A0A077ZBJ5_TRITR Loading...

Nuclear pore complex protein Nup98-Nup96

AlphaFold DB , UniProt , Accession A0A077ZBJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 648 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	41.3	Very low	43.9	Very low	230 Å²	230	148.5 Å²	148.5	100%	1.133	84%	0.844	S	S	*	*				0	149.4	0	-132.4	175.3	-177.3	0	0	107.5
2	F	44.9	Very low	43.6	Very low	206 Å²	206	144.8 Å²	144.8	90%	0.904	84%	0.835	S	S	*	*			trans	64.5	144.6	-165.9	-55.7	-84.5	0	0	0	115.2
3	G	40.2	Very low	43.7	Very low	68 Å²	68	149.8 Å²	149.8	70%	0.701	84%	0.841	S	S	*	*			cis	145.7	72.4	-13	0	0	0	0	0	116.6
4	Q	41.2	Very low	43.5	Very low	181 Å²	181	144.6 Å²	144.6	85%	0.846	84%	0.838	S	S	*	*			trans	25.8	125.6	144.7	-171.9	-179.4	10.3	0	0	120.4
5	K	52.9	Low	44.1	Very low	212 Å²	212	143.7 Å²	143.7	92%	0.922	84%	0.843	S	S	*	*			trans	-149.6	160.4	146.6	-139	177.1	-176.3	-177.8	0	112
6	T	40.5	Very low	44.3	Very low	115 Å²	115	137.9 Å²	137.9	71%	0.706	82%	0.823	S	S	*	*			trans	-136.6	148.3	-161	-26.1	0	0	0	0	113.5
7	A	41.1	Very low	44.1	Very low	78 Å²	78	136.8 Å²	136.8	65%	0.645	82%	0.824	S	S	*	*			trans	77.7	159.9	148.2	0	0	0	0	0	122.1
8	F	39.9	Very low	44.2	Very low	218 Å²	218	140.5 Å²	140.5	96%	0.956	83%	0.827	S	S	*	*			trans	78.6	131.5	167.8	-70.6	-81.6	0	0	0	120.7
9	G	41.8	Very low	44	Very low	78 Å²	78	140.2 Å²	140.2	80%	0.804	82%	0.821	S	S	*	*			trans	131.3	89.1	156.8	0	0	0	0	0	116.5
10	S	47.4	Very low	43.9	Very low	123 Å²	123	143 Å²	143	86%	0.86	82%	0.823	S	S	*	*			trans	-85.1	158.4	162.2	-48.2	0	0	0	0	110.9
11	P	51.5	Low	43.8	Very low	124 Å²	124	139.6 Å²	139.6	81%	0.805	82%	0.819	S	S	*	*			trans	-134.1	166.9	130.8	37.5	-28.1	0	0	0	114
12	S	40.1	Very low	43.5	Very low	105 Å²	105	139 Å²	139	73%	0.734	81%	0.811	S	S	*	*			trans	-97.4	152.1	179.6	177	0	0	0	0	111.9
13	F	45	Very low	43.3	Very low	210 Å²	210	132.2 Å²	132.2	92%	0.921	80%	0.799	S	S	*	*			trans	-140.8	150.2	153.4	-87.4	-76.9	0	0	0	109.5
14	G	41.5	Very low	43.3	Very low	77 Å²	77	135.6 Å²	135.6	79%	0.794	81%	0.806	S	S	*	*			trans	-153.8	171.6	-172.9	0	0	0	0	0	114.9
15	S	52.1	Low	43.5	Very low	131 Å²	131	132.5 Å²	132.5	92%	0.916	80%	0.801	S	S	*	*			trans	-166.1	152.2	-178.6	-179.7	0	0	0	0	107.1
16	G	46.9	Very low	42.6	Very low	50 Å²	50	128.4 Å²	128.4	52%	0.515	79%	0.794	S	S	.	*			cis	172.6	46.8	4.9	0	0	0	0	0	113.9
17	S	41.4	Very low	42.3	Very low	120 Å²	120	129 Å²	129	84%	0.839	80%	0.798	S	S	*	*			trans	54.4	97	135.4	-52.1	0	0	0	0	122.1
18	F	46.2	Very low	42.2	Very low	203 Å²	203	133.4 Å²	133.4	89%	0.89	81%	0.805	S	S	*	*			trans	-160.5	160.5	147.3	38.5	-100	0	0	0	112.4
19	L	40.7	Very low	41.9	Very low	135 Å²	135	127.8 Å²	127.8	71%	0.707	79%	0.793	S	S	*	*				-157.7	159	-87	178.8	60	0	0	0	109.6
20	F	41.4	Very low	41.6	Very low	195 Å²	195	130.3 Å²	130.3	86%	0.855	79%	0.793	S	S	*	*			trans	69.4	140.2	-178	-43.3	-73.8	0	0	0	114.5
21	G	41.3	Very low	41.1	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	78%	0.782	S	S	*	*			cis	132.2	149.6	1.8	0	0	0	0	0	110.7
22	F	36	Very low	41	Very low	218 Å²	218	130.1 Å²	130.1	96%	0.956	79%	0.789	S	S	*	*			cis	-166.2	156.6	-8.9	-174.9	-89.9	0	0	0	107.8
23	G	40	Very low	40.8	Very low	63 Å²	63	135.3 Å²	135.3	65%	0.649	80%	0.799	S	S	*	*			trans	113.3	115.3	155.7	0	0	0	0	0	119
24	T	41.2	Very low	40.4	Very low	138 Å²	138	129 Å²	129	85%	0.847	79%	0.793	S	S	*	*			trans	-111.7	148.8	151.2	50.7	0	0	0	0	108.7
25	P	44.3	Very low	40.5	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	80%	0.797	S	S	*	*				-147.9	133.4	127.6	33.9	-16.4	0	0	0	116.8
26	T	33.9	Very low	39.9	Very low	126 Å²	126	131 Å²	131	77%	0.773	79%	0.785	S	S	*	*			trans	14	145.9	137.4	57.7	0	0	0	0	123.9
27	T	34.5	Very low	39.9	Very low	127 Å²	127	134 Å²	134	78%	0.779	80%	0.796	S	S	*	*			trans	99.8	151.8	143.2	-10.3	0	0	0	0	120.6
28	Q	38.6	Very low	39.7	Very low	171 Å²	171	133 Å²	133	80%	0.799	78%	0.784	S	S	*	*			trans	71.4	110.3	169.7	-72	-179.6	-15.6	0	0	115.8
29	S	33.7	Very low	39.4	Very low	100 Å²	100	129.4 Å²	129.4	70%	0.699	78%	0.779	S	S	*	*				62.9	132.2	81.2	73.1	0	0	0	0	113
30	T	37	Very low	39.3	Very low	132 Å²	132	129 Å²	129	81%	0.81	78%	0.783	S	S	*	*			cis	-152.8	157.1	36.3	-49.6	0	0	0	0	111
31	G	36.5	Very low	39.3	Very low	61 Å²	61	125.3 Å²	125.3	63%	0.629	78%	0.781	S	S	*	*			trans	-75.9	158.1	176	0	0	0	0	0	114.1
32	L	49.1	Very low	39.3	Very low	181 Å²	181	125.8 Å²	125.8	95%	0.948	79%	0.786	S	S	*	*			trans	-125.3	119.7	175.6	-139.8	74.8	0	0	0	110
33	F	36	Very low	39.6	Very low	214 Å²	214	119.3 Å²	119.3	94%	0.939	78%	0.78	S	S	*	*			trans	-111	152.2	179.5	-85.6	-88.7	0	0	0	111.2
34	G	36.2	Very low	40	Very low	77 Å²	77	124.3 Å²	124.3	79%	0.794	79%	0.791	S	S	*	*			trans	106.6	148	168.9	0	0	0	0	0	113.9
35	S	42.8	Very low	39.7	Very low	126 Å²	126	128.3 Å²	128.3	88%	0.881	80%	0.797	S	S	*	*			cis	-145.6	166.4	5.4	52.9	0	0	0	0	113.2
36	N	40.4	Very low	39.5	Very low	126 Å²	126	126.4 Å²	126.4	67%	0.674	80%	0.799	S	S	*	*			trans	-85.5	165.6	-176.3	-157.9	9.2	0	0	0	111.2	T38	N36-T38 VanDerWaalsContact CG-N 3.34Å; N36-T38 PolarHBondContact ND2-N 2.78Å; N36-T38 PolarHBondContact OD1-N 2.97Å
37	P	46.9	Very low	39.8	Very low	113 Å²	113	126.2 Å²	126.2	73%	0.734	80%	0.802	S	S	*	*				-148.9	117.6	92	34.9	-15.5	0	0	0	117
38	T	36.5	Very low	40	Very low	97 Å²	97	125.4 Å²	125.4	60%	0.595	80%	0.802	S	S	*	*			trans	34.4	124.5	131.2	57.1	0	0	0	0	120.6	N36	N36-T38 VanDerWaalsContact CG-N 3.34Å; N36-T38 PolarHBondContact ND2-N 2.78Å; N36-T38 PolarHBondContact OD1-N 2.97Å
39	T	39.3	Very low	40.2	Very low	128 Å²	128	122.8 Å²	122.8	79%	0.785	80%	0.8	S	S	*	*				-170.5	129.2	101.5	20.9	0	0	0	0	114.1
40	T	38.7	Very low	40.5	Very low	128 Å²	128	121.9 Å²	121.9	79%	0.785	80%	0.798	S	S	*	*				44.9	127.3	126.3	-45	0	0	0	0	120.1
41	S	41.8	Very low	40.7	Very low	117 Å²	117	122 Å²	122	82%	0.818	80%	0.799	S	S	*	*			cis	-167.9	171	-5.5	53.1	0	0	0	0	111.4
42	G	42.7	Very low	40.9	Very low	83 Å²	83	124.4 Å²	124.4	86%	0.856	80%	0.804	S	S	*	*			trans	114.4	72	158.6	0	0	0	0	0	117.4
43	G	40.7	Very low	40.2	Very low	81 Å²	81	121.8 Å²	121.8	84%	0.835	80%	0.801	S	S	*	*			trans	-103.6	156.4	169.2	0	0	0	0	0	112.7
44	L	50.2	Low	40.1	Very low	169 Å²	169	115.6 Å²	115.6	89%	0.885	80%	0.797	S	S	*	*			trans	-145.8	51.4	-174	-133.2	170.4	0	0	0	113.6
45	F	34.2	Very low	40	Very low	222 Å²	222	115 Å²	115	97%	0.974	79%	0.791	S	S	*	*			trans	-131.7	132.8	172.8	-76.5	-65.8	0	0	0	112.8
46	G	39.4	Very low	39.8	Very low	76 Å²	76	117.3 Å²	117.3	78%	0.784	79%	0.792	S	S	*	*			trans	152.6	148.7	178.2	0	0	0	0	0	109.4
47	S	40.8	Very low	39.3	Very low	121 Å²	121	121.5 Å²	121.5	85%	0.846	81%	0.805	S	S	*	*			cis	-159.1	158.2	-7.8	48.8	0	0	0	0	110
48	S	38.1	Very low	38.6	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	81%	0.806	S	S	*	*			trans	-64.1	169.2	172.9	-134.8	0	0	0	0	112.2
49	P	43.4	Very low	38.3	Very low	115 Å²	115	120.6 Å²	120.6	75%	0.747	82%	0.817	S	S	*	*			cis	-144.6	-168.7	13.1	43.2	-22.6	0	0	0	118
50	A	38.9	Very low	37.9	Very low	81 Å²	81	119.4 Å²	119.4	67%	0.669	81%	0.814	S	S	*	*			trans	86.5	100.2	150.1	0	0	0	0	0	122.1
51	T	41.4	Very low	37.5	Very low	134 Å²	134	121.4 Å²	121.4	82%	0.822	82%	0.82	S	S	*	*				36.9	152.6	127.2	55	0	0	0	0	123.3
52	P	42.1	Very low	37.1	Very low	113 Å²	113	119 Å²	119	73%	0.734	81%	0.813	S	S	*	*			cis	-143	146.3	-38	38.4	-21.1	0	0	0	115
53	S	34.7	Very low	36.7	Very low	126 Å²	126	122.3 Å²	122.3	88%	0.881	82%	0.817	S	S	*	*	S	Bend	trans	174.2	160.2	149.5	40.1	0	0	0	0	113.2
54	G	32.9	Very low	36.3	Very low	83 Å²	83	124.7 Å²	124.7	86%	0.856	82%	0.82	S	S	*	*			trans	76.9	28.4	154.9	0	0	0	0	0	119.3	L56	G54-L56 PolarHBondContact O-N 2.83Å
55	G	34.7	Very low	35.6	Very low	65 Å²	65	122.1 Å²	122.1	67%	0.67	81%	0.814	S	S	*	*			trans	-99	50.6	-166.5	0	0	0	0	0	119.1	F57	G55-F57 PolarHBondContact O-N 3.03Å
56	L	38.2	Very low	35.6	Very low	174 Å²	174	120.7 Å²	120.7	91%	0.911	81%	0.808	S	S	*	*			trans	40.2	43.1	152	-142.9	75.9	0	0	0	121.4	G54	G54-L56 PolarHBondContact O-N 2.83Å
57	F	30.8	Very low	35.5	Very low	214 Å²	214	121.5 Å²	121.5	94%	0.939	80%	0.802	S	S	*	*			trans	-120.1	105.1	159.1	-75.8	-82.1	0	0	0	110	G55	G55-F57 PolarHBondContact O-N 3.03Å
58	G	30.3	Very low	35.4	Very low	74 Å²	74	120 Å²	120	76%	0.763	80%	0.796	S	S	*	*			trans	172.1	97.5	178.2	0	0	0	0	0	116.9
59	S	31	Very low	35.3	Very low	117 Å²	117	125.2 Å²	125.2	82%	0.818	80%	0.799	S	S	*	*			trans	70.7	160.3	155	-158.8	0	0	0	0	120.4
60	S	30.5	Very low	35.1	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	80%	0.798	S	S	*	*			trans	75.6	67.9	152.5	-51.6	0	0	0	0	119.2
61	N	31.5	Very low	34.9	Very low	170 Å²	170	129.5 Å²	129.5	91%	0.909	80%	0.799	S	S	*	*				36.7	124.5	120.8	-165.9	20.4	0	0	0	120.3
62	G	31.7	Very low	34.6	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	80%	0.797	S	S	*	*			trans	116.7	90.5	146.5	0	0	0	0	0	117.7
63	T	35.1	Very low	34.2	Very low	153 Å²	153	136.5 Å²	136.5	94%	0.939	80%	0.801	S	S	*	*			trans	-137.5	114.4	160.7	32.6	0	0	0	0	111.1
64	C	32.6	Very low	34.3	Very low	132 Å²	132	134.4 Å²	134.4	89%	0.892	79%	0.787	S	S	*	*			trans	-137.7	135.8	171.2	61.5	0	0	0	0	111.1
65	C	36.2	Very low	34.4	Very low	114 Å²	114	137.4 Å²	137.4	77%	0.77	78%	0.783	S	S	*	*			trans	-159.6	146.6	172	59.2	0	0	0	0	105.6
66	F	32.9	Very low	34.6	Very low	193 Å²	193	142 Å²	142	85%	0.846	79%	0.792	S	S	*	*			cis	-125.1	167.4	9.6	-90.7	-121.2	0	0	0	108.9
67	S	38.2	Very low	34.2	Very low	93 Å²	93	142 Å²	142	65%	0.65	79%	0.785	S	S	*	*			cis	-172.8	155.5	-16.4	51.2	0	0	0	0	110.4
68	A	37.4	Very low	34.5	Very low	88 Å²	88	138 Å²	138	73%	0.727	78%	0.778	S	S	*	*			trans	62.2	126.9	148.1	0	0	0	0	0	120.3
69	R	36.7	Very low	34.9	Very low	221 Å²	221	139.1 Å²	139.1	83%	0.834	77%	0.77	S	S	*	*			cis	-156.8	167.4	-3.7	-56.8	-168.6	-178.2	-104.2	4	111.9
70	Q	39.1	Very low	35.3	Very low	158 Å²	158	139.7 Å²	139.7	74%	0.738	77%	0.768	S	S	*	*			trans	81.3	98.9	154.7	-47.1	-151.2	29.5	0	0	119.9
71	N	35	Very low	35.3	Very low	128 Å²	128	144.2 Å²	144.2	68%	0.684	77%	0.769	S	S	*	*				39.3	131.2	120	-40.5	-14.6	0	0	0	118.5
72	F	34.9	Very low	35.5	Very low	176 Å²	176	143.4 Å²	143.4	77%	0.772	76%	0.76	S	S	*	*				-156	140	50.1	-99.8	-95.8	0	0	0	113.9
73	W	34.1	Very low	35.6	Very low	219 Å²	219	146.6 Å²	146.6	83%	0.83	76%	0.762	S	S	*	*			trans	39.7	106.1	134.1	-74.1	61.3	0	0	0	119
74	S	36.2	Very low	35.6	Very low	82 Å²	82	144.1 Å²	144.1	57%	0.573	75%	0.75	S	S	*	*				83.6	132.7	89.5	71	0	0	0	0	113.9
75	D	35.1	Very low	36	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	74%	0.743	S	S	*	*			cis	-160.5	176.3	3.7	-106.1	-28.6	0	0	0	111.3
76	N	37.9	Very low	35.9	Very low	163 Å²	163	146.7 Å²	146.7	87%	0.872	74%	0.741	S	S	*	*			trans	91.4	101.2	174.3	-54	-80.3	0	0	0	117.2
77	F	31.7	Very low	35.9	Very low	173 Å²	173	143.4 Å²	143.4	76%	0.759	74%	0.741	S	S	*	*			trans	-149.3	121.4	170.8	174.7	-107.5	0	0	0	109.9	V79	F77-V79 HydrophobicContact CD1-CG2 4.27Å; F77-V79 HydrophobicContact CD2-CG2 4.09Å; F77-V79 HydrophobicContact CE1-CB 4.13Å; F77-V79 HydrophobicContact CE1-CG1 3.71Å; F77-V79 HydrophobicContact CE1-CG2 3.71Å; F77-V79 HydrophobicContact CE2-CG2 3.49Å; F77-V79 VanDerWaalsContact CE2-CG2 3.49Å; F77-V79 HydrophobicContact CG-CG2 4.46Å; F77-V79 HydrophobicContact CZ-CB 4.07Å; F77-V79 HydrophobicContact CZ-CG1 3.71Å; F77-V79 HydrophobicContact CZ-CG2 3.29Å
78	V	36.8	Very low	35.8	Very low	129 Å²	129	148.9 Å²	148.9	78%	0.782	75%	0.747	S	S	*	*			trans	-112.4	81.3	-176.5	-177.9	0	0	0	0	110.9	V80	V78-V80 VanDerWaalsContact C-N 3.35Å; V78-V80 PolarHBondContact O-N 2.75Å
79	V	37.2	Very low	35.8	Very low	99 Å²	99	153.1 Å²	153.1	60%	0.6	76%	0.756	S	S	*	*			trans	-55.3	76.3	167.9	120.9	0	0	0	0	115.8	F77 W81	F77-V79 HydrophobicContact CD1-CG2 4.27Å; F77-V79 HydrophobicContact CD2-CG2 4.09Å; F77-V79 HydrophobicContact CE1-CB 4.13Å; F77-V79 HydrophobicContact CE1-CG1 3.71Å; F77-V79 HydrophobicContact CE1-CG2 3.71Å; F77-V79 HydrophobicContact CE2-CG2 3.49Å; F77-V79 VanDerWaalsContact CE2-CG2 3.49Å; F77-V79 HydrophobicContact CG-CG2 4.46Å; F77-V79 HydrophobicContact CZ-CB 4.07Å; F77-V79 HydrophobicContact CZ-CG1 3.71Å; F77-V79 HydrophobicContact CZ-CG2 3.29Å; V79-W81 PolarHBondContact O-N 2.96Å
80	V	41.3	Very low	35.8	Very low	129 Å²	129	151.6 Å²	151.6	78%	0.782	76%	0.756	S	S	*	*			trans	-71.6	110	152.9	-177.8	0	0	0	0	108.9	V78	V78-V80 VanDerWaalsContact C-N 3.35Å; V78-V80 PolarHBondContact O-N 2.75Å
81	W	30	Very low	35.7	Very low	198 Å²	198	147.2 Å²	147.2	75%	0.75	75%	0.754	S	S	*	*			trans	-86.6	144.3	175.8	-163.4	70	0	0	0	110.3	V79	V79-W81 PolarHBondContact O-N 2.96Å
82	H	36.3	Very low	35.9	Very low	153 Å²	153	153 Å²	153	71%	0.708	77%	0.766	S	S	*	*				-178.5	150	127.1	-99.9	95.6	0	0	0	114.1
83	N	33	Very low	35.8	Very low	133 Å²	133	153.6 Å²	153.6	71%	0.711	77%	0.769	S	S	*	*			trans	62.5	85.9	157.3	-119.5	-40.7	0	0	0	119.9
84	S	36	Very low	35.8	Very low	100 Å²	100	151 Å²	151	70%	0.699	77%	0.77	S	S	*	*			trans	-127.3	127.1	144.7	178.3	0	0	0	0	108
85	I	40.7	Very low	35.8	Very low	146 Å²	146	150.7 Å²	150.7	75%	0.749	78%	0.78	S	S	*	*			trans	-73.7	128.6	-179.3	-70.2	166.9	0	0	0	109.9
86	Q	33.9	Very low	35.6	Very low	154 Å²	154	151 Å²	151	72%	0.72	79%	0.787	S	S	*	*			trans	-95.9	100.7	-171.6	-77.8	-84.7	-40.7	0	0	112.3
87	C	32.6	Very low	35.5	Very low	124 Å²	124	148.9 Å²	148.9	84%	0.838	79%	0.785	S	S	*	*			trans	-82.9	115.3	162.9	-67.9	0	0	0	0	109.7	L89	C87-L89 PolarHBondContact O-N 2.75Å
88	R	36.5	Very low	35.6	Very low	209 Å²	209	147.7 Å²	147.7	79%	0.789	79%	0.792	S	S	*	*			trans	-86.6	108	-171.1	-71.7	-173.1	-74.7	-149.6	-5.2	113
89	L	36.6	Very low	35.6	Very low	176 Å²	176	145.2 Å²	145.2	92%	0.921	79%	0.793	S	S	*	*			trans	-89.4	100.6	162.3	-167.3	68.3	0	0	0	110.6	C87 G91	C87-L89 PolarHBondContact O-N 2.75Å; L89-G91 PolarHBondContact O-N 3.46Å
90	K	38.1	Very low	35.7	Very low	189 Å²	189	144.2 Å²	144.2	82%	0.822	80%	0.802	S	S	*	*			trans	-93.9	80.2	-178.7	-92.6	-165.3	171.9	-171.6	0	113.8
91	G	37	Very low	35.6	Very low	67 Å²	67	147 Å²	147	69%	0.691	81%	0.809	S	S	*	*			trans	85	164.3	136.3	0	0	0	0	0	120.4	L89	L89-G91 PolarHBondContact O-N 3.46Å
92	R	38.1	Very low	35.7	Very low	248 Å²	248	147.7 Å²	147.7	94%	0.936	82%	0.818	S	S	*	*			trans	70.8	131.9	-177.5	-66.8	-176.4	166	-145.8	-5.2	115.9
93	F	33.2	Very low	35.5	Very low	190 Å²	190	143.6 Å²	143.6	83%	0.833	82%	0.817	S	S	*	*			cis	-160.2	147.7	-16.1	-162.5	-110	0	0	0	109.1
94	L	33.8	Very low	35.6	Very low	165 Å²	165	146.1 Å²	146.1	86%	0.864	82%	0.824	S	S	*	*			trans	-78.2	134.4	170.9	-94.9	65.1	0	0	0	109.9
95	G	35.9	Very low	35.6	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	82%	0.821	S	S	*	*			trans	-158.9	92.2	-179.1	0	0	0	0	0	113.8
96	T	31.2	Very low	35.2	Very low	150 Å²	150	144.4 Å²	144.4	92%	0.92	82%	0.82	S	S	*	*			trans	-84.1	111.7	171.3	10.8	0	0	0	0	111
97	S	36.6	Very low	35.1	Very low	120 Å²	120	143 Å²	143	84%	0.839	82%	0.822	S	S	*	*			trans	-163.4	136.7	151.6	54.9	0	0	0	0	114.7
98	T	32.7	Very low	35.2	Very low	148 Å²	148	143.8 Å²	143.8	91%	0.908	82%	0.823	S	S	*	*			trans	-53.9	150.2	165.5	-48.4	0	0	0	0	113.5
99	G	37.8	Very low	34.9	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	83%	0.828	S	S	*	*			trans	102.5	114.2	159.2	0	0	0	0	0	114.6
100	G	38	Very low	35	Very low	78 Å²	78	135.7 Å²	135.7	80%	0.804	82%	0.819	S	S	*	*			trans	-104.1	167	172.2	0	0	0	0	0	112.5
101	M	39.5	Very low	34.9	Very low	188 Å²	188	132.5 Å²	132.5	93%	0.926	82%	0.82	S	S	*	*			trans	-159	153.7	164.2	-115.4	168.6	164.7	0	0	112.1
102	F	32.3	Very low	34.9	Very low	212 Å²	212	134 Å²	134	93%	0.93	82%	0.821	S	S	*	*			trans	-59.8	160.5	177.2	-58.1	-104.3	0	0	0	112.6
103	G	31.9	Very low	35.3	Very low	66 Å²	66	129.6 Å²	129.6	68%	0.68	82%	0.815	S	S	*	*			cis	161.3	169.1	-2.1	0	0	0	0	0	112
104	Q	35.9	Very low	35.6	Very low	186 Å²	186	129.8 Å²	129.8	87%	0.869	82%	0.815	S	S	*	*			trans	27.9	119.1	156.4	-178.5	179.2	-14.3	0	0	119.9
105	S	35	Very low	35.5	Very low	90 Å²	90	125.5 Å²	125.5	63%	0.629	81%	0.812	S	S	*	*				175.3	146.9	92.9	-142.1	0	0	0	0	116.4
106	T	32.6	Very low	35.4	Very low	121 Å²	121	127.4 Å²	127.4	74%	0.742	81%	0.813	S	S	*	*			trans	55.6	119.8	143.3	-46.1	0	0	0	0	122
107	T	32.5	Very low	35.7	Very low	124 Å²	124	125 Å²	125	76%	0.761	81%	0.809	S	S	*	*			trans	-39.4	146.7	159.4	47.5	0	0	0	0	117.6
108	T	33.5	Very low	36	Very low	140 Å²	140	127.3 Å²	127.3	86%	0.859	81%	0.806	S	S	*	*				-160.6	143.9	128.9	-77.7	0	0	0	0	111.8
109	T	31.8	Very low	36.9	Very low	144 Å²	144	124.9 Å²	124.9	88%	0.883	79%	0.793	S	S	*	*			trans	-49.7	135	175.4	-46.9	0	0	0	0	115.1
110	G	38	Very low	37.8	Very low	71 Å²	71	125 Å²	125	73%	0.732	78%	0.78	S	S	*	*			trans	-169.1	121.8	171.3	0	0	0	0	0	113.9
111	S	35.8	Very low	39.2	Very low	122 Å²	122	123 Å²	123	85%	0.853	76%	0.755	S	S	*	*			trans	-75.1	140.9	-173.7	-173.9	0	0	0	0	114.3
112	S	37.3	Very low	41	Very low	100 Å²	100	114 Å²	114	70%	0.699	71%	0.711	S	S	*	*			trans	-153.2	82.3	162.5	-174.4	0	0	0	0	109.2	F114	S112-F114 PolarHBondContact O-N 3.43Å
113	L	46.9	Very low	43.4	Very low	154 Å²	154	106.9 Å²	106.9	81%	0.806	69%	0.685	S	S	*	*	S	Bend		66.8	-7.5	84.6	-158.6	58.7	0	0	0	116
114	F	38.5	Very low	45.8	Very low	194 Å²	194	107.1 Å²	107.1	85%	0.851	67%	0.673	S	S	*	*			trans	-135.7	56.4	165.6	-77.8	-75.5	0	0	0	111.7	S112 S116	S112-F114 PolarHBondContact O-N 3.43Å; F114-S116 PolarHBondContact O-N 2.96Å
115	G	32.5	Very low	48.1	Very low	76 Å²	76	100.5 Å²	100.5	78%	0.784	65%	0.646	S	S	*	*			trans	-80.9	101.1	177.9	0	0	0	0	0	112.7	A117	G115-A117 PolarHBondContact O-N 2.75Å
116	S	33	Very low	50.6	Low	114 Å²	114	104.4 Å²	104.4	80%	0.797	65%	0.651	S	S	*	*			trans	-60.8	132	152.4	48.8	0	0	0	0	108.1	F114 Q118	F114-S116 PolarHBondContact O-N 2.96Å; S116-Q118 PolarHBondContact O-N 2.82Å
117	A	36.6	Very low	53.3	Low	101 Å²	101	102.2 Å²	102.2	84%	0.835	63%	0.631	S	S	*	*			trans	-64.1	101.8	-179.6	0	0	0	0	0	109.7	G115	G115-A117 PolarHBondContact O-N 2.75Å
118	Q	42.9	Very low	56	Low	167 Å²	167	102.5 Å²	102.5	78%	0.78	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-61.1	128.8	177.3	-171.8	177.7	-52.3	0	0	108.4	S116	S116-Q118 PolarHBondContact O-N 2.82Å
119	P	51.9	Low	58.7	Low	98 Å²	98	98.4 Å²	98.4	64%	0.636	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.5	148.4	178.9	26	-34.5	0	0	0	109.8	A121	P119-A121 PolarHBondContact O-N 2.98Å; P119-A121 VanDerWaalsContact O-N 3.1Å
120	P	58.1	Low	61.4	Low	80 Å²	80	94.4 Å²	94.4	52%	0.519	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-59.2	119.3	179.8	-21.7	32.4	0	0	0	111	T124	P120-T124 HydrophobicContact CB-CG2 4.05Å; P120-T124 WeakPolarHBondContact CB-OG1 3.45Å
121	A	66.3	Low	63.9	Low	34 Å²	34	95.2 Å²	95.2	28%	0.281	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-78.1	133	171.5	0	0	0	0	0	109.1	P119 E169 R175	P119-A121 PolarHBondContact O-N 2.98Å; P119-A121 VanDerWaalsContact O-N 3.1Å; A121-E169 HydrophobicContact CB-CB 4.3Å; A121-E169 HydrophobicContact CB-CG 4.29Å; A121-R175 PolarHBondContact O-NH2 2.77Å
122	G	76.7	Confident	66.4	Low	0 Å²	0	90.8 Å²	90.8	0%	0	54%	0.539	C	S	.	.	S	Bend	trans	74.1	-171.1	-179.8	0	0	0	0	0	115.2	T124 Y158 E169 D170	G122-T124 PolarHBondContact O-N 3.29Å; G122-Y158 PolarHBondContact O-OH 3.24Å; G122-E169 PolarHBondContact N-OE2 3Å; G122-D170 WeakPolarHBondContact CA-OD2 3.47Å
123	T	83.2	Confident	68.9	Low	62 Å²	62	90.5 Å²	90.5	38%	0.38	54%	0.537	S	S	.	.	S	Bend	trans	-80.3	60.9	-171.7	70.3	0	0	0	0	112.8	I152 Y158 L166 D170	T123-I152 HydrophobicContact CG2-CD1 3.55Å; T123-Y158 WeakPolarHBondContact CA-OH 3.47Å; T123-L166 HydrophobicContact CG2-CB 4.14Å; T123-L166 HydrophobicContact CG2-CD1 4.43Å; T123-D170 WeakPolarHBondContact CG2-OD2 3.27Å; T123-D170 PolarHBondContact N-OD1 3.46Å; T123-D170 PolarHBondContact N-OD2 3.27Å; T123-D170 PolarHBondContact OG1-OD2 3.22Å
124	T	82.5	Confident	70.8	Confident	71 Å²	71	87.2 Å²	87.2	44%	0.436	52%	0.52	S	S	.	.			trans	-77.9	-20.9	176.4	63.6	0	0	0	0	114	P120 G122 Y158	P120-T124 HydrophobicContact CB-CG2 4.05Å; P120-T124 WeakPolarHBondContact CB-OG1 3.45Å; G122-T124 PolarHBondContact O-N 3.29Å; T124-Y158 PolarHBondContact N-OH 3.13Å; T124-Y158 VanDerWaalsContact N-OH 3.16Å
125	V	83.6	Confident	73.2	Confident	48 Å²	48	80.9 Å²	80.9	29%	0.291	50%	0.498	S	S	.	.	S	Bend	trans	-90.4	129.3	177.5	-175.3	0	0	0	0	108.5	F127 H157 Y158	V125-F127 PolarHBondContact O-N 2.87Å; V125-H157 HydrophobicContact CG2-CB 4.41Å; V125-Y158 HydrophobicContact CB-CE2 4.01Å; V125-Y158 PolarHBondContact N-OH 3.33Å
126	K	87.6	Confident	75.6	Confident	172 Å²	172	82 Å²	82	75%	0.748	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-57.7	133.8	177.2	-178	-174.9	173.9	-169.9	0	110.1	E128	K126-E128 PolarHBondContact O-N 3.18Å
127	F	90.1	Very high	78.2	Confident	75 Å²	75	82.5 Å²	82.5	33%	0.329	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-61.5	131.4	176.9	177	-104.8	0	0	0	112.1	V125 P129 I152 M155	V125-F127 PolarHBondContact O-N 2.87Å; F127-P129 HydrophobicContact CE1-CB 3.96Å; F127-P129 HydrophobicContact CE1-CG 4.44Å; F127-P129 HydrophobicContact CZ-CB 3.9Å; F127-I152 HydrophobicContact CD2-CB 4.19Å; F127-I152 HydrophobicContact CD2-CG1 4.47Å; F127-M155 HydrophobicContact CB-SD 4.49Å; F127-M155 HydrophobicContact CD2-CG 4.36Å; F127-M155 HydrophobicContact CD2-SD 3.53Å; F127-M155 VanDerWaalsContact CD2-SD 3.53Å; F127-M155 HydrophobicContact CE2-CG 4.34Å; F127-M155 HydrophobicContact CE2-SD 4.09Å; F127-M155 HydrophobicContact CG-SD 4.36Å
128	E	90	Very high	80.3	Confident	129 Å²	129	85.9 Å²	85.9	60%	0.603	47%	0.468	S	S	*	.			trans	-132.2	122.8	171.6	-64.2	-173.3	159.7	0	0	108.4	K126 V130 M155	K126-E128 PolarHBondContact O-N 3.18Å; E128-V130 PolarHBondContact O-N 3.36Å; E128-M155 HydrophobicContact CB-CE 4.07Å
129	P	88.7	Confident	82.1	Confident	54 Å²	54	84.8 Å²	84.8	35%	0.351	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-71.8	123.5	-174.1	28	-34	0	0	0	110.9	F127 V131	F127-P129 HydrophobicContact CE1-CB 3.96Å; F127-P129 HydrophobicContact CE1-CG 4.44Å; F127-P129 HydrophobicContact CZ-CB 3.9Å; P129-V131 PolarHBondContact O-N 2.87Å
130	V	89.9	Confident	83.4	Confident	60 Å²	60	85.6 Å²	85.6	36%	0.364	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.9	-180	177.5	0	0	0	0	109.6	E128 K148 H149 S154 M155	E128-V130 PolarHBondContact O-N 3.36Å; V130-K148 WeakPolarHBondContact O-CA 3.46Å; V130-H149 HydrophobicContact CB-CB 4.35Å; V130-H149 PolarHBondContact O-N 2.78Å; V130-S154 WeakPolarHBondContact CG2-O 3.47Å; V130-M155 HydrophobicContact CG2-CG 4.33Å
131	V	90.5	Very high	84.1	Confident	89 Å²	89	87.2 Å²	87.2	54%	0.539	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.4	-175.5	-172.6	0	0	0	0	109.8	P129 T146 T147 K148	P129-V131 PolarHBondContact O-N 2.87Å; V131-T146 HydrophobicContact CG1-CG2 3.4Å; V131-T147 WeakPolarHBondContact CA-O 3.41Å; V131-K148 HydrophobicContact CG2-CG 4.39Å
132	G	87.7	Confident	85.1	Confident	28 Å²	28	92.1 Å²	92.1	29%	0.289	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-179.5	176.1	0	0	0	0	0	112.4	T146 T147	G132-T146 WeakPolarHBondContact O-CA 3.5Å; G132-T147 VanDerWaalsContact C-OG1 3.25Å; G132-T147 WeakPolarHBondContact CA-OG1 3.29Å; G132-T147 PolarHBondContact N-O 3.28Å; G132-T147 PolarHBondContact O-N 3.38Å; G132-T147 PolarHBondContact O-OG1 2.9Å
133	S	89	Confident	85.5	Confident	94 Å²	94	94.6 Å²	94.6	66%	0.657	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.7	169.6	55.4	0	0	0	0	110.4	I145	S133-I145 WeakPolarHBondContact CA-O 3.46Å
