CG 3.69Å; P300-Q303 WeakPolarHBondContact O-CA 3.49Å; P300-Q303 WeakPolarHBondContact O-CB 3.42Å; P300-Q303 PolarHBondContact O-N 2.89Å; Q303-Q306 PolarHBondContact O-N 3.09Å; Q303-L307 HydrophobicContact CG-CD1 4.44Å; Q303-L307 WeakPolarHBondContact O-CG 3.35Å; Q303-L307 PolarHBondContact O-N 3.43Å
304	Q	70.7	Confident	62.7	Low	82 Å²	82	98 Å²	98	38%	0.383	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-48.7	170.7	-173.8	177.3	-7.9	0	0	111.6	P300 Q306 L307 E308	P300-Q304 PolarHBondContact O-N 3.34Å; Q304-Q306 VanDerWaalsContact C-N 3.27Å; Q304-Q306 PolarHBondContact O-N 3.29Å; Q304-L307 PolarHBondContact O-N 3.25Å; Q304-E308 HydrophobicContact CG-CG 4.47Å; Q304-E308 PolarHBondContact NE2-OE1 3.11Å; Q304-E308 VanDerWaalsContact NE2-OE1 3.11Å; Q304-E308 WeakPolarHBondContact O-CB 3.45Å; Q304-E308 WeakPolarHBondContact O-CG 3.44Å; Q304-E308 PolarHBondContact O-N 3.24Å
305	R	67	Low	63.7	Low	166 Å²	166	97.5 Å²	97.5	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-61.9	-33.3	176.4	-83	-176.7	-85.7	-139.3	1	113.4	L301 W302 G309	L301-R305 WeakPolarHBondContact O-CB 3.31Å; L301-R305 WeakPolarHBondContact O-CG 3.48Å; L301-R305 PolarHBondContact O-N 3.42Å; L301-R305 VanDerWaalsContact O-N 3.11Å; L301-R305 PolarHBondContact O-NE 2.97Å; W302-R305 PolarHBondContact O-N 3.13Å; R305-G309 PolarHBondContact O-N 2.81Å
306	Q	65.6	Low	64.4	Low	84 Å²	84	97.6 Å²	97.6	39%	0.393	49%	0.494	S	S	.	.	H	α-helix	trans	-69.4	-44.6	174.7	-177.7	173.2	-24.9	0	0	111.6	W302 Q303 Q304 G309 Q310	W302-Q306 VanDerWaalsContact CZ3-OE1 3.3Å; W302-Q306 WeakPolarHBondContact O-CB 3.33Å; W302-Q306 PolarHBondContact O-N 3.12Å; Q303-Q306 PolarHBondContact O-N 3.09Å; Q304-Q306 VanDerWaalsContact C-N 3.27Å; Q304-Q306 PolarHBondContact O-N 3.29Å; Q306-G309 PolarHBondContact O-N 3.24Å; Q306-Q310 WeakPolarHBondContact O-CG 3.23Å; Q306-Q310 PolarHBondContact O-N 3.14Å
307	L	65.3	Low	64.9	Low	83 Å²	83	96.2 Å²	96.2	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-62.5	-42.7	174.7	-71.3	169.9	0	0	0	111.5	Q303 Q304 G309 Q310 Q311	Q303-L307 HydrophobicContact CG-CD1 4.44Å; Q303-L307 WeakPolarHBondContact O-CG 3.35Å; Q303-L307 PolarHBondContact O-N 3.43Å; Q304-L307 PolarHBondContact O-N 3.25Å; L307-G309 VanDerWaalsContact C-N 3.33Å; L307-G309 PolarHBondContact O-N 3.04Å; L307-Q310 PolarHBondContact O-N 2.94Å; L307-Q311 WeakPolarHBondContact O-CB 3.44Å; L307-Q311 WeakPolarHBondContact O-CG 3.35Å; L307-Q311 PolarHBondContact O-N 3.48Å
308	E	69.9	Low	66.1	Low	98 Å²	98	99.8 Å²	99.8	46%	0.458	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-39.8	173	-73.7	172.3	-178	0	0	111.6	Q304 Q311 G312	Q304-E308 HydrophobicContact CG-CG 4.47Å; Q304-E308 PolarHBondContact NE2-OE1 3.11Å; Q304-E308 VanDerWaalsContact NE2-OE1 3.11Å; Q304-E308 WeakPolarHBondContact O-CB 3.45Å; Q304-E308 WeakPolarHBondContact O-CG 3.44Å; Q304-E308 PolarHBondContact O-N 3.24Å; E308-Q311 PolarHBondContact O-N 2.93Å; E308-G312 PolarHBondContact O-N 3.42Å
309	G	70.4	Confident	66.6	Low	44 Å²	44	101.8 Å²	101.8	45%	0.454	48%	0.476	S	S	.	.	H	α-helix	trans	-62.1	-41.1	173.5	0	0	0	0	0	112.7	R305 Q306 L307 H313	R305-G309 PolarHBondContact O-N 2.81Å; Q306-G309 PolarHBondContact O-N 3.24Å; L307-G309 VanDerWaalsContact C-N 3.33Å; L307-G309 PolarHBondContact O-N 3.04Å; G309-H313 WeakPolarHBondContact O-CB 3.48Å; G309-H313 PolarHBondContact O-N 2.78Å; G309-H313 VanDerWaalsContact O-N 3.14Å
310	Q	54.4	Low	67	Low	107 Å²	107	102.6 Å²	102.6	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-68.3	-44	174.4	-72.7	-177.1	-0.5	0	0	111.7	Q306 L307 H313 L314	Q306-Q310 WeakPolarHBondContact O-CG 3.23Å; Q306-Q310 PolarHBondContact O-N 3.14Å; L307-Q310 PolarHBondContact O-N 2.94Å; Q310-H313 WeakPolarHBondContact O-CB 3.48Å; Q310-H313 PolarHBondContact O-N 2.93Å; Q310-L314 WeakPolarHBondContact O-CG 3.42Å; Q310-L314 PolarHBondContact O-N 3.32Å
311	Q	71.8	Confident	67.1	Low	133 Å²	133	103.1 Å²	103.1	62%	0.621	48%	0.478	S	S	*	.	H	α-helix	trans	-61.4	-46	175.7	-78.4	-175.2	-9.2	0	0	111.8	L307 E308 H313 L314 E315	L307-Q311 WeakPolarHBondContact O-CB 3.44Å; L307-Q311 WeakPolarHBondContact O-CG 3.35Å; L307-Q311 PolarHBondContact O-N 3.48Å; E308-Q311 PolarHBondContact O-N 2.93Å; Q311-H313 PolarHBondContact O-N 3.41Å; Q311-L314 PolarHBondContact O-N 3.17Å; Q311-E315 VanDerWaalsContact O-CB 3.31Å; Q311-E315 WeakPolarHBondContact O-CB 3.21Å; Q311-E315 PolarHBondContact O-N 3.46Å
312	G	71.5	Confident	67.3	Low	32 Å²	32	100.2 Å²	100.2	33%	0.33	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-26.2	176.7	0	0	0	0	0	113.2	E308 R316	E308-G312 PolarHBondContact O-N 3.42Å; G312-R316 WeakPolarHBondContact O-CG 3.49Å; G312-R316 PolarHBondContact O-N 3.1Å; G312-R316 PolarHBondContact O-NE 3.17Å
313	H	62.6	Low	67.3	Low	67 Å²	67	98.3 Å²	98.3	31%	0.31	47%	0.465	S	S	.	.	H	α-helix	trans	-76	-47.7	171.2	-172.2	86.8	0	0	0	112	G309 Q310 Q311 E315 R316 R317 T486	G309-H313 WeakPolarHBondContact O-CB 3.48Å; G309-H313 PolarHBondContact O-N 2.78Å; G309-H313 VanDerWaalsContact O-N 3.14Å; Q310-H313 WeakPolarHBondContact O-CB 3.48Å; Q310-H313 PolarHBondContact O-N 2.93Å; Q311-H313 PolarHBondContact O-N 3.41Å; H313-E315 VanDerWaalsContact C-N 3.28Å; H313-E315 PolarHBondContact O-N 2.97Å; H313-R316 WeakPolarHBondContact O-CB 3.43Å; H313-R316 PolarHBondContact O-N 3Å; H313-R317 PolarHBondContact O-N 3.41Å; H313-T486 WeakPolarHBondContact NE2-CG2 3.26Å
314	L	65.5	Low	67.2	Low	91 Å²	91	100.3 Å²	100.3	48%	0.476	47%	0.469	S	S	.	.	H	α-helix	trans	-59.6	-38.1	175.9	-73.6	169.6	0	0	0	112.2	Q310 Q311 R317 R318	Q310-L314 WeakPolarHBondContact O-CG 3.42Å; Q310-L314 PolarHBondContact O-N 3.32Å; Q311-L314 PolarHBondContact O-N 3.17Å; L314-R317 WeakPolarHBondContact O-CB 3.47Å; L314-R317 PolarHBondContact O-N 3.24Å; L314-R318 PolarHBondContact O-N 2.84Å
315	E	71	Confident	67.1	Low	94 Å²	94	102 Å²	102	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-68.9	-38.2	177.4	-167.5	55.9	-149.3	0	0	112	Q311 H313 R317 R318 R319	Q311-E315 VanDerWaalsContact O-CB 3.31Å; Q311-E315 WeakPolarHBondContact O-CB 3.21Å; Q311-E315 PolarHBondContact O-N 3.46Å; H313-E315 VanDerWaalsContact C-N 3.28Å; H313-E315 PolarHBondContact O-N 2.97Å; E315-R317 VanDerWaalsContact C-N 3.33Å; E315-R318 PolarHBondContact O-N 3.39Å; E315-R318 IonicContact OE2-CZ 3.15Å; E315-R318 IonicContact OE2-NE 3.85Å; E315-R318 PolarHBondContact OE2-NE 3.15Å; E315-R318 IonicContact OE2-NH2 2.83Å; E315-R318 PolarHBondContact OE2-NH2 2.94Å; E315-R319 WeakPolarHBondContact O-CB 3.19Å; E315-R319 PolarHBondContact O-N 3.18Å
316	R	66.3	Low	67.2	Low	125 Å²	125	98.3 Å²	98.3	47%	0.472	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-41.2	170.7	-82.2	-178.8	-74.4	-151.7	-0.1	111.6	G312 H313 R319 V320	G312-R316 WeakPolarHBondContact O-CG 3.49Å; G312-R316 PolarHBondContact O-N 3.1Å; G312-R316 PolarHBondContact O-NE 3.17Å; H313-R316 WeakPolarHBondContact O-CB 3.43Å; H313-R316 PolarHBondContact O-N 3Å; R316-R319 PolarHBondContact O-N 3.35Å; R316-V320 WeakPolarHBondContact O-CG2 3.42Å; R316-V320 PolarHBondContact O-N 3.14Å
317	R	64.8	Low	67	Low	119 Å²	119	98.5 Å²	98.5	45%	0.449	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-49.7	175.6	-177.7	176.6	168.4	174.9	-2.2	111.4	H313 L314 E315 R319 V320 E321	H313-R317 PolarHBondContact O-N 3.41Å; L314-R317 WeakPolarHBondContact O-CB 3.47Å; L314-R317 PolarHBondContact O-N 3.24Å; E315-R317 VanDerWaalsContact C-N 3.33Å; R317-R319 VanDerWaalsContact C-N 3.28Å; R317-R319 PolarHBondContact O-N 3.37Å; R317-V320 PolarHBondContact O-N 3.04Å; R317-V320 VanDerWaalsContact O-N 3.14Å; R317-E321 HydrophobicContact CG-CG 4.43Å; R317-E321 IonicContact CZ-OE1 2.84Å; R317-E321 IonicContact NE-OE1 3.26Å; R317-E321 PolarHBondContact NE-OE1 3.18Å; R317-E321 IonicContact NH2-OE1 3.44Å; R317-E321 PolarHBondContact NH2-OE1 3.28Å; R317-E321 WeakPolarHBondContact O-CG 3.46Å; R317-E321 PolarHBondContact O-N 3.14Å
318	R	70	Confident	67	Low	153 Å²	153	100.8 Å²	100.8	58%	0.577	47%	0.468	S	S	*	.	H	α-helix	trans	-57.5	-39.4	174.2	-84.4	-166.5	-69.1	-146.3	-1.5	112.3	L314 E315 E321 S322	L314-R318 PolarHBondContact O-N 2.84Å; E315-R318 PolarHBondContact O-N 3.39Å; E315-R318 IonicContact OE2-CZ 3.15Å; E315-R318 IonicContact OE2-NE 3.85Å; E315-R318 PolarHBondContact OE2-NE 3.15Å; E315-R318 IonicContact OE2-NH2 2.83Å; E315-R318 PolarHBondContact OE2-NH2 2.94Å; R318-E321 PolarHBondContact O-N 3.32Å; R318-S322 VanDerWaalsContact O-CB 3.23Å; R318-S322 WeakPolarHBondContact O-CB 3.45Å; R318-S322 PolarHBondContact O-N 3.32Å; R318-S322 PolarHBondContact O-OG 3.46Å; R318-S322 VanDerWaalsContact O-OG 3.12Å
319	R	72.4	Confident	66.9	Low	159 Å²	159	102.9 Å²	102.9	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-61.2	-47.9	175.6	-173.9	-179.4	-71.2	176.5	-3.1	111.4	E315 R316 R317 S322 Q323	E315-R319 WeakPolarHBondContact O-CB 3.19Å; E315-R319 PolarHBondContact O-N 3.18Å; R316-R319 PolarHBondContact O-N 3.35Å; R317-R319 VanDerWaalsContact C-N 3.28Å; R317-R319 PolarHBondContact O-N 3.37Å; R319-S322 WeakPolarHBondContact CA-OG 3.46Å; R319-S322 PolarHBondContact O-N 2.82Å; R319-S322 PolarHBondContact O-OG 2.93Å; R319-Q323 WeakPolarHBondContact O-CB 3.48Å; R319-Q323 WeakPolarHBondContact O-CG 3.43Å; R319-Q323 PolarHBondContact O-N 2.84Å
320	V	64.4	Low	66.6	Low	86 Å²	86	105.4 Å²	105.4	52%	0.521	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-44.8	178.4	175.3	0	0	0	0	111.2	R316 R317 Q323 W324	R316-V320 WeakPolarHBondContact O-CG2 3.42Å; R316-V320 PolarHBondContact O-N 3.14Å; R317-V320 PolarHBondContact O-N 3.04Å; R317-V320 VanDerWaalsContact O-N 3.14Å; V320-Q323 PolarHBondContact O-N 2.87Å; V320-W324 PolarHBondContact O-N 2.79Å
321	E	64.1	Low	66.5	Low	78 Å²	78	104.8 Å²	104.8	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-44	176.4	-73.1	172.9	177.8	0	0	111.4	R317 R318 Q323 W324 F325	R317-E321 HydrophobicContact CG-CG 4.43Å; R317-E321 IonicContact CZ-OE1 2.84Å; R317-E321 IonicContact NE-OE1 3.26Å; R317-E321 PolarHBondContact NE-OE1 3.18Å; R317-E321 IonicContact NH2-OE1 3.44Å; R317-E321 PolarHBondContact NH2-OE1 3.28Å; R317-E321 WeakPolarHBondContact O-CG 3.46Å; R317-E321 PolarHBondContact O-N 3.14Å; R318-E321 PolarHBondContact O-N 3.32Å; E321-Q323 PolarHBondContact O-N 3.26Å; E321-W324 WeakPolarHBondContact O-CB 3.4Å; E321-W324 PolarHBondContact O-N 3.45Å; E321-F325 WeakPolarHBondContact O-CD2 3.42Å; E321-F325 PolarHBondContact O-N 2.89Å
322	S	71.1	Confident	66.1	Low	55 Å²	55	104.4 Å²	104.4	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-38.9	176.4	70.5	0	0	0	0	112.7	R318 R319 W324 F325 N326	R318-S322 VanDerWaalsContact O-CB 3.23Å; R318-S322 WeakPolarHBondContact O-CB 3.45Å; R318-S322 PolarHBondContact O-N 3.32Å; R318-S322 PolarHBondContact O-OG 3.46Å; R318-S322 VanDerWaalsContact O-OG 3.12Å; R319-S322 WeakPolarHBondContact CA-OG 3.46Å; R319-S322 PolarHBondContact O-N 2.82Å; R319-S322 PolarHBondContact O-OG 2.93Å; S322-W324 VanDerWaalsContact C-N 3.29Å; S322-W324 PolarHBondContact O-N 2.91Å; S322-F325 PolarHBondContact O-N 2.9Å; S322-N326 WeakPolarHBondContact O-CB 3.46Å; S322-N326 PolarHBondContact O-N 2.93Å; S322-N326 PolarHBondContact O-ND2 3.11Å
323	Q	69.5	Low	65.3	Low	122 Å²	122	104.8 Å²	104.8	57%	0.57	48%	0.479	S	S	*	.	H	α-helix	trans	-63.4	-38.6	173.7	-77.8	-178.2	-18.7	0	0	111.1	R319 V320 E321 Y327	R319-Q323 WeakPolarHBondContact O-CB 3.48Å; R319-Q323 WeakPolarHBondContact O-CG 3.43Å; R319-Q323 PolarHBondContact O-N 2.84Å; V320-Q323 PolarHBondContact O-N 2.87Å; E321-Q323 PolarHBondContact O-N 3.26Å; Q323-Y327 VanDerWaalsContact O-CB 3.26Å; Q323-Y327 WeakPolarHBondContact O-CB 3.34Å; Q323-Y327 PolarHBondContact O-N 2.95Å