134	D	87.6	Confident	85.7	Confident	85 Å²	85	97.1 Å²	97.1	46%	0.455	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	174.7	-176.2	-177.3	23.2	0	0	0	109.1	N144 I145 T147	D134-N144 CarbonylContact O-C 3.53Å; D134-N144 WeakPolarHBondContact O-CA 3.39Å; D134-N144 PolarHBondContact O-ND2 2.98Å; D134-N144 VanDerWaalsContact O-ND2 3.1Å; D134-I145 HydrophobicContact CB-CD1 4.26Å; D134-I145 HydrophobicContact CB-CG1 4Å; D134-I145 PolarHBondContact N-O 2.93Å; D134-I145 WeakPolarHBondContact O-CG1 3.47Å; D134-I145 PolarHBondContact O-N 2.86Å; D134-T147 HydrophobicContact CB-CG2 3.61Å
135	T	88.9	Confident	86.1	Confident	62 Å²	62	96.1 Å²	96.1	38%	0.38	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	111.6	176.2	62.4	0	0	0	0	112.7	Q142 T143	T135-Q142 HydrophobicContact CG2-CG 4.29Å; T135-Q142 PolarHBondContact OG1-NE2 2.59Å; T135-T143 CarbonylContact C-O 3.55Å; T135-T143 VanDerWaalsContact CA-O 3.29Å; T135-T143 WeakPolarHBondContact CA-O 3.19Å
136	M	83.3	Confident	86.4	Confident	100 Å²	100	98.6 Å²	98.6	49%	0.493	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.9	175.1	-178	176.6	-74	0	0	110.7	R138 T143 I145	M136-R138 PolarHBondContact O-N 3.27Å; M136-T143 PolarHBondContact N-O 3.34Å; M136-T143 PolarHBondContact O-N 3.16Å; M136-T143 PolarHBondContact O-OG1 2.95Å; M136-I145 HydrophobicContact CB-CD1 3.93Å; M136-I145 HydrophobicContact CB-CG1 4.28Å; M136-I145 HydrophobicContact CB-CG2 4.15Å; M136-I145 HydrophobicContact CE-CD1 4.16Å
137	L	88.2	Confident	86.4	Confident	124 Å²	124	92.1 Å²	92.1	65%	0.649	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.1	169.8	-172.5	69.9	0	0	0	109.3	Q142	L137-Q142 HydrophobicContact CD1-CB 4.47Å
138	R	79.1	Confident	86.5	Confident	172 Å²	172	94.8 Å²	94.8	65%	0.649	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.4	178.3	-169.7	171.1	-176.3	172.1	2.2	109.8	M136 S140 I141	M136-R138 PolarHBondContact O-N 3.27Å; R138-S140 PolarHBondContact O-N 2.83Å; R138-I141 PolarHBondContact N-O 3.09Å; R138-I141 PolarHBondContact O-N 3.5Å; R138-I141 VanDerWaalsContact O-O 3.1Å
139	N	80.8	Confident	86.5	Confident	144 Å²	144	93.1 Å²	93.1	77%	0.77	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40.4	-175.2	-57	22.1	0	0	0	112.6	I141	N139-I141 PolarHBondContact O-N 2.69Å; N139-I141 VanDerWaalsContact O-N 3.16Å
140	S	79.4	Confident	86.6	Confident	114 Å²	114	97.1 Å²	97.1	80%	0.797	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	12.6	-173.9	-53.1	0	0	0	0	116.1	R138	R138-S140 PolarHBondContact O-N 2.83Å
141	I	74.1	Confident	86.7	Confident	115 Å²	115	96.1 Å²	96.1	59%	0.59	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.4	172.2	-60.2	175.6	0	0	0	108.6	R138 N139 T143	R138-I141 PolarHBondContact N-O 3.09Å; R138-I141 PolarHBondContact O-N 3.5Å; R138-I141 VanDerWaalsContact O-O 3.1Å; N139-I141 PolarHBondContact O-N 2.69Å; N139-I141 VanDerWaalsContact O-N 3.16Å; I141-T143 HydrophobicContact CG2-CG2 4.29Å; I141-T143 PolarHBondContact O-N 2.91Å
142	Q	85.9	Confident	86.7	Confident	136 Å²	136	93.4 Å²	93.4	64%	0.636	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.3	175.2	-171.3	177.1	16.6	0	0	109.2	T135 L137	T135-Q142 HydrophobicContact CG2-CG 4.29Å; T135-Q142 PolarHBondContact OG1-NE2 2.59Å; L137-Q142 HydrophobicContact CD1-CB 4.47Å
143	T	86.5	Confident	86.9	Confident	53 Å²	53	93.7 Å²	93.7	33%	0.325	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.9	-178.4	57.8	0	0	0	0	110.1	T135 M136 I141	T135-T143 CarbonylContact C-O 3.55Å; T135-T143 VanDerWaalsContact CA-O 3.29Å; T135-T143 WeakPolarHBondContact CA-O 3.19Å; M136-T143 PolarHBondContact N-O 3.34Å; M136-T143 PolarHBondContact O-N 3.16Å; M136-T143 PolarHBondContact O-OG1 2.95Å; I141-T143 HydrophobicContact CG2-CG2 4.29Å; I141-T143 PolarHBondContact O-N 2.91Å
144	N	87.4	Confident	86.8	Confident	115 Å²	115	91.5 Å²	91.5	62%	0.615	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.9	173	-171.3	-99.4	0	0	0	109.8	D134	D134-N144 CarbonylContact O-C 3.53Å; D134-N144 WeakPolarHBondContact O-CA 3.39Å; D134-N144 PolarHBondContact O-ND2 2.98Å; D134-N144 VanDerWaalsContact O-ND2 3.1Å
145	I	89.8	Confident	86.9	Confident	50 Å²	50	87.9 Å²	87.9	26%	0.256	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.8	-177.4	56	158.6	0	0	0	110.6	S133 D134 M136 T147	S133-I145 WeakPolarHBondContact CA-O 3.46Å; D134-I145 HydrophobicContact CB-CD1 4.26Å; D134-I145 HydrophobicContact CB-CG1 4Å; D134-I145 PolarHBondContact N-O 2.93Å; D134-I145 WeakPolarHBondContact O-CG1 3.47Å; D134-I145 PolarHBondContact O-N 2.86Å; M136-I145 HydrophobicContact CB-CD1 3.93Å; M136-I145 HydrophobicContact CB-CG1 4.28Å; M136-I145 HydrophobicContact CB-CG2 4.15Å; M136-I145 HydrophobicContact CE-CD1 4.16Å; I145-T147 HydrophobicContact CD1-CG2 4.42Å
146	T	89.6	Confident	86.9	Confident	99 Å²	99	93.8 Å²	93.8	61%	0.607	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	118	173.6	-52.9	0	0	0	0	109.8	V131 G132	V131-T146 HydrophobicContact CG1-CG2 3.4Å; G132-T146 WeakPolarHBondContact O-CA 3.5Å
147	T	88	Confident	87.1	Confident	37 Å²	37	95.1 Å²	95.1	23%	0.227	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	153.5	174.7	55.7	0	0	0	0	110.7	V131 G132 D134 I145	V131-T147 WeakPolarHBondContact CA-O 3.41Å; G132-T147 VanDerWaalsContact C-OG1 3.25Å; G132-T147 WeakPolarHBondContact CA-OG1 3.29Å; G132-T147 PolarHBondContact N-O 3.28Å; G132-T147 PolarHBondContact O-N 3.38Å; G132-T147 PolarHBondContact O-OG1 2.9Å; D134-T147 HydrophobicContact CB-CG2 3.61Å; I145-T147 HydrophobicContact CD1-CG2 4.42Å
148	K	91.4	Very high	87.2	Confident	131 Å²	131	89.6 Å²	89.6	57%	0.57	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	111.1	175	-65.3	-172.7	-179.4	179.5	0	109.5	V130 V131 Q150	V130-K148 WeakPolarHBondContact O-CA 3.46Å; V131-K148 HydrophobicContact CG2-CG 4.39Å; K148-Q150 PolarHBondContact O-N 2.97Å
149	H	90.4	Very high	87.6	Confident	93 Å²	93	88.6 Å²	88.6	43%	0.431	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	106.2	178.2	-65.4	-97.8	0	0	0	109.3	V130 C151	V130-H149 HydrophobicContact CB-CB 4.35Å; V130-H149 PolarHBondContact O-N 2.78Å; H149-C151 PolarHBondContact O-N 3.03Å
150	Q	92.1	Very high	88	Confident	138 Å²	138	85.3 Å²	85.3	65%	0.645	46%	0.459	S	S	*	.			trans	-86.2	34.1	180	-62	-69.8	12.6	0	0	112.5	K148	K148-Q150 PolarHBondContact O-N 2.97Å
151	C	90.5	Very high	88.4	Confident	39 Å²	39	82.3 Å²	82.3	26%	0.264	43%	0.431	S	S	.	.			trans	-125	133.3	-179.3	-169.2	0	0	0	0	110.6	H149 T153 S154	H149-C151 PolarHBondContact O-N 3.03Å; C151-T153 VanDerWaalsContact C-N 3.31Å; C151-T153 PolarHBondContact O-N 2.95Å; C151-T153 PolarHBondContact SG-OG1 3.47Å; C151-S154 WeakPolarHBondContact O-CB 3.46Å; C151-S154 PolarHBondContact O-N 2.91Å; C151-S154 VanDerWaalsContact O-N 3.12Å
152	I	90.4	Very high	89.2	Confident	32 Å²	32	79.2 Å²	79.2	16%	0.164	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-65.1	-33.2	-178.2	-171.8	155.6	0	0	0	112.5	T123 F127 S154 M155 Y158 L163 L166	T123-I152 HydrophobicContact CG2-CD1 3.55Å; F127-I152 HydrophobicContact CD2-CB 4.19Å; F127-I152 HydrophobicContact CD2-CG1 4.47Å; I152-S154 PolarHBondContact O-N 2.86Å; I152-M155 HydrophobicContact CG1-SD 4.18Å; I152-M155 VanDerWaalsContact O-CB 3.27Å; I152-M155 WeakPolarHBondContact O-CB 3.37Å; I152-M155 WeakPolarHBondContact O-CG 3.29Å; I152-M155 PolarHBondContact O-N 2.84Å; I152-Y158 HydrophobicContact CD1-CD2 3.98Å; I152-Y158 HydrophobicContact CD1-CE2 3.86Å; I152-Y158 HydrophobicContact CG1-CD2 3.41Å; I152-Y158 VanDerWaalsContact CG1-CD2 3.41Å; I152-Y158 HydrophobicContact CG1-CE2 3.82Å; I152-Y158 HydrophobicContact CG1-CG 4.17Å; I152-Y158 WeakPolarHBondContact O-CB 3.34Å; I152-L163 HydrophobicContact CG2-CD2 3.68Å; I152-L166 HydrophobicContact CG2-CD1 3.96Å
153	T	92.1	Very high	89.5	Confident	35 Å²	35	76.8 Å²	76.8	22%	0.215	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-70.2	-15.1	176.2	61.1	0	0	0	0	113.1	C151 M155 E159 K161 L163 L166	C151-T153 VanDerWaalsContact C-N 3.31Å; C151-T153 PolarHBondContact O-N 2.95Å; C151-T153 PolarHBondContact SG-OG1 3.47Å; T153-M155 PolarHBondContact O-N 2.84Å; T153-E159 VanDerWaalsContact O-CA 3.28Å; T153-E159 WeakPolarHBondContact O-CA 3.48Å; T153-E159 PolarHBondContact O-N 3.01Å; T153-K161 WeakPolarHBondContact CG2-O 3.16Å; T153-L163 HydrophobicContact CG2-CD2 3.94Å; T153-L163 HydrophobicContact CG2-CG 4.07Å; T153-L166 HydrophobicContact CG2-CD1 4.12Å
154	S	87.6	Confident	89.6	Confident	48 Å²	48	80.1 Å²	80.1	34%	0.336	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-75.6	-11.5	169.6	-52.6	0	0	0	0	112.9	V130 C151 I152	V130-S154 WeakPolarHBondContact CG2-O 3.47Å; C151-S154 WeakPolarHBondContact O-CB 3.46Å; C151-S154 PolarHBondContact O-N 2.91Å; C151-S154 VanDerWaalsContact O-N 3.12Å; I152-S154 PolarHBondContact O-N 2.86Å
155	M	90.4	Very high	89.8	Confident	8 Å²	8	78.6 Å²	78.6	4%	0.039	41%	0.412	C	S	.	.	S	Bend	trans	-79	140.5	175	-59.1	178.3	67.1	0	0	111.1	F127 E128 V130 I152 T153 H157 Y158 E159	F127-M155 HydrophobicContact CB-SD 4.49Å; F127-M155 HydrophobicContact CD2-CG 4.36Å; F127-M155 HydrophobicContact CD2-SD 3.53Å; F127-M155 VanDerWaalsContact CD2-SD 3.53Å; F127-M155 HydrophobicContact CE2-CG 4.34Å; F127-M155 HydrophobicContact CE2-SD 4.09Å; F127-M155 HydrophobicContact CG-SD 4.36Å; E128-M155 HydrophobicContact CB-CE 4.07Å; V130-M155 HydrophobicContact CG2-CG 4.33Å; I152-M155 HydrophobicContact CG1-SD 4.18Å; I152-M155 VanDerWaalsContact O-CB 3.27Å; I152-M155 WeakPolarHBondContact O-CB 3.37Å; I152-M155 WeakPolarHBondContact O-CG 3.29Å; I152-M155 PolarHBondContact O-N 2.84Å; T153-M155 PolarHBondContact O-N 2.84Å; M155-H157 PolarHBondContact O-N 3.01Å; M155-Y158 HydrophobicContact CB-CD2 4.4Å; M155-Y158 CarbonylContact O-C 3.54Å; M155-Y158 PolarHBondContact O-N 3.4Å; M155-E159 PolarHBondContact O-N 2.86Å
156	K	88.6	Confident	89.8	Confident	186 Å²	186	76.4 Å²	76.4	81%	0.809	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-21.3	177.2	-173.7	173.5	-179.4	177.6	0	115.6	Y158	K156-Y158 VanDerWaalsContact C-N 3.33Å
157	H	87.3	Confident	89.8	Confident	129 Å²	129	79.2 Å²	79.2	60%	0.597	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17.6	175.8	-61.5	106.1	0	0	0	113.6	V125 M155	V125-H157 HydrophobicContact CG2-CB 4.41Å; M155-H157 PolarHBondContact O-N 3.01Å
158	Y	89.2	Confident	89.8	Confident	7 Å²	7	81.3 Å²	81.3	3%	0.027	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-0	-165.7	-61.6	-54.6	0	0	0	114.3	G122 T123 T124 V125 I152 M155 K156 G160 K161 L166	G122-Y158 PolarHBondContact O-OH 3.24Å; T123-Y158 WeakPolarHBondContact CA-OH 3.47Å; T124-Y158 PolarHBondContact N-OH 3.13Å; T124-Y158 VanDerWaalsContact N-OH 3.16Å; V125-Y158 HydrophobicContact CB-CE2 4.01Å; V125-Y158 PolarHBondContact N-OH 3.33Å; I152-Y158 HydrophobicContact CD1-CD2 3.98Å; I152-Y158 HydrophobicContact CD1-CE2 3.86Å; I152-Y158 HydrophobicContact CG1-CD2 3.41Å; I152-Y158 VanDerWaalsContact CG1-CD2 3.41Å; I152-Y158 HydrophobicContact CG1-CE2 3.82Å; I152-Y158 HydrophobicContact CG1-CG 4.17Å; I152-Y158 WeakPolarHBondContact O-CB 3.34Å; M155-Y158 HydrophobicContact CB-CD2 4.4Å; M155-Y158 CarbonylContact O-C 3.54Å; M155-Y158 PolarHBondContact O-N 3.4Å; K156-Y158 VanDerWaalsContact C-N 3.33Å; Y158-G160 PolarHBondContact O-N 2.84Å; Y158-K161 PolarHBondContact O-N 3.26Å; Y158-L166 HydrophobicContact CD1-CD1 4.2Å; Y158-L166 HydrophobicContact CD1-CD2 3.47Å; Y158-L166 VanDerWaalsContact CD1-CD2 3.47Å; Y158-L166 HydrophobicContact CD1-CG 4.48Å; Y158-L166 HydrophobicContact CE1-CD2 3.74Å; Y158-L166 HydrophobicContact CG-CD1 4.21Å; Y158-L166 HydrophobicContact CG-CD2 4.29Å
159	E	88.6	Confident	89.7	Confident	151 Å²	151	76.9 Å²	76.9	71%	0.706	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-27.1	175.5	-171.7	179.4	176.3	0	0	114.5	T153 M155	T153-E159 VanDerWaalsContact O-CA 3.28Å; T153-E159 WeakPolarHBondContact O-CA 3.48Å; T153-E159 PolarHBondContact O-N 3.01Å; M155-E159 PolarHBondContact O-N 2.86Å
160	G	88.3	Confident	89.6	Confident	76 Å²	76	73.2 Å²	73.2	78%	0.784	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	8.8	177.9	0	0	0	0	0	116.1	Y158	Y158-G160 PolarHBondContact O-N 2.84Å
161	K	88.2	Confident	89.3	Confident	50 Å²	50	71.7 Å²	71.7	22%	0.217	37%	0.367	C	S	.	.	S	Bend	trans	-131.6	151.9	-174.7	-67.2	-169.4	160.4	175.7	0	112.7	T153 Y158 E165 L166 E169	T153-K161 WeakPolarHBondContact CG2-O 3.16Å; Y158-K161 PolarHBondContact O-N 3.26Å; K161-E165 WeakPolarHBondContact CA-OE2 3.44Å; K161-E165 WeakPolarHBondContact CB-OE2 3.2Å; K161-E165 HydrophobicContact CD-CG 4.48Å; K161-E165 VanDerWaalsContact CE-OE1 3.26Å; K161-E165 WeakPolarHBondContact CE-OE1 3.35Å; K161-L166 HydrophobicContact CB-CD2 4.2Å; K161-L166 HydrophobicContact CB-CG 4.13Å; K161-L166 HydrophobicContact CD-CD2 3.7Å; K161-L166 HydrophobicContact CD-CG 4.43Å; K161-E169 IonicContact NZ-OE1 2.7Å; K161-E169 PolarHBondContact NZ-OE1 2.82Å; K161-E169 IonicContact NZ-OE2 2.67Å; K161-E169 PolarHBondContact NZ-OE2 3.32Å
162	S	91.8	Very high	89.2	Confident	50 Å²	50	76.5 Å²	76.5	35%	0.35	39%	0.389	S	S	.	.			trans	-85.4	165.3	171.9	98	0	0	0	0	112.3	E164 E165 L166	S162-E164 WeakPolarHBondContact CB-OE2 3.44Å; S162-E164 PolarHBondContact O-N 3.37Å; S162-E164 PolarHBondContact OG-N 3.27Å; S162-E164 PolarHBondContact OG-OE2 3.02Å; S162-E165 PolarHBondContact N-OE2 2.85Å; S162-E165 PolarHBondContact O-N 3.43Å; S162-E165 PolarHBondContact OG-N 3.03Å; S162-E165 VanDerWaalsContact OG-N 3.09Å; S162-L166 WeakPolarHBondContact O-CG 3.35Å; S162-L166 PolarHBondContact O-N 3.42Å; S162-L166 VanDerWaalsContact O-N 3.1Å
163	L	90.4	Very high	88.8	Confident	86 Å²	86	77.1 Å²	77.1	45%	0.45	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-35	174.9	-69.9	169.3	0	0	0	111.4	I152 T153 R167	I152-L163 HydrophobicContact CG2-CD2 3.68Å; T153-L163 HydrophobicContact CG2-CD2 3.94Å; T153-L163 HydrophobicContact CG2-CG 4.07Å; L163-R167 WeakPolarHBondContact O-CB 3.34Å; L163-R167 PolarHBondContact O-N 2.86Å
164	E	89.8	Confident	88.2	Confident	123 Å²	123	80.9 Å²	80.9	58%	0.575	42%	0.418	S	S	*	.	H	α-helix	trans	-70.7	-42.4	178.1	-55	64.5	-135.4	0	0	110.6	S162 R167 V168	S162-E164 WeakPolarHBondContact CB-OE2 3.44Å; S162-E164 PolarHBondContact O-N 3.37Å; S162-E164 PolarHBondContact OG-N 3.27Å; S162-E164 PolarHBondContact OG-OE2 3.02Å; E164-R167 PolarHBondContact O-N 2.93Å; E164-V168 WeakPolarHBondContact O-CB 3.48Å; E164-V168 VanDerWaalsContact O-CG2 3.27Å; E164-V168 WeakPolarHBondContact O-CG2 3.4Å; E164-V168 PolarHBondContact O-N 3.23Å
165	E	90.2	Very high	87.6	Confident	83 Å²	83	83.2 Å²	83.2	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-60.9	-49.2	175.7	-173.1	-174.8	167.9	0	0	111.3	K161 S162 R167 V168 E169	K161-E165 WeakPolarHBondContact CA-OE2 3.44Å; K161-E165 WeakPolarHBondContact CB-OE2 3.2Å; K161-E165 HydrophobicContact CD-CG 4.48Å; K161-E165 VanDerWaalsContact CE-OE1 3.26Å; K161-E165 WeakPolarHBondContact CE-OE1 3.35Å; S162-E165 PolarHBondContact N-OE2 2.85Å; S162-E165 PolarHBondContact O-N 3.43Å; S162-E165 PolarHBondContact OG-N 3.03Å; S162-E165 VanDerWaalsContact OG-N 3.09Å; E165-R167 VanDerWaalsContact C-N 3.35Å; E165-R167 PolarHBondContact O-N 3.5Å; E165-V168 PolarHBondContact O-N 3.28Å; E165-E169 WeakPolarHBondContact O-CG 3.22Å; E165-E169 PolarHBondContact O-N 3.2Å
166	L	90.5	Very high	86.5	Confident	3 Å²	3	88.7 Å²	88.7	2%	0.016	44%	0.443	C	S	.	.	H	α-helix	trans	-59.1	-46.2	175.5	-67.5	170.8	0	0	0	111.3	T123 I152 T153 Y158 K161 S162 V168 E169 D170	T123-L166 HydrophobicContact CG2-CB 4.14Å; T123-L166 HydrophobicContact CG2-CD1 4.43Å; I152-L166 HydrophobicContact CG2-CD1 3.96Å; T153-L166 HydrophobicContact CG2-CD1 4.12Å; Y158-L166 HydrophobicContact CD1-CD1 4.2Å; Y158-L166 HydrophobicContact CD1-CD2 3.47Å; Y158-L166 VanDerWaalsContact CD1-CD2 3.47Å; Y158-L166 HydrophobicContact CD1-CG 4.48Å; Y158-L166 HydrophobicContact CE1-CD2 3.74Å; Y158-L166 HydrophobicContact CG-CD1 4.21Å; Y158-L166 HydrophobicContact CG-CD2 4.29Å; K161-L166 HydrophobicContact CB-CD2 4.2Å; K161-L166 HydrophobicContact CB-CG 4.13Å; K161-L166 HydrophobicContact CD-CD2 3.7Å; K161-L166 HydrophobicContact CD-CG 4.43Å; S162-L166 WeakPolarHBondContact O-CG 3.35Å; S162-L166 PolarHBondContact O-N 3.42Å; S162-L166 VanDerWaalsContact O-N 3.1Å; L166-V168 VanDerWaalsContact C-N 3.32Å; L166-V168 PolarHBondContact O-N 3.13Å; L166-E169 PolarHBondContact O-N 3.4Å; L166-D170 PolarHBondContact O-N 3.44Å; L166-D170 VanDerWaalsContact O-OD2 3.09Å
167	R	90.4	Very high	85.5	Confident	158 Å²	158	82.5 Å²	82.5	60%	0.596	43%	0.432	S	S	*	.	H	α-helix	trans	-63	-36.1	178	-176.3	172.2	-177.8	168.7	-3	112.6	L163 E164 E165 Y171	L163-R167 WeakPolarHBondContact O-CB 3.34Å; L163-R167 PolarHBondContact O-N 2.86Å; E164-R167 PolarHBondContact O-N 2.93Å; E165-R167 VanDerWaalsContact C-N 3.35Å; E165-R167 PolarHBondContact O-N 3.5Å; R167-Y171 HydrophobicContact CG-CD2 3.9Å; R167-Y171 HydrophobicContact CG-CE2 3.57Å; R167-Y171 PolarHBondContact NE-OH 3.43Å; R167-Y171 PolarHBondContact NH2-OH 2.92Å; R167-Y171 WeakPolarHBondContact O-CB 3.39Å; R167-Y171 WeakPolarHBondContact O-CD2 3.24Å; R167-Y171 PolarHBondContact O-N 2.93Å
168	V	86.6	Confident	84.1	Confident	81 Å²	81	82.8 Å²	82.8	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-67.2	-45.3	173.1	165.4	0	0	0	0	110.6	E164 E165 L166 D170 Y171 L172	E164-V168 WeakPolarHBondContact O-CB 3.48Å; E164-V168 VanDerWaalsContact O-CG2 3.27Å; E164-V168 WeakPolarHBondContact O-CG2 3.4Å; E164-V168 PolarHBondContact O-N 3.23Å; E165-V168 PolarHBondContact O-N 3.28Å; L166-V168 VanDerWaalsContact C-N 3.32Å; L166-V168 PolarHBondContact O-N 3.13Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 2.87Å; V168-Y171 PolarHBondContact O-N 2.84Å; V168-L172 HydrophobicContact CG1-CD1 3.8Å; V168-L172 HydrophobicContact CG1-CG 4.34Å; V168-L172 WeakPolarHBondContact O-CB 3.41Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.21Å; V168-L172 PolarHBondContact O-N 3.36Å
169	E	89.2	Confident	82.2	Confident	39 Å²	39	90.1 Å²	90.1	18%	0.182	48%	0.48	C	S	.	.	H	α-helix	trans	-61.1	-39.9	175.3	-72	-174.9	134	0	0	112.6	A121 G122 K161 E165 L166 L172 A173	A121-E169 HydrophobicContact CB-CB 4.3Å; A121-E169 HydrophobicContact CB-CG 4.29Å; G122-E169 PolarHBondContact N-OE2 3Å; K161-E169 IonicContact NZ-OE1 2.7Å; K161-E169 PolarHBondContact NZ-OE1 2.82Å; K161-E169 IonicContact NZ-OE2 2.67Å; K161-E169 PolarHBondContact NZ-OE2 3.32Å; E165-E169 WeakPolarHBondContact O-CG 3.22Å; E165-E169 PolarHBondContact O-N 3.2Å; L166-E169 PolarHBondContact O-N 3.4Å; E169-L172 PolarHBondContact O-N 3.12Å; E169-A173 VanDerWaalsContact O-CB 3.22Å; E169-A173 WeakPolarHBondContact O-CB 3.44Å; E169-A173 PolarHBondContact O-N 3.43Å
170	D	88.7	Confident	80	Confident	15 Å²	15	91.2 Å²	91.2	8%	0.08	49%	0.485	C	S	.	.	H	α-helix	trans	-69.8	-37	174.7	-78.9	-64.2	0	0	0	113.2	G122 T123 L166 V168 A173 N174 R175	G122-D170 WeakPolarHBondContact CA-OD2 3.47Å; T123-D170 WeakPolarHBondContact CG2-OD2 3.27Å; T123-D170 PolarHBondContact N-OD1 3.46Å; T123-D170 PolarHBondContact N-OD2 3.27Å; T123-D170 PolarHBondContact OG1-OD2 3.22Å; L166-D170 PolarHBondContact O-N 3.44Å; L166-D170 VanDerWaalsContact O-OD2 3.09Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 2.87Å; D170-A173 CarbonylContact O-C 3.58Å; D170-A173 PolarHBondContact O-N 3.18Å; D170-N174 CarbonylContact O-C 3.31Å; D170-N174 PolarHBondContact O-N 3.42Å; D170-N174 VanDerWaalsContact O-N 3.07Å; D170-R175 HydrophobicContact CB-CB 4.38Å; D170-R175 PolarHBondContact O-N 3.05Å; D170-R175 IonicContact OD1-CZ 3.97Å; D170-R175 IonicContact OD1-NE 2.93Å; D170-R175 PolarHBondContact OD1-NE 2.98Å; D170-R175 IonicContact OD1-NH2 2.73Å; D170-R175 PolarHBondContact OD1-NH2 3.27Å
171	Y	87.1	Confident	77.9	Confident	106 Å²	106	92.6 Å²	92.6	42%	0.416	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-42.6	171.1	-80.9	-46.7	0	0	0	112	R167 V168 A173 N174 K176	R167-Y171 HydrophobicContact CG-CD2 3.9Å; R167-Y171 HydrophobicContact CG-CE2 3.57Å; R167-Y171 PolarHBondContact NE-OH 3.43Å; R167-Y171 PolarHBondContact NH2-OH 2.92Å; R167-Y171 WeakPolarHBondContact O-CB 3.39Å; R167-Y171 WeakPolarHBondContact O-CD2 3.24Å; R167-Y171 PolarHBondContact O-N 2.93Å; V168-Y171 PolarHBondContact O-N 2.84Å; Y171-A173 VanDerWaalsContact C-N 3.34Å; Y171-N174 PolarHBondContact O-N 3.07Å; Y171-K176 HydrophobicContact CD1-CD 3.93Å; Y171-K176 HydrophobicContact CD1-CG 3.96Å; Y171-K176 HydrophobicContact CE1-CD 4.16Å; Y171-K176 HydrophobicContact CE1-CG 4.31Å
172	L	86.6	Confident	75.5	Confident	140 Å²	140	93.9 Å²	93.9	73%	0.733	52%	0.516	S	S	*	.	H	α-helix	trans	-66.6	-34.7	175.7	-70.2	170.1	0	0	0	112	V168 E169 N174	V168-L172 HydrophobicContact CG1-CD1 3.8Å; V168-L172 HydrophobicContact CG1-CG 4.34Å; V168-L172 WeakPolarHBondContact O-CB 3.41Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.21Å; V168-L172 PolarHBondContact O-N 3.36Å; E169-L172 PolarHBondContact O-N 3.12Å; L172-N174 PolarHBondContact O-N 2.85Å
173	A	82.9	Confident	72.7	Confident	45 Å²	45	96.3 Å²	96.3	37%	0.372	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.9	173.5	0	0	0	0	0	114	E169 D170 Y171 R175	E169-A173 VanDerWaalsContact O-CB 3.22Å; E169-A173 WeakPolarHBondContact O-CB 3.44Å; E169-A173 PolarHBondContact O-N 3.43Å; D170-A173 CarbonylContact O-C 3.58Å; D170-A173 PolarHBondContact O-N 3.18Å; Y171-A173 VanDerWaalsContact C-N 3.34Å; A173-R175 HydrophobicContact CB-CG 4.43Å; A173-R175 PolarHBondContact O-N 2.67Å; A173-R175 VanDerWaalsContact O-N 3.12Å
174	N	79.7	Confident	70	Confident	114 Å²	114	100.8 Å²	100.8	61%	0.61	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.7	14.1	-174.7	-80.8	-51.4	0	0	0	116.4	D170 Y171 L172 K176	D170-N174 CarbonylContact O-C 3.31Å; D170-N174 PolarHBondContact O-N 3.42Å; D170-N174 VanDerWaalsContact O-N 3.07Å; Y171-N174 PolarHBondContact O-N 3.07Å; L172-N174 PolarHBondContact O-N 2.85Å; N174-K176 PolarHBondContact O-N 3.3Å
175	R	75.3	Confident	67.7	Low	98 Å²	98	98.3 Å²	98.3	37%	0.37	56%	0.564	S	S	.	*			trans	-83	65.7	177.2	-64.6	-171.4	-56	-106.7	-6.8	111	A121 D170 A173 G177	A121-R175 PolarHBondContact O-NH2 2.77Å; D170-R175 HydrophobicContact CB-CB 4.38Å; D170-R175 PolarHBondContact O-N 3.05Å; D170-R175 IonicContact OD1-CZ 3.97Å; D170-R175 IonicContact OD1-NE 2.93Å; D170-R175 PolarHBondContact OD1-NE 2.98Å; D170-R175 IonicContact OD1-NH2 2.73Å; D170-R175 PolarHBondContact OD1-NH2 3.27Å; A173-R175 HydrophobicContact CB-CG 4.43Å; A173-R175 PolarHBondContact O-N 2.67Å; A173-R175 VanDerWaalsContact O-N 3.12Å; R175-G177 PolarHBondContact O-N 2.93Å
176	K	66.7	Low	65	Low	123 Å²	123	105 Å²	105	54%	0.535	59%	0.592	S	S	.	*			trans	-77.6	67.1	-173.7	-54.8	-159.8	-178	-170.1	0	112.5	Y171 N174	Y171-K176 HydrophobicContact CD1-CD 3.93Å; Y171-K176 HydrophobicContact CD1-CG 3.96Å; Y171-K176 HydrophobicContact CE1-CD 4.16Å; Y171-K176 HydrophobicContact CE1-CG 4.31Å; N174-K176 PolarHBondContact O-N 3.3Å
177	G	68	Low	62.6	Low	56 Å²	56	108 Å²	108	58%	0.577	62%	0.624	S	S	*	*	S	Bend	trans	66.6	-160.2	179	0	0	0	0	0	113.5	R175 Q179	R175-G177 PolarHBondContact O-N 2.93Å; G177-Q179 PolarHBondContact O-N 3.4Å
178	P	58.4	Low	60.2	Low	135 Å²	135	107.3 Å²	107.3	88%	0.877	64%	0.637	S	S	*	*			trans	-71.6	93.8	177	29.9	-33.8	0	0	0	110.6	Q180	P178-Q180 PolarHBondContact O-N 3.07Å
179	Q	49.6	Very low	57.9	Low	160 Å²	160	109.4 Å²	109.4	75%	0.748	66%	0.655	S	S	*	*			trans	-68.2	93.9	168.6	-66.9	-163.1	-73.6	0	0	109.9	G177 A181	G177-Q179 PolarHBondContact O-N 3.4Å; Q179-A181 PolarHBondContact O-N 2.79Å
180	Q	42.7	Very low	55.6	Low	175 Å²	175	113.1 Å²	113.1	82%	0.818	69%	0.685	S	S	*	*			trans	-65.4	114.7	175.7	-171.6	170.3	1.1	0	0	109.7	P178 G182	P178-Q180 PolarHBondContact O-N 3.07Å; Q180-G182 PolarHBondContact O-N 2.79Å
181	A	42.8	Very low	53.3	Low	105 Å²	105	120.7 Å²	120.7	87%	0.868	72%	0.72	S	S	*	*	S	Bend	trans	-71.2	87.6	-176.8	0	0	0	0	0	111.5	Q179	Q179-A181 PolarHBondContact O-N 2.79Å
182	G	38.1	Very low	50.8	Low	76 Å²	76	122.1 Å²	122.1	78%	0.784	74%	0.742	S	S	*	*	S	Bend	trans	75.9	84.2	164.1	0	0	0	0	0	116.3	Q180	Q180-G182 PolarHBondContact O-N 2.79Å
183	S	34	Very low	48.5	Very low	102 Å²	102	124 Å²	124	71%	0.713	75%	0.747	S	S	*	*			trans	-156.2	146.1	139.3	-163.7	0	0	0	0	112.2
184	L	33.2	Very low	46.4	Very low	179 Å²	179	129.5 Å²	129.5	94%	0.937	77%	0.771	S	S	*	*			trans	-49.2	124.1	-177.9	-56.2	161.7	0	0	0	113.5
185	G	40.1	Very low	44.4	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	78%	0.784	S	S	*	*			trans	-176.1	106.7	176.1	0	0	0	0	0	114.4
186	F	35.5	Very low	42.9	Very low	223 Å²	223	135.5 Å²	135.5	98%	0.978	80%	0.801	S	S	*	*	S	Bend	trans	-14.3	133.4	169	-167.7	-97.4	0	0	0	118.9
187	G	39.6	Very low	42	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	82%	0.815	S	S	*	*			trans	137.1	-17.1	148.4	0	0	0	0	0	120
188	V	40	Very low	40.8	Very low	145 Å²	145	143.3 Å²	143.3	88%	0.879	83%	0.826	S	S	*	*			trans	-102.1	109.3	-173.6	-73.9	0	0	0	0	114.4	S190	V188-S190 PolarHBondContact O-N 2.73Å
189	S	37.7	Very low	39.9	Very low	125 Å²	125	140.5 Å²	140.5	87%	0.874	82%	0.822	S	S	*	*			trans	-71.4	105.8	168.8	55.3	0	0	0	0	111.1
190	S	40.3	Very low	39.2	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	83%	0.826	S	S	*	*			trans	-74	165.9	167.6	52.6	0	0	0	0	111.8	V188	V188-S190 PolarHBondContact O-N 2.73Å
191	Q	41.2	Very low	38.9	Very low	175 Å²	175	136.7 Å²	136.7	82%	0.818	83%	0.826	S	S	*	*			trans	-53.9	152.5	-167.2	-68.1	168.5	-96.1	0	0	115	Q193	Q191-Q193 PolarHBondContact O-N 3.1Å
192	P	33.9	Very low	38.5	Very low	135 Å²	135	137.4 Å²	137.4	88%	0.877	83%	0.825	S	S	*	*			trans	-70.1	89.3	178.9	29.9	-36.3	0	0	0	112.5
193	Q	38.3	Very low	38.5	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	83%	0.828	S	S	*	*			trans	-112.6	69	162.7	-71.6	-154.6	-84.2	0	0	111.9	Q191 R195	Q191-Q193 PolarHBondContact O-N 3.1Å; Q193-R195 PolarHBondContact O-N 2.93Å
194	N	38.6	Very low	38.7	Very low	161 Å²	161	140 Å²	140	86%	0.861	83%	0.832	S	S	*	*			trans	36.9	74	142.3	-167	13.2	0	0	0	117
195	R	38.1	Very low	39	Very low	235 Å²	235	136.5 Å²	136.5	89%	0.887	83%	0.828	S	S	*	*			trans	-138.9	117.9	159.6	-95.1	-177.6	174.9	168	-0.2	110.1	Q193	Q193-R195 PolarHBondContact O-N 2.93Å
196	S	43.8	Very low	38.9	Very low	103 Å²	103	140 Å²	140	72%	0.72	84%	0.835	S	S	*	*			trans	-64.5	133.6	171.3	-175.4	0	0	0	0	110	F198	S196-F198 PolarHBondContact OG-O 2.82Å
197	L	48.7	Very low	39.3	Very low	160 Å²	160	132.3 Å²	132.3	84%	0.838	82%	0.819	S	S	*	*	S	Bend	trans	-92.1	-1.6	-179.6	-153	68.6	0	0	0	113.2
198	F	41.9	Very low	39.6	Very low	182 Å²	182	136 Å²	136	80%	0.798	83%	0.828	S	S	*	*	S	Bend	trans	-130.4	118.2	174.2	-63.5	-83.4	0	0	0	109.4	S196	S196-F198 PolarHBondContact OG-O 2.82Å
199	G	40.1	Very low	39.6	Very low	77 Å²	77	134.4 Å²	134.4	79%	0.794	82%	0.824	S	S	*	*			trans	146.8	102.7	-178.6	0	0	0	0	0	112.7
200	S	34.2	Very low	40	Very low	120 Å²	120	134.1 Å²	134.1	84%	0.839	82%	0.817	S	S	*	*			trans	-86.5	110.6	-178.3	54.4	0	0	0	0	112.7
201	T	37.1	Very low	40.1	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	82%	0.823	S	S	*	*			trans	-142.9	131.3	155.8	48.4	0	0	0	0	110.9
202	S	33.9	Very low	40	Very low	121 Å²	121	133.9 Å²	133.9	85%	0.846	82%	0.82	S	S	*	*			trans	-78	123.6	177.4	52.2	0	0	0	0	112.6
203	T	38.3	Very low	40.4	Very low	138 Å²	138	136 Å²	136	85%	0.847	82%	0.818	S	S	*	*			trans	-139.9	140	159.3	-43.1	0	0	0	0	109.4
204	A	39	Very low	40.6	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	81%	0.813	S	S	*	*			trans	-72.9	157.4	-169.3	0	0	0	0	0	114.2
205	A	38.7	Very low	40.5	Very low	104 Å²	104	134.1 Å²	134.1	86%	0.86	81%	0.812	S	S	*	*			trans	-87	140.3	173.7	0	0	0	0	0	112.1
206	T	37.4	Very low	40.3	Very low	146 Å²	146	129.9 Å²	129.9	90%	0.896	81%	0.807	S	S	*	*			trans	-124	138.4	166.2	-53.1	0	0	0	0	107.3
207	G	44.8	Very low	40	Very low	62 Å²	62	134.4 Å²	134.4	64%	0.639	81%	0.814	S	S	*	*			cis	156.4	84.1	-3.4	0	0	0	0	0	112
208	T	45.8	Very low	39.6	Very low	141 Å²	141	133 Å²	133	87%	0.865	82%	0.815	S	S	*	*			trans	-149.4	84.3	175.8	22.9	0	0	0	0	108.1
209	S	38.9	Very low	40	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	82%	0.818	S	S	*	*				75.3	106.3	75.9	-175.1	0	0	0	0	113.4
210	V	46.4	Very low	39.9	Very low	119 Å²	119	138.3 Å²	138.3	72%	0.721	82%	0.823	S	S	*	*			trans	-177.7	132	139.2	140	0	0	0	0	109.8
211	F	42.7	Very low	40	Very low	212 Å²	212	136.3 Å²	136.3	93%	0.93	82%	0.821	S	S	*	*			trans	65	145.8	-173.3	-62	-70.7	0	0	0	117.6
212	G	40.3	Very low	40	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	82%	0.822	S	S	*	*			trans	165.4	-31.8	166.6	0	0	0	0	0	122.6
213	Q	42	Very low	40.2	Very low	179 Å²	179	135.2 Å²	135.2	84%	0.836	82%	0.819	S	S	*	*			trans	62.7	145.3	-179.2	-89.5	-173.3	-80.3	0	0	120.3
214	T	42	Very low	40.2	Very low	119 Å²	119	134 Å²	134	73%	0.73	82%	0.817	S	S	*	*			trans	51.6	123.5	148.3	54.2	0	0	0	0	119.6
215	Q	36.6	Very low	40	Very low	182 Å²	182	139.7 Å²	139.7	85%	0.85	82%	0.824	S	S	*	*			cis	-175.5	151.8	30.8	-176.6	169.6	-0.5	0	0	110.5
216	D	32.9	Very low	40	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	82%	0.82	S	S	*	*			trans	-82.8	140	-171.5	-47.5	-101.7	0	0	0	116.2
217	K	38.3	Very low	40.2	Very low	198 Å²	198	136 Å²	136	86%	0.861	81%	0.81	S	S	*	*				172.2	128.4	112.3	-93.8	166.7	-176.5	178	0	112.9
218	P	40.5	Very low	39.7	Very low	131 Å²	131	139.1 Å²	139.1	85%	0.851	82%	0.817	S	S	*	*			trans	-84.1	143.5	169.5	33.8	-32.6	0	0	0	111.7
219	L	50.2	Low	39.2	Very low	165 Å²	165	141.5 Å²	141.5	86%	0.864	82%	0.818	S	S	*	*			trans	-128.7	131.1	172.9	-175.2	59.2	0	0	0	110.9
220	F	37.4	Very low	39.3	Very low	204 Å²	204	141.1 Å²	141.1	90%	0.895	81%	0.813	S	S	*	*			trans	-44.9	154.7	-180	-75	-109.4	0	0	0	116.2
221	G	37.5	Very low	38.7	Very low	79 Å²	79	140.5 Å²	140.5	81%	0.814	81%	0.814	S	S	*	*			trans	169.9	92.3	155.1	0	0	0	0	0	116.2
222	S	36.7	Very low	38.5	Very low	120 Å²	120	136.9 Å²	136.9	84%	0.839	81%	0.809	S	S	*	*			trans	-106.1	110.4	171.1	56.9	0	0	0	0	112.3
223	S	38.5	Very low	38.5	Very low	111 Å²	111	137 Å²	137	78%	0.776	81%	0.811	S	S	*	*			trans	-171.1	144.8	161.4	28.6	0	0	0	0	107.5
224	S	36.8	Very low	38.5	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	81%	0.809	S	S	*	*			cis	66.8	70.5	26.3	-64.3	0	0	0	0	115.5
225	F	36.2	Very low	38.3	Very low	213 Å²	213	140 Å²	140	93%	0.934	82%	0.817	S	S	*	*			trans	-172.2	158	134.1	-119	-88.9	0	0	0	109.1
226	G	38.1	Very low	38.4	Very low	75 Å²	75	134.6 Å²	134.6	77%	0.773	81%	0.811	S	S	*	*			trans	155	40	173.8	0	0	0	0	0	119.3
227	S	42.2	Very low	38.8	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	81%	0.807	S	S	*	*			trans	-82.8	124.5	169.9	44.1	0	0	0	0	112.5
228	T	34.9	Very low	39.1	Very low	128 Å²	128	130.8 Å²	130.8	79%	0.785	80%	0.802	S	S	*	*			trans	33.2	110.1	145.9	56.6	0	0	0	0	119.7
229	Q	34.5	Very low	38.9	Very low	190 Å²	190	129.7 Å²	129.7	89%	0.888	79%	0.793	S	S	*	*				-165.6	161	111	-108.6	-165.8	-131.2	0	0	112.2
230	P	41.1	Very low	38.4	Very low	106 Å²	106	127.6 Å²	127.6	69%	0.688	79%	0.787	S	S	*	*			trans	-105.3	167.1	-171.9	40.3	-35.3	0	0	0	114.1
231	S	33.7	Very low	38.4	Very low	106 Å²	106	122.7 Å²	122.7	74%	0.741	77%	0.774	S	S	*	*			trans	171.3	155.9	130.4	41.9	0	0	0	0	113.6
232	T	37.8	Very low	38.5	Very low	135 Å²	135	127.3 Å²	127.3	83%	0.828	77%	0.774	S	S	*	*			trans	43.5	112.2	154.6	51.3	0	0	0	0	120.3
233	G	41	Very low	38.5	Very low	78 Å²	78	125.3 Å²	125.3	80%	0.804	76%	0.76	S	S	*	*			trans	-96	168.7	164.2	0	0	0	0	0	113.6
234	L	41.6	Very low	38.4	Very low	154 Å²	154	125.7 Å²	125.7	81%	0.806	76%	0.758	S	S	*	*			trans	-153.2	99.5	-176	-165.2	76.3	0	0	0	114.2
235	F	37	Very low	38.6	Very low	205 Å²	205	125.8 Å²	125.8	90%	0.899	76%	0.759	S	S	*	*			trans	63.7	154.3	159	-70.9	-112.3	0	0	0	118.6
236	G	40.5	Very low	39.1	Very low	70 Å²	70	122.4 Å²	122.4	72%	0.722	75%	0.749	S	S	*	*			cis	-161.1	167.1	1.4	0	0	0	0	0	114.5
237	Q	40.1	Very low	38.8	Very low	150 Å²	150	128 Å²	128	70%	0.701	75%	0.753	S	S	*	*			trans	-101.9	158.9	-177.6	-153.7	-155.9	-21.8	0	0	110.7
238	P	43.7	Very low	38.5	Very low	114 Å²	114	127.1 Å²	127.1	74%	0.74	76%	0.759	S	S	*	*				-140.8	169.1	96.3	38.7	-26.3	0	0	0	111.4
239	T	38.2	Very low	38.7	Very low	109 Å²	109	129.5 Å²	129.5	67%	0.669	76%	0.761	S	S	*	*			cis	-156.1	147.3	-15.2	19.2	0	0	0	0	103.7
240	T	38.9	Very low	38.5	Very low	121 Å²	121	127 Å²	127	74%	0.742	75%	0.754	S	S	*	*				-158.3	-150.8	63.7	44.3	0	0	0	0	109.7
241	T	37.8	Very low	38.3	Very low	100 Å²	100	126.6 Å²	126.6	61%	0.613	75%	0.749	S	S	*	*				-154.3	116.6	-81.1	-70.1	0	0	0	0	110
242	Q	39	Very low	38.3	Very low	177 Å²	177	127.3 Å²	127.3	83%	0.827	75%	0.749	S	S	*	*			trans	60.9	169.7	164.8	-72	-173.7	-100.5	0	0	119.6
243	S	36.2	Very low	38.2	Very low	77 Å²	77	126.5 Å²	126.5	54%	0.538	75%	0.745	S	S	.	*				-172.9	152.1	-54.3	57.2	0	0	0	0	110
244	T	37.2	Very low	38.2	Very low	119 Å²	119	127.6 Å²	127.6	73%	0.73	74%	0.74	S	S	*	*			trans	54	123.6	152.2	51.1	0	0	0	0	120.4
245	S	41.3	Very low	37.9	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	74%	0.736	S	S	*	*			trans	-45.6	129.4	170.2	179.9	0	0	0	0	115.2
246	L	45.5	Very low	37.9	Very low	141 Å²	141	121.2 Å²	121.2	74%	0.738	73%	0.729	S	S	*	*			trans	-149.7	118.4	156.9	-86	112	0	0	0	112.8
247	F	32.3	Very low	37.7	Very low	194 Å²	194	121.9 Å²	121.9	85%	0.851	73%	0.728	S	S	*	*			trans	23.6	134.1	142.7	-56.5	-87.6	0	0	0	123.4
248	G	35.8	Very low	37.4	Very low	78 Å²	78	123.8 Å²	123.8	80%	0.804	73%	0.734	S	S	*	*			trans	107	158	144.8	0	0	0	0	0	116.9
249	Q	38.5	Very low	36.9	Very low	179 Å²	179	123.3 Å²	123.3	84%	0.836	73%	0.733	S	S	*	*			cis	-167.4	128.6	-11.9	164.7	171.2	2	0	0	110.9
250	N	31.2	Very low	36.9	Very low	136 Å²	136	127.1 Å²	127.1	73%	0.727	74%	0.741	S	S	*	*			trans	64.4	157.8	161.5	-134	24	0	0	0	115.8
251	T	36.3	Very low	36.8	Very low	98 Å²	98	127.3 Å²	127.3	60%	0.601	74%	0.742	S	S	*	*			cis	-153.1	150.6	16.2	-39.6	0	0	0	0	110.4
252	T	35.3	Very low	36.5	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	75%	0.751	S	S	*	*			trans	58.3	125.3	160.9	36.3	0	0	0	0	118.5
253	T	34.9	Very low	36.7	Very low	119 Å²	119	125.5 Å²	125.5	73%	0.73	74%	0.739	S	S	*	*			cis	-155.9	124.6	2.8	-32.7	0	0	0	0	110.4
254	S	40.1	Very low	36.6	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	75%	0.748	S	S	*	*			trans	46.3	141.5	139.9	-53.4	0	0	0	0	122.3
255	T	36.3	Very low	36.5	Very low	118 Å²	118	127.2 Å²	127.2	72%	0.724	75%	0.747	S	S	*	*			cis	-167.5	125.3	-2.7	14	0	0	0	0	107.6
256	S	36.2	Very low	36.2	Very low	108 Å²	108	128.1 Å²	128.1	76%	0.755	75%	0.747	S	S	*	*				59.9	145.7	96.9	76.4	0	0	0	0	116.5
257	A	36	Very low	35.8	Very low	84 Å²	84	125.2 Å²	125.2	69%	0.694	75%	0.751	S	S	*	*			cis	-166	143.6	-4.9	0	0	0	0	0	107.5
258	F	35	Very low	36.1	Very low	190 Å²	190	119.8 Å²	119.8	83%	0.833	75%	0.75	S	S	*	*				66.9	96.4	71.9	-66.4	-63.3	0	0	0	118
259	S	33.3	Very low	36.3	Very low	103 Å²	103	119.8 Å²	119.8	72%	0.72	75%	0.75	S	S	*	*				73.3	126.3	121.9	-53.9	0	0	0	0	123.5
260	F	37	Very low	36.4	Very low	189 Å²	189	118.1 Å²	118.1	83%	0.829	75%	0.746	S	S	*	*			trans	-141.9	108.9	150.8	10.4	-88.1	0	0	0	108.8
261	T	36.9	Very low	36.4	Very low	125 Å²	125	120.9 Å²	120.9	77%	0.767	75%	0.752	S	S	*	*				61.5	110.4	99	58.9	0	0	0	0	114.9
262	N	32.2	Very low	36.4	Very low	150 Å²	150	119.8 Å²	119.8	80%	0.802	76%	0.76	S	S	*	*				69.9	138.9	66.6	-161.8	50.6	0	0	0	111.1
263	P	43.6	Very low	36.7	Very low	89 Å²	89	122.9 Å²	122.9	58%	0.578	77%	0.767	S	S	*	*			cis	-149.3	-173.6	27.4	45.7	-25.3	0	0	0	119.2
264	T	33.9	Very low	36.9	Very low	118 Å²	118	121.5 Å²	121.5	72%	0.724	76%	0.761	S	S	*	*			trans	65.8	152.6	153.1	53.9	0	0	0	0	119.5
265	T	35.3	Very low	37	Very low	115 Å²	115	124.8 Å²	124.8	71%	0.706	77%	0.766	S	S	*	*			cis	-162.3	148.2	-7.5	19	0	0	0	0	112.1
266	T	34.6	Very low	37.2	Very low	136 Å²	136	123.8 Å²	123.8	83%	0.834	76%	0.761	S	S	*	*			trans	46.8	120.4	135.7	-47.5	0	0	0	0	122.7
267	G	37.7	Very low	37.3	Very low	79 Å²	79	126.1 Å²	126.1	81%	0.814	76%	0.76	S	S	*	*			trans	91.1	160.3	150.7	0	0	0	0	0	116.6
268	G	37.1	Very low	37.5	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	77%	0.765	S	S	*	*			cis	148.6	120	-7.4	0	0	0	0	0	113.1
269	G	40	Very low	37.6	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	76%	0.76	S	S	*	*			trans	87.4	133	-174.5	0	0	0	0	0	112.2
270	L	40.8	Very low	37.8	Very low	144 Å²	144	128 Å²	128	75%	0.754	76%	0.763	S	S	*	*			cis	89.5	107	18.9	-156.1	76.4	0	0	0	115.5
271	F	32.5	Very low	37.9	Very low	194 Å²	194	124.7 Å²	124.7	85%	0.851	76%	0.76	S	S	*	*			trans	70.4	135.2	175.7	-50.9	-58.5	0	0	0	118.4
272	G	35	Very low	38.1	Very low	75 Å²	75	122.3 Å²	122.3	77%	0.773	76%	0.76	S	S	*	*			trans	155.1	63.3	160.7	0	0	0	0	0	121.8
273	Q	41.4	Very low	38.7	Very low	186 Å²	186	126.2 Å²	126.2	87%	0.869	77%	0.765	S	S	*	*			trans	68.5	133.5	138.7	-128.3	-175.8	-82	0	0	124.7
274	S	40	Very low	38.3	Very low	89 Å²	89	129.7 Å²	129.7	62%	0.622	78%	0.777	S	S	*	*			trans	58.8	105	142.8	50	0	0	0	0	123.8
275	Q	41.7	Very low	38.6	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.794	78%	0.783	S	S	*	*				15.9	156.7	104.3	-83.9	-124.2	18.3	0	0	120
276	P	41.3	Very low	38.7	Very low	96 Å²	96	131.1 Å²	131.1	62%	0.623	78%	0.783	S	S	*	*			cis	-153.5	173.5	37.8	45.4	-25.1	0	0	0	121.5
277	Q	38.6	Very low	39.5	Very low	158 Å²	158	133.2 Å²	133.2	74%	0.738	78%	0.781	S	S	*	*			trans	81.3	150	133.4	-100.9	173.8	-51	0	0	127.6
278	Q	38.7	Very low	39.6	Very low	170 Å²	170	139.4 Å²	139.4	79%	0.794	79%	0.786	S	S	*	*			trans	76.3	142.8	157.7	-68.7	-167.8	-6.5	0	0	120.6
279	T	36.9	Very low	40.3	Very low	118 Å²	118	146.2 Å²	146.2	72%	0.724	79%	0.788	S	S	*	*			cis	-158.7	158.4	-16.8	-75.6	0	0	0	0	111.5
280	V	38.1	Very low	40.6	Very low	129 Å²	129	147.4 Å²	147.4	78%	0.782	78%	0.784	S	S	*	*			trans	-75.6	-172.9	179.5	-105.3	0	0	0	0	115.7
281	P	39.4	Very low	41.2	Very low	119 Å²	119	146.8 Å²	146.8	77%	0.773	79%	0.789	S	S	*	*			cis	-140.4	153.7	-9.4	27.6	-4.3	0	0	0	119.3
282	G	41.4	Very low	41.8	Very low	74 Å²	74	146.3 Å²	146.3	76%	0.763	79%	0.787	S	S	*	*				63.7	135.3	114.4	0	0	0	0	0	126.1
283	Y	45	Very low	42	Very low	233 Å²	233	146.1 Å²	146.1	91%	0.914	79%	0.785	S	S	*	*				-158.9	171.2	129.9	54.6	-103.2	0	0	0	111.9
284	I	33.9	Very low	42.3	Very low	162 Å²	162	142.9 Å²	142.9	83%	0.831	78%	0.777	S	S	*	*			trans	-141	155.9	-162.1	49.8	168	0	0	0	113.8
285	L	40.9	Very low	42.3	Very low	161 Å²	161	143.7 Å²	143.7	84%	0.843	79%	0.789	S	S	*	*			trans	-167.5	149.9	151.3	-110.9	168.5	0	0	0	110.9	F287	L285-F287 HydrophobicContact CD2-CE2 4.48Å
286	S	38.3	Very low	42.5	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	79%	0.787	S	S	*	*			trans	-157.4	150.3	-174.4	57.4	0	0	0	0	112.3
287	F	50.2	Low	42.6	Very low	180 Å²	180	140.3 Å²	140.3	79%	0.789	79%	0.792	S	S	*	*			trans	-138.4	121.4	169.2	-75.4	-79.6	0	0	0	111.7	L285	L285-F287 HydrophobicContact CD2-CE2 4.48Å
288	F	40	Very low	42.9	Very low	209 Å²	209	139.5 Å²	139.5	92%	0.917	80%	0.798	S	S	*	*			trans	-139.3	141.7	161.1	-97.6	-84.5	0	0	0	107
289	Y	52.8	Low	43.2	Very low	224 Å²	224	136.2 Å²	136.2	88%	0.878	80%	0.8	S	S	*	*			trans	-97.4	141.2	171.9	-92.1	-96.2	0	0	0	110.4
290	S	46	Very low	43.6	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	80%	0.803	S	S	*	*			trans	-118	148.7	176.2	-53.2	0	0	0	0	110.6
291	P	53	Low	43.6	Very low	131 Å²	131	136.6 Å²	136.6	85%	0.851	81%	0.805	S	S	*	*			trans	-69.9	155	169	30.9	-34.2	0	0	0	111.3
292	F	44.4	Very low	43.8	Very low	184 Å²	184	136 Å²	136	81%	0.807	80%	0.804	S	S	*	*			trans	-83.1	138.3	-171.9	174.2	-98.2	0	0	0	112.8	V294	F292-V294 HydrophobicContact CE1-CG1 4.12Å; F292-V294 HydrophobicContact CE1-CG2 3.81Å; F292-V294 HydrophobicContact CE2-CG1 3.64Å; F292-V294 HydrophobicContact CZ-CB 4.25Å; F292-V294 HydrophobicContact CZ-CG1 3.42Å; F292-V294 VanDerWaalsContact CZ-CG1 3.42Å; F292-V294 HydrophobicContact CZ-CG2 3.8Å
293	G	40.7	Very low	43.8	Very low	71 Å²	71	138.2 Å²	138.2	73%	0.732	81%	0.808	S	S	*	*			trans	-150.2	132.2	168.1	0	0	0	0	0	110.2
294	V	46.9	Very low	43.6	Very low	117 Å²	117	131.1 Å²	131.1	71%	0.709	81%	0.805	S	S	*	*			trans	-125.6	142.4	177.4	-74.1	0	0	0	0	110.1	F292	F292-V294 HydrophobicContact CE1-CG1 4.12Å; F292-V294 HydrophobicContact CE1-CG2 3.81Å; F292-V294 HydrophobicContact CE2-CG1 3.64Å; F292-V294 HydrophobicContact CZ-CB 4.25Å; F292-V294 HydrophobicContact CZ-CG1 3.42Å; F292-V294 VanDerWaalsContact CZ-CG1 3.42Å; F292-V294 HydrophobicContact CZ-CG2 3.8Å
295	A	39.7	Very low	44.1	Very low	106 Å²	106	129.5 Å²	129.5	88%	0.876	81%	0.808	S	S	*	*			trans	-134.9	139.6	-174.1	0	0	0	0	0	111.8
296	A	46.1	Very low	44.3	Very low	91 Å²	91	128.8 Å²	128.8	75%	0.752	80%	0.804	S	S	*	*			trans	-145.6	106.6	160.2	0	0	0	0	0	106
297	S	43.2	Very low	44.5	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	81%	0.813	S	S	*	*				68	95.5	68.5	78.4	0	0	0	0	113.9
298	T	44.4	Very low	43.9	Very low	141 Å²	141	129.2 Å²	129.2	87%	0.865	82%	0.819	S	S	*	*				-175.8	119.4	120.3	34.6	0	0	0	0	113.2
299	A	46.4	Very low	43.7	Very low	100 Å²	100	123 Å²	123	83%	0.826	81%	0.814	S	S	*	*			trans	58.8	154	140.1	0	0	0	0	0	123.2
300	P	43.9	Very low	42.9	Very low	122 Å²	122	118.1 Å²	118.1	79%	0.792	81%	0.812	S	S	*	*			trans	-131.7	168.1	-164.7	42.8	-26.4	0	0	0	116.8
301	T	39.4	Very low	42.4	Very low	133 Å²	133	120.4 Å²	120.4	82%	0.816	82%	0.822	S	S	*	*			trans	-159.6	158.3	152.5	28.1	0	0	0	0	112
302	S	42.6	Very low	41.8	Very low	108 Å²	108	117.7 Å²	117.7	76%	0.755	82%	0.818	S	S	*	*			trans	58.7	116.2	174.7	55.5	0	0	0	0	116.8
303	S	41.9	Very low	41.5	Very low	120 Å²	120	113 Å²	113	84%	0.839	82%	0.822	S	S	*	*			cis	101.6	104.1	34.2	70.3	0	0	0	0	112.5
304	G	41.4	Very low	41.6	Very low	84 Å²	84	113 Å²	113	87%	0.866	82%	0.822	S	S	*	*			trans	157.4	47.7	177.5	0	0	0	0	0	115.6
305	S	43.3	Very low	41.7	Very low	127 Å²	127	114.5 Å²	114.5	89%	0.888	83%	0.825	S	S	*	*			trans	-100.8	132.1	171.4	-171.2	0	0	0	0	110.3
306	L	46.4	Very low	41.9	Very low	146 Å²	146	118.3 Å²	118.3	76%	0.764	82%	0.822	S	S	*	*			trans	-135.3	98.8	-177.4	179.7	77.3	0	0	0	109.1
307	F	41.7	Very low	41.6	Very low	203 Å²	203	117.5 Å²	117.5	89%	0.89	82%	0.823	S	S	*	*			trans	171	120.7	143.5	-91.5	-59.1	0	0	0	108.8
308	G	37.5	Very low	41.5	Very low	88 Å²	88	120.1 Å²	120.1	91%	0.907	83%	0.828	S	S	*	*			trans	139.5	71.7	-178.5	0	0	0	0	0	113.5
309	G	37.1	Very low	41.5	Very low	79 Å²	79	121.9 Å²	121.9	81%	0.814	82%	0.824	S	S	*	*			trans	-146	131.8	176.2	0	0	0	0	0	110.7
310	S	35.9	Very low	41.2	Very low	121 Å²	121	122.6 Å²	122.6	85%	0.846	82%	0.82	S	S	*	*			trans	-111.7	112.2	-161.6	57	0	0	0	0	114.7
311	T	35.7	Very low	40.9	Very low	151 Å²	151	121.6 Å²	121.6	93%	0.926	82%	0.822	S	S	*	*			trans	-165.7	145.4	160.6	31.3	0	0	0	0	107.6
312	G	39.7	Very low	41.1	Very low	75 Å²	75	118.3 Å²	118.3	77%	0.773	82%	0.815	S	S	*	*			cis	172.4	137.1	-6	0	0	0	0	0	110.4
313	G	38.3	Very low	40.9	Very low	86 Å²	86	119.4 Å²	119.4	89%	0.887	82%	0.817	S	S	*	*			trans	81.5	155.4	-177.1	0	0	0	0	0	114.8
314	G	42.4	Very low	40.8	Very low	71 Å²	71	119.1 Å²	119.1	73%	0.732	81%	0.81	S	S	*	*			cis	139.2	82.2	-8.9	0	0	0	0	0	114.7
315	L	47.9	Very low	40.7	Very low	148 Å²	148	121 Å²	121	78%	0.775	81%	0.805	S	S	*	*			trans	176.9	130.9	166.1	-121.1	62.1	0	0	0	104.3
316	F	45.7	Very low	40.6	Very low	186 Å²	186	119.8 Å²	119.8	82%	0.816	80%	0.797	S	S	*	*			cis	-130.5	162.1	9.9	-51.6	-101.8	0	0	0	107.2
317	G	39.8	Very low	40.5	Very low	74 Å²	74	118.1 Å²	118.1	76%	0.763	80%	0.797	S	S	*	*			cis	96.9	121.8	34.7	0	0	0	0	0	109.7
318	N	40.3	Very low	40.4	Very low	160 Å²	160	115.3 Å²	115.3	86%	0.856	79%	0.791	S	S	*	*			cis	-167	169.7	9.9	-174.6	18.7	0	0	0	112.3
319	K	43.5	Very low	40.9	Very low	178 Å²	178	120.3 Å²	120.3	77%	0.774	79%	0.788	S	S	*	*			trans	81.8	154	158.8	-121.8	-167.1	147.9	60.9	0	118.3
320	P	42	Very low	41.4	Very low	115 Å²	115	122.2 Å²	122.2	75%	0.747	79%	0.786	S	S	*	*				-128.9	178.7	-77.2	43.2	-31	0	0	0	114.8
321	A	36.3	Very low	41.6	Very low	100 Å²	100	121.9 Å²	121.9	83%	0.826	78%	0.783	S	S	*	*			trans	-101.6	165.2	-166.7	0	0	0	0	0	117.4
322	G	43.2	Very low	41.7	Very low	64 Å²	64	124.6 Å²	124.6	66%	0.66	78%	0.783	S	S	*	*			trans	-129.5	133.7	137.3	0	0	0	0	0	108
323	T	39.8	Very low	41.9	Very low	131 Å²	131	124.4 Å²	124.4	80%	0.804	78%	0.78	S	S	*	*				71.7	108.7	67.2	-57.2	0	0	0	0	109.9
324	T	39.5	Very low	42.4	Very low	114 Å²	114	126.7 Å²	126.7	70%	0.699	78%	0.78	S	S	*	*			cis	-162.6	163.3	16.2	-1.2	0	0	0	0	113
325	T	38.8	Very low	42.3	Very low	125 Å²	125	128.6 Å²	128.6	77%	0.767	78%	0.782	S	S	*	*			trans	58.4	143.5	152.5	50.6	0	0	0	0	120.7
326	S	42.2	Very low	41.6	Very low	101 Å²	101	127.5 Å²	127.5	71%	0.706	78%	0.782	S	S	*	*			cis	-173.9	166.7	-12.3	46.6	0	0	0	0	111
327	S	43.3	Very low	41.2	Very low	111 Å²	111	124.3 Å²	124.3	78%	0.776	78%	0.777	S	S	*	*			trans	77.1	154.5	172.8	79.9	0	0	0	0	118.3
328	L	39.8	Very low	41	Very low	144 Å²	144	126.6 Å²	126.6	75%	0.754	78%	0.777	S	S	*	*				-172.6	92.8	-61.7	-101	166.7	0	0	0	110.9
329	F	48.5	Very low	40.8	Very low	193 Å²	193	124.9 Å²	124.9	85%	0.846	77%	0.772	S	S	*	*			trans	55.4	-167.4	159.2	-54.6	-68.5	0	0	0	118.1
330	P	46.6	Very low	40.5	Very low	119 Å²	119	126.9 Å²	126.9	77%	0.773	78%	0.781	S	S	*	*				-136.5	-176.8	-101.2	43	-24	0	0	0	115.1
331	S	39.5	Very low	40.3	Very low	113 Å²	113	124.3 Å²	124.3	79%	0.79	78%	0.776	S	S	*	*				159.1	153.8	127.2	-167.3	0	0	0	0	113.8
332	F	38.6	Very low	40.4	Very low	209 Å²	209	123.3 Å²	123.3	92%	0.917	78%	0.775	S	S	*	*			trans	-54.7	159.9	173.3	-72.9	-109.5	0	0	0	115.9
333	G	43.7	Very low	40.1	Very low	70 Å²	70	123.9 Å²	123.9	72%	0.722	78%	0.781	S	S	*	*			trans	143.1	121.7	146.7	0	0	0	0	0	114.5
334	P	50.2	Low	40	Very low	135 Å²	135	124 Å²	124	88%	0.877	78%	0.776	S	S	*	*			trans	-96.7	135.9	-174.5	35.2	-32.6	0	0	0	114.2
335	S	39.1	Very low	39.7	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	79%	0.786	S	S	*	*			trans	-149	129.7	154.3	61	0	0	0	0	111.2
336	T	34.3	Very low	39.3	Very low	126 Å²	126	129.6 Å²	129.6	77%	0.773	78%	0.779	S	S	*	*			trans	-7.7	148	159	56.7	0	0	0	0	120.6
337	T	36	Very low	39	Very low	118 Å²	118	131.5 Å²	131.5	72%	0.724	79%	0.786	S	S	*	*			trans	103.5	96.9	142.8	-56.8	0	0	0	0	119.3
338	T	36.7	Very low	38.7	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	78%	0.782	S	S	*	*			trans	73.2	138.6	140.8	56.1	0	0	0	0	124.2
339	T	35.9	Very low	38.6	Very low	124 Å²	124	131.6 Å²	131.6	76%	0.761	78%	0.783	S	S	*	*			trans	73.3	97.8	144.6	-55	0	0	0	0	119.3
340	F	36.8	Very low	38.1	Very low	219 Å²	219	126 Å²	126	96%	0.961	77%	0.768	S	S	*	*			trans	-96.1	123	134	-105	-98.9	0	0	0	109