324	W	64	Low	64.7	Low	129 Å²	129	106.9 Å²	106.9	49%	0.489	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-42.9	175.2	-176.1	85.3	0	0	0	112.4	V320 E321 S322 Y327 R328	V320-W324 PolarHBondContact O-N 2.79Å; E321-W324 WeakPolarHBondContact O-CB 3.4Å; E321-W324 PolarHBondContact O-N 3.45Å; S322-W324 VanDerWaalsContact C-N 3.29Å; S322-W324 PolarHBondContact O-N 2.91Å; W324-Y327 PolarHBondContact O-N 3.22Å; W324-R328 WeakPolarHBondContact O-CB 3.41Å; W324-R328 PolarHBondContact O-N 2.82Å
325	F	66.9	Low	64.2	Low	118 Å²	118	108.3 Å²	108.3	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-64.3	-45.3	174.8	-81.2	-70.5	0	0	0	112.4	E321 S322 Y327 R328 E329	E321-F325 WeakPolarHBondContact O-CD2 3.42Å; E321-F325 PolarHBondContact O-N 2.89Å; S322-F325 PolarHBondContact O-N 2.9Å; F325-Y327 VanDerWaalsContact C-N 3.31Å; F325-Y327 PolarHBondContact O-N 2.89Å; F325-R328 WeakPolarHBondContact O-CB 3.06Å; F325-R328 PolarHBondContact O-N 3.19Å; F325-R328 VanDerWaalsContact O-N 3.15Å; F325-E329 PolarHBondContact O-N 2.89Å
326	N	69.7	Low	63.3	Low	87 Å²	87	106.9 Å²	106.9	47%	0.465	53%	0.534	S	S	.	.	H	α-helix	trans	-60.8	-41.2	175.8	-71.1	-17.2	0	0	0	111.8	S322 R328 E329 Q330	S322-N326 WeakPolarHBondContact O-CB 3.46Å; S322-N326 PolarHBondContact O-N 2.93Å; S322-N326 PolarHBondContact O-ND2 3.11Å; N326-R328 VanDerWaalsContact C-N 3.34Å; N326-E329 PolarHBondContact O-N 3.37Å; N326-Q330 WeakPolarHBondContact O-CB 3.48Å; N326-Q330 WeakPolarHBondContact O-CG 3.46Å; N326-Q330 PolarHBondContact O-N 3.27Å
327	Y	62.2	Low	62.3	Low	89 Å²	89	109.3 Å²	109.3	35%	0.349	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175.3	179.6	-99.9	0	0	0	111.5	Q323 W324 F325 Q330 M331	Q323-Y327 VanDerWaalsContact O-CB 3.26Å; Q323-Y327 WeakPolarHBondContact O-CB 3.34Å; Q323-Y327 PolarHBondContact O-N 2.95Å; W324-Y327 PolarHBondContact O-N 3.22Å; F325-Y327 VanDerWaalsContact C-N 3.31Å; F325-Y327 PolarHBondContact O-N 2.89Å; Y327-Q330 PolarHBondContact O-N 2.79Å; Y327-M331 HydrophobicContact CD1-CG 4.36Å; Y327-M331 HydrophobicContact CE1-CG 4.01Å; Y327-M331 HydrophobicContact CE2-CG 4.37Å; Y327-M331 WeakPolarHBondContact O-CG 3.42Å; Y327-M331 PolarHBondContact O-N 3.48Å; Y327-M331 VanDerWaalsContact O-N 3.1Å
328	R	64.2	Low	61.4	Low	130 Å²	130	109.3 Å²	109.3	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-63.8	-45.7	176.5	-173.3	178.1	-179.1	173.9	1.1	112.2	W324 F325 N326 Q330 M331 D332	W324-R328 WeakPolarHBondContact O-CB 3.41Å; W324-R328 PolarHBondContact O-N 2.82Å; F325-R328 WeakPolarHBondContact O-CB 3.06Å; F325-R328 PolarHBondContact O-N 3.19Å; F325-R328 VanDerWaalsContact O-N 3.15Å; N326-R328 VanDerWaalsContact C-N 3.34Å; R328-Q330 VanDerWaalsContact C-N 3.33Å; R328-Q330 PolarHBondContact O-N 2.86Å; R328-M331 PolarHBondContact O-N 3.23Å; R328-D332 PolarHBondContact O-N 3.23Å
329	E	68.7	Low	60.3	Low	143 Å²	143	106.7 Å²	106.7	67%	0.668	56%	0.56	S	S	*	*	H	α-helix	trans	-62.9	-37.6	176	-76.2	-169.2	158.6	0	0	112.5	F325 N326 M331 D332 A333	F325-E329 PolarHBondContact O-N 2.89Å; N326-E329 PolarHBondContact O-N 3.37Å; E329-M331 VanDerWaalsContact C-N 3.3Å; E329-M331 PolarHBondContact O-N 2.88Å; E329-D332 PolarHBondContact O-N 3.32Å; E329-A333 PolarHBondContact O-N 3.02Å; E329-A333 VanDerWaalsContact O-N 3.1Å
330	Q	63.1	Low	58.9	Low	97 Å²	97	103.1 Å²	103.1	45%	0.453	56%	0.558	S	S	.	*	H	α-helix	trans	-66	-31.3	174.6	-76.3	177.2	12.8	0	0	113	N326 Y327 R328 A333	N326-Q330 WeakPolarHBondContact O-CB 3.48Å; N326-Q330 WeakPolarHBondContact O-CG 3.46Å; N326-Q330 PolarHBondContact O-N 3.27Å; Y327-Q330 PolarHBondContact O-N 2.79Å; R328-Q330 VanDerWaalsContact C-N 3.33Å; R328-Q330 PolarHBondContact O-N 2.86Å; Q330-A333 WeakPolarHBondContact O-CB 3.31Å
331	M	52	Low	57.7	Low	94 Å²	94	104.8 Å²	104.8	46%	0.463	57%	0.57	S	S	.	*	H	α-helix	trans	-80.9	-28.2	178.3	-67.6	-74.7	-84.5	0	0	112.7	Y327 R328 E329 A333 I339 W470	Y327-M331 HydrophobicContact CD1-CG 4.36Å; Y327-M331 HydrophobicContact CE1-CG 4.01Å; Y327-M331 HydrophobicContact CE2-CG 4.37Å; Y327-M331 WeakPolarHBondContact O-CG 3.42Å; Y327-M331 PolarHBondContact O-N 3.48Å; Y327-M331 VanDerWaalsContact O-N 3.1Å; R328-M331 PolarHBondContact O-N 3.23Å; E329-M331 VanDerWaalsContact C-N 3.3Å; E329-M331 PolarHBondContact O-N 2.88Å; M331-A333 VanDerWaalsContact C-N 3.3Å; M331-I339 HydrophobicContact SD-CD1 4.22Å; M331-W470 HydrophobicContact CE-CH2 4.39Å
332	D	64.1	Low	56.4	Low	125 Å²	125	107.2 Å²	107.2	67%	0.668	58%	0.584	S	S	*	*	H	α-helix	trans	-83.9	-4.2	172.2	-73.8	-32	0	0	0	112.5	R328 E329	R328-D332 PolarHBondContact O-N 3.23Å; E329-D332 PolarHBondContact O-N 3.32Å
333	A	54.2	Low	54.6	Low	40 Å²	40	109 Å²	109	33%	0.331	60%	0.596	S	S	.	*	S	Bend	trans	-69.7	137.4	175.1	0	0	0	0	0	111.3	E329 Q330 M331 A335	E329-A333 PolarHBondContact O-N 3.02Å; E329-A333 VanDerWaalsContact O-N 3.1Å; Q330-A333 WeakPolarHBondContact O-CB 3.31Å; M331-A333 VanDerWaalsContact C-N 3.3Å; A333-A335 PolarHBondContact O-N 2.85Å
334	P	51.2	Low	53	Low	111 Å²	111	112.7 Å²	112.7	72%	0.721	61%	0.611	S	S	*	*			trans	-56.6	139.8	177.4	22.6	-31.7	0	0	0	110.5	G336	P334-G336 PolarHBondContact O-N 2.98Å
335	A	54.2	Low	51.4	Low	120 Å²	120	111.5 Å²	111.5	99%	0.992	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	33.5	-162.1	0	0	0	0	0	118.5	A333	A333-A335 PolarHBondContact O-N 2.85Å
336	G	52	Low	50.1	Low	65 Å²	65	117 Å²	117	67%	0.67	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-1.3	-177.7	0	0	0	0	0	115.5	P334	P334-G336 PolarHBondContact O-N 2.98Å
337	F	45.4	Very low	48.5	Very low	176 Å²	176	123.2 Å²	123.2	77%	0.772	65%	0.649	S	S	*	*	S	Bend	trans	-106.3	123	179.8	-79.5	-82.4	0	0	0	112.1	I339	F337-I339 PolarHBondContact O-N 2.93Å
338	P	47.2	Very low	47.3	Very low	119 Å²	119	125.9 Å²	125.9	77%	0.773	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-67.4	123.5	175.7	25.3	-30.2	0	0	0	110.3	P340	P338-P340 WeakPolarHBondContact O-CD 3.48Å
339	I	46.1	Very low	45.8	Very low	97 Å²	97	123 Å²	123	50%	0.497	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-70.1	119.7	174.3	-57.9	171.2	0	0	0	108.1	M331 F337	M331-I339 HydrophobicContact SD-CD1 4.22Å; F337-I339 PolarHBondContact O-N 2.93Å
340	P	42.6	Very low	44.2	Very low	85 Å²	85	124.8 Å²	124.8	55%	0.552	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-68.4	143.6	173.9	27.8	-32.1	0	0	0	110	P338 I342	P338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-I342 PolarHBondContact O-N 3Å
341	P	40.3	Very low	42.9	Very low	120 Å²	120	128 Å²	128	78%	0.779	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-60.4	131.4	178.2	24.7	-32.5	0	0	0	110.2	S343	P341-S343 VanDerWaalsContact C-N 3.26Å; P341-S343 PolarHBondContact O-N 3.2Å
342	I	36.2	Very low	41.9	Very low	130 Å²	130	132.4 Å²	132.4	67%	0.667	73%	0.732	S	S	*	*			trans	-65.9	90.2	169.1	-57.2	170.8	0	0	0	107.1	P340 F344	P340-I342 PolarHBondContact O-N 3Å; I342-F344 HydrophobicContact CG2-CD2 4.36Å; I342-F344 HydrophobicContact CG2-CE2 4.45Å; I342-F344 PolarHBondContact O-N 3.29Å
343	S	33.4	Very low	40.6	Very low	91 Å²	91	130.4 Å²	130.4	64%	0.636	73%	0.728	S	S	*	*			trans	-74	109.1	167.7	59.9	0	0	0	0	108	P341 D345	P341-S343 VanDerWaalsContact C-N 3.26Å; P341-S343 PolarHBondContact O-N 3.2Å; S343-D345 PolarHBondContact O-N 3.06Å
344	F	34.6	Very low	39.6	Very low	200 Å²	200	136.9 Å²	136.9	88%	0.877	75%	0.751	S	S	*	*			trans	-65.4	78.9	158	-93.7	-90.5	0	0	0	107.9	I342 R346	I342-F344 HydrophobicContact CG2-CD2 4.36Å; I342-F344 HydrophobicContact CG2-CE2 4.45Å; I342-F344 PolarHBondContact O-N 3.29Å; F344-R346 PolarHBondContact O-N 2.83Å
345	D	31.7	Very low	38.8	Very low	104 Å²	104	137.7 Å²	137.7	56%	0.556	76%	0.757	S	S	*	*			trans	-75.9	94	-179.5	-151.3	-18.4	0	0	0	109.4	S343 R347	S343-D345 PolarHBondContact O-N 3.06Å; D345-R347 PolarHBondContact O-N 3.38Å; D345-R347 WeakPolarHBondContact OD1-CB 3.34Å; D345-R347 PolarHBondContact OD1-N 3.4Å; D345-R347 VanDerWaalsContact OD1-N 3.13Å
346	R	39.6	Very low	38	Very low	235 Å²	235	138.1 Å²	138.1	89%	0.887	75%	0.747	S	S	*	*			trans	-71.9	5.3	172.3	-118.5	-178.9	-171.9	-177.3	3.5	112.3	F344	F344-R346 PolarHBondContact O-N 2.83Å
347	R	35.5	Very low	37.2	Very low	217 Å²	217	139.7 Å²	139.7	82%	0.819	75%	0.754	S	S	*	*			trans	-117.7	54.1	-176.7	-66.1	-170.8	-116.8	-152.1	-3.3	113.8	D345	D345-R347 PolarHBondContact O-N 3.38Å; D345-R347 WeakPolarHBondContact OD1-CB 3.34Å; D345-R347 PolarHBondContact OD1-N 3.4Å; D345-R347 VanDerWaalsContact OD1-N 3.13Å
348	V	37.9	Very low	36.6	Very low	144 Å²	144	136.8 Å²	136.8	87%	0.873	76%	0.755	S	S	*	*	S	Bend	trans	-95.3	87.3	156.4	-175.6	0	0	0	0	107.5
349	G	31.9	Very low	36	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	76%	0.758	S	S	*	*	S	Bend	trans	177	-4.9	178.9	0	0	0	0	0	118.1
350	Q	36.4	Very low	35.6	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	77%	0.769	S	S	*	*	S	Bend	trans	-141.6	130	-179.5	-69	-179.2	-6.6	0	0	111.5
351	H	34.3	Very low	35.3	Very low	164 Å²	164	142.2 Å²	142.2	76%	0.759	78%	0.784	S	S	*	*			trans	78.2	81.1	172	-78.6	-89.8	0	0	0	118.9	S353	H351-S353 VanDerWaalsContact C-N 3.33Å; H351-S353 PolarHBondContact ND1-OG 3.23Å; H351-S353 VanDerWaalsContact ND1-OG 3.12Å; H351-S353 PolarHBondContact O-N 2.91Å
352	L	30.5	Very low	35.1	Very low	187 Å²	187	142.3 Å²	142.3	98%	0.979	78%	0.782	S	S	*	*			trans	-64.8	97.3	135.3	-83.1	161.6	0	0	0	108
353	S	37.4	Very low	34.9	Very low	82 Å²	82	140.3 Å²	140.3	57%	0.573	78%	0.78	S	S	*	*			trans	-140.6	109.5	158.2	19.6	0	0	0	0	107	H351	H351-S353 VanDerWaalsContact C-N 3.33Å; H351-S353 PolarHBondContact ND1-OG 3.23Å; H351-S353 VanDerWaalsContact ND1-OG 3.12Å; H351-S353 PolarHBondContact O-N 2.91Å
354	Q	34.5	Very low	35	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.822	79%	0.787	S	S	*	*			trans	-57.8	139	-179.2	-65.5	169.9	-26.4	0	0	110.9
355	P	34.2	Very low	34.9	Very low	129 Å²	129	144.3 Å²	144.3	84%	0.838	78%	0.783	S	S	*	*			trans	-81.4	113.3	158.5	29.9	-24.9	0	0	0	108.6	A357	P355-A357 PolarHBondContact O-N 2.73Å
356	V	36.1	Very low	34.9	Very low	128 Å²	128	144.5 Å²	144.5	78%	0.776	79%	0.788	S	S	*	*			trans	-69.5	123.7	167.1	174	0	0	0	0	107.9	S358	V356-S358 PolarHBondContact O-N 2.88Å
357	A	34.6	Very low	34.6	Very low	99 Å²	99	138.8 Å²	138.8	82%	0.818	78%	0.779	S	S	*	*			trans	-67.9	119.8	170.9	0	0	0	0	0	109.9	P355	P355-A357 PolarHBondContact O-N 2.73Å
358	S	33.8	Very low	34.5	Very low	115 Å²	115	133 Å²	133	80%	0.804	77%	0.772	S	S	*	*			trans	-104.9	107.5	165	53	0	0	0	0	108.9	V356	V356-S358 PolarHBondContact O-N 2.88Å
359	S	33.7	Very low	34.2	Very low	118 Å²	118	132 Å²	132	83%	0.825	77%	0.771	S	S	*	*			trans	-84.4	150.2	155	-85.5	0	0	0	0	109.5
360	P	38	Very low	34.2	Very low	114 Å²	114	134.7 Å²	134.7	74%	0.74	78%	0.778	S	S	*	*			trans	-91.7	143.3	-169.5	35.6	-30.1	0	0	0	111.2
361	E	36.8	Very low	34.2	Very low	183 Å²	183	130 Å²	130	86%	0.855	78%	0.777	S	S	*	*			trans	-168.8	122.8	150.3	-109.1	163.8	-164.1	0	0	112.5
362	T	36.2	Very low	34.4	Very low	121 Å²	121	128.6 Å²	128.6	74%	0.742	78%	0.776	S	S	*	*			trans	53.5	102.4	144.5	42	0	0	0	0	122.5
363	S	32.2	Very low	34.9	Very low	89 Å²	89	129.6 Å²	129.6	62%	0.622	77%	0.766	S	S	*	*				61.8	133	120.4	69.4	0	0	0	0	123.3
364	H	35.2	Very low	34.9	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.787	77%	0.772	S	S	*	*			trans	113.9	108	146.9	-61	-73.4	0	0	0	119.5
365	Y	32.8	Very low	35.2	Very low	204 Å²	204	128.4 Å²	128.4	80%	0.8	77%	0.767	S	S	*	*			trans	88.1	103.6	131.1	-122.2	-96	0	0	0	122.6