341	G	38.7	Very low	37.4	Very low	62 Å²	62	130.2 Å²	130.2	64%	0.639	78%	0.775	S	S	*	*			trans	-105	177.8	155.5	0	0	0	0	0	109.5
342	G	37.9	Very low	37.2	Very low	78 Å²	78	134.4 Å²	134.4	80%	0.804	78%	0.779	S	S	*	*			cis	-173.3	158.9	-0.7	0	0	0	0	0	110.3
343	G	37.2	Very low	37.1	Very low	76 Å²	76	133.3 Å²	133.3	78%	0.784	77%	0.774	S	S	*	*			trans	160.3	43.4	-165.3	0	0	0	0	0	111.4
344	L	35.9	Very low	36.6	Very low	133 Å²	133	138.6 Å²	138.6	70%	0.696	78%	0.777	S	S	*	*				68.2	79.1	77.3	-95.8	165.1	0	0	0	114
345	W	33.3	Very low	35.8	Very low	239 Å²	239	137.1 Å²	137.1	91%	0.905	76%	0.762	S	S	*	*				-156.5	96	128.9	-82.9	105.3	0	0	0	106.4
346	N	31.9	Very low	35.6	Very low	119 Å²	119	137.7 Å²	137.7	64%	0.636	75%	0.752	S	S	*	*				58.9	83.3	92.6	-75.4	-37.6	0	0	0	114.9
347	V	36.2	Very low	35.8	Very low	140 Å²	140	140.2 Å²	140.2	85%	0.848	75%	0.753	S	S	*	*			trans	-116.8	114.9	146.8	177.4	0	0	0	0	107
348	N	35.2	Very low	35.8	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	75%	0.754	S	S	*	*			trans	-100.6	109.1	-172.7	-178	-14.1	0	0	0	110.6	S350	N348-S350 VanDerWaalsContact C-N 3.27Å; N348-S350 PolarHBondContact ND2-OG 2.98Å; N348-S350 PolarHBondContact O-N 3.34Å; N348-S350 PolarHBondContact OD1-N 2.79Å; N348-S350 PolarHBondContact OD1-OG 3.45Å
349	V	39.2	Very low	35.8	Very low	130 Å²	130	141 Å²	141	79%	0.788	76%	0.755	S	S	*	*			trans	-77.8	79.4	172.6	-174.9	0	0	0	0	109.5
350	S	37	Very low	35.7	Very low	75 Å²	75	144.1 Å²	144.1	52%	0.524	76%	0.759	S	S	.	*			trans	-93.7	110.6	175.1	-79.4	0	0	0	0	111.3	N348 F352	N348-S350 VanDerWaalsContact C-N 3.27Å; N348-S350 PolarHBondContact ND2-OG 2.98Å; N348-S350 PolarHBondContact O-N 3.34Å; N348-S350 PolarHBondContact OD1-N 2.79Å; N348-S350 PolarHBondContact OD1-OG 3.45Å; S350-F352 PolarHBondContact O-N 2.86Å
351	F	32.9	Very low	36.2	Very low	207 Å²	207	138.3 Å²	138.3	91%	0.908	74%	0.743	S	S	*	*			trans	-61.5	101.1	162.7	-88.6	-97.7	0	0	0	109.4
352	F	35.5	Very low	36.2	Very low	202 Å²	202	144.8 Å²	144.8	89%	0.886	75%	0.754	S	S	*	*			trans	-99.4	136.9	168.5	-127.6	-90.3	0	0	0	112.5	S350	S350-F352 PolarHBondContact O-N 2.86Å
353	K	36.2	Very low	36.1	Very low	185 Å²	185	152.4 Å²	152.4	80%	0.804	76%	0.758	S	S	*	*			trans	-112.8	147.1	-170.1	-177.6	178.2	179.1	173.3	0	108.6
354	K	32	Very low	36.1	Very low	181 Å²	181	153.8 Å²	153.8	79%	0.787	76%	0.763	S	S	*	*			trans	90	127.5	155.7	-144.1	-170.1	179.3	-170.8	0	118
355	N	32.9	Very low	36.1	Very low	104 Å²	104	152.5 Å²	152.5	56%	0.556	77%	0.771	S	S	*	*			trans	78.7	112.4	142.4	-91.2	33.8	0	0	0	123.4
356	E	35.9	Very low	36.2	Very low	122 Å²	122	145.9 Å²	145.9	57%	0.57	77%	0.768	S	S	*	*				67.5	127.9	118.8	-70.3	177.5	-150.5	0	0	121.5
357	K	38.7	Very low	36.4	Very low	180 Å²	180	147.1 Å²	147.1	78%	0.783	78%	0.779	S	S	*	*			trans	73.5	139.7	155	-61	149.2	-175.9	160.3	0	114.2
358	S	36.4	Very low	36.2	Very low	108 Å²	108	144.9 Å²	144.9	76%	0.755	78%	0.775	S	S	*	*			cis	-162.5	142.3	3.4	42.9	0	0	0	0	113.9
359	L	35.7	Very low	36.4	Very low	149 Å²	149	144.9 Å²	144.9	78%	0.78	78%	0.779	S	S	*	*			trans	67.6	99.5	132.6	-160.1	77.3	0	0	0	120.4
360	F	34.9	Very low	36.3	Very low	189 Å²	189	146.5 Å²	146.5	83%	0.829	78%	0.779	S	S	*	*				27.1	168.3	108	-64.9	-62.1	0	0	0	121.7
361	P	47.6	Very low	36.2	Very low	98 Å²	98	153 Å²	153	64%	0.636	80%	0.798	S	S	*	*			cis	-134.1	-179.7	-5.6	29.3	-6.9	0	0	0	115.1
362	F	37.6	Very low	36.5	Very low	198 Å²	198	152.6 Å²	152.6	87%	0.868	80%	0.796	S	S	*	*			trans	166.1	137.3	134.7	-89.2	-53.4	0	0	0	109.1
363	R	36.6	Very low	36.7	Very low	237 Å²	237	147.4 Å²	147.4	89%	0.894	79%	0.785	S	S	*	*			cis	-128.8	158.8	-11.4	-78.2	161.9	66.6	170.4	-0.8	107.8
364	A	35.6	Very low	37.1	Very low	106 Å²	106	148.1 Å²	148.1	88%	0.876	79%	0.788	S	S	*	*			trans	-115.7	151.6	177	0	0	0	0	0	112.5
365	A	36.7	Very low	37.7	Very low	106 Å²	106	145.1 Å²	145.1	88%	0.876	79%	0.787	S	S	*	*			trans	-133.7	136.5	159.6	0	0	0	0	0	107.3
366	A	36.2	Very low	38.5	Very low	100 Å²	100	146.5 Å²	146.5	83%	0.826	80%	0.799	S	S	*	*			trans	-125.6	132.2	-171.2	0	0	0	0	0	111.4
367	V	34.6	Very low	39.1	Very low	145 Å²	145	150 Å²	150	88%	0.879	82%	0.815	S	S	*	*			trans	-118.2	125	162.4	177	0	0	0	0	106.7
368	A	32.2	Very low	39.1	Very low	93 Å²	93	145.8 Å²	145.8	77%	0.769	81%	0.814	S	S	*	*			trans	-106.2	135	-179.6	0	0	0	0	0	110.4
369	V	39.3	Very low	39.5	Very low	127 Å²	127	147.6 Å²	147.6	77%	0.77	82%	0.82	S	S	*	*			trans	-131.6	127.1	166.6	-178.8	0	0	0	0	106.9
370	Q	38	Very low	39.6	Very low	165 Å²	165	146.3 Å²	146.3	77%	0.771	82%	0.818	S	S	*	*			trans	-69.3	134.2	-175.7	-71.5	89.2	-22.2	0	0	112.5
371	F	34.2	Very low	39.8	Very low	212 Å²	212	148 Å²	148	93%	0.93	82%	0.819	S	S	*	*			trans	-73.3	138	151.3	-81.1	-98.4	0	0	0	109.2
372	F	40.9	Very low	39.6	Very low	198 Å²	198	151.3 Å²	151.3	87%	0.868	83%	0.826	S	S	*	*			trans	-122.2	141.4	175.9	-146.8	-90.1	0	0	0	111.7
373	S	38.7	Very low	39.5	Very low	93 Å²	93	150 Å²	150	65%	0.65	83%	0.827	S	S	*	*			trans	-71.7	148.1	-163.7	-44.4	0	0	0	0	115.1
374	K	43.9	Very low	39.8	Very low	200 Å²	200	150 Å²	150	87%	0.87	83%	0.827	S	S	*	*				-149	124	123.2	-69.6	-161.6	-177	177.7	0	111.9
375	P	45.4	Very low	40.1	Very low	117 Å²	117	150.4 Å²	150.4	76%	0.76	82%	0.823	S	S	*	*			trans	-118.5	150.8	141.8	35.9	-28.6	0	0	0	110.3
376	T	50.3	Low	40.7	Very low	133 Å²	133	148.9 Å²	148.9	82%	0.816	82%	0.818	S	S	*	*			trans	-134.3	120.5	173.3	47.9	0	0	0	0	109.7
377	E	48.3	Very low	41.5	Very low	195 Å²	195	149.6 Å²	149.6	91%	0.911	81%	0.814	S	S	*	*			trans	-76	164.2	-176.6	-67.6	-161.7	129.1	0	0	113.9
378	A	37.9	Very low	42	Very low	92 Å²	92	149.4 Å²	149.4	76%	0.76	81%	0.807	S	S	*	*			trans	-82.7	146.9	174.7	0	0	0	0	0	112.3
379	V	46.3	Very low	42.5	Very low	146 Å²	146	150.4 Å²	150.4	89%	0.885	81%	0.808	S	S	*	*			trans	-120.3	115.7	165.3	177.5	0	0	0	0	109.3
380	V	36.7	Very low	42.5	Very low	122 Å²	122	154.6 Å²	154.6	74%	0.739	81%	0.81	S	S	*	*			trans	-121.6	119.9	169.7	176.5	0	0	0	0	108.5
381	R	39.9	Very low	42.6	Very low	226 Å²	226	154.6 Å²	154.6	85%	0.853	81%	0.812	S	S	*	*			trans	178.2	146.1	147.4	-98.8	148.8	-166.1	163.4	6	114.1
382	H	42.1	Very low	43	Very low	167 Å²	167	150.5 Å²	150.5	77%	0.773	81%	0.805	S	S	*	*			trans	77.8	79.8	149.9	-69.8	33.5	0	0	0	120.3
383	L	37	Very low	43.1	Very low	169 Å²	169	145.7 Å²	145.7	89%	0.885	80%	0.795	S	S	*	*				20.9	116.1	114.4	-66.9	158.1	0	0	0	118.5
384	R	41	Very low	43.4	Very low	237 Å²	237	147.6 Å²	147.6	89%	0.894	80%	0.804	S	S	*	*				-171.5	129	116.4	-108.7	179.2	-175.8	-159.1	0.4	115.2
385	S	42.7	Very low	43.6	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	80%	0.801	S	S	*	*			trans	27.7	130.9	142.9	60.6	0	0	0	0	122.3
386	G	49.3	Very low	43.5	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	81%	0.805	S	S	*	*			trans	157.8	135.1	138.5	0	0	0	0	0	115.9
387	P	52.8	Low	43.1	Very low	115 Å²	115	146.9 Å²	146.9	75%	0.747	80%	0.802	S	S	*	*			trans	-137.2	172.4	-150.8	43	-24.4	0	0	0	118.5
388	I	45.3	Very low	43.1	Very low	141 Å²	141	143.4 Å²	143.4	72%	0.723	80%	0.799	S	S	*	*			trans	69.8	113.2	153	-67.2	152.8	0	0	0	119.5
389	S	41.9	Very low	43.3	Very low	114 Å²	114	147 Å²	147	80%	0.797	81%	0.805	S	S	*	*				178.7	122.3	123.7	-75	0	0	0	0	107.7
390	R	41	Very low	43.5	Very low	216 Å²	216	148.4 Å²	148.4	82%	0.815	81%	0.806	S	S	*	*			cis	81.1	98.5	37.8	-169.4	-162.7	-79.3	-165	-2.2	114.5
391	M	40.2	Very low	44.1	Very low	165 Å²	165	147.3 Å²	147.3	81%	0.813	80%	0.801	S	S	*	*			trans	169	121.2	140.8	-92.8	168.6	-175.5	0	0	107.9
392	T	41.2	Very low	44	Very low	126 Å²	126	142.5 Å²	142.5	77%	0.773	80%	0.798	S	S	*	*				55.3	132.9	85.8	62.4	0	0	0	0	114.2
393	S	42.6	Very low	44.1	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	80%	0.803	S	S	*	*			cis	-173.2	144.5	7.9	45.7	0	0	0	0	113.6
394	T	46.6	Very low	44.4	Very low	134 Å²	134	142.3 Å²	142.3	82%	0.822	80%	0.798	S	S	*	*			trans	51.3	154.9	147.3	49.1	0	0	0	0	122.7
395	P	47.8	Very low	45.4	Very low	127 Å²	127	135.7 Å²	135.7	83%	0.825	79%	0.794	S	S	*	*			trans	-103.7	168.2	-160.4	40.6	-36.9	0	0	0	116.4
396	K	43.1	Very low	46.1	Very low	193 Å²	193	135.3 Å²	135.3	84%	0.839	79%	0.789	S	S	*	*			trans	-155.8	137.3	162.3	-165.3	173.6	-177	176.8	0	112
397	P	41.1	Very low	47.1	Very low	115 Å²	115	137.6 Å²	137.6	75%	0.747	79%	0.79	S	S	*	*			trans	-88	171	175.7	35.8	-35.6	0	0	0	112.9
398	S	48	Very low	47.7	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	79%	0.793	S	S	*	*			trans	-151.9	155.6	169.9	-74.3	0	0	0	0	111.9
399	L	42.5	Very low	48.5	Very low	167 Å²	167	137 Å²	137	87%	0.874	80%	0.795	S	S	*	*			trans	-97	164.1	-167.7	-60.7	157.4	0	0	0	112.5
400	L	50.8	Low	48.7	Very low	175 Å²	175	139 Å²	139	92%	0.916	80%	0.796	S	S	*	*			trans	-176.8	160.6	136.7	-92	153.2	0	0	0	109.7
401	P	48.9	Very low	48.9	Very low	99 Å²	99	134.5 Å²	134.5	64%	0.643	79%	0.793	S	S	*	*			trans	-128.4	168.5	-149.4	44.1	-31.9	0	0	0	118.3
402	T	38.9	Very low	49	Very low	126 Å²	126	132.4 Å²	132.4	77%	0.773	79%	0.79	S	S	*	*			trans	45.4	124.5	146.8	53.8	0	0	0	0	121.5
403	N	43.8	Very low	49.1	Very low	166 Å²	166	130.1 Å²	130.1	89%	0.888	78%	0.778	S	S	*	*				-165.7	173.8	92.9	-140.6	-23	0	0	0	112.9
404	E	44.1	Very low	49.3	Very low	166 Å²	166	132.9 Å²	132.9	78%	0.776	79%	0.791	S	S	*	*			trans	-130.5	149.6	-167.2	-177	-170.6	139.3	0	0	113.5
405	A	60.5	Low	49.2	Very low	98 Å²	98	132.6 Å²	132.6	81%	0.81	78%	0.783	S	S	*	*			trans	-165.3	128.2	158	0	0	0	0	0	113.6
406	P	59	Low	49.1	Very low	107 Å²	107	133.3 Å²	133.3	70%	0.695	78%	0.779	S	S	*	*			trans	-115.7	167.7	176.6	40.2	-32.8	0	0	0	116
407	P	69.6	Low	49.2	Very low	121 Å²	121	131.8 Å²	131.8	79%	0.786	78%	0.775	S	S	*	*			trans	-107.7	176	176.1	44.2	-35.6	0	0	0	113.1
408	P	65.9	Low	49.3	Very low	126 Å²	126	134.4 Å²	134.4	82%	0.818	78%	0.778	S	S	*	*				-117.7	179.8	-119.2	12	15	0	0	0	117.4
409	P	60.7	Low	49.2	Very low	117 Å²	117	133.3 Å²	133.3	76%	0.76	77%	0.77	S	S	*	*			trans	-112.6	-153.2	-161.6	44.8	-37.5	0	0	0	116.2
410	L	47.6	Very low	49	Very low	156 Å²	156	131.2 Å²	131.2	82%	0.817	76%	0.764	S	S	*	*			trans	93.9	137.1	-177.9	-53.1	176	0	0	0	113.5
411	T	43.3	Very low	48.6	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	76%	0.763	S	S	*	*			cis	-171.6	157.4	0	18.1	0	0	0	0	108.4
412	T	44.2	Very low	48.2	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	77%	0.769	S	S	*	*			cis	-164.3	167.8	-13.1	-154	0	0	0	0	112.4
413	S	42.5	Very low	48.5	Very low	77 Å²	77	130.9 Å²	130.9	54%	0.538	77%	0.768	S	S	.	*			trans	42.7	117.3	163	71.8	0	0	0	0	123.2
414	V	45.9	Very low	48.6	Very low	154 Å²	154	128.9 Å²	128.9	93%	0.933	75%	0.754	S	S	*	*				-134.3	158.9	105.9	-176.5	0	0	0	0	107
415	I	44.5	Very low	48.4	Very low	128 Å²	128	130.6 Å²	130.6	66%	0.656	75%	0.753	S	S	*	*			trans	-139.5	149.5	-151.5	-72.5	167.9	0	0	0	112.8
416	L	46.1	Very low	47.6	Very low	143 Å²	143	135.3 Å²	135.3	75%	0.749	76%	0.758	S	S	*	*			trans	70.4	146.5	178.1	-56.1	138.7	0	0	0	115.2
417	E	46	Very low	46.8	Very low	161 Å²	161	134.8 Å²	134.8	75%	0.752	76%	0.757	S	S	*	*			cis	-154.4	133.2	-9.4	-106.7	160.6	163.5	0	0	105.7
418	E	42.7	Very low	45.4	Very low	170 Å²	170	137.9 Å²	137.9	79%	0.794	76%	0.761	S	S	*	*				93.7	147.6	64.8	-169	162.1	168.6	0	0	114.4
419	S	45.9	Very low	44.2	Very low	98 Å²	98	141.9 Å²	141.9	69%	0.685	77%	0.766	S	S	*	*			trans	79.3	105.2	-172.9	-46.5	0	0	0	0	114
420	T	39	Very low	42.9	Very low	124 Å²	124	145 Å²	145	76%	0.761	77%	0.768	S	S	*	*				55.6	132.6	52.6	89.1	0	0	0	0	112.3
421	T	42.4	Very low	42.5	Very low	145 Å²	145	146.1 Å²	146.1	89%	0.89	77%	0.768	S	S	*	*			cis	-139	-166.8	43.1	35.2	0	0	0	0	113.4
422	A	40	Very low	42.5	Very low	93 Å²	93	145.6 Å²	145.6	77%	0.769	77%	0.77	S	S	*	*			trans	-131.3	-172.9	-158.6	0	0	0	0	0	114.6
423	M	43.9	Very low	42.2	Very low	155 Å²	155	150.8 Å²	150.8	76%	0.764	78%	0.776	S	S	*	*			trans	88.1	107	163.8	-68.3	-175.1	65.2	0	0	120.2
424	E	45.9	Very low	42.4	Very low	124 Å²	124	155.7 Å²	155.7	58%	0.579	79%	0.79	S	S	*	*				73.7	122.2	125.6	-56.2	-158.4	133.3	0	0	122.3
425	R	40.5	Very low	42.2	Very low	201 Å²	201	151.9 Å²	151.9	76%	0.758	78%	0.781	S	S	*	*			trans	28.6	114.5	138.9	-52.1	-173.5	-159.1	82.3	13	117.9
426	E	43.3	Very low	42.4	Very low	198 Å²	198	152.5 Å²	152.5	93%	0.925	79%	0.785	S	S	*	*				-145.5	169.3	125.1	-130	171.9	-148.9	0	0	112.6
427	S	42.6	Very low	42.2	Very low	95 Å²	95	149.4 Å²	149.4	66%	0.664	77%	0.773	S	S	*	*			trans	-77.4	153.1	-162.2	41.1	0	0	0	0	115.8
428	E	41	Very low	42.3	Very low	187 Å²	187	148.9 Å²	148.9	87%	0.874	78%	0.775	S	S	*	*			trans	45.1	103.3	145.6	-61.7	-171.6	144.9	0	0	118.8
429	K	40.4	Very low	42.7	Very low	210 Å²	210	144.2 Å²	144.2	91%	0.913	76%	0.761	S	S	*	*			trans	-132.2	109.1	147.3	-126.2	170.6	-172	171.5	0	112.8
430	F	33.7	Very low	43	Very low	182 Å²	182	144 Å²	144	80%	0.798	75%	0.752	S	S	*	*			trans	-68.6	167.4	166.4	-171.5	-103.3	0	0	0	110.3
431	Q	39.5	Very low	43.6	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	75%	0.747	S	S	*	*			trans	77.9	133.4	-170.6	-46.5	165	12.8	0	0	113.1
432	S	41.5	Very low	44.4	Very low	112 Å²	112	145 Å²	145	78%	0.783	73%	0.726	S	S	*	*			cis	-137.2	139.1	-0.5	-172.8	0	0	0	0	111.1
433	R	38	Very low	45.2	Very low	231 Å²	231	144.7 Å²	144.7	87%	0.872	71%	0.707	S	S	*	*			trans	-85.2	119.8	-177.6	-72	178.3	173.4	174.5	-3.4	111.1
434	H	48.2	Very low	46.1	Very low	180 Å²	180	143.6 Å²	143.6	83%	0.833	70%	0.704	S	S	*	*			trans	-91.6	120.2	147.8	-80	59.7	0	0	0	107.6	I436	H434-I436 PolarHBondContact O-N 3.33Å
435	G	40	Very low	47.2	Very low	73 Å²	73	143.2 Å²	143.2	75%	0.753	70%	0.702	S	S	*	*			trans	-81	111.3	-172.6	0	0	0	0	0	112.2
436	I	49.4	Very low	49.2	Very low	142 Å²	142	133.8 Å²	133.8	73%	0.728	67%	0.667	S	S	*	*			trans	-65.3	125.9	157.3	-51.1	174.7	0	0	0	106.5	H434 L438	H434-I436 PolarHBondContact O-N 3.33Å; I436-L438 PolarHBondContact O-N 3.27Å
437	P	42.1	Very low	51.4	Low	77 Å²	77	126.4 Å²	126.4	50%	0.5	64%	0.644	S	S	.	*			trans	-65.3	131.1	-178.8	26.1	-33.4	0	0	0	110.6	S439 N440	P437-S439 PolarHBondContact O-N 3.15Å; P437-N440 HydrophobicContact CG-CB 4.49Å; P437-N440 PolarHBondContact O-N 2.81Å; P437-N440 VanDerWaalsContact O-N 3.08Å
438	L	47.4	Very low	53.7	Low	150 Å²	150	122.7 Å²	122.7	79%	0.785	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-27	-176.1	-85.7	154.3	0	0	0	113.5	I436 N440 R441	I436-L438 PolarHBondContact O-N 3.27Å; L438-N440 PolarHBondContact O-N 3.13Å; L438-R441 PolarHBondContact O-N 3.5Å
439	S	52	Low	56.2	Low	73 Å²	73	115.4 Å²	115.4	51%	0.51	59%	0.585	S	S	.	*	H	α-helix	trans	-53.6	-38.8	172.9	49.4	0	0	0	0	112.4	P437 R441 R442	P437-S439 PolarHBondContact O-N 3.15Å; S439-R441 PolarHBondContact O-N 3.24Å; S439-R441 VanDerWaalsContact O-N 3.16Å; S439-R442 PolarHBondContact O-N 3.25Å
440	N	51.2	Low	58.7	Low	94 Å²	94	106.6 Å²	106.6	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-69.9	-14.6	-174.2	-126.5	100.7	0	0	0	114.3	P437 L438	P437-N440 HydrophobicContact CG-CB 4.49Å; P437-N440 PolarHBondContact O-N 2.81Å; P437-N440 VanDerWaalsContact O-N 3.08Å; L438-N440 PolarHBondContact O-N 3.13Å
441	R	53	Low	61.4	Low	170 Å²	170	106 Å²	106	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-84.1	-28.9	170.6	-75	-167.4	177.3	-156.1	-0.7	113.2	L438 S439 K443 D444 H445	L438-R441 PolarHBondContact O-N 3.5Å; S439-R441 PolarHBondContact O-N 3.24Å; S439-R441 VanDerWaalsContact O-N 3.16Å; R441-K443 VanDerWaalsContact C-N 3.34Å; R441-D444 PolarHBondContact O-N 2.93Å; R441-H445 PolarHBondContact O-CD2 3.2Å; R441-H445 VanDerWaalsContact O-CD2 3.31Å; R441-H445 PolarHBondContact O-NE2 3.42Å
442	R	58	Low	64.1	Low	120 Å²	120	101.5 Å²	101.5	45%	0.453	52%	0.521	S	S	.	.	H	α-helix	trans	-68.6	-34.3	-178.1	-75	-173.1	166.2	-165.3	-9.1	112.3	S439 D444 H445 I468	S439-R442 PolarHBondContact O-N 3.25Å; R442-D444 PolarHBondContact O-N 2.96Å; R442-H445 PolarHBondContact O-N 3.25Å; R442-I468 HydrophobicContact CB-CD1 4.44Å
443	K	58.3	Low	66.6	Low	85 Å²	85	100.6 Å²	100.6	37%	0.37	52%	0.521	S	S	.	.	H	α-helix	trans	-50.7	-43.6	174.1	-55.6	-141.7	165.1	-81.9	0	112.6	R441 H445 E465	R441-K443 VanDerWaalsContact C-N 3.34Å; K443-H445 PolarHBondContact O-N 3.34Å; K443-E465 WeakPolarHBondContact CD-OE1 3.33Å; K443-E465 WeakPolarHBondContact CE-OE2 3.14Å; K443-E465 VanDerWaalsContact CG-OE1 3.3Å; K443-E465 WeakPolarHBondContact CG-OE1 3.36Å; K443-E465 WeakPolarHBondContact CG-OE2 3.45Å; K443-E465 IonicContact NZ-OE1 2.78Å; K443-E465 PolarHBondContact NZ-OE1 3.12Å; K443-E465 IonicContact NZ-OE2 2.61Å; K443-E465 PolarHBondContact NZ-OE2 3.21Å
444	D	62.6	Low	69.3	Low	133 Å²	133	91.1 Å²	91.1	71%	0.711	50%	0.495	S	S	*	.	H	α-helix	trans	-73.1	-12.8	-178	-61	-27.7	0	0	0	113.6	R441 R442	R441-D444 PolarHBondContact O-N 2.93Å; R442-D444 PolarHBondContact O-N 2.96Å
445	H	67.8	Low	71.6	Confident	116 Å²	116	83.7 Å²	83.7	54%	0.537	46%	0.46	S	S	.	.	H	α-helix	trans	-96.5	-26	-175.2	-62.5	-25.7	0	0	0	113.8	R441 R442 K443 I468	R441-H445 PolarHBondContact O-CD2 3.2Å; R441-H445 VanDerWaalsContact O-CD2 3.31Å; R441-H445 PolarHBondContact O-NE2 3.42Å; R442-H445 PolarHBondContact O-N 3.25Å; K443-H445 PolarHBondContact O-N 3.34Å; H445-I468 HydrophobicContact CB-CD1 4.4Å
446	L	83.5	Confident	74.3	Confident	3 Å²	3	84.8 Å²	84.8	2%	0.016	44%	0.442	C	S	.	.	H	α-helix	trans	-69.4	-34.4	-178.8	-175.6	60.4	0	0	0	112.7	I448 L461 L464 E465 I468 C474 T498 G499	L446-I448 HydrophobicContact CD2-CB 4.42Å; L446-I448 HydrophobicContact CD2-CG2 3.52Å; L446-I448 HydrophobicContact CG-CB 4.09Å; L446-I448 HydrophobicContact CG-CG2 3.69Å; L446-I448 PolarHBondContact O-N 2.81Å; L446-L461 HydrophobicContact CD2-CD1 3.86Å; L446-L464 HydrophobicContact CD1-CB 4.33Å; L446-L464 HydrophobicContact CD2-CB 3.53Å; L446-L464 HydrophobicContact CD2-CD1 4.45Å; L446-E465 HydrophobicContact CD2-CG 3.97Å; L446-I468 HydrophobicContact CB-CD1 3.96Å; L446-I468 HydrophobicContact CD1-CD1 4.48Å; L446-I468 HydrophobicContact CD1-CG1 4.21Å; L446-C474 HydrophobicContact CD1-CB 3.51Å; L446-T498 WeakPolarHBondContact O-CA 3.27Å; L446-G499 PolarHBondContact O-N 2.69Å
447	G	88.3	Confident	76.6	Confident	43 Å²	43	78.7 Å²	78.7	44%	0.443	41%	0.412	S	S	.	.			trans	65.5	-5.4	175.8	0	0	0	0	0	116.7
448	I	91.7	Very high	79.1	Confident	16 Å²	16	79.3 Å²	79.3	8%	0.082	41%	0.411	C	S	.	.			trans	-68.3	146	-179	-155.2	177.1	0	0	0	111.2	L446 L461 L464 F479 V497 L500 L502	L446-I448 HydrophobicContact CD2-CB 4.42Å; L446-I448 HydrophobicContact CD2-CG2 3.52Å; L446-I448 HydrophobicContact CG-CB 4.09Å; L446-I448 HydrophobicContact CG-CG2 3.69Å; L446-I448 PolarHBondContact O-N 2.81Å; I448-L461 HydrophobicContact CG2-CD1 3.27Å; I448-L464 HydrophobicContact CD1-CD1 3.79Å; I448-F479 HydrophobicContact CD1-CZ 4.09Å; I448-V497 HydrophobicContact CD1-CB 4.1Å; I448-V497 HydrophobicContact CD1-CG2 4.39Å; I448-L500 WeakPolarHBondContact CA-O 3.42Å; I448-L500 HydrophobicContact CG1-CB 4.25Å; I448-L500 WeakPolarHBondContact CG1-O 3.47Å; I448-L502 HydrophobicContact CD1-CD1 3.93Å; I448-L502 HydrophobicContact CD1-CG 4.27Å; I448-L502 HydrophobicContact CG1-CD1 4.23Å; I448-L502 HydrophobicContact CG1-CG 4.12Å
449	V	92.9	Very high	81.4	Confident	35 Å²	35	73.3 Å²	73.3	21%	0.212	38%	0.381	C	S	.	.			trans	-128.4	106.3	-178.3	-171.3	0	0	0	0	111.3	K451 L500 N501 L502 D503	V449-K451 HydrophobicContact CG1-CD 4.14Å; V449-K451 HydrophobicContact CG1-CG 4.24Å; V449-L500 PolarHBondContact N-O 2.7Å; V449-N501 HydrophobicContact CB-CB 4.47Å; V449-L502 WeakPolarHBondContact O-CA 3.33Å; V449-L502 WeakPolarHBondContact O-CB 3.45Å; V449-L502 PolarHBondContact O-N 3.24Å; V449-D503 HydrophobicContact CG1-CB 4.43Å; V449-D503 PolarHBondContact O-N 3.4Å
450	C	93.1	Very high	83.5	Confident	24 Å²	24	72 Å²	72	16%	0.162	37%	0.372	C	S	.	.			trans	-133.9	93.4	173.5	-170.7	0	0	0	0	108.7	L502	C450-L502 HydrophobicContact CB-CB 4.49Å; C450-L502 HydrophobicContact CB-CD1 4.07Å
451	K	92	Very high	85.4	Confident	169 Å²	169	70.6 Å²	70.6	74%	0.735	36%	0.364	S	S	*	.			trans	-134.3	-4.9	-172.9	-55.8	179.2	-179.7	175.3	0	113.1	V449 D503	V449-K451 HydrophobicContact CG1-CD 4.14Å; V449-K451 HydrophobicContact CG1-CG 4.24Å; K451-D503 WeakPolarHBondContact CA-OD2 3.29Å; K451-D503 VanDerWaalsContact CB-OD2 3.31Å; K451-D503 WeakPolarHBondContact CB-OD2 3.41Å; K451-D503 PolarHBondContact N-OD1 3.34Å; K451-D503 PolarHBondContact N-OD2 3.45Å
452	R	94.1	Very high	87.2	Confident	85 Å²	85	69 Å²	69	32%	0.321	36%	0.364	S	S	.	.	S	Bend	trans	-65.6	137.2	174.2	-76.6	169.2	74.4	161.3	-0.5	111.5	G454 Y455 D503 H507	R452-G454 PolarHBondContact O-N 3.43Å; R452-Y455 HydrophobicContact CB-CD2 3.5Å; R452-Y455 VanDerWaalsContact CB-CD2 3.5Å; R452-Y455 HydrophobicContact CB-CE2 4Å; R452-Y455 HydrophobicContact CB-CG 3.93Å; R452-Y455 WeakPolarHBondContact O-CB 3.08Å; R452-Y455 PolarHBondContact O-N 2.89Å; R452-Y455 VanDerWaalsContact O-N 3.08Å; R452-D503 WeakPolarHBondContact CB-OD1 3.36Å; R452-D503 WeakPolarHBondContact CD-O 3.37Å; R452-D503 HydrophobicContact CG-CB 4.08Å; R452-D503 WeakPolarHBondContact CG-OD1 3.38Å; R452-D503 PolarHBondContact N-OD1 3.46Å; R452-D503 PolarHBondContact NH1-O 3.45Å; R452-H507 PolarHBondContact NH1-CD2 2.83Å; R452-H507 PolarHBondContact NH1-NE2 2.99Å
453	A	94.3	Very high	88.9	Confident	94 Å²	94	67.9 Å²	67.9	78%	0.777	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	128.8	-178.3	0	0	0	0	0	112.1	Y455	A453-Y455 VanDerWaalsContact C-N 3.26Å; A453-Y455 PolarHBondContact O-N 3.2Å
454	G	94.8	Very high	90.6	Very high	32 Å²	32	63.8 Å²	63.8	33%	0.33	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	3.7	-177.7	0	0	0	0	0	115	R452 R483 E484	R452-G454 PolarHBondContact O-N 3.43Å; G454-R483 CarbonylContact O-C 3.57Å; G454-R483 VanDerWaalsContact O-CA 3.25Å; G454-R483 WeakPolarHBondContact O-CA 3.21Å; G454-E484 PolarHBondContact O-N 3.04Å
455	Y	97.4	Very high	91.8	Very high	24 Å²	24	58.5 Å²	58.5	9%	0.094	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	145.2	169.2	-77	-114.1	0	0	0	110.4	R452 A453 G482 R483 V506 F508	R452-Y455 HydrophobicContact CB-CD2 3.5Å; R452-Y455 VanDerWaalsContact CB-CD2 3.5Å; R452-Y455 HydrophobicContact CB-CE2 4Å; R452-Y455 HydrophobicContact CB-CG 3.93Å; R452-Y455 WeakPolarHBondContact O-CB 3.08Å; R452-Y455 PolarHBondContact O-N 2.89Å; R452-Y455 VanDerWaalsContact O-N 3.08Å; A453-Y455 VanDerWaalsContact C-N 3.26Å; A453-Y455 PolarHBondContact O-N 3.2Å; Y455-G482 CarbonylContact C-O 3.51Å; Y455-G482 VanDerWaalsContact CA-O 3.3Å; Y455-G482 WeakPolarHBondContact CA-O 3.33Å; Y455-R483 HydrophobicContact CD1-CB 4.47Å; Y455-R483 HydrophobicContact CD2-CB 4.33Å; Y455-R483 HydrophobicContact CD2-CG 3.93Å; Y455-R483 HydrophobicContact CE1-CB 4.43Å; Y455-R483 HydrophobicContact CE2-CB 4.28Å; Y455-R483 VanDerWaalsContact CE2-CD 3.44Å; Y455-R483 HydrophobicContact CE2-CG 3.8Å; Y455-R483 HydrophobicContact CG-CB 4.41Å; Y455-R483 HydrophobicContact CG-CG 4.47Å; Y455-V506 WeakPolarHBondContact CE1-O 3.37Å; Y455-F508 HydrophobicContact CD1-CD2 4.36Å; Y455-F508 AromaticContact CE1-CD2 3.74Å; Y455-F508 HydrophobicContact CE1-CD2 3.74Å; Y455-F508 HydrophobicContact CE1-CE2 4.37Å; Y455-F508 PolarHBondContact OH-N 2.92Å; Y455-F508 VanDerWaalsContact OH-N 3.1Å
456	Y	96.7	Very high	92.8	Very high	95 Å²	95	60.4 Å²	60.4	37%	0.373	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	165.1	176.3	67.2	-89.9	0	0	0	111.2	V481 G482 E484	Y456-V481 WeakPolarHBondContact O-CA 3.38Å; Y456-G482 WeakPolarHBondContact CD1-O 3.39Å; Y456-G482 PolarHBondContact N-O 2.86Å; Y456-G482 PolarHBondContact O-N 2.98Å; Y456-E484 HydrophobicContact CD1-CG 4.4Å
457	C	96.7	Very high	93.1	Very high	14 Å²	14	64.6 Å²	64.6	10%	0.095	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.1	167.1	46.4	0	0	0	0	110.4	P459 S460 F479 T480 L502	C457-P459 CarbonylContact C-O 3.58Å; C457-S460 WeakPolarHBondContact O-CA 3.45Å; C457-F479 HydrophobicContact CB-CE2 3.85Å; C457-F479 HydrophobicContact CB-CZ 3.89Å; C457-T480 CarbonylContact C-O 3.52Å; C457-T480 WeakPolarHBondContact CA-O 3.45Å; C457-L502 HydrophobicContact CB-CD1 4.34Å
458	D	96.1	Very high	93.2	Very high	90 Å²	90	63.5 Å²	63.5	48%	0.481	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	117.8	177.4	171.7	40.9	0	0	0	108.6	T480	D458-T480 PolarHBondContact N-O 2.9Å; D458-T480 PolarHBondContact O-N 2.77Å
459	P	95.7	Very high	93.1	Very high	25 Å²	25	64.3 Å²	64.3	16%	0.162	34%	0.343	C	S	.	.	S	Bend	cis	-56.4	152.5	-3.8	-22.2	34.1	0	0	0	113.3	C457 E463 L464 M467 V476	C457-P459 CarbonylContact C-O 3.58Å; P459-E463 HydrophobicContact CB-CB 3.82Å; P459-L464 HydrophobicContact CB-CD2 4.2Å; P459-M467 HydrophobicContact CG-SD 4.24Å; P459-V476 HydrophobicContact CG-CG1 3.91Å
460	S	95	Very high	92.9	Very high	44 Å²	44	71 Å²	71	31%	0.308	38%	0.378	S	S	.	.			trans	-67.1	160.6	-177.2	68.9	0	0	0	0	112.3	C457 E462 E463 L464	C457-S460 WeakPolarHBondContact O-CA 3.45Å; S460-E462 PolarHBondContact O-N 2.77Å; S460-E463 VanDerWaalsContact CB-OE2 3.23Å; S460-E463 WeakPolarHBondContact CB-OE2 3.24Å; S460-E463 PolarHBondContact N-OE2 2.71Å; S460-E463 PolarHBondContact O-N 2.88Å; S460-E463 PolarHBondContact OG-OE2 3.24Å; S460-L464 WeakPolarHBondContact O-CG 3.42Å; S460-L464 PolarHBondContact O-N 3Å
461	L	91.6	Very high	92.7	Very high	66 Å²	66	75.4 Å²	75.4	35%	0.346	40%	0.399	S	S	.	.	H	α-helix	trans	-50.6	-34.4	179.6	-178.4	62	0	0	0	113.4	L446 I448 E465	L446-L461 HydrophobicContact CD2-CD1 3.86Å; I448-L461 HydrophobicContact CG2-CD1 3.27Å; L461-E465 WeakPolarHBondContact O-CG 3.43Å; L461-E465 PolarHBondContact O-N 3.16Å
462	E	91.1	Very high	92.4	Very high	136 Å²	136	68.8 Å²	68.8	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-76.3	-37.9	-179.9	-52.6	-164.2	134	0	0	111.8	S460 E465 E466	S460-E462 PolarHBondContact O-N 2.77Å; E462-E465 PolarHBondContact O-N 3.43Å; E462-E466 PolarHBondContact O-N 3.14Å
463	E	93.3	Very high	92.3	Very high	96 Å²	96	70.8 Å²	70.8	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-68.1	-37.5	173.3	-67.4	162.1	121	0	0	111.5	P459 S460 E465 E466 M467	P459-E463 HydrophobicContact CB-CB 3.82Å; S460-E463 VanDerWaalsContact CB-OE2 3.23Å; S460-E463 WeakPolarHBondContact CB-OE2 3.24Å; S460-E463 PolarHBondContact N-OE2 2.71Å; S460-E463 PolarHBondContact O-N 2.88Å; S460-E463 PolarHBondContact OG-OE2 3.24Å; E463-E465 PolarHBondContact O-N 3.3Å; E463-E466 PolarHBondContact O-N 2.77Å; E463-E466 VanDerWaalsContact O-N 3.07Å; E463-M467 WeakPolarHBondContact O-CG 3.35Å; E463-M467 PolarHBondContact O-N 3.22Å
464	L	93.2	Very high	92.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-30.5	174.4	-63.5	179.2	0	0	0	113	L446 I448 P459 S460 I468 C474 V476 F479 V497	L446-L464 HydrophobicContact CD1-CB 4.33Å; L446-L464 HydrophobicContact CD2-CB 3.53Å; L446-L464 HydrophobicContact CD2-CD1 4.45Å; I448-L464 HydrophobicContact CD1-CD1 3.79Å; P459-L464 HydrophobicContact CB-CD2 4.2Å; S460-L464 WeakPolarHBondContact O-CG 3.42Å; S460-L464 PolarHBondContact O-N 3Å; L464-I468 WeakPolarHBondContact O-CG1 3.22Å; L464-C474 PolarHBondContact O-SG 3.42Å; L464-V476 HydrophobicContact CD2-CG2 3.71Å; L464-F479 HydrophobicContact CD1-CE2 3.94Å; L464-F479 HydrophobicContact CD2-CD2 4.39Å; L464-F479 HydrophobicContact CD2-CE2 4.24Å; L464-V497 HydrophobicContact CD1-CG2 4.5Å; L464-V497 HydrophobicContact CD2-CG2 4.18Å
465	E	88.3	Confident	92.2	Very high	21 Å²	21	68.6 Å²	68.6	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-73.8	-26	174.2	-71.8	170.2	-172.5	0	0	113	K443 L446 L461 E462 E463	K443-E465 WeakPolarHBondContact CD-OE1 3.33Å; K443-E465 WeakPolarHBondContact CE-OE2 3.14Å; K443-E465 VanDerWaalsContact CG-OE1 3.3Å; K443-E465 WeakPolarHBondContact CG-OE1 3.36Å; K443-E465 WeakPolarHBondContact CG-OE2 3.45Å; K443-E465 IonicContact NZ-OE1 2.78Å; K443-E465 PolarHBondContact NZ-OE1 3.12Å; K443-E465 IonicContact NZ-OE2 2.61Å; K443-E465 PolarHBondContact NZ-OE2 3.21Å; L446-E465 HydrophobicContact CD2-CG 3.97Å; L461-E465 WeakPolarHBondContact O-CG 3.43Å; L461-E465 PolarHBondContact O-N 3.16Å; E462-E465 PolarHBondContact O-N 3.43Å; E463-E465 PolarHBondContact O-N 3.3Å
466	E	89.5	Confident	92.1	Very high	157 Å²	157	67.6 Å²	67.6	73%	0.734	35%	0.354	S	S	*	.	H	α-helix	trans	-80	-30.3	172.1	-63.2	-162.9	163.5	0	0	112.1	E462 E463 I468	E462-E466 PolarHBondContact O-N 3.14Å; E463-E466 PolarHBondContact O-N 2.77Å; E463-E466 VanDerWaalsContact O-N 3.07Å; E466-I468 VanDerWaalsContact C-N 3.35Å; E466-I468 PolarHBondContact O-N 3.44Å
467	M	89.8	Confident	92	Very high	91 Å²	91	66.7 Å²	66.7	45%	0.448	36%	0.362	S	S	.	.	S	Bend	trans	-82	2.2	179.2	-68.2	-175.4	73.9	0	0	115.5	P459 E463 G469 V476	P459-M467 HydrophobicContact CG-SD 4.24Å; E463-M467 WeakPolarHBondContact O-CG 3.35Å; E463-M467 PolarHBondContact O-N 3.22Å; M467-G469 PolarHBondContact O-N 2.84Å; M467-V476 HydrophobicContact CE-CG1 4.33Å; M467-V476 HydrophobicContact CE-CG2 4Å; M467-V476 HydrophobicContact SD-CG2 4.25Å
468	I	90.5	Very high	91.9	Very high	20 Å²	20	70 Å²	70	10%	0.103	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-66.5	124.4	174.8	-47.7	175.4	0	0	0	109.8	R442 H445 L446 L464 E466 C474	R442-I468 HydrophobicContact CB-CD1 4.44Å; H445-I468 HydrophobicContact CB-CD1 4.4Å; L446-I468 HydrophobicContact CB-CD1 3.96Å; L446-I468 HydrophobicContact CD1-CD1 4.48Å; L446-I468 HydrophobicContact CD1-CG1 4.21Å; L464-I468 WeakPolarHBondContact O-CG1 3.22Å; E466-I468 VanDerWaalsContact C-N 3.35Å; E466-I468 PolarHBondContact O-N 3.44Å; I468-C474 HydrophobicContact CG1-CB 4.43Å
469	G	89.9	Confident	91.9	Very high	33 Å²	33	65.7 Å²	65.7	34%	0.34	36%	0.356	S	S	.	.			trans	-70	164.9	174.4	0	0	0	0	0	113.7	M467 D471 G472 Y473	M467-G469 PolarHBondContact O-N 2.84Å; G469-D471 PolarHBondContact O-N 3.35Å; G469-D471 VanDerWaalsContact O-N 3.1Å; G469-G472 PolarHBondContact O-N 3.36Å; G469-Y473 PolarHBondContact N-O 3.31Å
470	D	87.9	Confident	92	Very high	176 Å²	176	65.2 Å²	65.2	94%	0.941	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.2	176.3	-66.2	-48.3	0	0	0	113.4
471	D	88.1	Confident	92.1	Very high	115 Å²	115	63.1 Å²	63.1	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.6	172.9	61.5	-2.1	0	0	0	113.8	G469 Y473	G469-D471 PolarHBondContact O-N 3.35Å; G469-D471 VanDerWaalsContact O-N 3.1Å; D471-Y473 HydrophobicContact CB-CD2 4.28Å; D471-Y473 PolarHBondContact OD1-N 2.94Å
472	G	87.3	Confident	92.4	Very high	31 Å²	31	60 Å²	60	32%	0.32	32%	0.322	S	S	.	.	S	Bend	trans	86.8	1.7	-176	0	0	0	0	0	114.9	G469 T498	G469-G472 PolarHBondContact O-N 3.36Å; G472-T498 PolarHBondContact O-OG1 2.72Å
473	Y	91.1	Very high	92.7	Very high	126 Å²	126	56 Å²	56	49%	0.494	30%	0.301	S	S	.	.			trans	-94.5	136.8	175.6	-65.8	-64.1	0	0	0	111.3	G469 D471 N496 T498	G469-Y473 PolarHBondContact N-O 3.31Å; D471-Y473 HydrophobicContact CB-CD2 4.28Å; D471-Y473 PolarHBondContact OD1-N 2.94Å; Y473-N496 VanDerWaalsContact CD1-ND2 3.3Å; Y473-N496 WeakPolarHBondContact CD1-ND2 3.45Å; Y473-T498 WeakPolarHBondContact CA-OG1 3.36Å
474	C	93.3	Very high	92.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-104.5	105.8	170.6	-172.4	0	0	0	0	107.8	L446 L464 I468 N496 V497 T498	L446-C474 HydrophobicContact CD1-CB 3.51Å; L464-C474 PolarHBondContact O-SG 3.42Å; I468-C474 HydrophobicContact CG1-CB 4.43Å; C474-N496 WeakPolarHBondContact O-CA 3.43Å; C474-N496 PolarHBondContact O-OD1 3.32Å; C474-V497 HydrophobicContact CB-CG2 3.92Å; C474-V497 PolarHBondContact O-N 3.03Å; C474-T498 PolarHBondContact N-OG1 2.68Å
475	V	94.4	Very high	92.9	Very high	80 Å²	80	61 Å²	61	49%	0.485	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.7	-178.5	-178.5	0	0	0	0	109.4	P494 L495 N496	V475-P494 HydrophobicContact CG1-CB 3.82Å; V475-L495 CarbonylContact C-O 3.37Å; V475-L495 WeakPolarHBondContact CA-O 3.36Å; V475-N496 HydrophobicContact CG2-CB 4.28Å
476	V	94.9	Very high	93.3	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139	-169.6	-177.6	0	0	0	0	110.4	P459 L464 M467 F479 P494 L495 V497	P459-V476 HydrophobicContact CG-CG1 3.91Å; L464-V476 HydrophobicContact CD2-CG2 3.71Å; M467-V476 HydrophobicContact CE-CG1 4.33Å; M467-V476 HydrophobicContact CE-CG2 4Å; M467-V476 HydrophobicContact SD-CG2 4.25Å; V476-F479 HydrophobicContact CB-CB 4.41Å; V476-F479 HydrophobicContact CG1-CB 4.22Å; V476-P494 WeakPolarHBondContact O-CA 3.21Å; V476-L495 PolarHBondContact N-O 2.61Å; V476-L495 PolarHBondContact O-N 3.11Å; V476-V497 HydrophobicContact CG2-CG2 4.27Å
477	S	94.4	Very high	93.6	Very high	77 Å²	77	56.1 Å²	56.1	54%	0.538	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	138.1	173.3	57.3	0	0	0	0	111.5	F479 G493	S477-F479 PolarHBondContact O-N 3.34Å; S477-G493 WeakPolarHBondContact CA-O 3.42Å
478	N	94.4	Very high	94	Very high	82 Å²	82	52.9 Å²	52.9	44%	0.439	29%	0.288	S	S	.	.	S	Bend	trans	61.7	27.2	179.2	-51.1	-25.8	0	0	0	113.8	T480 M490 W491 G493	N478-T480 PolarHBondContact O-N 3.49Å; N478-T480 PolarHBondContact O-OG1 2.8Å; N478-M490 HydrophobicContact CB-CG 4.3Å; N478-M490 HydrophobicContact CB-SD 4.28Å; N478-W491 VanDerWaalsContact CA-O 3.26Å; N478-W491 WeakPolarHBondContact CA-O 3.5Å; N478-G493 PolarHBondContact N-O 3.1Å
479	F	96.7	Very high	94.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.			trans	-51.8	132.3	175.4	-179.6	-114.4	0	0	0	110.8	I448 C457 L464 V476 S477 V481 M490 W491 L495 V497 L502	I448-F479 HydrophobicContact CD1-CZ 4.09Å; C457-F479 HydrophobicContact CB-CE2 3.85Å; C457-F479 HydrophobicContact CB-CZ 3.89Å; L464-F479 HydrophobicContact CD1-CE2 3.94Å; L464-F479 HydrophobicContact CD2-CD2 4.39Å; L464-F479 HydrophobicContact CD2-CE2 4.24Å; V476-F479 HydrophobicContact CB-CB 4.41Å; V476-F479 HydrophobicContact CG1-CB 4.22Å; S477-F479 PolarHBondContact O-N 3.34Å; F479-V481 HydrophobicContact CD1-CG2 4.17Å; F479-V481 HydrophobicContact CE1-CG2 3.37Å; F479-V481 HydrophobicContact CZ-CG2 3.69Å; F479-M490 WeakPolarHBondContact O-CA 3.47Å; F479-W491 HydrophobicContact CD1-CE3 4.23Å; F479-W491 PolarHBondContact O-N 3.15Å; F479-L495 HydrophobicContact CB-CD2 4.14Å; F479-L495 HydrophobicContact CD1-CD2 3.66Å; F479-L495 HydrophobicContact CG-CD2 4.28Å; F479-V497 HydrophobicContact CB-CG1 4.42Å; F479-V497 HydrophobicContact CD1-CG1 3.72Å; F479-V497 HydrophobicContact CD2-CG1 4.09Å; F479-V497 HydrophobicContact CE1-CG1 3.88Å; F479-V497 HydrophobicContact CE2-CG1 4.27Å; F479-V497 HydrophobicContact CG-CG1 3.8Å; F479-V497 HydrophobicContact CZ-CG1 4.16Å; F479-L502 HydrophobicContact CE1-CD1 4.39Å; F479-L502 HydrophobicContact CE1-CD2 4.36Å; F479-L502 HydrophobicContact CZ-CD1 3.96Å
480	T	97.8	Very high	94.7	Very high	16 Å²	16	52.5 Å²	52.5	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.4	-176.3	-61.9	0	0	0	0	110.4	C457 D458 N478 V489 M490	C457-T480 CarbonylContact C-O 3.52Å; C457-T480 WeakPolarHBondContact CA-O 3.45Å; D458-T480 PolarHBondContact N-O 2.9Å; D458-T480 PolarHBondContact O-N 2.77Å; N478-T480 PolarHBondContact O-N 3.49Å; N478-T480 PolarHBondContact O-OG1 2.8Å; T480-V489 CarbonylContact C-O 3.48Å; T480-V489 VanDerWaalsContact CA-O 3.23Å; T480-V489 WeakPolarHBondContact CA-O 3.39Å; T480-M490 WeakPolarHBondContact OG1-CB 3.18Å; T480-M490 WeakPolarHBondContact OG1-CG 3.21Å
481	V	97.7	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.1	170.1	-176.9	0	0	0	0	107.5	Y456 F479 S488 V489 W491 L502 V506 F508	Y456-V481 WeakPolarHBondContact O-CA 3.38Å; F479-V481 HydrophobicContact CD1-CG2 4.17Å; F479-V481 HydrophobicContact CE1-CG2 3.37Å; F479-V481 HydrophobicContact CZ-CG2 3.69Å; V481-S488 CarbonylContact O-C 3.56Å; V481-S488 WeakPolarHBondContact O-CA 3.38Å; V481-V489 PolarHBondContact N-O 3.49Å; V481-V489 PolarHBondContact O-N 3.18Å; V481-W491 HydrophobicContact CB-CH2 4.26Å; V481-W491 HydrophobicContact CB-CZ3 3.86Å; V481-W491 HydrophobicContact CG2-CH2 4.25Å; V481-W491 HydrophobicContact CG2-CZ3 3.69Å; V481-L502 HydrophobicContact CG1-CD1 4.29Å; V481-L502 HydrophobicContact CG2-CD1 3.74Å; V481-L502 HydrophobicContact CG2-CD2 4.18Å; V481-V506 HydrophobicContact CG1-CB 4.36Å; V481-V506 HydrophobicContact CG1-CG1 4.16Å; V481-V506 HydrophobicContact CG1-CG2 4.47Å; V481-F508 HydrophobicContact CG1-CE2 4.49Å; V481-F508 WeakPolarHBondContact O-CZ 3.47Å
482	G	97.6	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	168.4	-178.4	0	0	0	0	0	113.8	Y455 Y456 G487	Y455-G482 CarbonylContact C-O 3.51Å; Y455-G482 VanDerWaalsContact CA-O 3.3Å; Y455-G482 WeakPolarHBondContact CA-O 3.33Å; Y456-G482 WeakPolarHBondContact CD1-O 3.39Å; Y456-G482 PolarHBondContact N-O 2.86Å; Y456-G482 PolarHBondContact O-N 2.98Å; G482-G487 CarbonylContact C-O 3.6Å; G482-G487 VanDerWaalsContact CA-O 3.3Å; G482-G487 WeakPolarHBondContact CA-O 3.49Å
483	R	97.7	Very high	95.8	Very high	51 Å²	51	40.4 Å²	40.4	19%	0.192	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.8	172.1	-175.8	-173.2	-174.6	-167.7	-6.1	109	G454 Y455 N485 Y486 G487 F508	G454-R483 CarbonylContact O-C 3.57Å; G454-R483 VanDerWaalsContact O-CA 3.25Å; G454-R483 WeakPolarHBondContact O-CA 3.21Å; Y455-R483 HydrophobicContact CD1-CB 4.47Å; Y455-R483 HydrophobicContact CD2-CB 4.33Å; Y455-R483 HydrophobicContact CD2-CG 3.93Å; Y455-R483 HydrophobicContact CE1-CB 4.43Å; Y455-R483 HydrophobicContact CE2-CB 4.28Å; Y455-R483 VanDerWaalsContact CE2-CD 3.44Å; Y455-R483 HydrophobicContact CE2-CG 3.8Å; Y455-R483 HydrophobicContact CG-CB 4.41Å; Y455-R483 HydrophobicContact CG-CG 4.47Å; R483-N485 PolarHBondContact O-N 2.87Å; R483-Y486 HydrophobicContact CG-CD2 3.79Å; R483-Y486 HydrophobicContact CG-CE2 4.47Å; R483-Y486 HydrophobicContact CG-CG 4.19Å; R483-Y486 VanDerWaalsContact CZ-CE2 3.45Å; R483-Y486 PolarHBondContact NH2-OH 2.92Å; R483-Y486 PolarHBondContact O-N 3.49Å; R483-G487 PolarHBondContact N-O 2.82Å; R483-G487 PolarHBondContact O-N 2.9Å; R483-G487 VanDerWaalsContact O-N 3.11Å; R483-F508 HydrophobicContact CB-CB 3.85Å; R483-F508 HydrophobicContact CB-CD2 3.6Å; R483-F508 HydrophobicContact CB-CE2 4.34Å; R483-F508 HydrophobicContact CB-CG 3.86Å; R483-F508 HydrophobicContact CG-CB 4.48Å; R483-F508 PolarHBondContact NH1-O 2.86Å
484	E	95.6	Very high	95.9	Very high	126 Å²	126	38.7 Å²	38.7	59%	0.589	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	128.6	-179.5	-64.3	-176.2	156.6	0	0	111.1	G454 Y456 Y486	G454-E484 PolarHBondContact O-N 3.04Å; Y456-E484 HydrophobicContact CD1-CG 4.4Å; E484-Y486 VanDerWaalsContact C-N 3.27Å; E484-Y486 WeakPolarHBondContact O-CD2 3.41Å; E484-Y486 PolarHBondContact O-N 3.02Å
485	N	94	Very high	96	Very high	75 Å²	75	39.1 Å²	39.1	40%	0.401	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	7.7	-180	-53.1	-91.4	0	0	0	116.2	R483 E538 R539	R483-N485 PolarHBondContact O-N 2.87Å; N485-E538 WeakPolarHBondContact CA-OE2 2.93Å; N485-E538 PolarHBondContact N-OE2 2.96Å; N485-R539 WeakPolarHBondContact O-CD 3.4Å; N485-R539 PolarHBondContact OD1-NH2 3.49Å
486	Y	96.3	Very high	96	Very high	75 Å²	75	38.4 Å²	38.4	29%	0.294	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-46.2	175.9	-70.4	-106.7	0	0	0	112.2	R483 E484 E538	R483-Y486 HydrophobicContact CG-CD2 3.79Å; R483-Y486 HydrophobicContact CG-CE2 4.47Å; R483-Y486 HydrophobicContact CG-CG 4.19Å; R483-Y486 VanDerWaalsContact CZ-CE2 3.45Å; R483-Y486 PolarHBondContact NH2-OH 2.92Å; R483-Y486 PolarHBondContact O-N 3.49Å; E484-Y486 VanDerWaalsContact C-N 3.27Å; E484-Y486 WeakPolarHBondContact O-CD2 3.41Å; E484-Y486 PolarHBondContact O-N 3.02Å; Y486-E538 PolarHBondContact O-N 3.06Å
487	G	96.7	Very high	96	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-173.3	-177.9	0	0	0	0	0	114.8	G482 R483 V536	G482-G487 CarbonylContact C-O 3.6Å; G482-G487 VanDerWaalsContact CA-O 3.3Å; G482-G487 WeakPolarHBondContact CA-O 3.49Å; R483-G487 PolarHBondContact N-O 2.82Å; R483-G487 PolarHBondContact O-N 2.9Å; R483-G487 VanDerWaalsContact O-N 3.11Å; G487-V536 CarbonylContact C-O 3.37Å; G487-V536 WeakPolarHBondContact CA-O 3.37Å
488	S	97.7	Very high	95.9	Very high	22 Å²	22	36.5 Å²	36.5	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.7	172.7	63.4	0	0	0	0	112.6	V481 V536	V481-S488 CarbonylContact O-C 3.56Å; V481-S488 WeakPolarHBondContact O-CA 3.38Å; S488-V536 PolarHBondContact N-O 3.48Å; S488-V536 PolarHBondContact O-N 2.94Å
489	V	97.8	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.4	176.5	-179.7	0	0	0	0	108.4	T480 V481 W491 F508 V513 A533 R534 I535 F585	T480-V489 CarbonylContact C-O 3.48Å; T480-V489 VanDerWaalsContact CA-O 3.23Å; T480-V489 WeakPolarHBondContact CA-O 3.39Å; V481-V489 PolarHBondContact N-O 3.49Å; V481-V489 PolarHBondContact O-N 3.18Å; V489-W491 HydrophobicContact CB-CE3 4.49Å; V489-W491 HydrophobicContact CB-CH2 3.74Å; V489-W491 HydrophobicContact CB-CZ2 4.3Å; V489-W491 HydrophobicContact CB-CZ3 3.84Å; V489-W491 HydrophobicContact CG1-CD2 4.05Å; V489-W491 HydrophobicContact CG1-CE3 3.98Å; V489-W491 HydrophobicContact CG1-CH2 3.5Å; V489-W491 VanDerWaalsContact CG1-CH2 3.5Å; V489-W491 HydrophobicContact CG1-CZ2 3.57Å; V489-W491 HydrophobicContact CG1-CZ3 3.7Å; V489-W491 VanDerWaalsContact O-CZ3 3.26Å; V489-W491 WeakPolarHBondContact O-CZ3 3.38Å; V489-F508 HydrophobicContact CB-CZ 4.44Å; V489-F508 HydrophobicContact CG2-CE1 3.85Å; V489-F508 HydrophobicContact CG2-CZ 3.8Å; V489-V513 HydrophobicContact CG2-CG1 4.49Å; V489-V513 HydrophobicContact CG2-CG2 3.87Å; V489-A533 HydrophobicContact CG1-CB 3.9Å; V489-R534 CarbonylContact C-O 3.55Å; V489-R534 WeakPolarHBondContact CA-O 3.34Å; V489-I535 HydrophobicContact CG1-CG1 4.4Å; V489-I535 HydrophobicContact CG2-CG1 4.11Å; V489-F585 HydrophobicContact CG1-CE1 4.14Å; V489-F585 HydrophobicContact CG1-CZ 3.54Å
490	M	97.9	Very high	95.7	Very high	45 Å²	45	35.4 Å²	35.4	22%	0.222	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.1	178.7	179.7	-162.9	79.4	0	0	109.8	N478 F479 T480 F492 A533 R534	N478-M490 HydrophobicContact CB-CG 4.3Å; N478-M490 HydrophobicContact CB-SD 4.28Å; F479-M490 WeakPolarHBondContact O-CA 3.47Å; T480-M490 WeakPolarHBondContact OG1-CB 3.18Å; T480-M490 WeakPolarHBondContact OG1-CG 3.21Å; M490-F492 HydrophobicContact CE-CD1 3.8Å; M490-F492 HydrophobicContact CE-CE1 3.41Å; M490-F492 VanDerWaalsContact CE-CE1 3.41Å; M490-F492 HydrophobicContact CE-CE2 4.49Å; M490-F492 HydrophobicContact CE-CG 4.49Å; M490-F492 HydrophobicContact CE-CZ 3.82Å; M490-A533 CarbonylContact O-C 3.57Å; M490-A533 VanDerWaalsContact O-CA 3.22Å; M490-A533 WeakPolarHBondContact O-CA 2.99Å; M490-A533 WeakPolarHBondContact O-CB 2.92Å; M490-R534 HydrophobicContact CE-CB 4.13Å; M490-R534 PolarHBondContact N-O 2.88Å; M490-R534 PolarHBondContact O-N 2.86Å
491	W	97.6	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.8	180	-73.7	-92.5	0	0	0	111.6	N478 F479 V481 V489 L495 V506 V515 L529 A533 F585	N478-W491 VanDerWaalsContact CA-O 3.26Å; N478-W491 WeakPolarHBondContact CA-O 3.5Å; F479-W491 HydrophobicContact CD1-CE3 4.23Å; F479-W491 PolarHBondContact O-N 3.15Å; V481-W491 HydrophobicContact CB-CH2 4.26Å; V481-W491 HydrophobicContact CB-CZ3 3.86Å; V481-W491 HydrophobicContact CG2-CH2 4.25Å; V481-W491 HydrophobicContact CG2-CZ3 3.69Å; V489-W491 HydrophobicContact CB-CE3 4.49Å; V489-W491 HydrophobicContact CB-CH2 3.74Å; V489-W491 HydrophobicContact CB-CZ2 4.3Å; V489-W491 HydrophobicContact CB-CZ3 3.84Å; V489-W491 HydrophobicContact CG1-CD2 4.05Å; V489-W491 HydrophobicContact CG1-CE3 3.98Å; V489-W491 HydrophobicContact CG1-CH2 3.5Å; V489-W491 VanDerWaalsContact CG1-CH2 3.5Å; V489-W491 HydrophobicContact CG1-CZ2 3.57Å; V489-W491 HydrophobicContact CG1-CZ3 3.7Å; V489-W491 VanDerWaalsContact O-CZ3 3.26Å; V489-W491 WeakPolarHBondContact O-CZ3 3.38Å; W491-L495 HydrophobicContact CB-CD2 4.11Å; W491-L495 HydrophobicContact CD2-CD2 4.48Å; W491-L495 HydrophobicContact CG-CD2 4.22Å; W491-V506 HydrophobicContact CH2-CG2 4.01Å; W491-V515 HydrophobicContact CZ2-CG1 4.41Å; W491-V515 HydrophobicContact CZ2-CG2 4.4Å; W491-L529 HydrophobicContact CD2-CD2 4.07Å; W491-L529 HydrophobicContact CE3-CD2 4.45Å; W491-L529 HydrophobicContact CH2-CD2 4.29Å; W491-L529 HydrophobicContact CZ2-CB 3.97Å; W491-L529 HydrophobicContact CZ2-CD1 4.22Å; W491-L529 HydrophobicContact CZ2-CD2 3.87Å; W491-L529 HydrophobicContact CZ2-CG 4.24Å; W491-L529 PolarHBondContact NE1-O 3.09Å; W491-A533 HydrophobicContact CG-CB 4.19Å; W491-F585 HydrophobicContact CZ2-CE2 4.3Å; W491-F585 HydrophobicContact CZ2-CZ 4.19Å; W491-F585 AromaticContact NE1-CE2 3.34Å; W491-F585 VanDerWaalsContact NE1-CE2 3.34Å; W491-F585 AromaticContact NE1-CZ 3.97Å
492	F	95.1	Very high	95.4	Very high	44 Å²	44	36.8 Å²	36.8	19%	0.193	21%	0.206	C	C	.	.			trans	-77.9	136	-172.4	-72.4	-78.9	0	0	0	113.3	M490 R531 R532 A533 R534 E581	M490-F492 HydrophobicContact CE-CD1 3.8Å; M490-F492 HydrophobicContact CE-CE1 3.41Å; M490-F492 VanDerWaalsContact CE-CE1 3.41Å; M490-F492 HydrophobicContact CE-CE2 4.49Å; M490-F492 HydrophobicContact CE-CG 4.49Å; M490-F492 HydrophobicContact CE-CZ 3.82Å; F492-R531 VanDerWaalsContact O-CZ 3.31Å; F492-R531 PolarHBondContact O-NH1 2.82Å; F492-R531 PolarHBondContact O-NH2 2.9Å; F492-R532 HydrophobicContact CD2-CG 3.96Å; F492-R532 HydrophobicContact CE2-CG 4.44Å; F492-R532 PolarHBondContact N-O 3.36Å; F492-R532 VanDerWaalsContact N-O 3.09Å; F492-A533 VanDerWaalsContact CE2-C 3.49Å; F492-R534 HydrophobicContact CE2-CB 4Å; F492-R534 HydrophobicContact CZ-CB 3.93Å; F492-E581 HydrophobicContact CE2-CG 4.02Å; F492-E581 HydrophobicContact CZ-CG 4.08Å
493	G	93.1	Very high	95.1	Very high	25 Å²	25	38 Å²	38	26%	0.258	21%	0.213	S	C	.	.	S	Bend	trans	68.8	-166.4	177.4	0	0	0	0	0	113.1	S477 N478	S477-G493 WeakPolarHBondContact CA-O 3.42Å; N478-G493 PolarHBondContact N-O 3.1Å
494	P	94.3	Very high	94.9	Very high	90 Å²	90	42.4 Å²	42.4	58%	0.584	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	135	-174.1	27.8	-34.5	0	0	0	112.5	V475 V476 R531	V475-P494 HydrophobicContact CG1-CB 3.82Å; V476-P494 WeakPolarHBondContact O-CA 3.21Å; P494-R531 PolarHBondContact O-NH2 2.91Å
495	L	95.3	Very high	94.9	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.7	174.6	168.1	62.4	0	0	0	108.7	V475 V476 F479 W491 V497 E528 L529	V475-L495 CarbonylContact C-O 3.37Å; V475-L495 WeakPolarHBondContact CA-O 3.36Å; V476-L495 PolarHBondContact N-O 2.61Å; V476-L495 PolarHBondContact O-N 3.11Å; F479-L495 HydrophobicContact CB-CD2 4.14Å; F479-L495 HydrophobicContact CD1-CD2 3.66Å; F479-L495 HydrophobicContact CG-CD2 4.28Å; W491-L495 HydrophobicContact CB-CD2 4.11Å; W491-L495 HydrophobicContact CD2-CD2 4.48Å; W491-L495 HydrophobicContact CG-CD2 4.22Å; L495-V497 HydrophobicContact CD2-CG1 3.97Å; L495-V497 HydrophobicContact CG-CG1 3.89Å; L495-E528 WeakPolarHBondContact CD1-O 3.28Å; L495-L529 HydrophobicContact CD1-CD2 4.4Å; L495-L529 HydrophobicContact CD2-CD2 3.68Å