366	V	32.1	Very low	35.4	Very low	108 Å²	108	126.9 Å²	126.9	66%	0.655	77%	0.766	S	S	*	*				24.3	130.1	129	-142.3	0	0	0	0	116.8
367	T	33.2	Very low	35.6	Very low	115 Å²	115	125.3 Å²	125.3	71%	0.706	76%	0.761	S	S	*	*				-179.7	149.9	66.3	-49.1	0	0	0	0	111.9
368	S	32.4	Very low	35.7	Very low	96 Å²	96	128 Å²	128	67%	0.671	76%	0.761	S	S	*	*			trans	-42.8	158.7	170.5	48.3	0	0	0	0	117.5
369	C	32.6	Very low	36	Very low	124 Å²	124	128.2 Å²	128.2	84%	0.838	76%	0.763	S	S	*	*				-168.7	151.8	88	-82.9	0	0	0	0	114.5
370	S	32.2	Very low	36	Very low	127 Å²	127	128.5 Å²	128.5	89%	0.888	77%	0.765	S	S	*	*			trans	-75.4	162.8	-175.1	-40	0	0	0	0	115.8
371	G	36.3	Very low	35.9	Very low	80 Å²	80	125.9 Å²	125.9	83%	0.825	76%	0.758	S	S	*	*			trans	-171.8	118.1	166.8	0	0	0	0	0	113.5
372	D	38.4	Very low	35.8	Very low	135 Å²	135	125.7 Å²	125.7	72%	0.722	76%	0.758	S	S	*	*			trans	-74.9	160	-168.1	-83.6	-66.1	0	0	0	118.4
373	R	39.5	Very low	35.5	Very low	208 Å²	208	130.8 Å²	130.8	79%	0.785	77%	0.765	S	S	*	*			trans	69.3	148.3	137.1	-75.7	171.7	-161.5	-156.6	0.3	119.5
374	D	38	Very low	35.7	Very low	128 Å²	128	130.1 Å²	130.1	68%	0.684	77%	0.765	S	S	*	*			cis	-164.9	152.2	13.4	-100.3	-36.3	0	0	0	110.3
375	S	40.5	Very low	35.6	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	76%	0.762	S	S	*	*			trans	55	129.2	139.7	-53.4	0	0	0	0	125.8
376	A	38.6	Very low	35.7	Very low	97 Å²	97	130 Å²	130	80%	0.802	77%	0.769	S	S	*	*			trans	65.9	150.6	134.1	0	0	0	0	0	119.1
377	S	40.6	Very low	35.6	Very low	96 Å²	96	132 Å²	132	67%	0.671	78%	0.776	S	S	*	*			cis	-176.8	149.4	-12.5	45.2	0	0	0	0	105.4
378	D	37.1	Very low	35.5	Very low	154 Å²	154	137.3 Å²	137.3	82%	0.824	78%	0.783	S	S	*	*			trans	54.6	127.5	151.6	-63.6	-23.9	0	0	0	122.6
379	S	39.9	Very low	35.3	Very low	121 Å²	121	138 Å²	138	85%	0.846	79%	0.788	S	S	*	*				132.1	136.2	122.2	70.2	0	0	0	0	114.9
380	S	34.4	Very low	35.3	Very low	123 Å²	123	137.5 Å²	137.5	86%	0.86	79%	0.786	S	S	*	*			trans	-64.6	142.8	-172.1	49.1	0	0	0	0	114.9
381	G	35.6	Very low	35.2	Very low	59 Å²	59	143 Å²	143	61%	0.608	79%	0.787	S	S	*	*			trans	178.9	124.5	161.1	0	0	0	0	0	110.6
382	E	33.4	Very low	35.1	Very low	180 Å²	180	150.2 Å²	150.2	84%	0.841	79%	0.789	S	S	*	*			trans	59.6	121.1	147.9	-64.4	165.7	138	0	0	118.3
383	Y	31.3	Very low	34.9	Very low	228 Å²	228	154.9 Å²	154.9	89%	0.894	80%	0.797	S	S	*	*				-171.9	130.4	107.7	-119.1	-96.7	0	0	0	111.4
384	A	36.4	Very low	34.6	Very low	75 Å²	75	153.7 Å²	153.7	62%	0.62	80%	0.8	S	S	*	*			trans	-68.6	157.7	170.1	0	0	0	0	0	112
385	T	33.1	Very low	34.3	Very low	120 Å²	120	152.7 Å²	152.7	74%	0.736	81%	0.809	S	S	*	*			trans	62.1	96.8	146.3	-33.3	0	0	0	0	118.1
386	R	34.2	Very low	33.9	Very low	251 Å²	251	153.1 Å²	153.1	95%	0.947	81%	0.808	S	S	*	*			trans	-140.3	108.5	142.7	-74.1	-165.8	-177.5	172.7	2.3	111.9
387	L	30	Very low	33.7	Very low	151 Å²	151	154.3 Å²	154.3	79%	0.791	81%	0.807	S	S	*	*			trans	-41	140	150.6	-75.3	127.4	0	0	0	111.1
388	R	31.1	Very low	33.2	Very low	225 Å²	225	156 Å²	156	85%	0.849	81%	0.808	S	S	*	*				171.4	107.2	122	-91.8	164.8	-168.2	-159	3.6	110.2
389	S	28.3	Very low	32.9	Very low	112 Å²	112	155.1 Å²	155.1	78%	0.783	80%	0.803	S	S	*	*			trans	31.9	95.2	134.9	49.1	0	0	0	0	117
390	S	31.9	Very low	32.5	Very low	113 Å²	113	158.8 Å²	158.8	79%	0.79	80%	0.799	S	S	*	*			trans	-109.1	95.4	155.9	-83.8	0	0	0	0	109.5	R392	S390-R392 PolarHBondContact O-N 3.32Å
391	R	31.3	Very low	32.3	Very low	241 Å²	241	160.8 Å²	160.8	91%	0.909	80%	0.795	S	S	*	*			trans	-57.2	116.5	154.4	-72.2	178	-176.8	-176.6	0	108
392	R	34	Very low	32	Very low	232 Å²	232	166.1 Å²	166.1	88%	0.875	81%	0.806	S	S	*	*			trans	-127.8	87.8	156	-83.3	-173.9	-171.1	-127.4	1	105.7	S390	S390-R392 PolarHBondContact O-N 3.32Å
393	R	34.1	Very low	32	Very low	233 Å²	233	162.9 Å²	162.9	88%	0.879	80%	0.801	S	S	*	*				60.5	100.5	98.2	-73	-165.8	-170.3	-165.1	2.7	110.5
394	E	32.9	Very low	31.9	Very low	184 Å²	184	156.6 Å²	156.6	86%	0.86	80%	0.796	S	S	*	*			trans	-42.5	135	161.2	-71.9	146.2	146.2	0	0	110.4	T396	E394-T396 PolarHBondContact O-N 3.46Å
395	A	31.3	Very low	31.7	Very low	106 Å²	106	162.6 Å²	162.6	88%	0.876	81%	0.809	S	S	*	*			trans	-71.8	94.5	170.4	0	0	0	0	0	108.3
396	T	32.6	Very low	31.8	Very low	115 Å²	115	165.6 Å²	165.6	71%	0.706	82%	0.817	S	S	*	*			trans	-64.4	135.3	163.4	49.5	0	0	0	0	108.9	E394 I398	E394-T396 PolarHBondContact O-N 3.46Å; T396-I398 PolarHBondContact O-N 2.8Å
397	P	33.1	Very low	31.7	Very low	121 Å²	121	162 Å²	162	79%	0.786	81%	0.811	S	S	*	*			trans	-61.7	130.5	175.7	26.4	-31.4	0	0	0	108.9	N399	P397-N399 PolarHBondContact O-N 3.3Å
398	I	30.8	Very low	31.9	Very low	133 Å²	133	162.9 Å²	162.9	68%	0.682	81%	0.81	S	S	*	*			trans	-67.8	102.2	175.7	-59.3	172.8	0	0	0	107.1	T396 Y400	T396-I398 PolarHBondContact O-N 2.8Å; I398-Y400 HydrophobicContact CB-CD2 4.46Å; I398-Y400 HydrophobicContact CB-CE2 4.29Å; I398-Y400 HydrophobicContact CG2-CD2 3.56Å; I398-Y400 HydrophobicContact CG2-CE2 3.36Å; I398-Y400 HydrophobicContact CG2-CG 4.33Å; I398-Y400 PolarHBondContact O-N 2.76Å
399	N	30.3	Very low	32.1	Very low	134 Å²	134	160.1 Å²	160.1	72%	0.717	81%	0.811	S	S	*	*			trans	-74.9	103	167.7	-169.6	2.2	0	0	0	107.8	P397 Q401	P397-N399 PolarHBondContact O-N 3.3Å; N399-Q401 PolarHBondContact O-N 2.78Å
400	Y	32	Very low	32.4	Very low	198 Å²	198	161 Å²	161	78%	0.776	81%	0.812	S	S	*	*			trans	-81.4	94.7	170.2	-86.7	-82.3	0	0	0	108.9	I398 M402	I398-Y400 HydrophobicContact CB-CD2 4.46Å; I398-Y400 HydrophobicContact CB-CE2 4.29Å; I398-Y400 HydrophobicContact CG2-CD2 3.56Å; I398-Y400 HydrophobicContact CG2-CE2 3.36Å; I398-Y400 HydrophobicContact CG2-CG 4.33Å; I398-Y400 PolarHBondContact O-N 2.76Å; Y400-M402 PolarHBondContact O-N 2.79Å
401	Q	31	Very low	32.6	Very low	165 Å²	165	161.6 Å²	161.6	77%	0.771	81%	0.813	S	S	*	*			trans	-76.5	112.6	166.8	-161.3	135.4	-6.2	0	0	108.2	N399	N399-Q401 PolarHBondContact O-N 2.78Å
402	M	29.3	Very low	32.6	Very low	171 Å²	171	156.2 Å²	156.2	84%	0.842	81%	0.807	S	S	*	*			trans	-61.8	136.1	172	-75.3	-146.4	85.7	0	0	109.8	Y400 A404	Y400-M402 PolarHBondContact O-N 2.79Å; M402-A404 PolarHBondContact O-N 3.26Å
403	P	32.6	Very low	32.7	Very low	113 Å²	113	151.7 Å²	151.7	73%	0.734	81%	0.806	S	S	*	*			trans	-68.4	124.1	175	26.4	-29.7	0	0	0	109.9	F405	P403-F405 PolarHBondContact O-N 2.76Å
404	A	29.3	Very low	32.8	Very low	96 Å²	96	145.4 Å²	145.4	79%	0.793	80%	0.797	S	S	*	*			trans	-71.8	102.8	166.9	0	0	0	0	0	108.8	M402	M402-A404 PolarHBondContact O-N 3.26Å
405	F	31.8	Very low	32.7	Very low	200 Å²	200	144.2 Å²	144.2	88%	0.877	80%	0.795	S	S	*	*			trans	-154.5	84.9	169	-122.9	-86.7	0	0	0	109.6	P403	P403-F405 PolarHBondContact O-N 2.76Å
406	M	36.1	Very low	33.1	Very low	184 Å²	184	145.7 Å²	145.7	91%	0.906	79%	0.793	S	S	*	*			trans	-177.1	63.5	148.8	-101.6	175.2	81.3	0	0	108
407	E	31.5	Very low	33.1	Very low	175 Å²	175	147.2 Å²	147.2	82%	0.818	80%	0.797	S	S	*	*			trans	-76.3	152.4	146	-77.8	178.6	126.7	0	0	107.4
408	H	34.4	Very low	33.4	Very low	169 Å²	169	146.6 Å²	146.6	78%	0.782	79%	0.793	S	S	*	*			trans	86.3	86	-171.7	-44.7	-63.2	0	0	0	114.3
409	L	35.4	Very low	33.5	Very low	167 Å²	167	149.1 Å²	149.1	87%	0.874	80%	0.802	S	S	*	*				172.3	78.7	124.8	-84.6	170.3	0	0	0	107.9
410	V	33.9	Very low	33.9	Very low	132 Å²	132	150.2 Å²	150.2	80%	0.8	81%	0.807	S	S	*	*			trans	-106.8	113.3	166.8	177.7	0	0	0	0	107.3	T412	V410-T412 PolarHBondContact O-N 3.34Å
411	P	37.5	Very low	34.1	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	80%	0.804	S	S	*	*			trans	-79.8	116.6	165.5	-10.5	27.7	0	0	0	109.6
412	T	30.3	Very low	34.2	Very low	129 Å²	129	143.2 Å²	143.2	79%	0.791	80%	0.801	S	S	*	*			trans	-69.7	128.2	175.3	-33.4	0	0	0	0	110.7	V410	V410-T412 PolarHBondContact O-N 3.34Å
413	T	36.7	Very low	34.5	Very low	137 Å²	137	143.6 Å²	143.6	84%	0.84	80%	0.8	S	S	*	*			trans	-140.9	117.8	150	52.7	0	0	0	0	110.6
414	S	35.7	Very low	34.5	Very low	101 Å²	101	144 Å²	144	71%	0.706	80%	0.801	S	S	*	*			trans	-37.8	129.6	171.7	47.3	0	0	0	0	115.5
415	I	31.4	Very low	34.7	Very low	159 Å²	159	144.8 Å²	144.8	82%	0.815	80%	0.796	S	S	*	*				52.5	107.4	93.6	-56.1	170.4	0	0	0	112.8
416	V	39.9	Very low	35	Very low	136 Å²	136	142.7 Å²	142.7	82%	0.824	79%	0.789	S	S	*	*				-167	117.8	117.5	177.8	0	0	0	0	108.8
417	D	31.9	Very low	35	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	78%	0.775	S	S	*	*			trans	-97	167	153.6	-106	-42.5	0	0	0	107.1
418	P	39.4	Very low	35.2	Very low	109 Å²	109	141.7 Å²	141.7	71%	0.708	78%	0.776	S	S	*	*			cis	-146.6	171.5	28.5	33.5	-9.1	0	0	0	117.2
419	Q	34.1	Very low	35.4	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.864	77%	0.767	S	S	*	*			trans	9.5	123.8	146.8	-60.1	-176.6	-31.3	0	0	119.3
420	D	37.5	Very low	35.7	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	76%	0.76	S	S	*	*				-162.4	146.9	128.5	-139.5	-5.7	0	0	0	115.3
421	V	36.8	Very low	36.1	Very low	116 Å²	116	136.4 Å²	136.4	70%	0.703	76%	0.757	S	S	*	*			trans	64	98.8	156	-160.3	0	0	0	0	121.5
422	S	32.8	Very low	36.2	Very low	100 Å²	100	139.4 Å²	139.4	70%	0.699	76%	0.76	S	S	*	*			trans	-63.2	156.4	148	-42.5	0	0	0	0	112.9
423	Q	36.2	Very low	36.6	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	75%	0.752	S	S	*	*			trans	92.1	108.4	160.9	-50.2	171.4	24.7	0	0	115.9
424	T	31.9	Very low	36.6	Very low	121 Å²	121	139.3 Å²	139.3	74%	0.742	75%	0.753	S	S	*	*				172.5	118.6	90.5	-63.8	0	0	0	0	109.4
425	T	32.7	Very low	36.6	Very low	112 Å²	112	143 Å²	143	69%	0.687	76%	0.759	S	S	*	*			trans	-16.9	137.2	153.7	54.9	0	0	0	0	116.2
426	Q	39.8	Very low	36.6	Very low	156 Å²	156	143.4 Å²	143.4	73%	0.729	76%	0.758	S	S	*	*				166.5	130.6	104.3	-92.3	-172	11.3	0	0	112.7
427	N	35.8	Very low	36.3	Very low	117 Å²	117	141.5 Å²	141.5	63%	0.626	75%	0.75	S	S	*	*			trans	90.7	120.2	133.7	-67.2	-17.8	0	0	0	121.3
428	R	36	Very low	36.6	Very low	221 Å²	221	146.5 Å²	146.5	83%	0.834	76%	0.758	S	S	*	*			trans	84.3	97.9	131.9	-77.2	177.2	162.2	159.1	-4.7	115.9
429	S	38.5	Very low	36.2	Very low	85 Å²	85	152.7 Å²	152.7	59%	0.594	77%	0.767	S	S	*	*				74.2	112.4	77.3	74.6	0	0	0	0	111.9
430	N	40.3	Very low	36.3	Very low	134 Å²	134	155.3 Å²	155.3	72%	0.717	77%	0.769	S	S	*	*				151.4	129.2	122.7	-77.2	-6.5	0	0	0	113.5
431	D	42.2	Very low	36	Very low	139 Å²	139	152.7 Å²	152.7	74%	0.743	76%	0.763	S	S	*	*			trans	78.5	98.5	139	-53.4	-28.4	0	0	0	122.1
432	E	40	Very low	36	Very low	186 Å²	186	155.4 Å²	155.4	87%	0.869	77%	0.773	S	S	*	*				63	150.6	123.2	-88.8	-99.2	117.4	0	0	123.7
433	P	38.6	Very low	36.1	Very low	96 Å²	96	157.7 Å²	157.7	62%	0.623	78%	0.777	S	S	*	*			trans	-104.7	152.8	-156	40.5	-32	0	0	0	113.6
434	I	37.8	Very low	36.2	Very low	169 Å²	169	156.1 Å²	156.1	87%	0.867	78%	0.775	S	S	*	*			trans	-136.3	133.7	170.4	-60.7	-179.1	0	0	0	112.2
435	Q	35.4	Very low	36.4	Very low	177 Å²	177	154.2 Å²	154.2	83%	0.827	77%	0.766	S	S	*	*			trans	-51.5	150	178.6	-71.3	169.5	-35.7	0	0	117.8
436	E	31.9	Very low	36.5	Very low	169 Å²	169	154.8 Å²	154.8	79%	0.79	77%	0.77	S	S	*	*				60.8	139.8	124.2	-161.3	54.3	-126.7	0	0	120.7
437	S	33.7	Very low	36.4	Very low	95 Å²	95	156 Å²	156	66%	0.664	78%	0.775	S	S	*	*			trans	79.3	98.8	158.7	72	0	0	0	0	120
438	R	38	Very low	36.5	Very low	253 Å²	253	157.6 Å²	157.6	96%	0.955	79%	0.79	S	S	*	*			trans	-156.6	94.6	133.6	-114.4	175	-147.3	-168.7	7	112.9
439	R	30.6	Very low	36.2	Very low	238 Å²	238	159 Å²	159	90%	0.898	80%	0.795	S	S	*	*			trans	-59.4	143.9	156.2	-69.2	178.5	174	-176.5	-2.2	110.6
440	R	35	Very low	35.9	Very low	241 Å²	241	159.9 Å²	159.9	91%	0.909	80%	0.801	S	S	*	*			trans	174.5	94.7	143	-94.3	159.8	-165.2	-136	5.4	107.1