496	N	94.4	Very high	94.9	Very high	65 Å²	65	33.5 Å²	33.5	35%	0.348	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.3	167.1	-175.1	0.9	0	0	0	108.9	Y473 C474 V475 T498	Y473-N496 VanDerWaalsContact CD1-ND2 3.3Å; Y473-N496 WeakPolarHBondContact CD1-ND2 3.45Å; C474-N496 WeakPolarHBondContact O-CA 3.43Å; C474-N496 PolarHBondContact O-OD1 3.32Å; V475-N496 HydrophobicContact CG2-CB 4.28Å; N496-T498 PolarHBondContact OD1-N 3.14Å
497	V	94.5	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.			trans	-108.7	-2.9	-178.5	-57.9	0	0	0	0	113.8	I448 L464 C474 V476 F479 L495 G499 L500	I448-V497 HydrophobicContact CD1-CB 4.1Å; I448-V497 HydrophobicContact CD1-CG2 4.39Å; L464-V497 HydrophobicContact CD1-CG2 4.5Å; L464-V497 HydrophobicContact CD2-CG2 4.18Å; C474-V497 HydrophobicContact CB-CG2 3.92Å; C474-V497 PolarHBondContact O-N 3.03Å; V476-V497 HydrophobicContact CG2-CG2 4.27Å; F479-V497 HydrophobicContact CB-CG1 4.42Å; F479-V497 HydrophobicContact CD1-CG1 3.72Å; F479-V497 HydrophobicContact CD2-CG1 4.09Å; F479-V497 HydrophobicContact CE1-CG1 3.88Å; F479-V497 HydrophobicContact CE2-CG1 4.27Å; F479-V497 HydrophobicContact CG-CG1 3.8Å; F479-V497 HydrophobicContact CZ-CG1 4.16Å; L495-V497 HydrophobicContact CD2-CG1 3.97Å; L495-V497 HydrophobicContact CG-CG1 3.89Å; V497-G499 PolarHBondContact O-N 3.43Å; V497-L500 HydrophobicContact CB-CD1 4.26Å; V497-L500 HydrophobicContact CG1-CD1 4.36Å; V497-L500 PolarHBondContact O-N 3.09Å
498	T	92.9	Very high	94.8	Very high	40 Å²	40	32.2 Å²	32.2	25%	0.245	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	126.5	178.1	-65.4	0	0	0	0	110.8	L446 G472 Y473 C474 N496 L500	L446-T498 WeakPolarHBondContact O-CA 3.27Å; G472-T498 PolarHBondContact O-OG1 2.72Å; Y473-T498 WeakPolarHBondContact CA-OG1 3.36Å; C474-T498 PolarHBondContact N-OG1 2.68Å; N496-T498 PolarHBondContact OD1-N 3.14Å; T498-L500 VanDerWaalsContact C-N 3.32Å; T498-L500 PolarHBondContact O-N 3.37Å
499	G	91.9	Very high	94.6	Very high	46 Å²	46	34.7 Å²	34.7	47%	0.474	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-0.5	176.8	0	0	0	0	0	116.4	L446 V497 N501	L446-G499 PolarHBondContact O-N 2.69Å; V497-G499 PolarHBondContact O-N 3.43Å; G499-N501 PolarHBondContact O-N 2.6Å
500	L	93.3	Very high	94.2	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.073	22%	0.217	C	C	.	.			trans	-69.7	123.7	-177	-65.6	-175.4	0	0	0	112.5	I448 V449 V497 T498 L502 L505 L529	I448-L500 WeakPolarHBondContact CA-O 3.42Å; I448-L500 HydrophobicContact CG1-CB 4.25Å; I448-L500 WeakPolarHBondContact CG1-O 3.47Å; V449-L500 PolarHBondContact N-O 2.7Å; V497-L500 HydrophobicContact CB-CD1 4.26Å; V497-L500 HydrophobicContact CG1-CD1 4.36Å; V497-L500 PolarHBondContact O-N 3.09Å; T498-L500 VanDerWaalsContact C-N 3.32Å; T498-L500 PolarHBondContact O-N 3.37Å; L500-L502 HydrophobicContact CB-CD2 3.94Å; L500-L502 PolarHBondContact O-N 3.1Å; L500-L502 VanDerWaalsContact O-N 3.16Å; L500-L505 HydrophobicContact CB-CD1 4.37Å; L500-L505 HydrophobicContact CD2-CD1 4.11Å; L500-L529 HydrophobicContact CD1-CD2 3.82Å; L500-L529 HydrophobicContact CD1-CG 4.13Å
501	N	94.1	Very high	93.8	Very high	43 Å²	43	38 Å²	38	23%	0.23	21%	0.208	C	C	.	.			trans	-89.9	73.4	177.9	-164.5	-28.8	0	0	0	111.1	V449 G499 D503 R504 L505	V449-N501 HydrophobicContact CB-CB 4.47Å; G499-N501 PolarHBondContact O-N 2.6Å; N501-D503 PolarHBondContact O-N 2.67Å; N501-D503 VanDerWaalsContact O-N 3.16Å; N501-R504 PolarHBondContact O-N 3.1Å; N501-L505 WeakPolarHBondContact O-CB 3.22Å; N501-L505 VanDerWaalsContact O-CG 3.32Å; N501-L505 WeakPolarHBondContact O-CG 3.37Å; N501-L505 PolarHBondContact O-N 3.4Å
502	L	94.8	Very high	93.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-53.7	-36.6	-176.3	-50.1	-176.4	0	0	0	112.6	I448 V449 C450 C457 F479 V481 L500 R504 L505 V506 L529	I448-L502 HydrophobicContact CD1-CD1 3.93Å; I448-L502 HydrophobicContact CD1-CG 4.27Å; I448-L502 HydrophobicContact CG1-CD1 4.23Å; I448-L502 HydrophobicContact CG1-CG 4.12Å; V449-L502 WeakPolarHBondContact O-CA 3.33Å; V449-L502 WeakPolarHBondContact O-CB 3.45Å; V449-L502 PolarHBondContact O-N 3.24Å; C450-L502 HydrophobicContact CB-CB 4.49Å; C450-L502 HydrophobicContact CB-CD1 4.07Å; C457-L502 HydrophobicContact CB-CD1 4.34Å; F479-L502 HydrophobicContact CE1-CD1 4.39Å; F479-L502 HydrophobicContact CE1-CD2 4.36Å; F479-L502 HydrophobicContact CZ-CD1 3.96Å; V481-L502 HydrophobicContact CG1-CD1 4.29Å; V481-L502 HydrophobicContact CG2-CD1 3.74Å; V481-L502 HydrophobicContact CG2-CD2 4.18Å; L500-L502 HydrophobicContact CB-CD2 3.94Å; L500-L502 PolarHBondContact O-N 3.1Å; L500-L502 VanDerWaalsContact O-N 3.16Å; L502-R504 PolarHBondContact O-N 3.04Å; L502-R504 VanDerWaalsContact O-N 3.1Å; L502-L505 PolarHBondContact O-N 3.03Å; L502-V506 PolarHBondContact O-N 3.29Å; L502-L529 HydrophobicContact CD2-CD1 4.42Å
503	D	93.2	Very high	93.6	Very high	26 Å²	26	37.8 Å²	37.8	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-24	175.8	-79.5	-14.7	0	0	0	114.1	V449 K451 R452 N501	V449-D503 HydrophobicContact CG1-CB 4.43Å; V449-D503 PolarHBondContact O-N 3.4Å; K451-D503 WeakPolarHBondContact CA-OD2 3.29Å; K451-D503 VanDerWaalsContact CB-OD2 3.31Å; K451-D503 WeakPolarHBondContact CB-OD2 3.41Å; K451-D503 PolarHBondContact N-OD1 3.34Å; K451-D503 PolarHBondContact N-OD2 3.45Å; R452-D503 WeakPolarHBondContact CB-OD1 3.36Å; R452-D503 WeakPolarHBondContact CD-O 3.37Å; R452-D503 HydrophobicContact CG-CB 4.08Å; R452-D503 WeakPolarHBondContact CG-OD1 3.38Å; R452-D503 PolarHBondContact N-OD1 3.46Å; R452-D503 PolarHBondContact NH1-O 3.45Å; N501-D503 PolarHBondContact O-N 2.67Å; N501-D503 VanDerWaalsContact O-N 3.16Å
504	R	93.1	Very high	93.6	Very high	143 Å²	143	37.4 Å²	37.4	54%	0.54	20%	0.2	S	C	.	.	H	α-helix	trans	-104.9	-39.3	173	-60.5	-173.7	-173.6	178.7	-0.8	112.7	N501 L502 P517 E520	N501-R504 PolarHBondContact O-N 3.1Å; L502-R504 PolarHBondContact O-N 3.04Å; L502-R504 VanDerWaalsContact O-N 3.1Å; R504-P517 VanDerWaalsContact O-CD 3.27Å; R504-P517 WeakPolarHBondContact O-CD 3.43Å; R504-P517 WeakPolarHBondContact O-CG 3.37Å; R504-E520 WeakPolarHBondContact CD-OE1 3.09Å; R504-E520 IonicContact NH1-OE1 3.83Å
505	L	94.3	Very high	93.6	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-75.3	-27.5	-170.6	-65.9	178.6	0	0	0	113.3	L500 N501 L502 V515 Y516 E520 L529	L500-L505 HydrophobicContact CB-CD1 4.37Å; L500-L505 HydrophobicContact CD2-CD1 4.11Å; N501-L505 WeakPolarHBondContact O-CB 3.22Å; N501-L505 VanDerWaalsContact O-CG 3.32Å; N501-L505 WeakPolarHBondContact O-CG 3.37Å; N501-L505 PolarHBondContact O-N 3.4Å; L502-L505 PolarHBondContact O-N 3.03Å; L505-V515 CarbonylContact O-C 3.54Å; L505-V515 VanDerWaalsContact O-CA 3.22Å; L505-V515 WeakPolarHBondContact O-CA 3.41Å; L505-V515 WeakPolarHBondContact O-CG1 3.47Å; L505-Y516 HydrophobicContact CD2-CD1 3.71Å; L505-Y516 HydrophobicContact CD2-CE1 3.59Å; L505-Y516 PolarHBondContact O-N 2.85Å; L505-E520 HydrophobicContact CD2-CB 4.47Å; L505-E520 HydrophobicContact CD2-CG 4.35Å; L505-L529 HydrophobicContact CB-CD1 4.02Å; L505-L529 HydrophobicContact CD1-CD1 4.16Å
506	V	95.2	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.9	-174.7	-175.2	0	0	0	0	110.2	Y455 V481 W491 L502 F508 V515 L529	Y455-V506 WeakPolarHBondContact CE1-O 3.37Å; V481-V506 HydrophobicContact CG1-CB 4.36Å; V481-V506 HydrophobicContact CG1-CG1 4.16Å; V481-V506 HydrophobicContact CG1-CG2 4.47Å; W491-V506 HydrophobicContact CH2-CG2 4.01Å; L502-V506 PolarHBondContact O-N 3.29Å; V506-F508 HydrophobicContact CG1-CD2 4.12Å; V506-F508 HydrophobicContact CG1-CE2 3.54Å; V506-F508 HydrophobicContact CG1-CZ 4.06Å; V506-V515 HydrophobicContact CG1-CG2 4.41Å; V506-V515 HydrophobicContact CG2-CG1 4.43Å; V506-V515 HydrophobicContact CG2-CG2 4.47Å; V506-L529 HydrophobicContact CG2-CD1 3.88Å
507	H	94.7	Very high	93.3	Very high	49 Å²	49	31.6 Å²	31.6	23%	0.227	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.6	178.3	-82.1	-152	0	0	0	110.3	R452 V513 T514	R452-H507 PolarHBondContact NH1-CD2 2.83Å; R452-H507 PolarHBondContact NH1-NE2 2.99Å; H507-V513 WeakPolarHBondContact O-CA 3.44Å; H507-V513 WeakPolarHBondContact O-CG2 3.01Å; H507-T514 PolarHBondContact N-O 2.83Å; H507-T514 PolarHBondContact O-N 3.41Å
508	F	95.4	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.4	169.3	-66.1	-87.4	0	0	0	110.7	Y455 V481 R483 V489 V506 V513	Y455-F508 HydrophobicContact CD1-CD2 4.36Å; Y455-F508 AromaticContact CE1-CD2 3.74Å; Y455-F508 HydrophobicContact CE1-CD2 3.74Å; Y455-F508 HydrophobicContact CE1-CE2 4.37Å; Y455-F508 PolarHBondContact OH-N 2.92Å; Y455-F508 VanDerWaalsContact OH-N 3.1Å; V481-F508 HydrophobicContact CG1-CE2 4.49Å; V481-F508 WeakPolarHBondContact O-CZ 3.47Å; R483-F508 HydrophobicContact CB-CB 3.85Å; R483-F508 HydrophobicContact CB-CD2 3.6Å; R483-F508 HydrophobicContact CB-CE2 4.34Å; R483-F508 HydrophobicContact CB-CG 3.86Å; R483-F508 HydrophobicContact CG-CB 4.48Å; R483-F508 PolarHBondContact NH1-O 2.86Å; V489-F508 HydrophobicContact CB-CZ 4.44Å; V489-F508 HydrophobicContact CG2-CE1 3.85Å; V489-F508 HydrophobicContact CG2-CZ 3.8Å; V506-F508 HydrophobicContact CG1-CD2 4.12Å; V506-F508 HydrophobicContact CG1-CE2 3.54Å; V506-F508 HydrophobicContact CG1-CZ 4.06Å; F508-V513 HydrophobicContact CD1-CB 4.05Å; F508-V513 HydrophobicContact CD1-CG2 3.75Å; F508-V513 HydrophobicContact CE1-CB 4.24Å; F508-V513 HydrophobicContact CE1-CG2 3.69Å; F508-V513 HydrophobicContact CG-CG2 4.35Å; F508-V513 HydrophobicContact CZ-CG2 4.24Å
509	D	93.3	Very high	91.6	Very high	75 Å²	75	42.1 Å²	42.1	40%	0.401	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	176.7	173.8	-73.5	-57.6	0	0	0	110	K511 E512	D509-K511 PolarHBondContact O-N 3.43Å; D509-K511 VanDerWaalsContact O-N 3.14Å; D509-E512 CarbonylContact C-O 3.58Å; D509-E512 HydrophobicContact CB-CB 4.36Å; D509-E512 PolarHBondContact N-O 2.9Å; D509-E512 PolarHBondContact O-N 2.94Å; D509-E512 VanDerWaalsContact O-N 3.11Å
510	H	90.3	Very high	91.3	Very high	108 Å²	108	43.3 Å²	43.3	50%	0.5	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	118.8	-171.2	-176.1	50.1	0	0	0	111.4	E512 R539	H510-E512 PolarHBondContact O-N 3.26Å; H510-R539 PolarHBondContact CE1-O 2.88Å
511	K	89.3	Confident	91	Very high	6 Å²	6	49 Å²	49	3%	0.026	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	23.7	-171.5	-38.9	178.8	-161.7	163.5	0	114.1	D509 V540 I543 G589 L590 D592	D509-K511 PolarHBondContact O-N 3.43Å; D509-K511 VanDerWaalsContact O-N 3.14Å; K511-V540 HydrophobicContact CB-CG2 4.17Å; K511-V540 HydrophobicContact CG-CG2 4.22Å; K511-I543 VanDerWaalsContact NZ-CD1 3.33Å; K511-G589 CarbonylContact O-C 3.58Å; K511-G589 WeakPolarHBondContact O-CA 3.35Å; K511-L590 HydrophobicContact CB-CB 4.13Å; K511-L590 HydrophobicContact CD-CB 4.25Å; K511-L590 HydrophobicContact CD-CD2 4.08Å; K511-L590 PolarHBondContact O-N 2.9Å; K511-D592 IonicContact NZ-OD1 3.97Å; K511-D592 PolarHBondContact NZ-OD1 2.94Å; K511-D592 IonicContact NZ-OD2 3.01Å
512	E	93.2	Very high	90.8	Very high	39 Å²	39	51 Å²	51	18%	0.182	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.4	-174.1	179.8	159.9	-93.3	0	0	112.8	D509 H510 K587 Y588	D509-E512 CarbonylContact C-O 3.58Å; D509-E512 HydrophobicContact CB-CB 4.36Å; D509-E512 PolarHBondContact N-O 2.9Å; D509-E512 PolarHBondContact O-N 2.94Å; D509-E512 VanDerWaalsContact O-N 3.11Å; H510-E512 PolarHBondContact O-N 3.26Å; E512-K587 VanDerWaalsContact CD-NZ 3.3Å; E512-K587 WeakPolarHBondContact OE1-CE 3.48Å; E512-K587 IonicContact OE1-NZ 3.43Å; E512-K587 PolarHBondContact OE1-NZ 3.39Å; E512-K587 WeakPolarHBondContact OE2-CE 3.39Å; E512-K587 IonicContact OE2-NZ 2.69Å; E512-K587 PolarHBondContact OE2-NZ 2.94Å; E512-Y588 WeakPolarHBondContact CA-O 3.45Å
513	V	94.8	Very high	90.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.6	168.4	66.6	0	0	0	0	110.7	V489 H507 F508 V515 I535 L537 Y588	V489-V513 HydrophobicContact CG2-CG1 4.49Å; V489-V513 HydrophobicContact CG2-CG2 3.87Å; H507-V513 WeakPolarHBondContact O-CA 3.44Å; H507-V513 WeakPolarHBondContact O-CG2 3.01Å; F508-V513 HydrophobicContact CD1-CB 4.05Å; F508-V513 HydrophobicContact CD1-CG2 3.75Å; F508-V513 HydrophobicContact CE1-CB 4.24Å; F508-V513 HydrophobicContact CE1-CG2 3.69Å; F508-V513 HydrophobicContact CG-CG2 4.35Å; F508-V513 HydrophobicContact CZ-CG2 4.24Å; V513-V515 HydrophobicContact CG2-CG2 4.41Å; V513-I535 HydrophobicContact CG1-CD1 3.88Å; V513-I535 HydrophobicContact CG1-CG1 4.32Å; V513-I535 HydrophobicContact CG1-CG2 3.71Å; V513-L537 HydrophobicContact CB-CD2 4.28Å; V513-L537 HydrophobicContact CG1-CD2 4.41Å; V513-Y588 PolarHBondContact N-O 3.39Å; V513-Y588 PolarHBondContact O-N 2.98Å; V513-Y588 VanDerWaalsContact O-N 3.1Å
514	T	93.5	Very high	90.7	Very high	17 Å²	17	54.3 Å²	54.3	10%	0.104	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.6	174.5	-55	0	0	0	0	108.6	H507 P517	H507-T514 PolarHBondContact N-O 2.83Å; H507-T514 PolarHBondContact O-N 3.41Å; T514-P517 HydrophobicContact CG2-CB 4.04Å
515	V	94.2	Very high	90.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.9	175.1	-177.3	0	0	0	0	107.6	W491 L505 V506 V513 L529 F585	W491-V515 HydrophobicContact CZ2-CG1 4.41Å; W491-V515 HydrophobicContact CZ2-CG2 4.4Å; L505-V515 CarbonylContact O-C 3.54Å; L505-V515 VanDerWaalsContact O-CA 3.22Å; L505-V515 WeakPolarHBondContact O-CA 3.41Å; L505-V515 WeakPolarHBondContact O-CG1 3.47Å; V506-V515 HydrophobicContact CG1-CG2 4.41Å; V506-V515 HydrophobicContact CG2-CG1 4.43Å; V506-V515 HydrophobicContact CG2-CG2 4.47Å; V513-V515 HydrophobicContact CG2-CG2 4.41Å; V515-L529 HydrophobicContact CG1-CB 3.94Å; V515-L529 HydrophobicContact CG1-CD1 4.25Å; V515-F585 HydrophobicContact CB-CB 4.06Å; V515-F585 HydrophobicContact CB-CD1 3.55Å; V515-F585 HydrophobicContact CB-CE1 4.17Å; V515-F585 HydrophobicContact CB-CG 3.82Å; V515-F585 HydrophobicContact CG1-CD1 4.4Å; V515-F585 HydrophobicContact CG1-CG 4.3Å; V515-F585 HydrophobicContact CG2-CD1 3.42Å; V515-F585 VanDerWaalsContact CG2-CD1 3.42Å; V515-F585 HydrophobicContact CG2-CE1 3.53Å; V515-F585 HydrophobicContact CG2-CG 4.13Å; V515-F585 HydrophobicContact CG2-CZ 4.32Å
516	Y	94.1	Very high	90.5	Very high	19 Å²	19	53.6 Å²	53.6	8%	0.075	32%	0.316	C	S	.	.	S	Bend	trans	58.3	69.1	-157.9	-52.9	-86.8	0	0	0	112.2	L505 E520 K522 P523 E528 L529 N530	L505-Y516 HydrophobicContact CD2-CD1 3.71Å; L505-Y516 HydrophobicContact CD2-CE1 3.59Å; L505-Y516 PolarHBondContact O-N 2.85Å; Y516-E520 HydrophobicContact CD1-CB 4.4Å; Y516-K522 HydrophobicContact CD2-CB 4.45Å; Y516-K522 HydrophobicContact CD2-CG 4.27Å; Y516-K522 HydrophobicContact CG-CB 4.06Å; Y516-K522 HydrophobicContact CG-CG 4.38Å; Y516-P523 HydrophobicContact CE1-CG 4.04Å; Y516-P523 HydrophobicContact CE2-CG 4.2Å; Y516-E528 WeakPolarHBondContact OH-CB 3.31Å; Y516-E528 PolarHBondContact OH-OE2 2.84Å; Y516-L529 HydrophobicContact CE2-CB 3.88Å; Y516-L529 PolarHBondContact OH-N 3.3Å; Y516-L529 VanDerWaalsContact OH-N 3.12Å; Y516-N530 HydrophobicContact CE2-CB 4.05Å
517	P	88.4	Confident	90.4	Very high	21 Å²	21	58.8 Å²	58.8	14%	0.136	34%	0.34	C	S	.	.			trans	-66.3	164.1	175.3	31.3	-36.8	0	0	0	112.5	R504 T514 G519 E520	R504-P517 VanDerWaalsContact O-CD 3.27Å; R504-P517 WeakPolarHBondContact O-CD 3.43Å; R504-P517 WeakPolarHBondContact O-CG 3.37Å; T514-P517 HydrophobicContact CG2-CB 4.04Å; P517-G519 PolarHBondContact O-N 3.1Å; P517-E520 PolarHBondContact O-N 3.16Å; P517-E520 VanDerWaalsContact O-N 3.08Å
518	D	77.9	Confident	90.3	Very high	183 Å²	183	60.9 Å²	60.9	98%	0.979	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	105.7	-175.1	-66.8	-39.4	0	0	0	113.2
519	G	75.8	Confident	90.3	Very high	77 Å²	77	60.9 Å²	60.9	79%	0.794	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.6	-26.4	-179.6	0	0	0	0	0	114	P517	P517-G519 PolarHBondContact O-N 3.1Å
520	E	83.6	Confident	90.4	Very high	72 Å²	72	57.4 Å²	57.4	34%	0.336	33%	0.331	S	S	.	.	S	Bend	trans	-87.8	143.5	174.2	-63.5	-65.9	174.6	0	0	111.2	R504 L505 Y516 P517 K522	R504-E520 WeakPolarHBondContact CD-OE1 3.09Å; R504-E520 IonicContact NH1-OE1 3.83Å; L505-E520 HydrophobicContact CD2-CB 4.47Å; L505-E520 HydrophobicContact CD2-CG 4.35Å; Y516-E520 HydrophobicContact CD1-CB 4.4Å; P517-E520 PolarHBondContact O-N 3.16Å; P517-E520 VanDerWaalsContact O-N 3.08Å; E520-K522 PolarHBondContact O-N 3.09Å
521	V	87.4	Confident	90.6	Very high	133 Å²	133	54.5 Å²	54.5	81%	0.806	32%	0.316	S	S	*	.			trans	-83	97.6	-179.1	-178.8	0	0	0	0	109.6	P523	V521-P523 WeakPolarHBondContact O-CD 3.47Å
522	K	90.5	Very high	90.9	Very high	85 Å²	85	59 Å²	59	37%	0.37	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-56.1	121.8	174.9	174.6	177.2	157.7	-177.8	0	111.2	Y516 E520 N530 F585 S586	Y516-K522 HydrophobicContact CD2-CB 4.45Å; Y516-K522 HydrophobicContact CD2-CG 4.27Å; Y516-K522 HydrophobicContact CG-CB 4.06Å; Y516-K522 HydrophobicContact CG-CG 4.38Å; E520-K522 PolarHBondContact O-N 3.09Å; K522-N530 VanDerWaalsContact CE-ND2 3.31Å; K522-N530 WeakPolarHBondContact CE-ND2 3.22Å; K522-F585 WeakPolarHBondContact CE-O 3.36Å; K522-F585 PolarHBondContact NZ-O 2.83Å; K522-S586 PolarHBondContact NZ-OG 3.07Å
523	P	92.3	Very high	91.1	Very high	20 Å²	20	57.1 Å²	57.1	13%	0.13	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-76.4	171.9	-179.6	31.6	-35.5	0	0	0	112.3	Y516 V521 E527 E528 N530	Y516-P523 HydrophobicContact CE1-CG 4.04Å; Y516-P523 HydrophobicContact CE2-CG 4.2Å; V521-P523 WeakPolarHBondContact O-CD 3.47Å; P523-E527 HydrophobicContact CB-CB 4.17Å; P523-E528 HydrophobicContact CG-CB 4.09Å; P523-E528 HydrophobicContact CG-CG 4.32Å; P523-N530 HydrophobicContact CG-CB 4.09Å; P523-N530 PolarHBondContact O-ND2 2.95Å
524	P	93	Very high	91.3	Very high	76 Å²	76	61.1 Å²	61.1	49%	0.494	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-50.8	155	172.1	-27.9	35.6	0	0	0	114.5	G526 E527 N530	P524-G526 PolarHBondContact O-N 2.85Å; P524-E527 HydrophobicContact CB-CG 4.31Å; P524-E527 WeakPolarHBondContact CD-OE2 3.01Å; P524-E527 PolarHBondContact O-N 2.86Å; P524-E527 VanDerWaalsContact O-N 3.15Å; P524-N530 PolarHBondContact O-ND2 3.35Å
525	V	92.6	Very high	91.5	Very high	100 Å²	100	60.3 Å²	60.3	61%	0.606	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	123.4	177.2	175.7	0	0	0	0	109.9	N530 H584	V525-N530 WeakPolarHBondContact CA-O 3.39Å; V525-H584 HydrophobicContact CB-CB 4.48Å; V525-H584 HydrophobicContact CG1-CB 3.77Å; V525-H584 HydrophobicContact CG2-CB 3.96Å
526	G	92	Very high	91.6	Very high	44 Å²	44	61.8 Å²	61.8	45%	0.454	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.5	-18.3	-174.5	0	0	0	0	0	114	P524 N530	P524-G526 PolarHBondContact O-N 2.85Å; G526-N530 PolarHBondContact N-O 2.82Å
527	E	91.9	Very high	91.7	Very high	109 Å²	109	60.9 Å²	60.9	51%	0.509	34%	0.339	S	S	.	.	S	Bend	trans	-93.6	149.2	179.9	-66.8	179.3	-157	0	0	112.1	P523 P524 L529 N530	P523-E527 HydrophobicContact CB-CB 4.17Å; P524-E527 HydrophobicContact CB-CG 4.31Å; P524-E527 WeakPolarHBondContact CD-OE2 3.01Å; P524-E527 PolarHBondContact O-N 2.86Å; P524-E527 VanDerWaalsContact O-N 3.15Å; E527-L529 PolarHBondContact O-N 2.88Å; E527-N530 PolarHBondContact O-N 3.11Å
528	E	92.8	Very high	92	Very high	93 Å²	93	62.6 Å²	62.6	44%	0.435	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.2	-122.2	-177.5	-60.1	-175.8	172	0	0	113.4	L495 Y516 P523 R531	L495-E528 WeakPolarHBondContact CD1-O 3.28Å; Y516-E528 WeakPolarHBondContact OH-CB 3.31Å; Y516-E528 PolarHBondContact OH-OE2 2.84Å; P523-E528 HydrophobicContact CG-CB 4.09Å; P523-E528 HydrophobicContact CG-CG 4.32Å; E528-R531 WeakPolarHBondContact O-CD 3.26Å; E528-R531 WeakPolarHBondContact O-CG 3.48Å
529	L	95.1	Very high	92.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.9	178.5	-57.8	179.7	0	0	0	112.8	W491 L495 L500 L502 L505 V506 V515 Y516 E527 R531 F585	W491-L529 HydrophobicContact CD2-CD2 4.07Å; W491-L529 HydrophobicContact CE3-CD2 4.45Å; W491-L529 HydrophobicContact CH2-CD2 4.29Å; W491-L529 HydrophobicContact CZ2-CB 3.97Å; W491-L529 HydrophobicContact CZ2-CD1 4.22Å; W491-L529 HydrophobicContact CZ2-CD2 3.87Å; W491-L529 HydrophobicContact CZ2-CG 4.24Å; W491-L529 PolarHBondContact NE1-O 3.09Å; L495-L529 HydrophobicContact CD1-CD2 4.4Å; L495-L529 HydrophobicContact CD2-CD2 3.68Å; L500-L529 HydrophobicContact CD1-CD2 3.82Å; L500-L529 HydrophobicContact CD1-CG 4.13Å; L502-L529 HydrophobicContact CD2-CD1 4.42Å; L505-L529 HydrophobicContact CB-CD1 4.02Å; L505-L529 HydrophobicContact CD1-CD1 4.16Å; V506-L529 HydrophobicContact CG2-CD1 3.88Å; V515-L529 HydrophobicContact CG1-CB 3.94Å; V515-L529 HydrophobicContact CG1-CD1 4.25Å; Y516-L529 HydrophobicContact CE2-CB 3.88Å; Y516-L529 PolarHBondContact OH-N 3.3Å; Y516-L529 VanDerWaalsContact OH-N 3.12Å; E527-L529 PolarHBondContact O-N 2.88Å; L529-R531 PolarHBondContact O-N 3.15Å; L529-F585 WeakPolarHBondContact O-CD2 3.36Å; L529-F585 WeakPolarHBondContact O-CE2 3.35Å
530	N	95.1	Very high	93.2	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	28%	0.282	C	S	.	.	S	Bend	trans	-82	55.2	-178.8	-173.7	25.6	0	0	0	112	Y516 K522 P523 P524 V525 G526 E527 F585	Y516-N530 HydrophobicContact CE2-CB 4.05Å; K522-N530 VanDerWaalsContact CE-ND2 3.31Å; K522-N530 WeakPolarHBondContact CE-ND2 3.22Å; P523-N530 HydrophobicContact CG-CB 4.09Å; P523-N530 PolarHBondContact O-ND2 2.95Å; P524-N530 PolarHBondContact O-ND2 3.35Å; V525-N530 WeakPolarHBondContact CA-O 3.39Å; G526-N530 PolarHBondContact N-O 2.82Å; E527-N530 PolarHBondContact O-N 3.11Å; N530-F585 PolarHBondContact OD1-N 2.92Å; N530-F585 PolarHBondContact OD1-O 2.85Å
531	R	95.1	Very high	93.3	Very high	48 Å²	48	57.6 Å²	57.6	18%	0.181	29%	0.286	C	S	.	.	S	Bend	trans	-148.2	164	-172	63.8	-172.1	-67.1	-73.8	-2.5	111.5	F492 P494 E528 L529 A533 D583 F585	F492-R531 VanDerWaalsContact O-CZ 3.31Å; F492-R531 PolarHBondContact O-NH1 2.82Å; F492-R531 PolarHBondContact O-NH2 2.9Å; P494-R531 PolarHBondContact O-NH2 2.91Å; E528-R531 WeakPolarHBondContact O-CD 3.26Å; E528-R531 WeakPolarHBondContact O-CG 3.48Å; L529-R531 PolarHBondContact O-N 3.15Å; R531-A533 PolarHBondContact O-N 3.42Å; R531-D583 CarbonylContact C-O 3.56Å; R531-F585 WeakPolarHBondContact O-CE2 3.34Å
532	R	96.5	Very high	92.6	Very high	100 Å²	100	53.2 Å²	53.2	38%	0.377	26%	0.26	S	S	.	.			trans	-51.1	128	-170.1	-172.2	-179.4	173.3	-115.3	-12.9	113.6	F492 E581 V582 D583	F492-R532 HydrophobicContact CD2-CG 3.96Å; F492-R532 HydrophobicContact CE2-CG 4.44Å; F492-R532 PolarHBondContact N-O 3.36Å; F492-R532 VanDerWaalsContact N-O 3.09Å; R532-E581 IonicContact CZ-OE2 2.82Å; R532-E581 IonicContact NH2-OE2 3.8Å; R532-E581 PolarHBondContact NH2-OE2 2.87Å; R532-V582 CarbonylContact C-O 3.58Å; R532-V582 WeakPolarHBondContact CA-O 3.38Å; R532-V582 WeakPolarHBondContact CG-O 3.26Å; R532-D583 WeakPolarHBondContact CA-O 3.34Å; R532-D583 WeakPolarHBondContact CD-OD1 3.42Å; R532-D583 WeakPolarHBondContact CG-OD1 3.31Å; R532-D583 PolarHBondContact N-O 3.32Å; R532-D583 IonicContact NE-OD1 2.77Å; R532-D583 PolarHBondContact NE-OD1 3.32Å
533	A	97.5	Very high	91.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163.4	-176.6	0	0	0	0	0	112.3	V489 M490 W491 F492 R531 E581 V582 F585	V489-A533 HydrophobicContact CG1-CB 3.9Å; M490-A533 CarbonylContact O-C 3.57Å; M490-A533 VanDerWaalsContact O-CA 3.22Å; M490-A533 WeakPolarHBondContact O-CA 2.99Å; M490-A533 WeakPolarHBondContact O-CB 2.92Å; W491-A533 HydrophobicContact CG-CB 4.19Å; F492-A533 VanDerWaalsContact CE2-C 3.49Å; R531-A533 PolarHBondContact O-N 3.42Å; A533-E581 WeakPolarHBondContact O-CA 3.3Å; A533-V582 HydrophobicContact CB-CG2 4.48Å; A533-V582 PolarHBondContact N-O 2.98Å; A533-V582 PolarHBondContact O-N 2.76Å; A533-F585 HydrophobicContact CB-CE2 3.6Å; A533-F585 HydrophobicContact CB-CZ 3.56Å
534	R	97.7	Very high	89.9	Confident	84 Å²	84	53.7 Å²	53.7	32%	0.317	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.2	164.1	179.8	175.1	-71.4	-179.3	-1.7	108.8	V489 M490 F492 T579 F580 E581	V489-R534 CarbonylContact C-O 3.55Å; V489-R534 WeakPolarHBondContact CA-O 3.34Å; M490-R534 HydrophobicContact CE-CB 4.13Å; M490-R534 PolarHBondContact N-O 2.88Å; M490-R534 PolarHBondContact O-N 2.86Å; F492-R534 HydrophobicContact CE2-CB 4Å; F492-R534 HydrophobicContact CZ-CB 3.93Å; R534-T579 HydrophobicContact CG-CG2 3.8Å; R534-F580 CarbonylContact C-O 3.53Å; R534-F580 WeakPolarHBondContact CA-O 3.47Å; R534-E581 HydrophobicContact CB-CG 4.13Å; R534-E581 HydrophobicContact CG-CG 4.32Å; R534-E581 IonicContact CZ-OE1 3.49Å; R534-E581 IonicContact NE-OE1 3.94Å; R534-E581 PolarHBondContact NE-OE1 3.26Å; R534-E581 IonicContact NH2-OE1 3.31Å; R534-E581 PolarHBondContact NH2-OE1 3.48Å
535	I	97.4	Very high	88.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.3	175.4	-61.9	169.4	0	0	0	107.9	V489 V513 L537 T579 F580 V582 F585 Y588	V489-I535 HydrophobicContact CG1-CG1 4.4Å; V489-I535 HydrophobicContact CG2-CG1 4.11Å; V513-I535 HydrophobicContact CG1-CD1 3.88Å; V513-I535 HydrophobicContact CG1-CG1 4.32Å; V513-I535 HydrophobicContact CG1-CG2 3.71Å; I535-L537 HydrophobicContact CG2-CD2 4.15Å; I535-L537 HydrophobicContact CG2-CG 3.95Å; I535-T579 WeakPolarHBondContact O-CA 3.46Å; I535-F580 HydrophobicContact CB-CD1 4.49Å; I535-F580 HydrophobicContact CB-CD2 4.17Å; I535-F580 HydrophobicContact CB-CE1 4.18Å; I535-F580 HydrophobicContact CB-CE2 3.87Å; I535-F580 HydrophobicContact CB-CG 4.49Å; I535-F580 HydrophobicContact CB-CZ 3.86Å; I535-F580 HydrophobicContact CD1-CD2 4.26Å; I535-F580 HydrophobicContact CD1-CE2 3.54Å; I535-F580 HydrophobicContact CD1-CZ 4.03Å; I535-F580 HydrophobicContact CG1-CE2 4.25Å; I535-F580 HydrophobicContact CG2-CE1 3.81Å; I535-F580 HydrophobicContact CG2-CE2 4.08Å; I535-F580 HydrophobicContact CG2-CZ 3.56Å; I535-F580 PolarHBondContact N-O 3.36Å; I535-F580 PolarHBondContact O-N 2.97Å; I535-V582 HydrophobicContact CD1-CB 4.49Å; I535-V582 HydrophobicContact CD1-CG1 3.91Å; I535-V582 HydrophobicContact CD1-CG2 3.69Å; I535-V582 HydrophobicContact CG1-CG2 4.28Å; I535-F585 HydrophobicContact CD1-CE1 3.93Å; I535-F585 HydrophobicContact CD1-CZ 4.43Å; I535-F585 HydrophobicContact CG1-CE1 4.36Å; I535-Y588 HydrophobicContact CD1-CD2 3.6Å; I535-Y588 HydrophobicContact CD1-CE2 4.34Å; I535-Y588 HydrophobicContact CD1-CG 4.13Å
536	V	97.4	Very high	86.6	Confident	33 Å²	33	58.3 Å²	58.3	20%	0.2	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.4	172.8	-177.6	0	0	0	0	106.9	G487 S488 I577 W578 T579	G487-V536 CarbonylContact C-O 3.37Å; G487-V536 WeakPolarHBondContact CA-O 3.37Å; S488-V536 PolarHBondContact N-O 3.48Å; S488-V536 PolarHBondContact O-N 2.94Å; V536-I577 HydrophobicContact CG1-CG2 3.58Å; V536-W578 WeakPolarHBondContact CA-O 3.23Å; V536-T579 HydrophobicContact CG2-CG2 4.13Å
537	L	96.4	Very high	84.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.4	175.3	-64.7	177.4	0	0	0	109.6	V513 I535 V540 I577 W578 F580	V513-L537 HydrophobicContact CB-CD2 4.28Å; V513-L537 HydrophobicContact CG1-CD2 4.41Å; I535-L537 HydrophobicContact CG2-CD2 4.15Å; I535-L537 HydrophobicContact CG2-CG 3.95Å; L537-V540 HydrophobicContact CB-CG2 3.61Å; L537-I577 WeakPolarHBondContact O-CA 3.35Å; L537-W578 HydrophobicContact CD1-CE3 3.85Å; L537-W578 HydrophobicContact CD1-CZ3 4.05Å; L537-W578 PolarHBondContact N-O 2.9Å; L537-W578 PolarHBondContact O-N 2.91Å; L537-F580 HydrophobicContact CD1-CE1 3.9Å; L537-F580 HydrophobicContact CD1-CZ 4.15Å; L537-F580 HydrophobicContact CG-CE1 4.26Å
538	E	94.4	Very high	82.9	Confident	57 Å²	57	62.7 Å²	62.7	27%	0.266	30%	0.301	S	S	.	.	S	Bend	trans	-95.6	160.3	178.5	-62.3	-167.6	149.4	0	0	111.7	N485 Y486 V540 G576 I577	N485-E538 WeakPolarHBondContact CA-OE2 2.93Å; N485-E538 PolarHBondContact N-OE2 2.96Å; Y486-E538 PolarHBondContact O-N 3.06Å; E538-V540 PolarHBondContact O-N 3.02Å; E538-G576 CarbonylContact C-O 3.47Å; E538-I577 HydrophobicContact CG-CG1 4.47Å
539	R	89.4	Confident	80.7	Confident	118 Å²	118	64.5 Å²	64.5	45%	0.445	31%	0.31	S	S	.	.	S	Bend	trans	59.5	23.6	177.8	-53.2	-179.2	174.4	-160.1	-1	114.1	N485 H510 W541 G576	N485-R539 WeakPolarHBondContact O-CD 3.4Å; N485-R539 PolarHBondContact OD1-NH2 3.49Å; H510-R539 PolarHBondContact CE1-O 2.88Å; R539-W541 VanDerWaalsContact CA-CZ3 3.45Å; R539-W541 HydrophobicContact CB-CE3 4.08Å; R539-W541 HydrophobicContact CB-CH2 4.25Å; R539-W541 HydrophobicContact CB-CZ3 3.57Å; R539-W541 HydrophobicContact CG-CH2 4.16Å; R539-W541 HydrophobicContact CG-CZ3 3.86Å; R539-W541 PolarHBondContact O-N 2.91Å; R539-G576 PolarHBondContact N-O 3.35Å
540	V	89.7	Confident	78.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.348	C	S	.	.			trans	-83.6	90.4	175	-173.6	0	0	0	0	108.3	K511 L537 E538 F553 L557 Y571 G576 W578 L590	K511-V540 HydrophobicContact CB-CG2 4.17Å; K511-V540 HydrophobicContact CG-CG2 4.22Å; L537-V540 HydrophobicContact CB-CG2 3.61Å; E538-V540 PolarHBondContact O-N 3.02Å; V540-F553 HydrophobicContact CG1-CE1 4.03Å; V540-F553 HydrophobicContact CG1-CZ 3.97Å; V540-L557 HydrophobicContact CG1-CD2 4.16Å; V540-Y571 WeakPolarHBondContact O-CE2 3.4Å; V540-Y571 PolarHBondContact O-OH 2.89Å; V540-G576 PolarHBondContact N-O 2.88Å; V540-G576 WeakPolarHBondContact O-CA 3.13Å; V540-W578 HydrophobicContact CB-CB 4.15Å; V540-W578 HydrophobicContact CG1-CB 4.17Å; V540-W578 HydrophobicContact CG1-CE3 3.97Å; V540-W578 HydrophobicContact CG2-CB 4.21Å; V540-W578 HydrophobicContact CG2-CE3 4.35Å; V540-L590 HydrophobicContact CG1-CD2 4.25Å
541	W	84.6	Confident	76.6	Confident	109 Å²	109	75.4 Å²	75.4	41%	0.413	37%	0.374	S	S	.	.			trans	-113.2	155.6	175.2	-72.1	-70.7	0	0	0	112.1	R539 I543 F553 S573 R575	R539-W541 VanDerWaalsContact CA-CZ3 3.45Å; R539-W541 HydrophobicContact CB-CE3 4.08Å; R539-W541 HydrophobicContact CB-CH2 4.25Å; R539-W541 HydrophobicContact CB-CZ3 3.57Å; R539-W541 HydrophobicContact CG-CH2 4.16Å; R539-W541 HydrophobicContact CG-CZ3 3.86Å; R539-W541 PolarHBondContact O-N 2.91Å; W541-I543 PolarHBondContact O-N 3.4Å; W541-F553 VanDerWaalsContact C-CZ 3.49Å; W541-S573 PolarHBondContact NE1-O 3.16Å; W541-R575 VanDerWaalsContact CZ2-C 3.5Å; W541-R575 WeakPolarHBondContact CZ2-O 3.45Å
542	P	73.5	Confident	74.9	Confident	41 Å²	41	78 Å²	78	27%	0.266	40%	0.395	S	S	.	.			trans	-62	119	166	24.9	-31	0	0	0	109.8	D544 F553	P542-D544 VanDerWaalsContact C-N 3.34Å; P542-D544 PolarHBondContact O-N 2.84Å; P542-F553 HydrophobicContact CB-CB 4.04Å; P542-F553 HydrophobicContact CB-CD1 4.45Å; P542-F553 HydrophobicContact CB-CD2 3.58Å; P542-F553 HydrophobicContact CB-CE2 4.05Å; P542-F553 HydrophobicContact CB-CG 3.79Å; P542-F553 HydrophobicContact CG-CB 4.11Å; P542-F553 HydrophobicContact CG-CD1 4.36Å; P542-F553 HydrophobicContact CG-CD2 4.32Å; P542-F553 HydrophobicContact CG-CG 4.04Å
543	I	64.6	Low	74	Confident	99 Å²	99	74 Å²	74	51%	0.508	38%	0.38	S	S	.	.			trans	-88.5	80.1	168.7	-53.3	-179.9	0	0	0	107.7	K511 W541 K545	K511-I543 VanDerWaalsContact NZ-CD1 3.33Å; W541-I543 PolarHBondContact O-N 3.4Å; I543-K545 HydrophobicContact CG2-CG 4.01Å; I543-K545 PolarHBondContact O-N 3.41Å
544	D	61.1	Low	73.3	Confident	16 Å²	16	78.5 Å²	78.5	9%	0.086	40%	0.397	C	S	.	.			trans	-70.7	112.4	162.1	174.4	-3.6	0	0	0	108.2	P542 S546 T547 L548 E549	P542-D544 VanDerWaalsContact C-N 3.34Å; P542-D544 PolarHBondContact O-N 2.84Å; D544-S546 VanDerWaalsContact C-N 3.29Å; D544-S546 PolarHBondContact O-N 2.91Å; D544-S546 PolarHBondContact OD1-N 2.8Å; D544-S546 PolarHBondContact OD1-OG 2.85Å; D544-T547 VanDerWaalsContact CG-OG1 3.25Å; D544-T547 PolarHBondContact OD1-N 2.86Å; D544-T547 PolarHBondContact OD1-OG1 3.02Å; D544-T547 VanDerWaalsContact OD2-C 3.28Å; D544-T547 WeakPolarHBondContact OD2-CA 3.39Å; D544-T547 WeakPolarHBondContact OD2-CB 3.33Å; D544-T547 PolarHBondContact OD2-N 2.9Å; D544-T547 PolarHBondContact OD2-OG1 3.41Å; D544-L548 WeakPolarHBondContact O-CD2 3.26Å; D544-L548 PolarHBondContact OD2-N 3.19Å; D544-E549 PolarHBondContact OD2-N 2.84Å
545	K	62.8	Low	72.5	Confident	164 Å²	164	79 Å²	79	71%	0.713	41%	0.406	S	S	*	.	S	Bend	trans	-82.2	-5	-173.6	-62.7	173.4	-175.7	169.3	0	113.2	I543	I543-K545 HydrophobicContact CG2-CG 4.01Å; I543-K545 PolarHBondContact O-N 3.41Å
546	S	54.5	Low	71.8	Confident	108 Å²	108	82.5 Å²	82.5	76%	0.755	42%	0.42	S	S	*	.	S	Bend	trans	-127.1	-43.8	-168.5	33.4	0	0	0	0	114.3	D544	D544-S546 VanDerWaalsContact C-N 3.29Å; D544-S546 PolarHBondContact O-N 2.91Å; D544-S546 PolarHBondContact OD1-N 2.8Å; D544-S546 PolarHBondContact OD1-OG 2.85Å
547	T	55	Low	71.4	Confident	89 Å²	89	80.9 Å²	80.9	55%	0.546	41%	0.41	S	S	.	.	S	Bend	trans	-118.1	-19.4	-169.7	22	0	0	0	0	113.5	D544 E549	D544-T547 VanDerWaalsContact CG-OG1 3.25Å; D544-T547 PolarHBondContact OD1-N 2.86Å; D544-T547 PolarHBondContact OD1-OG1 3.02Å; D544-T547 VanDerWaalsContact OD2-C 3.28Å; D544-T547 WeakPolarHBondContact OD2-CA 3.39Å; D544-T547 WeakPolarHBondContact OD2-CB 3.33Å; D544-T547 PolarHBondContact OD2-N 2.9Å; D544-T547 PolarHBondContact OD2-OG1 3.41Å; T547-E549 PolarHBondContact O-N 3.29Å
548	L	50.7	Low	71	Confident	156 Å²	156	84.5 Å²	84.5	82%	0.817	43%	0.427	S	S	*	.			trans	54.5	25.7	-173	-65	167.1	0	0	0	114	D544	D544-L548 WeakPolarHBondContact O-CD2 3.26Å; D544-L548 PolarHBondContact OD2-N 3.19Å
549	E	47.1	Very low	70.7	Confident	132 Å²	132	87.6 Å²	87.6	62%	0.617	44%	0.44	S	S	*	.			trans	-98	153.2	-176.8	-68.6	-159.1	162.5	0	0	113.3	D544 T547 I551	D544-E549 PolarHBondContact OD2-N 2.84Å; T547-E549 PolarHBondContact O-N 3.29Å; E549-I551 VanDerWaalsContact C-N 3.32Å; E549-I551 PolarHBondContact O-N 3.32Å
550	P	45.3	Very low	70.6	Confident	122 Å²	122	82.1 Å²	82.1	79%	0.792	42%	0.419	S	S	*	.			trans	-72.9	74.5	-178.4	-18.7	34.7	0	0	0	114.5
551	I	58.3	Low	70.7	Confident	108 Å²	108	82.2 Å²	82.2	55%	0.554	42%	0.42	S	S	*	.			trans	-61.4	156.7	165.1	-57.4	170.5	0	0	0	109.2	E549 F553	E549-I551 VanDerWaalsContact C-N 3.32Å; E549-I551 PolarHBondContact O-N 3.32Å; I551-F553 PolarHBondContact O-N 2.9Å
552	T	60.3	Low	71	Confident	101 Å²	101	80.5 Å²	80.5	62%	0.62	43%	0.429	S	S	*	.			trans	-62.3	62.4	-170.2	42.8	0	0	0	0	115.9	R554 N555 R556	T552-R554 PolarHBondContact O-N 2.73Å; T552-N555 PolarHBondContact O-N 2.95Å; T552-R556 PolarHBondContact O-N 3.29Å
553	F	77.3	Confident	71.8	Confident	17 Å²	17	85.3 Å²	85.3	8%	0.075	44%	0.442	C	S	.	.	H	α-helix	trans	-67.4	-30.9	-171.2	-168.9	-117	0	0	0	113.8	V540 W541 P542 I551 N555 R556 L557 Y571 L590	V540-F553 HydrophobicContact CG1-CE1 4.03Å; V540-F553 HydrophobicContact CG1-CZ 3.97Å; W541-F553 VanDerWaalsContact C-CZ 3.49Å; P542-F553 HydrophobicContact CB-CB 4.04Å; P542-F553 HydrophobicContact CB-CD1 4.45Å; P542-F553 HydrophobicContact CB-CD2 3.58Å; P542-F553 HydrophobicContact CB-CE2 4.05Å; P542-F553 HydrophobicContact CB-CG 3.79Å; P542-F553 HydrophobicContact CG-CB 4.11Å; P542-F553 HydrophobicContact CG-CD1 4.36Å; P542-F553 HydrophobicContact CG-CD2 4.32Å; P542-F553 HydrophobicContact CG-CG 4.04Å; I551-F553 PolarHBondContact O-N 2.9Å; F553-N555 VanDerWaalsContact C-N 3.32Å; F553-N555 PolarHBondContact O-N 3Å; F553-R556 WeakPolarHBondContact O-CB 3.11Å; F553-R556 PolarHBondContact O-N 3.1Å; F553-R556 VanDerWaalsContact O-N 3.09Å; F553-L557 HydrophobicContact CD1-CD1 3.82Å; F553-L557 HydrophobicContact CD1-CG 4.02Å; F553-L557 HydrophobicContact CE1-CD1 3.65Å; F553-L557 HydrophobicContact CE1-CD2 3.93Å; F553-L557 HydrophobicContact CE1-CG 3.87Å; F553-L557 HydrophobicContact CE2-CD2 4.4Å; F553-L557 HydrophobicContact CZ-CD1 4.43Å; F553-L557 HydrophobicContact CZ-CD2 3.86Å; F553-L557 HydrophobicContact CZ-CG 4.23Å; F553-L557 WeakPolarHBondContact O-CG 3.3Å; F553-L557 PolarHBondContact O-N 3.36Å; F553-Y571 HydrophobicContact CD1-CD1 4.34Å; F553-Y571 AromaticContact CD1-CE1 3.62Å; F553-Y571 HydrophobicContact CD1-CE1 3.62Å; F553-Y571 HydrophobicContact CD1-CE2 4.08Å; F553-Y571 AromaticContact CD1-CZ 3.47Å; F553-Y571 VanDerWaalsContact CD1-CZ 3.47Å; F553-Y571 HydrophobicContact CE1-CE1 4.31Å; F553-Y571 AromaticContact CE1-CE2 3.93Å; F553-Y571 HydrophobicContact CE1-CE2 3.93Å; F553-Y571 AromaticContact CE1-CZ 3.71Å; F553-L590 HydrophobicContact CE2-CD2 4.03Å; F553-L590 HydrophobicContact CZ-CD2 3.82Å
554	R	82.3	Confident	72.9	Confident	94 Å²	94	82.2 Å²	82.2	36%	0.355	43%	0.426	S	S	.	.	H	α-helix	trans	-57.6	-45.8	175.1	-166.6	-175.6	-174.2	103.6	-6.8	111.3	T552 R556 L557 E558 F568 D570	T552-R554 PolarHBondContact O-N 2.73Å; R554-R556 VanDerWaalsContact C-N 3.27Å; R554-R556 PolarHBondContact O-N 3.12Å; R554-L557 PolarHBondContact O-N 2.64Å; R554-L557 VanDerWaalsContact O-N 3.13Å; R554-E558 WeakPolarHBondContact CD-OE1 3.15Å; R554-E558 WeakPolarHBondContact CG-OE1 3.49Å; R554-E558 IonicContact NE-OE1 2.78Å; R554-E558 PolarHBondContact NE-OE1 3.11Å; R554-E558 WeakPolarHBondContact O-CB 3.37Å; R554-E558 WeakPolarHBondContact O-CG 3.4Å; R554-E558 PolarHBondContact O-N 2.9Å; R554-F568 HydrophobicContact CG-CE1 4.31Å; R554-F568 HydrophobicContact CG-CZ 3.87Å; R554-D570 IonicContact CZ-OD1 2.9Å; R554-D570 VanDerWaalsContact CZ-OD1 3.22Å; R554-D570 IonicContact NH1-OD1 3.45Å; R554-D570 PolarHBondContact NH1-OD1 3.19Å; R554-D570 IonicContact NH2-OD1 2.72Å; R554-D570 PolarHBondContact NH2-OD1 3.4Å
555	N	81.3	Confident	74.3	Confident	95 Å²	95	89.3 Å²	89.3	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-62.4	-34.9	177.6	-58.1	21.7	0	0	0	111.6	T552 F553 K559	T552-N555 PolarHBondContact O-N 2.95Å; F553-N555 VanDerWaalsContact C-N 3.32Å; F553-N555 PolarHBondContact O-N 3Å; N555-K559 WeakPolarHBondContact O-CB 3.19Å; N555-K559 PolarHBondContact O-N 2.72Å
556	R	82.8	Confident	75.8	Confident	73 Å²	73	82 Å²	82	28%	0.275	43%	0.428	S	S	.	.	H	α-helix	trans	-69	-40.3	174.4	-172.4	172.8	178.3	-177.7	-5.7	111.9	T552 F553 R554 K559 A560 E594	T552-R556 PolarHBondContact O-N 3.29Å; F553-R556 WeakPolarHBondContact O-CB 3.11Å; F553-R556 PolarHBondContact O-N 3.1Å; F553-R556 VanDerWaalsContact O-N 3.09Å; R554-R556 VanDerWaalsContact C-N 3.27Å; R554-R556 PolarHBondContact O-N 3.12Å; R556-K559 PolarHBondContact O-N 3.18Å; R556-A560 VanDerWaalsContact O-CB 3.29Å; R556-A560 WeakPolarHBondContact O-CB 3.47Å; R556-A560 PolarHBondContact O-N 2.97Å; R556-E594 PolarHBondContact NH2-O 3.25Å
557	L	88.8	Confident	77.7	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-68.3	-36.1	174.2	-64.1	-178.9	0	0	0	112.3	V540 F553 R554 A560 C561 F568 Y571 W578 L590	V540-L557 HydrophobicContact CG1-CD2 4.16Å; F553-L557 HydrophobicContact CD1-CD1 3.82Å; F553-L557 HydrophobicContact CD1-CG 4.02Å; F553-L557 HydrophobicContact CE1-CD1 3.65Å; F553-L557 HydrophobicContact CE1-CD2 3.93Å; F553-L557 HydrophobicContact CE1-CG 3.87Å; F553-L557 HydrophobicContact CE2-CD2 4.4Å; F553-L557 HydrophobicContact CZ-CD1 4.43Å; F553-L557 HydrophobicContact CZ-CD2 3.86Å; F553-L557 HydrophobicContact CZ-CG 4.23Å; F553-L557 WeakPolarHBondContact O-CG 3.3Å; F553-L557 PolarHBondContact O-N 3.36Å; R554-L557 PolarHBondContact O-N 2.64Å; R554-L557 VanDerWaalsContact O-N 3.13Å; L557-A560 PolarHBondContact O-N 3.35Å; L557-C561 WeakPolarHBondContact O-CB 3.25Å; L557-C561 PolarHBondContact O-N 2.88Å; L557-C561 PolarHBondContact O-SG 3.31Å; L557-F568 HydrophobicContact CB-CD2 4.24Å; L557-F568 HydrophobicContact CB-CE2 3.77Å; L557-Y571 HydrophobicContact CD1-CD1 4.12Å; L557-Y571 HydrophobicContact CD1-CD2 3.35Å; L557-Y571 HydrophobicContact CD1-CE2 3.87Å; L557-Y571 HydrophobicContact CD1-CG 3.5Å; L557-Y571 VanDerWaalsContact CD1-CG 3.5Å; L557-W578 HydrophobicContact CB-CZ2 4.44Å; L557-W578 HydrophobicContact CD1-CB 4.16Å; L557-W578 HydrophobicContact CD1-CD2 4.31Å; L557-W578 HydrophobicContact CD1-CG 3.87Å; L557-W578 HydrophobicContact CD2-CD2 3.82Å; L557-W578 HydrophobicContact CD2-CE3 4.04Å; L557-W578 HydrophobicContact CD2-CG 4.28Å; L557-W578 HydrophobicContact CD2-CH2 4.26Å; L557-W578 HydrophobicContact CD2-CZ2 4.07Å; L557-W578 HydrophobicContact CD2-CZ3 4.27Å; L557-W578 HydrophobicContact CG-CD2 4.49Å; L557-L590 HydrophobicContact CD2-CD1 4.04Å; L557-L590 HydrophobicContact CD2-CD2 4.26Å
558	E	87.8	Confident	79.5	Confident	76 Å²	76	80.1 Å²	80.1	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-66.5	-44.2	173.7	-75.1	172.6	-166	0	0	111.3	R554 C561 A562 F568	R554-E558 WeakPolarHBondContact CD-OE1 3.15Å; R554-E558 WeakPolarHBondContact CG-OE1 3.49Å; R554-E558 IonicContact NE-OE1 2.78Å; R554-E558 PolarHBondContact NE-OE1 3.11Å; R554-E558 WeakPolarHBondContact O-CB 3.37Å; R554-E558 WeakPolarHBondContact O-CG 3.4Å; R554-E558 PolarHBondContact O-N 2.9Å; E558-C561 PolarHBondContact O-N 3.35Å; E558-A562 PolarHBondContact O-N 3.08Å; E558-F568 HydrophobicContact CB-CG 4.49Å; E558-F568 HydrophobicContact CG-CB 4.04Å; E558-F568 HydrophobicContact CG-CD1 3.47Å; E558-F568 VanDerWaalsContact CG-CD1 3.47Å; E558-F568 HydrophobicContact CG-CD2 3.77Å; E558-F568 HydrophobicContact CG-CE1 3.76Å; E558-F568 HydrophobicContact CG-CE2 4.05Å; E558-F568 HydrophobicContact CG-CG 3.48Å; E558-F568 VanDerWaalsContact CG-CG 3.48Å; E558-F568 HydrophobicContact CG-CZ 4.04Å; E558-F568 VanDerWaalsContact OE1-CE1 3.29Å; E558-F568 WeakPolarHBondContact OE1-CE1 3.27Å
559	K	87.8	Confident	81.6	Confident	122 Å²	122	75 Å²	75	53%	0.53	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-45.8	169.6	-81.6	-167.6	172.1	-164.5	0	112.1	N555 R556 A562 R563	N555-K559 WeakPolarHBondContact O-CB 3.19Å; N555-K559 PolarHBondContact O-N 2.72Å; R556-K559 PolarHBondContact O-N 3.18Å; K559-A562 PolarHBondContact O-N 3.34Å; K559-R563 WeakPolarHBondContact O-CB 3.41Å; K559-R563 PolarHBondContact O-N 3.08Å
560	A	88.3	Confident	83.8	Confident	3 Å²	3	72.3 Å²	72.3	3%	0.025	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-40.8	179.1	0	0	0	0	0	112.2	R556 L557 R563 M564 W578 L590	R556-A560 VanDerWaalsContact O-CB 3.29Å; R556-A560 WeakPolarHBondContact O-CB 3.47Å; R556-A560 PolarHBondContact O-N 2.97Å; L557-A560 PolarHBondContact O-N 3.35Å; A560-R563 PolarHBondContact O-N 2.88Å; A560-M564 WeakPolarHBondContact O-CG 3.48Å; A560-M564 PolarHBondContact O-N 3.3Å; A560-M564 VanDerWaalsContact O-N 3.13Å; A560-W578 HydrophobicContact CB-CH2 4.38Å; A560-W578 HydrophobicContact CB-CZ2 4.39Å; A560-L590 HydrophobicContact CB-CD1 4.15Å
561	C	91.1	Very high	86	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-50	171.6	-82.8	0	0	0	0	111.3	L557 E558 R563 M564 E565 A566 F568 W578	L557-C561 WeakPolarHBondContact O-CB 3.25Å; L557-C561 PolarHBondContact O-N 2.88Å; L557-C561 PolarHBondContact O-SG 3.31Å; E558-C561 PolarHBondContact O-N 3.35Å; C561-R563 VanDerWaalsContact C-N 3.33Å; C561-R563 PolarHBondContact O-N 2.81Å; C561-M564 CarbonylContact O-C 3.52Å; C561-M564 PolarHBondContact O-N 2.87Å; C561-E565 PolarHBondContact O-N 2.89Å; C561-A566 CarbonylContact C-O 3.4Å; C561-A566 VanDerWaalsContact C-O 3.31Å; C561-A566 HydrophobicContact CB-CB 4.22Å; C561-A566 WeakPolarHBondContact CB-O 3.47Å; C561-A566 PolarHBondContact O-N 2.92Å; C561-F568 HydrophobicContact CB-CB 3.87Å; C561-W578 VanDerWaalsContact SG-CZ2 3.6Å; C561-W578 PolarHBondContact SG-NE1 3.44Å
562	A	90.4	Very high	87.5	Confident	74 Å²	74	64.7 Å²	64.7	61%	0.612	32%	0.317	S	S	*	.	H	α-helix	trans	-58.6	-42.2	177.8	0	0	0	0	0	112.6	E558 K559 M564 E565	E558-A562 PolarHBondContact O-N 3.08Å; K559-A562 PolarHBondContact O-N 3.34Å; A562-M564 PolarHBondContact O-N 2.92Å; A562-E565 PolarHBondContact O-N 3.37Å
563	R	89.6	Confident	88.7	Confident	142 Å²	142	63 Å²	63	54%	0.536	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-20.4	175.7	-179.6	158.3	60.8	78.1	-0.3	113.8	K559 A560 C561 E594	K559-R563 WeakPolarHBondContact O-CB 3.41Å; K559-R563 PolarHBondContact O-N 3.08Å; A560-R563 PolarHBondContact O-N 2.88Å; C561-R563 VanDerWaalsContact C-N 3.33Å; C561-R563 PolarHBondContact O-N 2.81Å; R563-E594 IonicContact CZ-OE1 2.77Å; R563-E594 IonicContact CZ-OE2 2.79Å; R563-E594 IonicContact NE-OE1 3.16Å; R563-E594 PolarHBondContact NE-OE1 3Å; R563-E594 IonicContact NE-OE2 3.15Å; R563-E594 IonicContact NH2-OE1 2.67Å; R563-E594 PolarHBondContact NH2-OE1 2.61Å; R563-E594 IonicContact NH2-OE2 2.79Å; R563-E594 PolarHBondContact NH2-OE2 2.78Å
564	M	89.3	Confident	89.1	Confident	34 Å²	34	66.8 Å²	66.8	17%	0.167	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.9	176.8	-66.7	-172.1	-61.1	0	0	113.7	A560 C561 A562 A566 W578 Y588	A560-M564 WeakPolarHBondContact O-CG 3.48Å; A560-M564 PolarHBondContact O-N 3.3Å; A560-M564 VanDerWaalsContact O-N 3.13Å; C561-M564 CarbonylContact O-C 3.52Å; C561-M564 PolarHBondContact O-N 2.87Å; A562-M564 PolarHBondContact O-N 2.92Å; M564-A566 HydrophobicContact CB-CB 4.32Å; M564-A566 PolarHBondContact O-N 3.16Å; M564-A566 VanDerWaalsContact O-N 3.13Å; M564-W578 HydrophobicContact CE-CH2 3.65Å; M564-W578 HydrophobicContact CE-CZ2 4Å; M564-Y588 HydrophobicContact CB-CD1 3.99Å; M564-Y588 HydrophobicContact CB-CE1 4.14Å; M564-Y588 HydrophobicContact CG-CD1 4.45Å; M564-Y588 WeakPolarHBondContact O-CE1 3.23Å; M564-Y588 HydrophobicContact SD-CD1 3.96Å
565	E	89.7	Confident	89.4	Confident	165 Å²	165	69.7 Å²	69.7	77%	0.771	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	25	-170.4	-56.5	-174.5	165.9	0	0	113.4	C561 A562	C561-E565 PolarHBondContact O-N 2.89Å; A562-E565 PolarHBondContact O-N 3.37Å
566	A	93.5	Very high	89.8	Confident	9 Å²	9	65.1 Å²	65.1	7%	0.074	32%	0.324	C	S	.	.			trans	-96.7	142.3	179.6	0	0	0	0	0	111.1	C561 M564 F568 F580 V582	C561-A566 CarbonylContact C-O 3.4Å; C561-A566 VanDerWaalsContact C-O 3.31Å; C561-A566 HydrophobicContact CB-CB 4.22Å; C561-A566 WeakPolarHBondContact CB-O 3.47Å; C561-A566 PolarHBondContact O-N 2.92Å; M564-A566 HydrophobicContact CB-CB 4.32Å; M564-A566 PolarHBondContact O-N 3.16Å; M564-A566 VanDerWaalsContact O-N 3.13Å; A566-F568 PolarHBondContact O-N 3.46Å; A566-F580 HydrophobicContact CB-CD2 3.84Å; A566-F580 HydrophobicContact CB-CE2 4.43Å; A566-V582 HydrophobicContact CB-CG1 3.83Å
567	K	94.8	Very high	90.3	Very high	122 Å²	122	62.7 Å²	62.7	53%	0.53	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	107.4	172.9	175.3	-171.8	162.7	-154.1	0	109.2	F580 E581	K567-F580 CarbonylContact O-C 3.47Å; K567-F580 WeakPolarHBondContact O-CA 3.19Å; K567-F580 WeakPolarHBondContact O-CB 3.48Å; K567-E581 HydrophobicContact CB-CB 4.28Å; K567-E581 HydrophobicContact CD-CB 4.48Å; K567-E581 PolarHBondContact N-O 3.1Å; K567-E581 IonicContact NZ-OE2 3.22Å; K567-E581 PolarHBondContact NZ-OE2 2.87Å; K567-E581 PolarHBondContact O-N 2.74Å