441	S	32.6	Very low	35.6	Very low	102 Å²	102	161.8 Å²	161.8	71%	0.713	81%	0.81	S	S	*	*				64.4	104.4	87	-174.4	0	0	0	0	113.2
442	L	36.8	Very low	35.2	Very low	173 Å²	173	166 Å²	166	91%	0.906	82%	0.817	S	S	*	*			trans	-152.2	92.5	148.3	-100.9	153.5	0	0	0	106.9
443	N	34.6	Very low	34.8	Very low	147 Å²	147	163.5 Å²	163.5	79%	0.786	82%	0.815	S	S	*	*			trans	-79.1	126.7	160.9	-65.4	-17.6	0	0	0	106.5
444	D	38.3	Very low	34.7	Very low	147 Å²	147	167.2 Å²	167.2	79%	0.786	82%	0.824	S	S	*	*			trans	-132.3	91.7	155.3	-154.7	12.1	0	0	0	110
445	S	36.3	Very low	34.4	Very low	81 Å²	81	165.6 Å²	165.6	57%	0.566	82%	0.822	S	S	*	*				32.1	118.1	126.9	-18.6	0	0	0	0	119.3
446	T	34.8	Very low	34.3	Very low	124 Å²	124	161.2 Å²	161.2	76%	0.761	81%	0.811	S	S	*	*				55.9	108.2	128.9	51.7	0	0	0	0	118.7
447	E	36.4	Very low	34.6	Very low	182 Å²	182	159.2 Å²	159.2	85%	0.85	81%	0.813	S	S	*	*				156.7	104.3	122.7	-85.8	179.6	169.9	0	0	110.2
448	T	38.9	Very low	34.8	Very low	151 Å²	151	163.9 Å²	163.9	93%	0.926	82%	0.821	S	S	*	*			trans	-179.4	65.5	145.6	27.1	0	0	0	0	107.9
449	R	30.1	Very low	34.6	Very low	251 Å²	251	160.9 Å²	160.9	95%	0.947	82%	0.816	S	S	*	*			trans	-72.4	139.8	158.6	-178.1	176	173.5	154.1	-2.3	106.8
450	S	31.6	Very low	34.7	Very low	102 Å²	102	152.3 Å²	152.3	71%	0.713	80%	0.801	S	S	*	*			trans	101.9	80	167.4	-167.2	0	0	0	0	116.7
451	L	34	Very low	35	Very low	175 Å²	175	146.8 Å²	146.8	92%	0.916	80%	0.797	S	S	*	*			trans	-151.4	59.7	131.8	-74.2	-171.7	0	0	0	108.9
452	Y	33.1	Very low	35.1	Very low	226 Å²	226	151.8 Å²	151.8	89%	0.886	81%	0.806	S	S	*	*			trans	-118.5	90	165.2	-113.2	-91.2	0	0	0	106
453	T	31.3	Very low	35.4	Very low	134 Å²	134	148 Å²	148	82%	0.822	79%	0.79	S	S	*	*			trans	167.6	143.2	152.1	26.9	0	0	0	0	109.4
454	Q	38.2	Very low	35.8	Very low	175 Å²	175	149.3 Å²	149.3	82%	0.818	80%	0.796	S	S	*	*			trans	101.8	99.3	167.5	-64.6	-177.9	12.5	0	0	117.3
455	T	31.1	Very low	36	Very low	135 Å²	135	148.7 Å²	148.7	83%	0.828	79%	0.792	S	S	*	*			trans	108.3	75.2	132.2	70.4	0	0	0	0	118.5
456	S	32.4	Very low	36.1	Very low	85 Å²	85	149 Å²	149	59%	0.594	79%	0.787	S	S	*	*				-163.2	126.7	114.1	88.1	0	0	0	0	109.9	F458	S456-F458 PolarHBondContact O-N 3.07Å
457	P	38	Very low	36.8	Very low	127 Å²	127	154 Å²	154	83%	0.825	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	14.1	-177	-9	27.3	0	0	0	115.8
458	F	38.1	Very low	37.4	Very low	192 Å²	192	152.3 Å²	152.3	84%	0.842	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-7.1	-171.8	-84.8	-81.5	0	0	0	116	S456	S456-F458 PolarHBondContact O-N 3.07Å
459	F	35.3	Very low	37.8	Very low	191 Å²	191	148.2 Å²	148.2	84%	0.838	76%	0.762	S	S	*	*			trans	-109.7	86.5	175.3	-79.9	-90.6	0	0	0	109.4
460	G	32.1	Very low	38.8	Very low	57 Å²	57	142.2 Å²	142.2	59%	0.588	74%	0.739	S	S	*	*			trans	-57.4	153.7	164.2	0	0	0	0	0	110.6	F462	G460-F462 PolarHBondContact O-N 3.15Å
461	P	40.3	Very low	40.1	Very low	126 Å²	126	141 Å²	141	82%	0.818	73%	0.729	S	S	*	*			trans	-63.2	110.2	-171.9	26.4	-31.6	0	0	0	108.9	V463	P461-V463 PolarHBondContact O-N 2.98Å
462	F	35.8	Very low	41	Very low	206 Å²	206	139.9 Å²	139.9	90%	0.904	72%	0.721	S	S	*	*			trans	-62.1	108.9	171.3	-150.8	-93.2	0	0	0	106.3	G460 L464	G460-F462 PolarHBondContact O-N 3.15Å; F462-L464 PolarHBondContact O-N 3.08Å
463	V	43.1	Very low	42.3	Very low	94 Å²	94	134.7 Å²	134.7	57%	0.57	70%	0.704	S	S	*	*			trans	-50	126	-170.8	-179.3	0	0	0	0	108.6	P461 L465	P461-V463 PolarHBondContact O-N 2.98Å; V463-L465 HydrophobicContact CB-CD2 4.46Å; V463-L465 HydrophobicContact CB-CG 3.98Å; V463-L465 HydrophobicContact CG1-CB 4.5Å; V463-L465 HydrophobicContact CG1-CD2 3.72Å; V463-L465 HydrophobicContact CG1-CG 3.66Å; V463-L465 PolarHBondContact O-N 3.04Å
464	L	42.3	Very low	43.8	Very low	175 Å²	175	130.3 Å²	130.3	92%	0.916	68%	0.682	S	S	*	*			trans	-56.7	80.4	153.6	-69.4	170.8	0	0	0	106.7	F462 D466	F462-L464 PolarHBondContact O-N 3.08Å; L464-D466 PolarHBondContact O-N 3.41Å
465	L	42.9	Very low	45.5	Very low	133 Å²	133	127.2 Å²	127.2	70%	0.696	67%	0.667	S	S	*	*			trans	-73.6	91.5	174.4	-81.8	170.5	0	0	0	106.7	V463	V463-L465 HydrophobicContact CB-CD2 4.46Å; V463-L465 HydrophobicContact CB-CG 3.98Å; V463-L465 HydrophobicContact CG1-CB 4.5Å; V463-L465 HydrophobicContact CG1-CD2 3.72Å; V463-L465 HydrophobicContact CG1-CG 3.66Å; V463-L465 PolarHBondContact O-N 3.04Å
466	D	37.6	Very low	47.6	Very low	89 Å²	89	125.7 Å²	125.7	48%	0.476	65%	0.654	S	S	.	*			trans	-9.2	126.6	159.6	-165	12.1	0	0	0	114.7	L464 Q468 S469	L464-D466 PolarHBondContact O-N 3.41Å; D466-Q468 PolarHBondContact O-N 2.98Å; D466-S469 PolarHBondContact O-N 3.24Å; D466-S469 PolarHBondContact O-OG 3.33Å
467	R	49.6	Very low	49.4	Very low	228 Å²	228	126.6 Å²	126.6	86%	0.86	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	14.8	179.4	-158.6	175.2	160.9	-174.7	-4.2	112.9
468	Q	50.6	Low	50.9	Low	147 Å²	147	127.6 Å²	127.6	69%	0.687	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-5.9	-178	-63.9	176.4	31.1	0	0	113.9	D466 P471	D466-Q468 PolarHBondContact O-N 2.98Å; Q468-P471 WeakPolarHBondContact O-CD 3.18Å
469	S	47.3	Very low	52.3	Low	65 Å²	65	123.2 Å²	123.2	46%	0.455	62%	0.62	S	S	.	*	S	Bend	trans	-81.4	-13.6	173.6	54.4	0	0	0	0	114.3	D466 P471	D466-S469 PolarHBondContact O-N 3.24Å; D466-S469 PolarHBondContact O-OG 3.33Å; S469-P471 WeakPolarHBondContact O-CD 3.22Å
470	W	50	Low	54	Low	125 Å²	125	118.3 Å²	118.3	47%	0.473	60%	0.601	S	S	.	*	H	α-helix	trans	-68.5	-11.2	-178	-59.4	86.9	0	0	0	118.7	M331	M331-W470 HydrophobicContact CE-CH2 4.39Å
471	P	59.1	Low	55.4	Low	75 Å²	75	118.4 Å²	118.4	49%	0.487	60%	0.596	S	S	.	*	H	α-helix	trans	-76.3	-30.4	177.5	26	-28.1	0	0	0	112.6	Q468 S469 Q475	Q468-P471 WeakPolarHBondContact O-CD 3.18Å; S469-P471 WeakPolarHBondContact O-CD 3.22Å; P471-Q475 WeakPolarHBondContact O-CB 3.14Å; P471-Q475 PolarHBondContact O-N 2.79Å
472	M	53.3	Low	56.3	Low	153 Å²	153	117.7 Å²	117.7	75%	0.754	58%	0.582	S	S	*	*	H	α-helix	trans	-75.5	-39.8	-173	-162.1	-177	-68.9	0	0	112.5	Q475 L476	M472-Q475 CarbonylContact O-C 3.58Å; M472-Q475 PolarHBondContact O-N 2.79Å; M472-L476 VanDerWaalsContact O-CB 3.27Å; M472-L476 WeakPolarHBondContact O-CB 3.19Å; M472-L476 PolarHBondContact O-N 2.74Å
473	E	60.6	Low	57.5	Low	116 Å²	116	114.1 Å²	114.1	54%	0.542	57%	0.571	S	S	.	*	H	α-helix	trans	-71.8	-39.5	177.7	-79.2	150.5	161.2	0	0	112.4	Q475 L476 L477	E473-Q475 VanDerWaalsContact C-N 3.28Å; E473-Q475 PolarHBondContact O-N 3.33Å; E473-L476 PolarHBondContact O-N 2.71Å; E473-L477 WeakPolarHBondContact O-CB 3.45Å; E473-L477 WeakPolarHBondContact O-CD1 3.13Å; E473-L477 PolarHBondContact O-N 3.42Å
474	A	63.4	Low	58.1	Low	42 Å²	42	114.7 Å²	114.7	35%	0.347	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-33.3	171.7	0	0	0	0	0	111.8	R478	A474-R478 WeakPolarHBondContact O-CB 3.46Å; A474-R478 VanDerWaalsContact O-CG 3.29Å; A474-R478 WeakPolarHBondContact O-CG 3.03Å; A474-R478 PolarHBondContact O-N 3.37Å; A474-R478 PolarHBondContact O-NE 3.23Å
475	Q	72.3	Confident	58.7	Low	110 Å²	110	112 Å²	112	51%	0.514	55%	0.553	S	S	.	*	H	α-helix	trans	-73.7	-37.1	174.1	-172.6	154	-0.9	0	0	112.2	P471 M472 E473 R478 H479	P471-Q475 WeakPolarHBondContact O-CB 3.14Å; P471-Q475 PolarHBondContact O-N 2.79Å; M472-Q475 CarbonylContact O-C 3.58Å; M472-Q475 PolarHBondContact O-N 2.79Å; E473-Q475 VanDerWaalsContact C-N 3.28Å; E473-Q475 PolarHBondContact O-N 3.33Å; Q475-R478 PolarHBondContact O-N 2.95Å; Q475-H479 WeakPolarHBondContact O-CB 3.19Å; Q475-H479 PolarHBondContact O-N 2.94Å
476	L	76	Confident	59.3	Low	103 Å²	103	108.4 Å²	108.4	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-63.8	-45.7	172.1	-176.6	68.2	0	0	0	110.3	M472 E473 R478 H479 M480	M472-L476 VanDerWaalsContact O-CB 3.27Å; M472-L476 WeakPolarHBondContact O-CB 3.19Å; M472-L476 PolarHBondContact O-N 2.74Å; E473-L476 PolarHBondContact O-N 2.71Å; L476-R478 PolarHBondContact O-N 3.49Å; L476-H479 CarbonylContact O-C 3.56Å; L476-H479 WeakPolarHBondContact O-CB 3.27Å; L476-H479 PolarHBondContact O-N 3.2Å; L476-M480 HydrophobicContact CD1-CG 4.49Å; L476-M480 HydrophobicContact CD1-SD 4.48Å; L476-M480 HydrophobicContact CD2-SD 4.39Å; L476-M480 HydrophobicContact CG-CG 4.37Å; L476-M480 HydrophobicContact CG-SD 3.94Å; L476-M480 VanDerWaalsContact O-CB 3.31Å; L476-M480 WeakPolarHBondContact O-CB 3.27Å; L476-M480 WeakPolarHBondContact O-CG 3.34Å; L476-M480 PolarHBondContact O-N 2.81Å
477	L	69	Low	60.1	Low	104 Å²	104	106.6 Å²	106.6	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-39.6	174.9	-85.5	152.8	0	0	0	112.1	E473 M480 A481	E473-L477 WeakPolarHBondContact O-CB 3.45Å; E473-L477 WeakPolarHBondContact O-CD1 3.13Å; E473-L477 PolarHBondContact O-N 3.42Å; L477-M480 PolarHBondContact O-N 3.42Å; L477-A481 WeakPolarHBondContact O-CB 3.06Å; L477-A481 PolarHBondContact O-N 3.41Å
478	R	69.8	Low	60.9	Low	148 Å²	148	102.7 Å²	102.7	56%	0.558	52%	0.521	S	S	*	.	H	α-helix	trans	-65.3	-42.7	172.1	-79.5	-179.2	-75.4	-147.8	2.7	112	A474 Q475 L476 M480 A481 Q482	A474-R478 WeakPolarHBondContact O-CB 3.46Å; A474-R478 VanDerWaalsContact O-CG 3.29Å; A474-R478 WeakPolarHBondContact O-CG 3.03Å; A474-R478 PolarHBondContact O-N 3.37Å; A474-R478 PolarHBondContact O-NE 3.23Å; Q475-R478 PolarHBondContact O-N 2.95Å; L476-R478 PolarHBondContact O-N 3.49Å; R478-M480 VanDerWaalsContact C-N 3.35Å; R478-A481 PolarHBondContact O-N 2.97Å; R478-Q482 WeakPolarHBondContact O-CB 3.29Å; R478-Q482 VanDerWaalsContact O-CG 3.28Å; R478-Q482 WeakPolarHBondContact O-CG 3.08Å; R478-Q482 PolarHBondContact O-N 3.07Å
479	H	69.1	Low	62	Low	100 Å²	100	97.1 Å²	97.1	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-43.2	174	-108.5	-76.6	0	0	0	111.4	Q475 L476 Q482 I483	Q475-H479 WeakPolarHBondContact O-CB 3.19Å; Q475-H479 PolarHBondContact O-N 2.94Å; L476-H479 CarbonylContact O-C 3.56Å; L476-H479 WeakPolarHBondContact O-CB 3.27Å; L476-H479 PolarHBondContact O-N 3.2Å; H479-Q482 PolarHBondContact O-N 3.47Å; H479-I483 WeakPolarHBondContact O-CB 3.17Å; H479-I483 VanDerWaalsContact O-CD1 3.29Å; H479-I483 WeakPolarHBondContact O-CD1 3.35Å; H479-I483 WeakPolarHBondContact O-CG1 3.48Å; H479-I483 PolarHBondContact O-N 3.25Å
480	M	69.6	Low	63.5	Low	89 Å²	89	94.3 Å²	94.3	44%	0.438	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-41	176.8	-72.6	175.4	74.9	0	0	110.7	L476 L477 R478 Q482 I483 L484	L476-M480 HydrophobicContact CD1-CG 4.49Å; L476-M480 HydrophobicContact CD1-SD 4.48Å; L476-M480 HydrophobicContact CD2-SD 4.39Å; L476-M480 HydrophobicContact CG-CG 4.37Å; L476-M480 HydrophobicContact CG-SD 3.94Å; L476-M480 VanDerWaalsContact O-CB 3.31Å; L476-M480 WeakPolarHBondContact O-CB 3.27Å; L476-M480 WeakPolarHBondContact O-CG 3.34Å; L476-M480 PolarHBondContact O-N 2.81Å; L477-M480 PolarHBondContact O-N 3.42Å; R478-M480 VanDerWaalsContact C-N 3.35Å; M480-Q482 VanDerWaalsContact C-N 3.34Å; M480-I483 CarbonylContact O-C 3.25Å; M480-I483 PolarHBondContact O-N 3.32Å; M480-L484 WeakPolarHBondContact O-CB 3.29Å; M480-L484 WeakPolarHBondContact O-CG 3.38Å; M480-L484 PolarHBondContact O-N 2.87Å
481	A	61.8	Low	65.1	Low	58 Å²	58	92.6 Å²	92.6	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-39	174.4	0	0	0	0	0	111.7	L477 R478 L484 E485	L477-A481 WeakPolarHBondContact O-CB 3.06Å; L477-A481 PolarHBondContact O-N 3.41Å; R478-A481 PolarHBondContact O-N 2.97Å; A481-L484 CarbonylContact O-C 3.59Å; A481-L484 VanDerWaalsContact O-C 3.25Å; A481-L484 PolarHBondContact O-N 3.4Å; A481-E485 PolarHBondContact O-N 2.73Å
482	Q	59.6	Low	66.1	Low	112 Å²	112	93 Å²	93	52%	0.523	48%	0.484	S	S	.	.	H	α-helix	trans	-67.9	-38.4	172.7	-74.6	171.1	-3.3	0	0	112.5	R478 H479 M480 L484 E485	R478-Q482 WeakPolarHBondContact O-CB 3.29Å; R478-Q482 VanDerWaalsContact O-CG 3.28Å; R478-Q482 WeakPolarHBondContact O-CG 3.08Å; R478-Q482 PolarHBondContact O-N 3.07Å; H479-Q482 PolarHBondContact O-N 3.47Å; M480-Q482 VanDerWaalsContact C-N 3.34Å; Q482-L484 PolarHBondContact O-N 2.96Å; Q482-E485 PolarHBondContact O-N 3.37Å
483	I	60.2	Low	67.5	Low	130 Å²	130	89 Å²	89	67%	0.667	47%	0.472	S	S	*	.	H	α-helix	trans	-68	-29.8	174.3	-68.2	160.5	0	0	0	110.7	H479 M480	H479-I483 WeakPolarHBondContact O-CB 3.17Å; H479-I483 VanDerWaalsContact O-CD1 3.29Å; H479-I483 WeakPolarHBondContact O-CD1 3.35Å; H479-I483 WeakPolarHBondContact O-CG1 3.48Å; H479-I483 PolarHBondContact O-N 3.25Å; M480-I483 CarbonylContact O-C 3.25Å; M480-I483 PolarHBondContact O-N 3.32Å
484	L	55.6	Low	68.6	Low	107 Å²	107	84.9 Å²	84.9	56%	0.56	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	8.2	179.1	-64.9	172.7	0	0	0	113.3	M480 A481 Q482 T486	M480-L484 WeakPolarHBondContact O-CB 3.29Å; M480-L484 WeakPolarHBondContact O-CG 3.38Å; M480-L484 PolarHBondContact O-N 2.87Å; A481-L484 CarbonylContact O-C 3.59Å; A481-L484 VanDerWaalsContact O-C 3.25Å; A481-L484 PolarHBondContact O-N 3.4Å; Q482-L484 PolarHBondContact O-N 2.96Å; L484-T486 VanDerWaalsContact C-N 3.29Å; L484-T486 PolarHBondContact O-N 3.37Å
485	E	56.1	Low	69.7	Low	118 Å²	118	82.9 Å²	82.9	55%	0.551	44%	0.438	S	S	*	.			trans	-55.7	103.4	168.4	-87.2	172.3	-157.1	0	0	105	A481 Q482 P487	A481-E485 PolarHBondContact O-N 2.73Å; Q482-E485 PolarHBondContact O-N 3.37Å; E485-P487 VanDerWaalsContact C-N 3.34Å; E485-P487 WeakPolarHBondContact O-CD 3.37Å
486	T	54.1	Low	70.3	Confident	58 Å²	58	83.1 Å²	83.1	36%	0.356	44%	0.439	S	S	.	.			trans	-58.1	106.3	175.7	43.6	0	0	0	0	104.4	H313 L484 E488	H313-T486 WeakPolarHBondContact NE2-CG2 3.26Å; L484-T486 VanDerWaalsContact C-N 3.29Å; L484-T486 PolarHBondContact O-N 3.37Å; T486-E488 PolarHBondContact O-N 3.03Å; T486-E488 VanDerWaalsContact O-N 3.07Å
487	P	55.7	Low	70.8	Confident	51 Å²	51	86.2 Å²	86.2	33%	0.331	44%	0.443	S	S	.	.			trans	-70.4	124.3	-176.4	13.9	-1	0	0	0	103.9	E485 G489 I551 N552	E485-P487 VanDerWaalsContact C-N 3.34Å; E485-P487 WeakPolarHBondContact O-CD 3.37Å; P487-G489 PolarHBondContact O-N 2.78Å; P487-I551 CarbonylContact C-O 3.55Å; P487-I551 VanDerWaalsContact CB-O 3.27Å; P487-I551 WeakPolarHBondContact CB-O 3.44Å; P487-I551 HydrophobicContact CG-CG2 4.34Å; P487-I551 WeakPolarHBondContact CG-O 3.13Å; P487-N552 HydrophobicContact CB-CB 3.54Å; P487-N552 WeakPolarHBondContact CB-OD1 3.06Å; P487-N552 HydrophobicContact CG-CB 3.71Å
488	E	66	Low	71.5	Confident	145 Å²	145	82.4 Å²	82.4	68%	0.678	42%	0.424	S	S	*	.			trans	-61.9	115	175.9	-71.4	-176.1	174.5	0	0	106.2	T486 K553	T486-E488 PolarHBondContact O-N 3.03Å; T486-E488 VanDerWaalsContact O-N 3.07Å; E488-K553 HydrophobicContact CB-CD 4.31Å; E488-K553 WeakPolarHBondContact O-CD 3.44Å; E488-K553 WeakPolarHBondContact O-CE 3.49Å; E488-K553 WeakPolarHBondContact O-CG 3.28Å; E488-K553 IonicContact OE2-NZ 2.96Å; E488-K553 PolarHBondContact OE2-NZ 3.37Å; E488-K553 VanDerWaalsContact OE2-NZ 3.15Å
489	G	73.4	Confident	72.3	Confident	31 Å²	31	75.8 Å²	75.8	32%	0.32	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.4	144.6	175.2	0	0	0	0	0	111.5	P487 V550 K553	P487-G489 PolarHBondContact O-N 2.78Å; G489-V550 WeakPolarHBondContact CA-O 3.25Å; G489-K553 WeakPolarHBondContact O-CE 3.16Å
490	A	78.9	Confident	73.2	Confident	6 Å²	6	75.1 Å²	75.1	5%	0.05	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-73.8	143	165.2	0	0	0	0	0	109.1	V494 I495 L549 K553	A490-V494 HydrophobicContact CB-CB 4.33Å; A490-V494 HydrophobicContact CB-CG1 4.18Å; A490-I495 HydrophobicContact CB-CD1 4.19Å; A490-I495 HydrophobicContact CB-CG1 3.66Å; A490-L549 PolarHBondContact N-O 3.24Å; A490-K553 HydrophobicContact CB-CG 3.83Å
491	T	83.3	Confident	74.1	Confident	89 Å²	89	74.3 Å²	74.3	55%	0.546	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-68.5	152.9	165.4	60.2	0	0	0	0	109.2	S493 V494 I495	T491-S493 PolarHBondContact O-N 2.94Å; T491-V494 WeakPolarHBondContact O-CB 3.27Å; T491-V494 PolarHBondContact O-N 3.43Å; T491-V494 VanDerWaalsContact OG1-CG2 3.27Å; T491-V494 WeakPolarHBondContact OG1-CG2 3.42Å; T491-I495 PolarHBondContact O-N 2.95Å; T491-I495 VanDerWaalsContact O-N 3.13Å
492	M	80.5	Confident	75.2	Confident	82 Å²	82	74.1 Å²	74.1	40%	0.404	40%	0.4	S	S	.	.	H	α-helix	trans	-54.4	-39.1	179.9	-73	-62.3	-62.5	0	0	112.4	V494 I495 E496 D546 V550	M492-V494 VanDerWaalsContact C-N 3.27Å; M492-V494 PolarHBondContact O-N 2.92Å; M492-I495 WeakPolarHBondContact O-CB 3.25Å; M492-I495 PolarHBondContact O-N 3.01Å; M492-I495 HydrophobicContact SD-CD1 4.06Å; M492-E496 WeakPolarHBondContact O-CG 3.26Å; M492-E496 PolarHBondContact O-N 2.95Å; M492-D546 HydrophobicContact CE-CB 4.4Å; M492-V550 HydrophobicContact SD-CG2 3.82Å
493	S	81.9	Confident	76.5	Confident	71 Å²	71	76.1 Å²	76.1	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-30.5	177.5	-47.6	0	0	0	0	113.5	T491 R497	T491-S493 PolarHBondContact O-N 2.94Å; S493-R497 WeakPolarHBondContact O-CB 3.45Å; S493-R497 PolarHBondContact O-N 3.31Å
494	V	83.5	Confident	77.6	Confident	29 Å²	29	71.7 Å²	71.7	18%	0.176	38%	0.379	C	S	.	.	H	α-helix	trans	-74.4	-42.4	175.2	171.5	0	0	0	0	110.1	A490 T491 M492 E496 R497 N498 D563	A490-V494 HydrophobicContact CB-CB 4.33Å; A490-V494 HydrophobicContact CB-CG1 4.18Å; T491-V494 WeakPolarHBondContact O-CB 3.27Å; T491-V494 PolarHBondContact O-N 3.43Å; T491-V494 VanDerWaalsContact OG1-CG2 3.27Å; T491-V494 WeakPolarHBondContact OG1-CG2 3.42Å; M492-V494 VanDerWaalsContact C-N 3.27Å; M492-V494 PolarHBondContact O-N 2.92Å; V494-E496 PolarHBondContact O-N 3.31Å; V494-R497 PolarHBondContact O-N 3.17Å; V494-N498 WeakPolarHBondContact O-CB 3.31Å; V494-N498 PolarHBondContact O-N 3.13Å; V494-D563 WeakPolarHBondContact CG1-OD1 3.41Å
495	I	86.4	Confident	78.6	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.1	-50.3	176.3	-61.6	167.9	0	0	0	110.2	A490 T491 M492 R497 N498 T499 L549 V550	A490-I495 HydrophobicContact CB-CD1 4.19Å; A490-I495 HydrophobicContact CB-CG1 3.66Å; T491-I495 PolarHBondContact O-N 2.95Å; T491-I495 VanDerWaalsContact O-N 3.13Å; M492-I495 WeakPolarHBondContact O-CB 3.25Å; M492-I495 PolarHBondContact O-N 3.01Å; M492-I495 HydrophobicContact SD-CD1 4.06Å; I495-R497 VanDerWaalsContact C-N 3.34Å; I495-R497 PolarHBondContact O-N 3.19Å; I495-N498 PolarHBondContact O-N 3.46Å; I495-T499 HydrophobicContact CG2-CG2 4.47Å; I495-T499 WeakPolarHBondContact O-CB 3.19Å; I495-T499 WeakPolarHBondContact O-CG2 3.06Å; I495-T499 PolarHBondContact O-N 3.01Å; I495-T499 PolarHBondContact O-OG1 3.23Å; I495-L549 HydrophobicContact CB-CD1 4.47Å; I495-L549 HydrophobicContact CD1-CB 3.5Å; I495-L549 VanDerWaalsContact CD1-CB 3.5Å; I495-L549 HydrophobicContact CD1-CD1 4.48Å; I495-L549 HydrophobicContact CG1-CB 3.79Å; I495-L549 HydrophobicContact CG1-CD1 4.09Å; I495-L549 HydrophobicContact CG2-CD1 3.73Å; I495-V550 HydrophobicContact CD1-CG2 3.96Å
496	E	85.5	Confident	79.3	Confident	115 Å²	115	68.1 Å²	68.1	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-63.7	-36.8	-179.4	-71.7	172.7	177.4	0	0	113	M492 V494 T499	M492-E496 WeakPolarHBondContact O-CG 3.26Å; M492-E496 PolarHBondContact O-N 2.95Å; V494-E496 PolarHBondContact O-N 3.31Å; E496-T499 VanDerWaalsContact O-O 3.12Å
497	R	85.9	Confident	79.7	Confident	167 Å²	167	68.9 Å²	68.9	63%	0.63	38%	0.378	S	S	*	.	H	α-helix	trans	-69.5	-35.8	177.3	-169.7	-177.6	-58	117.9	2	112.6	S493 V494 I495	S493-R497 WeakPolarHBondContact O-CB 3.45Å; S493-R497 PolarHBondContact O-N 3.31Å; V494-R497 PolarHBondContact O-N 3.17Å; I495-R497 VanDerWaalsContact C-N 3.34Å; I495-R497 PolarHBondContact O-N 3.19Å
498	N	84.2	Confident	79.7	Confident	25 Å²	25	71.4 Å²	71.4	13%	0.134	40%	0.396	C	S	.	.	H	α-helix	trans	-97.1	-5.3	-170.9	-68.5	-15.9	0	0	0	113.4	V494 I495 R535 V562 D563	V494-N498 WeakPolarHBondContact O-CB 3.31Å; V494-N498 PolarHBondContact O-N 3.13Å; I495-N498 PolarHBondContact O-N 3.46Å; N498-R535 WeakPolarHBondContact O-CG 3.47Å; N498-R535 PolarHBondContact O-NE 2.74Å; N498-R535 VanDerWaalsContact O-NE 3.13Å; N498-V562 HydrophobicContact CB-CG1 3.49Å; N498-V562 VanDerWaalsContact CB-CG1 3.49Å; N498-V562 WeakPolarHBondContact CB-O 3.49Å; N498-D563 PolarHBondContact ND2-OD1 2.88Å
499	T	86.9	Confident	79	Confident	9 Å²	9	70.6 Å²	70.6	6%	0.055	40%	0.404	C	S	.	.			trans	-131.7	158.2	-178.1	65.7	0	0	0	0	112.1	I495 E496 R532 L534 L549 V562	I495-T499 HydrophobicContact CG2-CG2 4.47Å; I495-T499 WeakPolarHBondContact O-CB 3.19Å; I495-T499 WeakPolarHBondContact O-CG2 3.06Å; I495-T499 PolarHBondContact O-N 3.01Å; I495-T499 PolarHBondContact O-OG1 3.23Å; E496-T499 VanDerWaalsContact O-O 3.12Å; T499-R532 HydrophobicContact CG2-CG 4.4Å; T499-R532 WeakPolarHBondContact OG1-CD 3.37Å; T499-R532 PolarHBondContact OG1-NH1 3.21Å; T499-L534 HydrophobicContact CG2-CD1 4.05Å; T499-L534 HydrophobicContact CG2-CG 3.99Å; T499-L549 HydrophobicContact CG2-CD1 4.47Å; T499-V562 HydrophobicContact CG2-CG1 4.06Å
500	V	87.5	Confident	77.8	Confident	86 Å²	86	74 Å²	74	52%	0.521	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.2	179.1	-179.1	0	0	0	0	109.3	R532 T533	V500-R532 CarbonylContact O-C 3.58Å; V500-R532 WeakPolarHBondContact O-CA 3.43Å; V500-T533 PolarHBondContact N-O 2.83Å; V500-T533 PolarHBondContact O-N 3.25Å
501	C	88.6	Confident	75.9	Confident	71 Å²	71	78.9 Å²	78.9	48%	0.48	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.9	170.9	-64.1	0	0	0	0	110.1	I531 R532	C501-I531 CarbonylContact C-O 3.53Å; C501-I531 WeakPolarHBondContact CA-O 3.43Å; C501-R532 PolarHBondContact SG-NH1 3.11Å
502	S	84.9	Confident	74	Confident	54 Å²	54	81.4 Å²	81.4	38%	0.378	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	164.5	174.7	59	0	0	0	0	110.4	I531	S502-I531 PolarHBondContact N-O 2.86Å; S502-I531 PolarHBondContact O-N 3.45Å
503	R	86.6	Confident	72.4	Confident	155 Å²	155	80.8 Å²	80.8	59%	0.585	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.9	168.3	-69.6	-175.8	-179.8	143.4	2.5	109	V505 D529	R503-V505 PolarHBondContact O-N 3.42Å; R503-D529 CarbonylContact C-O 3.4Å; R503-D529 WeakPolarHBondContact CA-O 3.4Å
504	F	83	Confident	71	Confident	37 Å²	37	84 Å²	84	16%	0.162	48%	0.477	C	S	.	.			trans	-68.3	119.7	173.3	-170.3	-118.7	0	0	0	110.1	P506 F525 E526 D528 D529 I531	F504-P506 HydrophobicContact CE1-CB 3.95Å; F504-P506 HydrophobicContact CZ-CB 4.49Å; F504-F525 HydrophobicContact CB-CB 4.49Å; F504-F525 HydrophobicContact CD1-CB 3.65Å; F504-F525 HydrophobicContact CD2-CB 4.04Å; F504-F525 HydrophobicContact CE1-CB 3.71Å; F504-F525 VanDerWaalsContact CE1-O 3.29Å; F504-F525 WeakPolarHBondContact CE1-O 3.36Å; F504-F525 HydrophobicContact CE2-CB 4.1Å; F504-F525 HydrophobicContact CE2-CD2 4.46Å; F504-F525 HydrophobicContact CG-CB 3.8Å; F504-F525 HydrophobicContact CZ-CB 3.94Å; F504-E526 VanDerWaalsContact CD1-O 3.31Å; F504-E526 WeakPolarHBondContact CD1-O 2.98Å; F504-D528 PolarHBondContact O-N 3.43Å; F504-D529 HydrophobicContact CB-CB 4.35Å; F504-D529 PolarHBondContact N-O 3.24Å; F504-I531 HydrophobicContact CB-CD1 3.43Å; F504-I531 VanDerWaalsContact CB-CD1 3.43Å; F504-I531 HydrophobicContact CB-CG1 4.01Å; F504-I531 HydrophobicContact CD2-CD1 3.33Å; F504-I531 HydrophobicContact CE2-CD1 4.29Å; F504-I531 HydrophobicContact CG-CD1 3.62Å
505	V	77.4	Confident	69.9	Low	92 Å²	92	88.2 Å²	88.2	56%	0.558	50%	0.495	S	S	*	.			trans	-111.4	109.1	168.7	-177.3	0	0	0	0	106.5	R503 S507	R503-V505 PolarHBondContact O-N 3.42Å; V505-S507 PolarHBondContact O-N 2.73Å; V505-S507 PolarHBondContact O-OG 3.01Å
506	P	70.7	Confident	69.3	Low	58 Å²	58	92.4 Å²	92.4	38%	0.377	52%	0.518	S	S	.	.			trans	-62.2	100.8	177	23	-30.1	0	0	0	108.2	F504 S508 R527	F504-P506 HydrophobicContact CE1-CB 3.95Å; F504-P506 HydrophobicContact CZ-CB 4.49Å; P506-S508 PolarHBondContact O-N 2.9Å; P506-R527 HydrophobicContact CG-CB 3.98Å; P506-R527 HydrophobicContact CG-CG 4.14Å
507	S	63.2	Low	69.3	Low	74 Å²	74	91.3 Å²	91.3	52%	0.517	51%	0.511	S	S	.	.			trans	-103.7	74.4	-167.7	-64.1	0	0	0	0	110.2	V505	V505-S507 PolarHBondContact O-N 2.73Å; V505-S507 PolarHBondContact O-OG 3.01Å
508	S	55	Low	69.5	Low	103 Å²	103	83.3 Å²	83.3	72%	0.72	48%	0.481	S	S	*	.	S	Bend	trans	59	160	176.4	77.3	0	0	0	0	114	P506 L510	P506-S508 PolarHBondContact O-N 2.9Å; S508-L510 PolarHBondContact O-N 3.45Å
509	P	51	Low	69.6	Low	129 Å²	129	84.2 Å²	84.2	84%	0.838	49%	0.489	S	S	*	.			trans	-70.1	101.8	-170.9	27.6	-30.5	0	0	0	109.8
510	L	48.6	Very low	69.6	Low	102 Å²	102	84.3 Å²	84.3	53%	0.534	49%	0.489	S	S	.	.			trans	-63	135.1	164.3	-84.2	91.9	0	0	0	108	S508	S508-L510 PolarHBondContact O-N 3.45Å
511	P	38.9	Very low	69.7	Low	108 Å²	108	81.8 Å²	81.8	70%	0.701	48%	0.475	S	S	*	.	S	Bend	trans	-68	138.3	171.2	29.7	-30.3	0	0	0	108.4
512	D	43	Very low	69.7	Low	142 Å²	142	83.8 Å²	83.8	76%	0.759	48%	0.48	S	S	*	.	S	Bend	trans	83.9	60.1	166.6	-47.4	-32.3	0	0	0	117.7	E514	D512-E514 VanDerWaalsContact C-N 3.31Å; D512-E514 PolarHBondContact O-N 2.85Å
513	G	47.5	Very low	69.7	Low	70 Å²	70	86.4 Å²	86.4	72%	0.722	49%	0.49	S	S	*	.	S	Bend		64.7	-7.4	118.8	0	0	0	0	0	122.3
514	E	51.5	Low	69.7	Low	137 Å²	137	86.5 Å²	86.5	64%	0.64	50%	0.497	S	S	*	.	S	Bend	trans	-122.1	-16.5	-171	-51.9	-72	179.5	0	0	114.2	D512 K517	D512-E514 VanDerWaalsContact C-N 3.31Å; D512-E514 PolarHBondContact O-N 2.85Å; E514-K517 IonicContact OE2-NZ 3.4Å; E514-K517 PolarHBondContact OE2-NZ 3.18Å; E514-K517 VanDerWaalsContact OE2-NZ 3.13Å
515	E	62.1	Low	69.9	Low	119 Å²	119	85.5 Å²	85.5	56%	0.556	49%	0.492	S	S	*	.	S	Bend	trans	-96.6	-14.6	-163.8	-56.6	-169	177	0	0	114.9	K517	E515-K517 VanDerWaalsContact C-N 3.34Å; E515-K517 PolarHBondContact O-N 3.23Å
516	D	73.1	Confident	70.1	Confident	87 Å²	87	87.7 Å²	87.7	47%	0.465	50%	0.497	S	S	.	.	S	Bend	trans	-90.1	8.1	-173.5	-66.9	-29.2	0	0	0	114.1	E524 F525	D516-E524 CarbonylContact O-C 3.47Å; D516-E524 VanDerWaalsContact O-CA 3.23Å; D516-E524 WeakPolarHBondContact O-CA 3.35Å; D516-F525 WeakPolarHBondContact O-CD2 3.08Å; D516-F525 PolarHBondContact O-N 2.81Å
517	K	85.1	Confident	70.7	Confident	92 Å²	92	93.8 Å²	93.8	40%	0.4	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-125.4	139.5	-178.3	70.4	-163	175.2	-142.4	0	112.5	E514 E515 S519 L523 F525	E514-K517 IonicContact OE2-NZ 3.4Å; E514-K517 PolarHBondContact OE2-NZ 3.18Å; E514-K517 VanDerWaalsContact OE2-NZ 3.13Å; E515-K517 VanDerWaalsContact C-N 3.34Å; E515-K517 PolarHBondContact O-N 3.23Å; K517-S519 PolarHBondContact O-N 2.73Å; K517-L523 CarbonylContact C-O 3.57Å; K517-L523 WeakPolarHBondContact CA-O 3.44Å; K517-F525 VanDerWaalsContact C-CE2 3.48Å
518	C	89.7	Confident	71.5	Confident	0 Å²	0	95.1 Å²	95.1	0%	0	51%	0.514	C	S	.	.			trans	-75.7	116.5	174	-179.2	0	0	0	0	110.3	I520 C521 L522 L523 F525 H541	C518-I520 PolarHBondContact O-N 2.93Å; C518-C521 WeakPolarHBondContact CB-SG 3.46Å; C518-C521 PolarHBondContact O-N 2.67Å; C518-C521 VanDerWaalsContact SG-SG 3.69Å; C518-L522 WeakPolarHBondContact O-CA 3.47Å; C518-L522 PolarHBondContact O-N 2.85Å; C518-L523 PolarHBondContact N-O 3.21Å; C518-F525 HydrophobicContact CB-CD1 4.49Å; C518-F525 HydrophobicContact CB-CE1 3.63Å; C518-F525 HydrophobicContact CB-CZ 3.74Å; C518-H541 WeakPolarHBondContact CB-ND1 3.43Å
519	S	87.5	Confident	73	Confident	44 Å²	44	92.4 Å²	92.4	31%	0.308	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.6	-178.1	80.4	0	0	0	0	114.9	K517 F540	K517-S519 PolarHBondContact O-N 2.73Å; S519-F540 WeakPolarHBondContact OG-CE1 3.33Å
520	I	86.6	Confident	74.9	Confident	10 Å²	10	89 Å²	89	5%	0.051	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-53.2	-177.7	-62.1	175.3	0	0	0	110.2	R113 C518 F540 C544 I545 W548 P556	R113-I520 PolarHBondContact NE-O 3.38Å; R113-I520 VanDerWaalsContact NH2-C 3.33Å; R113-I520 VanDerWaalsContact NH2-CG2 3.33Å; R113-I520 PolarHBondContact NH2-O 3.05Å; C518-I520 PolarHBondContact O-N 2.93Å; I520-F540 HydrophobicContact CD1-CB 4.24Å; I520-F540 HydrophobicContact CD1-CD1 3.83Å; I520-F540 HydrophobicContact CD1-CG 4.02Å; I520-F540 HydrophobicContact CG1-CD1 3.92Å; I520-F540 HydrophobicContact CG1-CE1 4.4Å; I520-C544 HydrophobicContact CB-CB 3.9Å; I520-C544 HydrophobicContact CD1-CB 4.1Å; I520-C544 HydrophobicContact CG2-CB 3.66Å; I520-I545 HydrophobicContact CD1-CB 4.03Å; I520-I545 HydrophobicContact CD1-CD1 3.86Å; I520-W548 HydrophobicContact CD1-CB 4.18Å; I520-P556 HydrophobicContact CD1-CG 4.07Å; I520-P556 HydrophobicContact CG1-CG 4.05Å
521	C	89.9	Confident	76.9	Confident	34 Å²	34	84.3 Å²	84.3	23%	0.23	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.9	177	57.6	0	0	0	0	114.3	C518 L523 H541	C518-C521 WeakPolarHBondContact CB-SG 3.46Å; C518-C521 PolarHBondContact O-N 2.67Å; C518-C521 VanDerWaalsContact SG-SG 3.69Å; C521-L523 HydrophobicContact CB-CD1 4.27Å; C521-L523 HydrophobicContact CB-CG 4.18Å; C521-L523 PolarHBondContact O-N 2.95Å; C521-H541 VanDerWaalsContact SG-CE1 3.58Å; C521-H541 PolarHBondContact SG-ND1 2.83Å
522	L	87.5	Confident	79.3	Confident	112 Å²	112	79.6 Å²	79.6	59%	0.586	41%	0.414	S	S	*	.			trans	58.5	21.7	-174.8	-51.4	175.9	0	0	0	113.6	C518	C518-L522 WeakPolarHBondContact O-CA 3.47Å; C518-L522 PolarHBondContact O-N 2.85Å
523	L	86.5	Confident	81.5	Confident	110 Å²	110	74.1 Å²	74.1	58%	0.576	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-96.2	143.9	175.3	-60.6	175.7	0	0	0	110.1	K517 C518 C521	K517-L523 CarbonylContact C-O 3.57Å; K517-L523 WeakPolarHBondContact CA-O 3.44Å; C518-L523 PolarHBondContact N-O 3.21Å; C521-L523 HydrophobicContact CB-CD1 4.27Å; C521-L523 HydrophobicContact CB-CG 4.18Å; C521-L523 PolarHBondContact O-N 2.95Å
524	E	86.2	Confident	83.5	Confident	157 Å²	157	71 Å²	71	73%	0.734	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-64.4	147.1	169.6	-66.9	172.5	-171.3	0	0	110.3	D516	D516-E524 CarbonylContact O-C 3.47Å; D516-E524 VanDerWaalsContact O-CA 3.23Å; D516-E524 WeakPolarHBondContact O-CA 3.35Å
525	F	87.2	Confident	85.1	Confident	15 Å²	15	72.6 Å²	72.6	7%	0.066	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-77.5	125.9	176.7	-62.5	-65.3	0	0	0	110.2	F504 D516 K517 C518 I531 F539 H541	F504-F525 HydrophobicContact CB-CB 4.49Å; F504-F525 HydrophobicContact CD1-CB 3.65Å; F504-F525 HydrophobicContact CD2-CB 4.04Å; F504-F525 HydrophobicContact CE1-CB 3.71Å; F504-F525 VanDerWaalsContact CE1-O 3.29Å; F504-F525 WeakPolarHBondContact CE1-O 3.36Å; F504-F525 HydrophobicContact CE2-CB 4.1Å; F504-F525 HydrophobicContact CE2-CD2 4.46Å; F504-F525 HydrophobicContact CG-CB 3.8Å; F504-F525 HydrophobicContact CZ-CB 3.94Å; D516-F525 WeakPolarHBondContact O-CD2 3.08Å; D516-F525 PolarHBondContact O-N 2.81Å; K517-F525 VanDerWaalsContact C-CE2 3.48Å; C518-F525 HydrophobicContact CB-CD1 4.49Å; C518-F525 HydrophobicContact CB-CE1 3.63Å; C518-F525 HydrophobicContact CB-CZ 3.74Å; F525-I531 HydrophobicContact CB-CD1 4.04Å; F525-I531 HydrophobicContact CD1-CD1 3.47Å; F525-I531 VanDerWaalsContact CD1-CD1 3.47Å; F525-I531 HydrophobicContact CD1-CG1 3.79Å; F525-I531 HydrophobicContact CD2-CD1 4.04Å; F525-I531 HydrophobicContact CE1-CD1 3.83Å; F525-I531 HydrophobicContact CE1-CG1 3.98Å; F525-I531 HydrophobicContact CE2-CD1 4.39Å; F525-I531 HydrophobicContact CG-CD1 3.59Å; F525-I531 HydrophobicContact CG-CG1 4.4Å; F525-I531 HydrophobicContact CZ-CD1 4.29Å; F525-F539 HydrophobicContact CE2-CB 4.23Å; F525-F539 HydrophobicContact CZ-CB 4.14Å; F525-H541 AromaticContact CD1-CD2 3.84Å; F525-H541 AromaticContact CD1-CE1 3.78Å; F525-H541 AromaticContact CD1-NE2 3.39Å; F525-H541 WeakPolarHBondContact CD1-NE2 3.37Å; F525-H541 AromaticContact CE1-CE1 3.92Å; F525-H541 AromaticContact CE1-NE2 3.86Å
526	E	82.4	Confident	86.3	Confident	139 Å²	139	68.4 Å²	68.4	65%	0.65	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-89	156.7	174.2	-64.9	-176	-172.6	0	0	111.3	F504 D528 D529	F504-E526 VanDerWaalsContact CD1-O 3.31Å; F504-E526 WeakPolarHBondContact CD1-O 2.98Å; E526-D528 PolarHBondContact O-N 2.59Å; E526-D529 WeakPolarHBondContact CB-OD2 3.45Å; E526-D529 PolarHBondContact N-OD2 3.15Å; E526-D529 VanDerWaalsContact O-CB 3.25Å; E526-D529 WeakPolarHBondContact O-CB 3.19Å; E526-D529 PolarHBondContact O-N 3.02Å
527	R	81.5	Confident	86.9	Confident	185 Å²	185	70.1 Å²	70.1	70%	0.698	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	134.8	175.5	-176.6	-178	-63.9	161.7	1.6	109.7	P506 D529	P506-R527 HydrophobicContact CG-CB 3.98Å; P506-R527 HydrophobicContact CG-CG 4.14Å; R527-D529 PolarHBondContact O-N 3.29Å
528	D	81.6	Confident	87.1	Confident	103 Å²	103	68.4 Å²	68.4	55%	0.551	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	8	-177.3	-61.4	-54.3	0	0	0	115.5	F504 E526	F504-D528 PolarHBondContact O-N 3.43Å; E526-D528 PolarHBondContact O-N 2.59Å
529	D	86.9	Confident	87	Confident	45 Å²	45	72.6 Å²	72.6	24%	0.241	36%	0.357	C	S	.	.			trans	-61.8	141	172.6	-87.9	-21.1	0	0	0	111.9	R503 F504 E526 R527 I531 H541	R503-D529 CarbonylContact C-O 3.4Å; R503-D529 WeakPolarHBondContact CA-O 3.4Å; F504-D529 HydrophobicContact CB-CB 4.35Å; F504-D529 PolarHBondContact N-O 3.24Å; E526-D529 WeakPolarHBondContact CB-OD2 3.45Å; E526-D529 PolarHBondContact N-OD2 3.15Å; E526-D529 VanDerWaalsContact O-CB 3.25Å; E526-D529 WeakPolarHBondContact O-CB 3.19Å; E526-D529 PolarHBondContact O-N 3.02Å; R527-D529 PolarHBondContact O-N 3.29Å; D529-I531 PolarHBondContact O-N 2.75Å; D529-I531 VanDerWaalsContact O-N 3.13Å; D529-H541 IonicContact OD2-CD2 3.13Å; D529-H541 IonicContact OD2-NE2 3.97Å; D529-H541 PolarHBondContact OD2-NE2 2.08Å
530	S	89.9	Confident	87.2	Confident	58 Å²	58	70.6 Å²	70.6	41%	0.406	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	104.6	175.2	64.3	0	0	0	0	109.6	H541 V542	S530-H541 WeakPolarHBondContact O-CA 3.07Å; S530-V542 WeakPolarHBondContact O-CG2 3.48Å; S530-V542 PolarHBondContact O-N 3.13Å
531	I	90.7	Very high	87.4	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.015	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.5	176.6	-64.3	-174.5	0	0	0	109.4	C501 S502 F504 F525 D529 F539 F540	C501-I531 CarbonylContact C-O 3.53Å; C501-I531 WeakPolarHBondContact CA-O 3.43Å; S502-I531 PolarHBondContact N-O 2.86Å; S502-I531 PolarHBondContact O-N 3.45Å; F504-I531 HydrophobicContact CB-CD1 3.43Å; F504-I531 VanDerWaalsContact CB-CD1 3.43Å; F504-I531 HydrophobicContact CB-CG1 4.01Å; F504-I531 HydrophobicContact CD2-CD1 3.33Å; F504-I531 HydrophobicContact CE2-CD1 4.29Å; F504-I531 HydrophobicContact CG-CD1 3.62Å; F525-I531 HydrophobicContact CB-CD1 4.04Å; F525-I531 HydrophobicContact CD1-CD1 3.47Å; F525-I531 VanDerWaalsContact CD1-CD1 3.47Å; F525-I531 HydrophobicContact CD1-CG1 3.79Å; F525-I531 HydrophobicContact CD2-CD1 4.04Å; F525-I531 HydrophobicContact CE1-CD1 3.83Å; F525-I531 HydrophobicContact CE1-CG1 3.98Å; F525-I531 HydrophobicContact CE2-CD1 4.39Å; F525-I531 HydrophobicContact CG-CD1 3.59Å; F525-I531 HydrophobicContact CG-CG1 4.4Å; F525-I531 HydrophobicContact CZ-CD1 4.29Å; D529-I531 PolarHBondContact O-N 2.75Å; D529-I531 VanDerWaalsContact O-N 3.13Å; I531-F539 HydrophobicContact CG2-CB 3.88Å; I531-F539 HydrophobicContact CG2-CD1 4.01Å; I531-F539 HydrophobicContact CG2-CG 4.44Å; I531-F540 CarbonylContact C-O 3.56Å; I531-F540 VanDerWaalsContact CA-O 3.31Å; I531-F540 WeakPolarHBondContact CA-O 3.44Å
532	R	89.9	Confident	87.5	Confident	9 Å²	9	70.8 Å²	70.8	3%	0.034	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.1	169.4	-172	-175.8	-68.8	-82.4	5.7	108.8	T499 V500 C501 F540 V542 I545 D546	T499-R532 HydrophobicContact CG2-CG 4.4Å; T499-R532 WeakPolarHBondContact OG1-CD 3.37Å; T499-R532 PolarHBondContact OG1-NH1 3.21Å; V500-R532 CarbonylContact O-C 3.58Å; V500-R532 WeakPolarHBondContact O-CA 3.43Å; C501-R532 PolarHBondContact SG-NH1 3.11Å; R532-F540 PolarHBondContact N-O 3.2Å; R532-F540 PolarHBondContact O-N 2.89Å; R532-V542 HydrophobicContact CB-CG2 3.97Å; R532-I545 HydrophobicContact CB-CG2 3.78Å; R532-I545 HydrophobicContact CG-CG2 4.22Å; R532-D546 IonicContact CZ-OD1 2.67Å; R532-D546 IonicContact CZ-OD2 3.89Å; R532-D546 IonicContact NE-OD1 2.75Å; R532-D546 PolarHBondContact NE-OD1 3.05Å; R532-D546 IonicContact NE-OD2 3.05Å; R532-D546 IonicContact NH2-OD1 3.72Å; R532-D546 PolarHBondContact NH2-OD1 2.81Å; R532-D546 IonicContact NH2-OD2 3.17Å; R532-D546 PolarHBondContact NH2-OD2 3.41Å
533	T	88.9	Confident	87.6	Confident	27 Å²	27	75 Å²	75	17%	0.166	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.1	176	-51.4	0	0	0	0	108.8	V500 F539	V500-T533 PolarHBondContact N-O 2.83Å; V500-T533 PolarHBondContact O-N 3.25Å; T533-F539 HydrophobicContact CG2-CD1 4.16Å; T533-F539 HydrophobicContact CG2-CE1 3.91Å; T533-F539 WeakPolarHBondContact OG1-CD1 3.43Å; T533-F539 WeakPolarHBondContact OG1-CE1 3.32Å
534	L	89.1	Confident	87.9	Confident	6 Å²	6	70.8 Å²	70.8	3%	0.031	33%	0.329	C	S	.	.			trans	-80.5	164.5	173	-88.6	66.1	0	0	0	110.6	T499 C536 N537 H538 F540 I545 C555 V562	T499-L534 HydrophobicContact CG2-CD1 4.05Å; T499-L534 HydrophobicContact CG2-CG 3.99Å; L534-C536 VanDerWaalsContact CB-SG 3.55Å; L534-C536 PolarHBondContact O-N 3.17Å; L534-C536 VanDerWaalsContact O-N 3.1Å; L534-N537 PolarHBondContact O-N 3.34Å; L534-H538 PolarHBondContact N-O 3.24Å; L534-F540 HydrophobicContact CD1-CD2 4.05Å; L534-F540 HydrophobicContact CD1-CE2 4.22Å; L534-I545 HydrophobicContact CD1-CD1 4.19Å; L534-I545 HydrophobicContact CD1-CG1 3.71Å; L534-I545 HydrophobicContact CD2-CD1 4.46Å; L534-C555 HydrophobicContact CD2-CB 3.82Å; L534-V562 HydrophobicContact CD2-CG2 3.71Å; L534-V562 HydrophobicContact CG-CG2 4.23Å
535	R	85.5	Confident	88.1	Confident	170 Å²	170	63.3 Å²	63.3	64%	0.642	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25	173.4	-62.7	-65.3	176.7	164.6	0.9	114	N498 N537	N498-R535 WeakPolarHBondContact O-CG 3.47Å; N498-R535 PolarHBondContact O-NE 2.74Å; N498-R535 VanDerWaalsContact O-NE 3.13Å; R535-N537 PolarHBondContact O-N 2.82Å
536	C	87.8	Confident	88.2	Confident	31 Å²	31	63.6 Å²	63.6	21%	0.209	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	10.1	174.2	58.7	0	0	0	0	114.2	L534 H538 C558 L560	L534-C536 VanDerWaalsContact CB-SG 3.55Å; L534-C536 PolarHBondContact O-N 3.17Å; L534-C536 VanDerWaalsContact O-N 3.1Å; C536-H538 PolarHBondContact O-N 3.42Å; C536-H538 PolarHBondContact O-ND1 3.49Å; C536-H538 PolarHBondContact SG-ND1 2.97Å; C536-C558 VanDerWaalsContact CB-SG 3.52Å; C536-L560 HydrophobicContact CB-CD1 4.01Å
537	N	85.3	Confident	88.6	Confident	122 Å²	122	64.7 Å²	64.7	65%	0.652	29%	0.294	S	S	*	.			trans	62.7	17.3	179.3	-56.9	-28	0	0	0	116	L534 R535	L534-N537 PolarHBondContact O-N 3.34Å; R535-N537 PolarHBondContact O-N 2.82Å
538	H	88	Confident	89	Confident	56 Å²	56	58.7 Å²	58.7	26%	0.259	27%	0.272	S	S	.	.			trans	-87.5	140.4	172.5	-64.1	104	0	0	0	111.7	L534 C536 F540 V557	L534-H538 PolarHBondContact N-O 3.24Å; C536-H538 PolarHBondContact O-N 3.42Å; C536-H538 PolarHBondContact O-ND1 3.49Å; C536-H538 PolarHBondContact SG-ND1 2.97Å; H538-F540 HydrophobicContact CB-CE2 3.59Å; H538-F540 HydrophobicContact CB-CZ 3.6Å; H538-V557 VanDerWaalsContact CD2-CG1 3.49Å; H538-V557 WeakPolarHBondContact CD2-CG1 3.2Å; H538-V557 WeakPolarHBondContact NE2-CG1 3.31Å
539	F	88.7	Confident	89.3	Confident	89 Å²	89	53.8 Å²	53.8	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.6	-176.9	-54.1	-79.1	0	0	0	112.2	F525 I531 T533	F525-F539 HydrophobicContact CE2-CB 4.23Å; F525-F539 HydrophobicContact CZ-CB 4.14Å; I531-F539 HydrophobicContact CG2-CB 3.88Å; I531-F539 HydrophobicContact CG2-CD1 4.01Å; I531-F539 HydrophobicContact CG2-CG 4.44Å; T533-F539 HydrophobicContact CG2-CD1 4.16Å; T533-F539 HydrophobicContact CG2-CE1 3.91Å; T533-F539 WeakPolarHBondContact OG1-CD1 3.43Å; T533-F539 WeakPolarHBondContact OG1-CE1 3.32Å
540	F	91.5	Very high	89.3	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.2	175	-51	-75.4	0	0	0	111.1	S519 I520 I531 R532 L534 H538 V542 I545 P556 V557	S519-F540 WeakPolarHBondContact OG-CE1 3.33Å; I520-F540 HydrophobicContact CD1-CB 4.24Å; I520-F540 HydrophobicContact CD1-CD1 3.83Å; I520-F540 HydrophobicContact CD1-CG 4.02Å; I520-F540 HydrophobicContact CG1-CD1 3.92Å; I520-F540 HydrophobicContact CG1-CE1 4.4Å; I531-F540 CarbonylContact C-O 3.56Å; I531-F540 VanDerWaalsContact CA-O 3.31Å; I531-F540 WeakPolarHBondContact CA-O 3.44Å; R532-F540 PolarHBondContact N-O 3.2Å; R532-F540 PolarHBondContact O-N 2.89Å; L534-F540 HydrophobicContact CD1-CD2 4.05Å; L534-F540 HydrophobicContact CD1-CE2 4.22Å; H538-F540 HydrophobicContact CB-CE2 3.59Å; H538-F540 HydrophobicContact CB-CZ 3.6Å; F540-V542 PolarHBondContact O-N 2.79Å; F540-I545 HydrophobicContact CB-CB 3.71Å; F540-I545 HydrophobicContact CB-CG1 4.34Å; F540-I545 HydrophobicContact CB-CG2 4.1Å; F540-I545 HydrophobicContact CD2-CB 4.15Å; F540-I545 HydrophobicContact CD2-CD1 3.71Å; F540-I545 HydrophobicContact CD2-CG1 3.83Å; F540-I545 HydrophobicContact CE2-CD1 4.03Å; F540-I545 HydrophobicContact CG-CB 4.13Å; F540-I545 HydrophobicContact CG-CD1 4.17Å; F540-I545 HydrophobicContact CG-CG1 4.28Å; F540-P556 HydrophobicContact CD1-CG 4.48Å; F540-P556 HydrophobicContact CE1-CG 3.8Å; F540-P556 HydrophobicContact CE2-CG 4.28Å; F540-P556 HydrophobicContact CZ-CG 3.66Å; F540-V557 HydrophobicContact CE1-CG2 3.8Å; F540-V557 HydrophobicContact CZ-CB 4.48Å; F540-V557 HydrophobicContact CZ-CG2 3.62Å
541	H	91.7	Very high	89	Confident	22 Å²	22	55.6 Å²	55.6	10%	0.102	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	133.3	167	-63.7	112.3	0	0	0	110.2	C518 C521 F525 D529 S530 R543 C544 I545	C518-H541 WeakPolarHBondContact CB-ND1 3.43Å; C521-H541 VanDerWaalsContact SG-CE1 3.58Å; C521-H541 PolarHBondContact SG-ND1 2.83Å; F525-H541 AromaticContact CD1-CD2 3.84Å; F525-H541 AromaticContact CD1-CE1 3.78Å; F525-H541 AromaticContact CD1-NE2 3.39Å; F525-H541 WeakPolarHBondContact CD1-NE2 3.37Å; F525-H541 AromaticContact CE1-CE1 3.92Å; F525-H541 AromaticContact CE1-NE2 3.86Å; D529-H541 IonicContact OD2-CD2 3.13Å; D529-H541 IonicContact OD2-NE2 3.97Å; D529-H541 PolarHBondContact OD2-NE2 2.08Å; S530-H541 WeakPolarHBondContact O-CA 3.07Å; H541-R543 PolarHBondContact O-N 2.85Å; H541-C544 HydrophobicContact CB-CB 3.95Å; H541-C544 WeakPolarHBondContact O-CA 3.48Å; H541-C544 WeakPolarHBondContact O-CB 3.39Å; H541-C544 PolarHBondContact O-N 2.87Å; H541-I545 WeakPolarHBondContact O-CG2 3.19Å; H541-I545 PolarHBondContact O-N 3.24Å
542	V	91.1	Very high	88.7	Confident	25 Å²	25	57 Å²	57	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-46.2	-50.8	177.2	172	0	0	0	0	110.8	S530 R532 F540 C544 I545 D546	S530-V542 WeakPolarHBondContact O-CG2 3.48Å; S530-V542 PolarHBondContact O-N 3.13Å; R532-V542 HydrophobicContact CB-CG2 3.97Å; F540-V542 PolarHBondContact O-N 2.79Å; V542-C544 VanDerWaalsContact C-N 3.27Å; V542-C544 PolarHBondContact O-N 3.2Å; V542-I545 PolarHBondContact O-N 3.05Å; V542-D546 VanDerWaalsContact CG1-OD2 3.25Å; V542-D546 WeakPolarHBondContact CG1-OD2 3.28Å; V542-D546 VanDerWaalsContact O-CB 3.26Å; V542-D546 WeakPolarHBondContact O-CB 3.36Å; V542-D546 PolarHBondContact O-N 2.82Å
543	R	90.4	Very high	88.5	Confident	202 Å²	202	59 Å²	59	76%	0.762	27%	0.268	S	S	*	.	H	α-helix	trans	-61.5	-31.7	179.3	-60.9	-174.7	71	-173.7	3.1	114.2	H541	H541-R543 PolarHBondContact O-N 2.85Å
544	C	91.6	Very high	88.4	Confident	20 Å²	20	61.2 Å²	61.2	14%	0.135	28%	0.275	C	S	.	.	H	α-helix	trans	-78.9	-46.7	-177.1	-74.9	0	0	0	0	111.3	I520 H541 V542 W548	I520-C544 HydrophobicContact CB-CB 3.9Å; I520-C544 HydrophobicContact CD1-CB 4.1Å; I520-C544 HydrophobicContact CG2-CB 3.66Å; H541-C544 HydrophobicContact CB-CB 3.95Å; H541-C544 WeakPolarHBondContact O-CA 3.48Å; H541-C544 WeakPolarHBondContact O-CB 3.39Å; H541-C544 PolarHBondContact O-N 2.87Å; V542-C544 VanDerWaalsContact C-N 3.27Å; V542-C544 PolarHBondContact O-N 3.2Å; C544-W548 PolarHBondContact O-N 3.33Å
545	I	90.4	Very high	88.4	Confident	0 Å²	0	61 Å²	61	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-77.7	-32.3	-177.6	-170	61.3	0	0	0	112.3	I520 R532 L534 F540 H541 V542 R547 W548 L549 P556	I520-I545 HydrophobicContact CD1-CB 4.03Å; I520-I545 HydrophobicContact CD1-CD1 3.86Å; R532-I545 HydrophobicContact CB-CG2 3.78Å; R532-I545 HydrophobicContact CG-CG2 4.22Å; L534-I545 HydrophobicContact CD1-CD1 4.19Å; L534-I545 HydrophobicContact CD1-CG1 3.71Å; L534-I545 HydrophobicContact CD2-CD1 4.46Å; F540-I545 HydrophobicContact CB-CB 3.71Å; F540-I545 HydrophobicContact CB-CG1 4.34Å; F540-I545 HydrophobicContact CB-CG2 4.1Å; F540-I545 HydrophobicContact CD2-CB 4.15Å; F540-I545 HydrophobicContact CD2-CD1 3.71Å; F540-I545 HydrophobicContact CD2-CG1 3.83Å; F540-I545 HydrophobicContact CE2-CD1 4.03Å; F540-I545 HydrophobicContact CG-CB 4.13Å; F540-I545 HydrophobicContact CG-CD1 4.17Å; F540-I545 HydrophobicContact CG-CG1 4.28Å; H541-I545 WeakPolarHBondContact O-CG2 3.19Å; H541-I545 PolarHBondContact O-N 3.24Å; V542-I545 PolarHBondContact O-N 3.05Å; I545-R547 VanDerWaalsContact C-N 3.31Å; I545-R547 PolarHBondContact O-N 3.13Å; I545-W548 HydrophobicContact CD1-CB 4.3Å; I545-W548 HydrophobicContact CD1-CG 4.41Å; I545-W548 CarbonylContact O-C 3.57Å; I545-W548 WeakPolarHBondContact O-CA 3.15Å; I545-W548 WeakPolarHBondContact O-CB 3.18Å; I545-W548 PolarHBondContact O-N 2.81Å; I545-W548 VanDerWaalsContact O-N 3.07Å; I545-L549 HydrophobicContact CD1-CD1 4.3Å; I545-L549 HydrophobicContact CD1-CD2 4.35Å; I545-L549 HydrophobicContact CD1-CG 3.99Å; I545-L549 HydrophobicContact CG1-CD1 3.82Å; I545-L549 HydrophobicContact CG1-CG 3.97Å; I545-L549 WeakPolarHBondContact O-CB 3.49Å; I545-L549 WeakPolarHBondContact O-CG 3.2Å; I545-L549 PolarHBondContact O-N 3.28Å; I545-P556 HydrophobicContact CD1-CG 4.24Å
546	D	90.7	Very high	88.5	Confident	22 Å²	22	54.7 Å²	54.7	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-43.7	176.2	-68.9	-3.1	0	0	0	110.3	M492 R532 V542 W548 L549 V550	M492-D546 HydrophobicContact CE-CB 4.4Å; R532-D546 IonicContact CZ-OD1 2.67Å; R532-D546 IonicContact CZ-OD2 3.89Å; R532-D546 IonicContact NE-OD1 2.75Å; R532-D546 PolarHBondContact NE-OD1 3.05Å; R532-D546 IonicContact NE-OD2 3.05Å; R532-D546 IonicContact NH2-OD1 3.72Å; R532-D546 PolarHBondContact NH2-OD1 2.81Å; R532-D546 IonicContact NH2-OD2 3.17Å; R532-D546 PolarHBondContact NH2-OD2 3.41Å; V542-D546 VanDerWaalsContact CG1-OD2 3.25Å; V542-D546 WeakPolarHBondContact CG1-OD2 3.28Å; V542-D546 VanDerWaalsContact O-CB 3.26Å; V542-D546 WeakPolarHBondContact O-CB 3.36Å; V542-D546 PolarHBondContact O-N 2.82Å; D546-W548 VanDerWaalsContact C-N 3.27Å; D546-W548 PolarHBondContact O-N 3.41Å; D546-L549 PolarHBondContact O-N 3.23Å; D546-V550 WeakPolarHBondContact O-CB 3.43Å; D546-V550 WeakPolarHBondContact O-CG2 3.39Å; D546-V550 PolarHBondContact O-N 3.38Å
547	R	89.1	Confident	88.4	Confident	161 Å²	161	56.6 Å²	56.6	61%	0.608	27%	0.266	S	S	*	.	H	α-helix	trans	-62.5	-36	174.3	-172.4	180	-59.9	-97.4	-4.1	112.4	I545	I545-R547 VanDerWaalsContact C-N 3.31Å; I545-R547 PolarHBondContact O-N 3.13Å
548	W	90	Very high	88.6	Confident	60 Å²	60	53 Å²	53	23%	0.227	25%	0.25	C	C	.	.	H	α-helix	trans	-69.9	-49	177	177.1	-87.9	0	0	0	111.2	I520 C544 I545 D546 V550 I551 N552 K554 P556	I520-W548 HydrophobicContact CD1-CB 4.18Å; C544-W548 PolarHBondContact O-N 3.33Å; I545-W548 HydrophobicContact CD1-CB 4.3Å; I545-W548 HydrophobicContact CD1-CG 4.41Å; I545-W548 CarbonylContact O-C 3.57Å; I545-W548 WeakPolarHBondContact O-CA 3.15Å; I545-W548 WeakPolarHBondContact O-CB 3.18Å; I545-W548 PolarHBondContact O-N 2.81Å; I545-W548 VanDerWaalsContact O-N 3.07Å; D546-W548 VanDerWaalsContact C-N 3.27Å; D546-W548 PolarHBondContact O-N 3.41Å; W548-V550 VanDerWaalsContact C-N 3.33Å; W548-V550 PolarHBondContact O-N 3.4Å; W548-I551 CarbonylContact O-C 3.58Å; W548-I551 WeakPolarHBondContact O-CA 3.24Å; W548-I551 PolarHBondContact O-N 3.04Å; W548-N552 PolarHBondContact O-N 3.34Å; W548-K554 PolarHBondContact NE1-O 2.87Å; W548-P556 HydrophobicContact CD2-CB 4.27Å; W548-P556 HydrophobicContact CH2-CB 4.46Å; W548-P556 HydrophobicContact CZ2-CB 3.94Å
549	L	88.9	Confident	88.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.5	-29.1	-175.8	-68.7	177.7	0	0	0	113.7	A490 I495 T499 I545 D546 I551 N552 V562	A490-L549 PolarHBondContact N-O 3.24Å; I495-L549 HydrophobicContact CB-CD1 4.47Å; I495-L549 HydrophobicContact CD1-CB 3.5Å; I495-L549 VanDerWaalsContact CD1-CB 3.5Å; I495-L549 HydrophobicContact CD1-CD1 4.48Å; I495-L549 HydrophobicContact CG1-CB 3.79Å; I495-L549 HydrophobicContact CG1-CD1 4.09Å; I495-L549 HydrophobicContact CG2-CD1 3.73Å; T499-L549 HydrophobicContact CG2-CD1 4.47Å; I545-L549 HydrophobicContact CD1-CD1 4.3Å; I545-L549 HydrophobicContact CD1-CD2 4.35Å; I545-L549 HydrophobicContact CD1-CG 3.99Å; I545-L549 HydrophobicContact CG1-CD1 3.82Å; I545-L549 HydrophobicContact CG1-CG 3.97Å; I545-L549 WeakPolarHBondContact O-CB 3.49Å; I545-L549 WeakPolarHBondContact O-CG 3.2Å; I545-L549 PolarHBondContact O-N 3.28Å; D546-L549 PolarHBondContact O-N 3.23Å; L549-I551 PolarHBondContact O-N 2.97Å; L549-N552 VanDerWaalsContact CA-O 3.31Å; L549-N552 WeakPolarHBondContact CA-O 3.38Å; L549-N552 WeakPolarHBondContact CD2-O 3.4Å; L549-N552 CarbonylContact O-C 3.57Å; L549-N552 PolarHBondContact O-N 3.35Å; L549-V562 HydrophobicContact CD1-CG2 4.08Å; L549-V562 HydrophobicContact CD2-CG2 3.46Å; L549-V562 VanDerWaalsContact CD2-CG2 3.46Å; L549-V562 HydrophobicContact CG-CG2 4.43Å
550	V	86.2	Confident	88.1	Confident	51 Å²	51	60.1 Å²	60.1	31%	0.309	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.9	170.3	170.1	0	0	0	0	112.1	G489 M492 I495 D546 W548	G489-V550 WeakPolarHBondContact CA-O 3.25Å; M492-V550 HydrophobicContact SD-CG2 3.82Å; I495-V550 HydrophobicContact CD1-CG2 3.96Å; D546-V550 WeakPolarHBondContact O-CB 3.43Å; D546-V550 WeakPolarHBondContact O-CG2 3.39Å; D546-V550 PolarHBondContact O-N 3.38Å; W548-V550 VanDerWaalsContact C-N 3.33Å; W548-V550 PolarHBondContact O-N 3.4Å
551	I	84.4	Confident	87.6	Confident	89 Å²	89	63.4 Å²	63.4	46%	0.456	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-35.6	174.6	-60.1	170.2	0	0	0	110.2	P487 W548 L549	P487-I551 CarbonylContact C-O 3.55Å; P487-I551 VanDerWaalsContact CB-O 3.27Å; P487-I551 WeakPolarHBondContact CB-O 3.44Å; P487-I551 HydrophobicContact CG-CG2 4.34Å; P487-I551 WeakPolarHBondContact CG-O 3.13Å; W548-I551 CarbonylContact O-C 3.58Å; W548-I551 WeakPolarHBondContact O-CA 3.24Å; W548-I551 PolarHBondContact O-N 3.04Å; L549-I551 PolarHBondContact O-N 2.97Å
552	N	84.2	Confident	87	Confident	34 Å²	34	62.9 Å²	62.9	18%	0.182	29%	0.292	C	S	.	.			trans	-147.3	114.2	-174.4	-166.6	-16.5	0	0	0	113.7	P487 W548 L549 K554	P487-N552 HydrophobicContact CB-CB 3.54Å; P487-N552 WeakPolarHBondContact CB-OD1 3.06Å; P487-N552 HydrophobicContact CG-CB 3.71Å; W548-N552 PolarHBondContact O-N 3.34Å; L549-N552 VanDerWaalsContact CA-O 3.31Å; L549-N552 WeakPolarHBondContact CA-O 3.38Å; L549-N552 WeakPolarHBondContact CD2-O 3.4Å; L549-N552 CarbonylContact O-C 3.57Å; L549-N552 PolarHBondContact O-N 3.35Å; N552-K554 PolarHBondContact O-N 2.89Å; N552-K554 WeakPolarHBondContact OD1-CB 3.31Å; N552-K554 PolarHBondContact OD1-N 3.36Å
553	K	85.9	Confident	86.1	Confident	50 Å²	50	64.5 Å²	64.5	22%	0.217	30%	0.3	C	S	.	.	S	Bend	trans	-56.3	-9.5	174.2	-77.5	163.8	-167.9	179.9	0	115	E488 G489 A490 E561 V562	E488-K553 HydrophobicContact CB-CD 4.31Å; E488-K553 WeakPolarHBondContact O-CD 3.44Å; E488-K553 WeakPolarHBondContact O-CE 3.49Å; E488-K553 WeakPolarHBondContact O-CG 3.28Å; E488-K553 IonicContact OE2-NZ 2.96Å; E488-K553 PolarHBondContact OE2-NZ 3.37Å; E488-K553 VanDerWaalsContact OE2-NZ 3.15Å; G489-K553 WeakPolarHBondContact O-CE 3.16Å; A490-K553 HydrophobicContact CB-CG 3.83Å; K553-E561 CarbonylContact O-C 3.5Å; K553-E561 VanDerWaalsContact O-CA 3.32Å; K553-E561 WeakPolarHBondContact O-CA 3.33Å; K553-V562 WeakPolarHBondContact O-CG2 3.4Å; K553-V562 PolarHBondContact O-N 3.1Å
554	K	87.1	Confident	84.9	Confident	74 Å²	74	60.5 Å²	60.5	32%	0.322	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-92.2	141.1	-178.3	-65.9	175.7	-178.8	177.5	0	112.6	W548 N552 L560 E561	W548-K554 PolarHBondContact NE1-O 2.87Å; N552-K554 PolarHBondContact O-N 2.89Å; N552-K554 WeakPolarHBondContact OD1-CB 3.31Å; N552-K554 PolarHBondContact OD1-N 3.36Å; K554-L560 CarbonylContact C-O 3.53Å; K554-L560 WeakPolarHBondContact CA-O 3.35Å; K554-E561 HydrophobicContact CD-CG 4.32Å; K554-E561 WeakPolarHBondContact CE-OE1 3.24Å; K554-E561 HydrophobicContact CG-CB 4.5Å; K554-E561 HydrophobicContact CG-CG 3.58Å; K554-E561 IonicContact NZ-OE1 3.78Å
555	C	89	Confident	82.9	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.014	34%	0.342	C	S	.	.			trans	-62	134.7	172.1	178.2	0	0	0	0	111.4	L534 V557 C558 R559 L560	L534-C555 HydrophobicContact CD2-CB 3.82Å; C555-V557 PolarHBondContact O-N 3.13Å; C555-V557 PolarHBondContact SG-N 2.8Å; C555-C558 VanDerWaalsContact CB-SG 3.55Å; C555-C558 VanDerWaalsContact SG-SG 3.61Å; C555-R559 WeakPolarHBondContact O-CA 3.23Å; C555-R559 PolarHBondContact O-N 3.18Å; C555-L560 PolarHBondContact N-O 3.43Å
556	P	87.3	Confident	82.6	Confident	37 Å²	37	72.6 Å²	72.6	24%	0.24	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.7	-179.9	26.1	-33.5	0	0	0	113.9	I520 F540 I545 W548	I520-P556 HydrophobicContact CD1-CG 4.07Å; I520-P556 HydrophobicContact CG1-CG 4.05Å; F540-P556 HydrophobicContact CD1-CG 4.48Å; F540-P556 HydrophobicContact CE1-CG 3.8Å; F540-P556 HydrophobicContact CE2-CG 4.28Å; F540-P556 HydrophobicContact CZ-CG 3.66Å; I545-P556 HydrophobicContact CD1-CG 4.24Å; W548-P556 HydrophobicContact CD2-CB 4.27Å; W548-P556 HydrophobicContact CH2-CB 4.46Å; W548-P556 HydrophobicContact CZ2-CB 3.94Å
557	V	86.1	Confident	82.1	Confident	70 Å²	70	75.3 Å²	75.3	42%	0.424	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-58	-178.4	-178.3	0	0	0	0	111.2	H538 F540 C555	H538-V557 VanDerWaalsContact CD2-CG1 3.49Å; H538-V557 WeakPolarHBondContact CD2-CG1 3.2Å; H538-V557 WeakPolarHBondContact NE2-CG1 3.31Å; F540-V557 HydrophobicContact CE1-CG2 3.8Å; F540-V557 HydrophobicContact CZ-CB 4.48Å; F540-V557 HydrophobicContact CZ-CG2 3.62Å; C555-V557 PolarHBondContact O-N 3.13Å; C555-V557 PolarHBondContact SG-N 2.8Å
558	C	87.6	Confident	81.7	Confident	47 Å²	47	70.5 Å²	70.5	32%	0.318	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-4.8	-176.1	61.5	0	0	0	0	115.1	C536 C555 L560	C536-C558 VanDerWaalsContact CB-SG 3.52Å; C555-C558 VanDerWaalsContact CB-SG 3.55Å; C555-C558 VanDerWaalsContact SG-SG 3.61Å; C558-L560 HydrophobicContact CB-CD1 4.39Å; C558-L560 HydrophobicContact CB-CG 4.28Å; C558-L560 PolarHBondContact O-N 3.5Å
559	R	83.5	Confident	81.3	Confident	194 Å²	194	71.1 Å²	71.1	73%	0.732	37%	0.366	S	S	*	.			trans	59.5	11.3	-177.5	-51.4	-177.8	-174.9	-169.8	2.4	115.6	C555	C555-R559 WeakPolarHBondContact O-CA 3.23Å; C555-R559 PolarHBondContact O-N 3.18Å
560	L	83.6	Confident	80.8	Confident	100 Å²	100	75.6 Å²	75.6	52%	0.524	39%	0.389	S	S	.	.			trans	-69.3	134.8	170.7	-65.4	174.1	0	0	0	109.8	C536 K554 C555 C558	C536-L560 HydrophobicContact CB-CD1 4.01Å; K554-L560 CarbonylContact C-O 3.53Å; K554-L560 WeakPolarHBondContact CA-O 3.35Å; C555-L560 PolarHBondContact N-O 3.43Å; C558-L560 HydrophobicContact CB-CD1 4.39Å; C558-L560 HydrophobicContact CB-CG 4.28Å; C558-L560 PolarHBondContact O-N 3.5Å
561	E	81.8	Confident	80.4	Confident	72 Å²	72	77.2 Å²	77.2	34%	0.336	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-70.9	142	174.8	-51.7	167.4	175.4	0	0	110.2	K553 K554 D563 H564	K553-E561 CarbonylContact O-C 3.5Å; K553-E561 VanDerWaalsContact O-CA 3.32Å; K553-E561 WeakPolarHBondContact O-CA 3.33Å; K554-E561 HydrophobicContact CD-CG 4.32Å; K554-E561 WeakPolarHBondContact CE-OE1 3.24Å; K554-E561 HydrophobicContact CG-CB 4.5Å; K554-E561 HydrophobicContact CG-CG 3.58Å; K554-E561 IonicContact NZ-OE1 3.78Å; E561-D563 PolarHBondContact O-N 2.83Å; E561-H564 WeakPolarHBondContact CB-CD2 3.29Å; E561-H564 WeakPolarHBondContact CB-NE2 3.49Å; E561-H564 WeakPolarHBondContact CG-NE2 3.39Å; E561-H564 PolarHBondContact O-N 3.02Å; E561-H564 IonicContact OE2-CD2 3.15Å; E561-H564 IonicContact OE2-CE1 3.42Å; E561-H564 PolarHBondContact OE2-CE1 2.82Å; E561-H564 IonicContact OE2-NE2 3.58Å; E561-H564 PolarHBondContact OE2-NE2 3.4Å
562	V	78.1	Confident	80.1	Confident	10 Å²	10	76.4 Å²	76.4	6%	0.061	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.7	-178.3	171.8	0	0	0	0	112.3	N498 T499 L534 L549 K553	N498-V562 HydrophobicContact CB-CG1 3.49Å; N498-V562 VanDerWaalsContact CB-CG1 3.49Å; N498-V562 WeakPolarHBondContact CB-O 3.49Å; T499-V562 HydrophobicContact CG2-CG1 4.06Å; L534-V562 HydrophobicContact CD2-CG2 3.71Å; L534-V562 HydrophobicContact CG-CG2 4.23Å; L549-V562 HydrophobicContact CD1-CG2 4.08Å; L549-V562 HydrophobicContact CD2-CG2 3.46Å; L549-V562 VanDerWaalsContact CD2-CG2 3.46Å; L549-V562 HydrophobicContact CG-CG2 4.43Å; K553-V562 WeakPolarHBondContact O-CG2 3.4Å; K553-V562 PolarHBondContact O-N 3.1Å
563	D	73	Confident	79.8	Confident	59 Å²	59	79.6 Å²	79.6	32%	0.316	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.6	-176.3	-61.6	-20	0	0	0	113.8	V494 N498 E561 V565	V494-D563 WeakPolarHBondContact CG1-OD1 3.41Å; N498-D563 PolarHBondContact ND2-OD1 2.88Å; E561-D563 PolarHBondContact O-N 2.83Å; D563-V565 PolarHBondContact O-N 3.47Å
564	H	64.6	Low	79.3	Confident	119 Å²	119	82.1 Å²	82.1	55%	0.551	42%	0.421	S	S	*	.			trans	-74.5	108.7	176.3	-68.8	-51.1	0	0	0	110.3	E561	E561-H564 WeakPolarHBondContact CB-CD2 3.29Å; E561-H564 WeakPolarHBondContact CB-NE2 3.49Å; E561-H564 WeakPolarHBondContact CG-NE2 3.39Å; E561-H564 PolarHBondContact O-N 3.02Å; E561-H564 IonicContact OE2-CD2 3.15Å; E561-H564 IonicContact OE2-CE1 3.42Å; E561-H564 PolarHBondContact OE2-CE1 2.82Å; E561-H564 IonicContact OE2-NE2 3.58Å; E561-H564 PolarHBondContact OE2-NE2 3.4Å
565	V	50.4	Low	78.6	Confident	201 Å²	201	82.8 Å²	82.8	100%	1.218	43%	0.43	S	S	*	.			trans	-89.4	0	174.9	176.8	0	0	0	0	110.9	D563	D563-V565 PolarHBondContact O-N 3.47Å

Retrieved 565 of 565 residues in 144.6 ms (Link to these results)

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