568	F	94.1	Very high	90.5	Very high	36 Å²	36	62.7 Å²	62.7	16%	0.158	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	138.7	170.4	-176.3	-91.2	0	0	0	110.9	R554 L557 E558 C561 A566 D570 W578	R554-F568 HydrophobicContact CG-CE1 4.31Å; R554-F568 HydrophobicContact CG-CZ 3.87Å; L557-F568 HydrophobicContact CB-CD2 4.24Å; L557-F568 HydrophobicContact CB-CE2 3.77Å; E558-F568 HydrophobicContact CB-CG 4.49Å; E558-F568 HydrophobicContact CG-CB 4.04Å; E558-F568 HydrophobicContact CG-CD1 3.47Å; E558-F568 VanDerWaalsContact CG-CD1 3.47Å; E558-F568 HydrophobicContact CG-CD2 3.77Å; E558-F568 HydrophobicContact CG-CE1 3.76Å; E558-F568 HydrophobicContact CG-CE2 4.05Å; E558-F568 HydrophobicContact CG-CG 3.48Å; E558-F568 VanDerWaalsContact CG-CG 3.48Å; E558-F568 HydrophobicContact CG-CZ 4.04Å; E558-F568 VanDerWaalsContact OE1-CE1 3.29Å; E558-F568 WeakPolarHBondContact OE1-CE1 3.27Å; C561-F568 HydrophobicContact CB-CB 3.87Å; A566-F568 PolarHBondContact O-N 3.46Å; F568-D570 VanDerWaalsContact CZ-C 3.43Å; F568-W578 AromaticContact CD2-NE1 3.62Å; F568-W578 AromaticContact CE2-CD1 3.74Å; F568-W578 AromaticContact CE2-NE1 3.74Å
569	V	94.3	Very high	90.9	Very high	50 Å²	50	60.2 Å²	60.2	30%	0.303	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-59.2	177.6	175.5	0	0	0	0	110.6	T579 E581	V569-T579 HydrophobicContact CB-CG2 4.02Å; V569-T579 WeakPolarHBondContact CB-O 3.2Å; V569-T579 HydrophobicContact CG1-CG2 4.15Å; V569-T579 PolarHBondContact N-O 2.87Å; V569-E581 HydrophobicContact CG2-CB 4.38Å; V569-E581 HydrophobicContact CG2-CG 3.79Å
570	D	92.3	Very high	91.4	Very high	74 Å²	74	54.4 Å²	54.4	40%	0.396	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	166.3	177.8	-159.5	21.5	0	0	0	113.2	R554 F568 T579	R554-D570 IonicContact CZ-OD1 2.9Å; R554-D570 VanDerWaalsContact CZ-OD1 3.22Å; R554-D570 IonicContact NH1-OD1 3.45Å; R554-D570 PolarHBondContact NH1-OD1 3.19Å; R554-D570 IonicContact NH2-OD1 2.72Å; R554-D570 PolarHBondContact NH2-OD1 3.4Å; F568-D570 VanDerWaalsContact CZ-C 3.43Å; D570-T579 PolarHBondContact N-O 2.82Å; D570-T579 VanDerWaalsContact N-O 3.1Å; D570-T579 PolarHBondContact O-N 2.61Å
571	Y	92.2	Very high	91.8	Very high	18 Å²	18	54.7 Å²	54.7	7%	0.071	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	115.9	171.7	173.3	-111.5	0	0	0	111.7	V540 F553 L557 S573 I577 W578	V540-Y571 WeakPolarHBondContact O-CE2 3.4Å; V540-Y571 PolarHBondContact O-OH 2.89Å; F553-Y571 HydrophobicContact CD1-CD1 4.34Å; F553-Y571 AromaticContact CD1-CE1 3.62Å; F553-Y571 HydrophobicContact CD1-CE1 3.62Å; F553-Y571 HydrophobicContact CD1-CE2 4.08Å; F553-Y571 AromaticContact CD1-CZ 3.47Å; F553-Y571 VanDerWaalsContact CD1-CZ 3.47Å; F553-Y571 HydrophobicContact CE1-CE1 4.31Å; F553-Y571 AromaticContact CE1-CE2 3.93Å; F553-Y571 HydrophobicContact CE1-CE2 3.93Å; F553-Y571 AromaticContact CE1-CZ 3.71Å; L557-Y571 HydrophobicContact CD1-CD1 4.12Å; L557-Y571 HydrophobicContact CD1-CD2 3.35Å; L557-Y571 HydrophobicContact CD1-CE2 3.87Å; L557-Y571 HydrophobicContact CD1-CG 3.5Å; L557-Y571 VanDerWaalsContact CD1-CG 3.5Å; Y571-S573 VanDerWaalsContact CE1-CA 3.49Å; Y571-S573 WeakPolarHBondContact OH-CA 3.48Å; Y571-S573 PolarHBondContact OH-OG 3.04Å; Y571-I577 WeakPolarHBondContact CA-O 3.49Å; Y571-I577 WeakPolarHBondContact CD2-O 3.3Å; Y571-W578 HydrophobicContact CD2-CB 4.19Å
572	D	89.8	Confident	92	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.283	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	103.4	170.3	173.1	6.5	0	0	0	109.9	S574 R575 G576 I577	D572-S574 VanDerWaalsContact C-N 3.26Å; D572-S574 PolarHBondContact O-N 2.97Å; D572-S574 WeakPolarHBondContact OD1-CA 3.17Å; D572-S574 WeakPolarHBondContact OD1-CB 3.35Å; D572-S574 PolarHBondContact OD1-N 2.82Å; D572-S574 PolarHBondContact OD1-OG 2.9Å; D572-S574 PolarHBondContact OD2-OG 2.94Å; D572-R575 PolarHBondContact O-N 3.29Å; D572-R575 PolarHBondContact OD1-N 2.9Å; D572-R575 WeakPolarHBondContact OD2-CB 3.38Å; D572-R575 VanDerWaalsContact OD2-CD 3.24Å; D572-R575 WeakPolarHBondContact OD2-CD 3.32Å; D572-R575 VanDerWaalsContact OD2-CG 3.22Å; D572-R575 WeakPolarHBondContact OD2-CG 3.43Å; D572-G576 WeakPolarHBondContact O-CA 3.49Å; D572-G576 PolarHBondContact O-N 3.3Å; D572-I577 HydrophobicContact CB-CB 4.37Å; D572-I577 PolarHBondContact N-O 3.4Å; D572-I577 PolarHBondContact O-N 3.48Å
573	S	85.6	Confident	92.2	Very high	64 Å²	64	56.2 Å²	56.2	45%	0.448	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.9	179.5	-160.9	0	0	0	0	114.9	W541 Y571	W541-S573 PolarHBondContact NE1-O 3.16Å; Y571-S573 VanDerWaalsContact CE1-CA 3.49Å; Y571-S573 WeakPolarHBondContact OH-CA 3.48Å; Y571-S573 PolarHBondContact OH-OG 3.04Å
574	S	84.8	Confident	92.3	Very high	98 Å²	98	51.7 Å²	51.7	69%	0.685	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-36.8	179	74.6	0	0	0	0	111.6	D572	D572-S574 VanDerWaalsContact C-N 3.26Å; D572-S574 PolarHBondContact O-N 2.97Å; D572-S574 WeakPolarHBondContact OD1-CA 3.17Å; D572-S574 WeakPolarHBondContact OD1-CB 3.35Å; D572-S574 PolarHBondContact OD1-N 2.82Å; D572-S574 PolarHBondContact OD1-OG 2.9Å; D572-S574 PolarHBondContact OD2-OG 2.94Å
575	R	88.4	Confident	92.1	Very high	154 Å²	154	50.1 Å²	50.1	58%	0.581	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-9.7	177.6	-61.4	178.4	64.9	-166.9	-5.2	113.8	W541 D572 I577	W541-R575 VanDerWaalsContact CZ2-C 3.5Å; W541-R575 WeakPolarHBondContact CZ2-O 3.45Å; D572-R575 PolarHBondContact O-N 3.29Å; D572-R575 PolarHBondContact OD1-N 2.9Å; D572-R575 WeakPolarHBondContact OD2-CB 3.38Å; D572-R575 VanDerWaalsContact OD2-CD 3.24Å; D572-R575 WeakPolarHBondContact OD2-CD 3.32Å; D572-R575 VanDerWaalsContact OD2-CG 3.22Å; D572-R575 WeakPolarHBondContact OD2-CG 3.43Å; R575-I577 HydrophobicContact CB-CD1 3.64Å; R575-I577 HydrophobicContact CB-CG1 3.73Å; R575-I577 HydrophobicContact CG-CD1 4.43Å; R575-I577 VanDerWaalsContact CZ-CD1 3.44Å
576	G	89.8	Confident	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	39.2	-174.7	0	0	0	0	0	111.6	E538 R539 V540 D572	E538-G576 CarbonylContact C-O 3.47Å; R539-G576 PolarHBondContact N-O 3.35Å; V540-G576 PolarHBondContact N-O 2.88Å; V540-G576 WeakPolarHBondContact O-CA 3.13Å; D572-G576 WeakPolarHBondContact O-CA 3.49Å; D572-G576 PolarHBondContact O-N 3.3Å
577	I	93.5	Very high	90.6	Very high	22 Å²	22	49.8 Å²	49.8	11%	0.113	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.7	-176.5	-63.2	175.3	0	0	0	109.2	V536 L537 E538 Y571 D572 R575	V536-I577 HydrophobicContact CG1-CG2 3.58Å; L537-I577 WeakPolarHBondContact O-CA 3.35Å; E538-I577 HydrophobicContact CG-CG1 4.47Å; Y571-I577 WeakPolarHBondContact CA-O 3.49Å; Y571-I577 WeakPolarHBondContact CD2-O 3.3Å; D572-I577 HydrophobicContact CB-CB 4.37Å; D572-I577 PolarHBondContact N-O 3.4Å; D572-I577 PolarHBondContact O-N 3.48Å; R575-I577 HydrophobicContact CB-CD1 3.64Å; R575-I577 HydrophobicContact CB-CG1 3.73Å; R575-I577 HydrophobicContact CG-CD1 4.43Å; R575-I577 VanDerWaalsContact CZ-CD1 3.44Å
578	W	94.5	Very high	89.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.9	174.6	176.6	27.1	0	0	0	109.7	V536 L537 V540 L557 A560 C561 M564 F568 Y571 F580 L590	V536-W578 WeakPolarHBondContact CA-O 3.23Å; L537-W578 HydrophobicContact CD1-CE3 3.85Å; L537-W578 HydrophobicContact CD1-CZ3 4.05Å; L537-W578 PolarHBondContact N-O 2.9Å; L537-W578 PolarHBondContact O-N 2.91Å; V540-W578 HydrophobicContact CB-CB 4.15Å; V540-W578 HydrophobicContact CG1-CB 4.17Å; V540-W578 HydrophobicContact CG1-CE3 3.97Å; V540-W578 HydrophobicContact CG2-CB 4.21Å; V540-W578 HydrophobicContact CG2-CE3 4.35Å; L557-W578 HydrophobicContact CB-CZ2 4.44Å; L557-W578 HydrophobicContact CD1-CB 4.16Å; L557-W578 HydrophobicContact CD1-CD2 4.31Å; L557-W578 HydrophobicContact CD1-CG 3.87Å; L557-W578 HydrophobicContact CD2-CD2 3.82Å; L557-W578 HydrophobicContact CD2-CE3 4.04Å; L557-W578 HydrophobicContact CD2-CG 4.28Å; L557-W578 HydrophobicContact CD2-CH2 4.26Å; L557-W578 HydrophobicContact CD2-CZ2 4.07Å; L557-W578 HydrophobicContact CD2-CZ3 4.27Å; L557-W578 HydrophobicContact CG-CD2 4.49Å; A560-W578 HydrophobicContact CB-CH2 4.38Å; A560-W578 HydrophobicContact CB-CZ2 4.39Å; C561-W578 VanDerWaalsContact SG-CZ2 3.6Å; C561-W578 PolarHBondContact SG-NE1 3.44Å; M564-W578 HydrophobicContact CE-CH2 3.65Å; M564-W578 HydrophobicContact CE-CZ2 4Å; F568-W578 AromaticContact CD2-NE1 3.62Å; F568-W578 AromaticContact CE2-CD1 3.74Å; F568-W578 AromaticContact CE2-NE1 3.74Å; Y571-W578 HydrophobicContact CD2-CB 4.19Å; W578-F580 AromaticContact CD1-CD1 3.93Å; W578-F580 AromaticContact CD2-CD1 3.82Å; W578-F580 HydrophobicContact CD2-CD1 3.82Å; W578-F580 AromaticContact CD2-CE1 3.76Å; W578-F580 HydrophobicContact CD2-CE1 3.76Å; W578-F580 AromaticContact CE2-CD1 3.59Å; W578-F580 AromaticContact CE2-CE1 3.81Å; W578-F580 HydrophobicContact CE3-CD1 4.42Å; W578-F580 AromaticContact CE3-CE1 3.9Å; W578-F580 HydrophobicContact CE3-CE1 3.9Å; W578-F580 HydrophobicContact CG-CD1 4.08Å; W578-F580 HydrophobicContact CG-CE1 4.35Å; W578-F580 HydrophobicContact CH2-CE1 4.23Å; W578-F580 HydrophobicContact CZ2-CD1 4.1Å; W578-F580 HydrophobicContact CZ2-CE1 4.08Å; W578-F580 HydrophobicContact CZ3-CE1 4.12Å; W578-F580 AromaticContact NE1-CD1 3.6Å; W578-L590 HydrophobicContact CH2-CB 4.48Å; W578-L590 HydrophobicContact CH2-CD1 4.44Å; W578-L590 HydrophobicContact CZ3-CB 3.92Å
579	T	96.3	Very high	88.9	Confident	23 Å²	23	43.2 Å²	43.2	14%	0.141	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.2	179.1	-55.6	0	0	0	0	110.8	R534 I535 V536 V569 D570	R534-T579 HydrophobicContact CG-CG2 3.8Å; I535-T579 WeakPolarHBondContact O-CA 3.46Å; V536-T579 HydrophobicContact CG2-CG2 4.13Å; V569-T579 HydrophobicContact CB-CG2 4.02Å; V569-T579 WeakPolarHBondContact CB-O 3.2Å; V569-T579 HydrophobicContact CG1-CG2 4.15Å; V569-T579 PolarHBondContact N-O 2.87Å; D570-T579 PolarHBondContact N-O 2.82Å; D570-T579 VanDerWaalsContact N-O 3.1Å; D570-T579 PolarHBondContact O-N 2.61Å
580	F	96.5	Very high	87.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	163.9	176.3	57	-83.9	0	0	0	111.8	R534 I535 L537 A566 K567 W578 V582 Y588	R534-F580 CarbonylContact C-O 3.53Å; R534-F580 WeakPolarHBondContact CA-O 3.47Å; I535-F580 HydrophobicContact CB-CD1 4.49Å; I535-F580 HydrophobicContact CB-CD2 4.17Å; I535-F580 HydrophobicContact CB-CE1 4.18Å; I535-F580 HydrophobicContact CB-CE2 3.87Å; I535-F580 HydrophobicContact CB-CG 4.49Å; I535-F580 HydrophobicContact CB-CZ 3.86Å; I535-F580 HydrophobicContact CD1-CD2 4.26Å; I535-F580 HydrophobicContact CD1-CE2 3.54Å; I535-F580 HydrophobicContact CD1-CZ 4.03Å; I535-F580 HydrophobicContact CG1-CE2 4.25Å; I535-F580 HydrophobicContact CG2-CE1 3.81Å; I535-F580 HydrophobicContact CG2-CE2 4.08Å; I535-F580 HydrophobicContact CG2-CZ 3.56Å; I535-F580 PolarHBondContact N-O 3.36Å; I535-F580 PolarHBondContact O-N 2.97Å; L537-F580 HydrophobicContact CD1-CE1 3.9Å; L537-F580 HydrophobicContact CD1-CZ 4.15Å; L537-F580 HydrophobicContact CG-CE1 4.26Å; A566-F580 HydrophobicContact CB-CD2 3.84Å; A566-F580 HydrophobicContact CB-CE2 4.43Å; K567-F580 CarbonylContact O-C 3.47Å; K567-F580 WeakPolarHBondContact O-CA 3.19Å; K567-F580 WeakPolarHBondContact O-CB 3.48Å; W578-F580 AromaticContact CD1-CD1 3.93Å; W578-F580 AromaticContact CD2-CD1 3.82Å; W578-F580 HydrophobicContact CD2-CD1 3.82Å; W578-F580 AromaticContact CD2-CE1 3.76Å; W578-F580 HydrophobicContact CD2-CE1 3.76Å; W578-F580 AromaticContact CE2-CD1 3.59Å; W578-F580 AromaticContact CE2-CE1 3.81Å; W578-F580 HydrophobicContact CE3-CD1 4.42Å; W578-F580 AromaticContact CE3-CE1 3.9Å; W578-F580 HydrophobicContact CE3-CE1 3.9Å; W578-F580 HydrophobicContact CG-CD1 4.08Å; W578-F580 HydrophobicContact CG-CE1 4.35Å; W578-F580 HydrophobicContact CH2-CE1 4.23Å; W578-F580 HydrophobicContact CZ2-CD1 4.1Å; W578-F580 HydrophobicContact CZ2-CE1 4.08Å; W578-F580 HydrophobicContact CZ3-CE1 4.12Å; W578-F580 AromaticContact NE1-CD1 3.6Å; F580-V582 HydrophobicContact CD2-CG1 3.83Å; F580-V582 HydrophobicContact CE2-CG1 3.94Å; F580-Y588 HydrophobicContact CE2-CG 4.17Å
581	E	96.8	Very high	86.5	Confident	9 Å²	9	41.2 Å²	41.2	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.6	176.9	-74.1	169.2	-171.5	0	0	110	F492 R532 A533 R534 K567 V569	F492-E581 HydrophobicContact CE2-CG 4.02Å; F492-E581 HydrophobicContact CZ-CG 4.08Å; R532-E581 IonicContact CZ-OE2 2.82Å; R532-E581 IonicContact NH2-OE2 3.8Å; R532-E581 PolarHBondContact NH2-OE2 2.87Å; A533-E581 WeakPolarHBondContact O-CA 3.3Å; R534-E581 HydrophobicContact CB-CG 4.13Å; R534-E581 HydrophobicContact CG-CG 4.32Å; R534-E581 IonicContact CZ-OE1 3.49Å; R534-E581 IonicContact NE-OE1 3.94Å; R534-E581 PolarHBondContact NE-OE1 3.26Å; R534-E581 IonicContact NH2-OE1 3.31Å; R534-E581 PolarHBondContact NH2-OE1 3.48Å; K567-E581 HydrophobicContact CB-CB 4.28Å; K567-E581 HydrophobicContact CD-CB 4.48Å; K567-E581 PolarHBondContact N-O 3.1Å; K567-E581 IonicContact NZ-OE2 3.22Å; K567-E581 PolarHBondContact NZ-OE2 2.87Å; K567-E581 PolarHBondContact O-N 2.74Å; V569-E581 HydrophobicContact CG2-CB 4.38Å; V569-E581 HydrophobicContact CG2-CG 3.79Å
582	V	95.7	Very high	85.1	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.7	178.8	-61.6	0	0	0	0	109.1	R532 A533 I535 A566 F580 H584 F585 Y588	R532-V582 CarbonylContact C-O 3.58Å; R532-V582 WeakPolarHBondContact CA-O 3.38Å; R532-V582 WeakPolarHBondContact CG-O 3.26Å; A533-V582 HydrophobicContact CB-CG2 4.48Å; A533-V582 PolarHBondContact N-O 2.98Å; A533-V582 PolarHBondContact O-N 2.76Å; I535-V582 HydrophobicContact CD1-CB 4.49Å; I535-V582 HydrophobicContact CD1-CG1 3.91Å; I535-V582 HydrophobicContact CD1-CG2 3.69Å; I535-V582 HydrophobicContact CG1-CG2 4.28Å; A566-V582 HydrophobicContact CB-CG1 3.83Å; F580-V582 HydrophobicContact CD2-CG1 3.83Å; F580-V582 HydrophobicContact CE2-CG1 3.94Å; V582-H584 WeakPolarHBondContact CG2-O 3.17Å; V582-F585 HydrophobicContact CG2-CE1 4.27Å; V582-F585 HydrophobicContact CG2-CE2 4.28Å; V582-F585 HydrophobicContact CG2-CZ 4.03Å; V582-Y588 HydrophobicContact CB-CE2 3.81Å; V582-Y588 HydrophobicContact CG1-CD1 4.23Å; V582-Y588 HydrophobicContact CG1-CD2 3.96Å; V582-Y588 HydrophobicContact CG1-CE1 3.96Å; V582-Y588 HydrophobicContact CG1-CE2 3.64Å; V582-Y588 HydrophobicContact CG1-CG 4.25Å; V582-Y588 HydrophobicContact CG2-CD2 4.36Å; V582-Y588 HydrophobicContact CG2-CE2 3.83Å
583	D	94.1	Very high	83.4	Confident	106 Å²	106	49.9 Å²	49.9	57%	0.567	27%	0.265	S	S	*	.	S	Bend	trans	-84.9	-20	-177.5	-73.4	-31.6	0	0	0	113.7	R531 R532	R531-D583 CarbonylContact C-O 3.56Å; R532-D583 WeakPolarHBondContact CA-O 3.34Å; R532-D583 WeakPolarHBondContact CD-OD1 3.42Å; R532-D583 WeakPolarHBondContact CG-OD1 3.31Å; R532-D583 PolarHBondContact N-O 3.32Å; R532-D583 IonicContact NE-OD1 2.77Å; R532-D583 PolarHBondContact NE-OD1 3.32Å
584	H	91.5	Very high	81.6	Confident	47 Å²	47	50.8 Å²	50.8	22%	0.218	26%	0.262	C	S	.	.	S	Bend	trans	-151	-177.2	174.9	73.4	-86.6	0	0	0	109.4	V525 V582 S586 Y588	V525-H584 HydrophobicContact CB-CB 4.48Å; V525-H584 HydrophobicContact CG1-CB 3.77Å; V525-H584 HydrophobicContact CG2-CB 3.96Å; V582-H584 WeakPolarHBondContact CG2-O 3.17Å; H584-S586 PolarHBondContact NE2-OG 3.32Å; H584-S586 VanDerWaalsContact NE2-OG 3.15Å; H584-Y588 WeakPolarHBondContact O-CE2 3.41Å; H584-Y588 PolarHBondContact O-OH 3.03Å; H584-Y588 VanDerWaalsContact O-OH 3.09Å
585	F	86.9	Confident	79.9	Confident	1 Å²	1	50.1 Å²	50.1	0%	0.004	26%	0.257	C	S	.	.			trans	-115.5	127.7	177.1	-78.7	-90.5	0	0	0	112.8	V489 W491 V515 K522 L529 N530 R531 A533 I535 V582 Y588	V489-F585 HydrophobicContact CG1-CE1 4.14Å; V489-F585 HydrophobicContact CG1-CZ 3.54Å; W491-F585 HydrophobicContact CZ2-CE2 4.3Å; W491-F585 HydrophobicContact CZ2-CZ 4.19Å; W491-F585 AromaticContact NE1-CE2 3.34Å; W491-F585 VanDerWaalsContact NE1-CE2 3.34Å; W491-F585 AromaticContact NE1-CZ 3.97Å; V515-F585 HydrophobicContact CB-CB 4.06Å; V515-F585 HydrophobicContact CB-CD1 3.55Å; V515-F585 HydrophobicContact CB-CE1 4.17Å; V515-F585 HydrophobicContact CB-CG 3.82Å; V515-F585 HydrophobicContact CG1-CD1 4.4Å; V515-F585 HydrophobicContact CG1-CG 4.3Å; V515-F585 HydrophobicContact CG2-CD1 3.42Å; V515-F585 VanDerWaalsContact CG2-CD1 3.42Å; V515-F585 HydrophobicContact CG2-CE1 3.53Å; V515-F585 HydrophobicContact CG2-CG 4.13Å; V515-F585 HydrophobicContact CG2-CZ 4.32Å; K522-F585 WeakPolarHBondContact CE-O 3.36Å; K522-F585 PolarHBondContact NZ-O 2.83Å; L529-F585 WeakPolarHBondContact O-CD2 3.36Å; L529-F585 WeakPolarHBondContact O-CE2 3.35Å; N530-F585 PolarHBondContact OD1-N 2.92Å; N530-F585 PolarHBondContact OD1-O 2.85Å; R531-F585 WeakPolarHBondContact O-CE2 3.34Å; A533-F585 HydrophobicContact CB-CE2 3.6Å; A533-F585 HydrophobicContact CB-CZ 3.56Å; I535-F585 HydrophobicContact CD1-CE1 3.93Å; I535-F585 HydrophobicContact CD1-CZ 4.43Å; I535-F585 HydrophobicContact CG1-CE1 4.36Å; V582-F585 HydrophobicContact CG2-CE1 4.27Å; V582-F585 HydrophobicContact CG2-CE2 4.28Å; V582-F585 HydrophobicContact CG2-CZ 4.03Å; F585-Y588 HydrophobicContact CD1-CD2 4.25Å; F585-Y588 HydrophobicContact CD1-CE2 4.14Å
586	S	73.5	Confident	78.1	Confident	57 Å²	57	47.2 Å²	47.2	40%	0.399	26%	0.261	S	S	.	.	S	Bend	trans	-126.1	-75.3	167.3	-67.5	0	0	0	0	109.9	K522 H584	K522-S586 PolarHBondContact NZ-OG 3.07Å; H584-S586 PolarHBondContact NE2-OG 3.32Å; H584-S586 VanDerWaalsContact NE2-OG 3.15Å
587	K	77.6	Confident	75.9	Confident	110 Å²	110	56.4 Å²	56.4	48%	0.478	30%	0.303	S	S	.	.			trans	-162.4	137.9	164.8	177.8	164.6	175	166.8	0	109.1	E512	E512-K587 VanDerWaalsContact CD-NZ 3.3Å; E512-K587 WeakPolarHBondContact OE1-CE 3.48Å; E512-K587 IonicContact OE1-NZ 3.43Å; E512-K587 PolarHBondContact OE1-NZ 3.39Å; E512-K587 WeakPolarHBondContact OE2-CE 3.39Å; E512-K587 IonicContact OE2-NZ 2.69Å; E512-K587 PolarHBondContact OE2-NZ 2.94Å
588	Y	80.5	Confident	73.8	Confident	10 Å²	10	63.3 Å²	63.3	4%	0.039	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	115.1	-173	-60.1	-60.9	0	0	0	112.8	E512 V513 I535 M564 F580 V582 H584 F585	E512-Y588 WeakPolarHBondContact CA-O 3.45Å; V513-Y588 PolarHBondContact N-O 3.39Å; V513-Y588 PolarHBondContact O-N 2.98Å; V513-Y588 VanDerWaalsContact O-N 3.1Å; I535-Y588 HydrophobicContact CD1-CD2 3.6Å; I535-Y588 HydrophobicContact CD1-CE2 4.34Å; I535-Y588 HydrophobicContact CD1-CG 4.13Å; M564-Y588 HydrophobicContact CB-CD1 3.99Å; M564-Y588 HydrophobicContact CB-CE1 4.14Å; M564-Y588 HydrophobicContact CG-CD1 4.45Å; M564-Y588 WeakPolarHBondContact O-CE1 3.23Å; M564-Y588 HydrophobicContact SD-CD1 3.96Å; F580-Y588 HydrophobicContact CE2-CG 4.17Å; V582-Y588 HydrophobicContact CB-CE2 3.81Å; V582-Y588 HydrophobicContact CG1-CD1 4.23Å; V582-Y588 HydrophobicContact CG1-CD2 3.96Å; V582-Y588 HydrophobicContact CG1-CE1 3.96Å; V582-Y588 HydrophobicContact CG1-CE2 3.64Å; V582-Y588 HydrophobicContact CG1-CG 4.25Å; V582-Y588 HydrophobicContact CG2-CD2 4.36Å; V582-Y588 HydrophobicContact CG2-CE2 3.83Å; H584-Y588 WeakPolarHBondContact O-CE2 3.41Å; H584-Y588 PolarHBondContact O-OH 3.03Å; H584-Y588 VanDerWaalsContact O-OH 3.09Å; F585-Y588 HydrophobicContact CD1-CD2 4.25Å; F585-Y588 HydrophobicContact CD1-CE2 4.14Å
589	G	72.5	Confident	71.7	Confident	10 Å²	10	72.4 Å²	72.4	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	160.4	178.8	0	0	0	0	0	113.6	K511 V591	K511-G589 CarbonylContact O-C 3.58Å; K511-G589 WeakPolarHBondContact O-CA 3.35Å; G589-V591 PolarHBondContact O-N 3.35Å
590	L	69.3	Low	69.5	Low	13 Å²	13	79.3 Å²	79.3	7%	0.068	41%	0.408	C	S	.	.			trans	-86.8	86.8	175.6	-168.3	73.5	0	0	0	110.4	K511 V540 F553 L557 A560 W578 D592	K511-L590 HydrophobicContact CB-CB 4.13Å; K511-L590 HydrophobicContact CD-CB 4.25Å; K511-L590 HydrophobicContact CD-CD2 4.08Å; K511-L590 PolarHBondContact O-N 2.9Å; V540-L590 HydrophobicContact CG1-CD2 4.25Å; F553-L590 HydrophobicContact CE2-CD2 4.03Å; F553-L590 HydrophobicContact CZ-CD2 3.82Å; L557-L590 HydrophobicContact CD2-CD1 4.04Å; L557-L590 HydrophobicContact CD2-CD2 4.26Å; A560-L590 HydrophobicContact CB-CD1 4.15Å; W578-L590 HydrophobicContact CH2-CB 4.48Å; W578-L590 HydrophobicContact CH2-CD1 4.44Å; W578-L590 HydrophobicContact CZ3-CB 3.92Å; L590-D592 PolarHBondContact O-N 3.1Å
591	V	67.1	Low	66.9	Low	70 Å²	70	87.1 Å²	87.1	42%	0.424	45%	0.445	S	S	.	.			trans	-62.9	123.8	171	-172.5	0	0	0	0	109.3	G589 E593	G589-V591 PolarHBondContact O-N 3.35Å; V591-E593 HydrophobicContact CG1-CB 4.1Å; V591-E593 HydrophobicContact CG1-CG 3.91Å; V591-E593 PolarHBondContact O-N 2.91Å
592	D	61.6	Low	64.4	Low	86 Å²	86	92.1 Å²	92.1	46%	0.46	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-2.8	-172.8	-76.2	-43.3	0	0	0	114.3	K511 L590 E594	K511-D592 IonicContact NZ-OD1 3.97Å; K511-D592 PolarHBondContact NZ-OD1 2.94Å; K511-D592 IonicContact NZ-OD2 3.01Å; L590-D592 PolarHBondContact O-N 3.1Å; D592-E594 PolarHBondContact O-N 2.96Å
593	E	54.5	Low	61.9	Low	167 Å²	167	96.7 Å²	96.7	78%	0.78	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.4	-169.7	-67	-174.4	142.8	0	0	115.8	V591 S595	V591-E593 HydrophobicContact CG1-CB 4.1Å; V591-E593 HydrophobicContact CG1-CG 3.91Å; V591-E593 PolarHBondContact O-N 2.91Å; E593-S595 PolarHBondContact O-N 3.31Å
594	E	49.1	Very low	59.6	Low	82 Å²	82	102 Å²	102	38%	0.383	52%	0.517	S	S	.	.			trans	-79.6	54.7	-179.9	-162.6	173.6	-121.7	0	0	111.7	R556 R563 D592	R556-E594 PolarHBondContact NH2-O 3.25Å; R563-E594 IonicContact CZ-OE1 2.77Å; R563-E594 IonicContact CZ-OE2 2.79Å; R563-E594 IonicContact NE-OE1 3.16Å; R563-E594 PolarHBondContact NE-OE1 3Å; R563-E594 IonicContact NE-OE2 3.15Å; R563-E594 IonicContact NH2-OE1 2.67Å; R563-E594 PolarHBondContact NH2-OE1 2.61Å; R563-E594 IonicContact NH2-OE2 2.79Å; R563-E594 PolarHBondContact NH2-OE2 2.78Å; D592-E594 PolarHBondContact O-N 2.96Å
595	S	47.7	Very low	57	Low	84 Å²	84	102.8 Å²	102.8	59%	0.587	54%	0.537	S	S	*	.			trans	-115.2	17	-174.4	-169.2	0	0	0	0	112.9	E593	E593-S595 PolarHBondContact O-N 3.31Å
596	S	50.7	Low	54.7	Low	94 Å²	94	107.3 Å²	107.3	66%	0.657	58%	0.575	S	S	*	*	S	Bend	trans	-130.3	105.8	-170.3	-55.2	0	0	0	0	111.5	E598	S596-E598 PolarHBondContact O-N 3.41Å
597	E	45	Very low	53.1	Low	193 Å²	193	109.2 Å²	109.2	90%	0.902	59%	0.594	S	S	*	*			trans	53.5	55.9	140.5	-63.2	168.2	-151.6	0	0	118
598	E	49.6	Very low	51.7	Low	167 Å²	167	108.4 Å²	108.4	78%	0.78	61%	0.608	S	S	*	*			trans	-117.5	66.6	152	-76.6	-170.1	178	0	0	110.5	S596 E600	S596-E598 PolarHBondContact O-N 3.41Å; E598-E600 PolarHBondContact O-N 2.9Å
599	E	49.4	Very low	50.2	Low	190 Å²	190	117.4 Å²	117.4	89%	0.888	65%	0.65	S	S	*	*			trans	-76.3	91.1	157.2	-70.2	-170.3	175.6	0	0	108.1	E601	E599-E601 PolarHBondContact O-N 3.32Å
600	E	50	Low	48.8	Very low	169 Å²	169	123.9 Å²	123.9	79%	0.79	69%	0.688	S	S	*	*			trans	-60.8	105.5	158.8	-83.9	-169.4	127.6	0	0	107.5	E598 V602	E598-E600 PolarHBondContact O-N 2.9Å; E600-V602 VanDerWaalsContact C-N 3.29Å; E600-V602 PolarHBondContact O-N 3.21Å
601	E	42.6	Very low	47.5	Very low	164 Å²	164	126.6 Å²	126.6	77%	0.766	72%	0.718	S	S	*	*			trans	-60.9	95.4	169.2	-172.6	-174.8	173.9	0	0	107.9	E599 V603	E599-E601 PolarHBondContact O-N 3.32Å; E601-V603 HydrophobicContact CB-CG2 4.49Å; E601-V603 HydrophobicContact CG-CG2 3.84Å; E601-V603 PolarHBondContact O-N 3.31Å
602	V	43.8	Very low	46.3	Very low	113 Å²	113	129.9 Å²	129.9	69%	0.685	73%	0.734	S	S	*	*			trans	-70.1	78.6	167.3	-176.5	0	0	0	0	106.8	E600 Y604	E600-V602 VanDerWaalsContact C-N 3.29Å; E600-V602 PolarHBondContact O-N 3.21Å; V602-Y604 WeakPolarHBondContact O-CD2 3.3Å; V602-Y604 PolarHBondContact O-N 3.06Å
603	V	43.5	Very low	45.4	Very low	97 Å²	97	134.9 Å²	134.9	59%	0.588	75%	0.754	S	S	*	*			trans	-52.9	111.1	171.7	176	0	0	0	0	106.3	E601 G605	E601-V603 HydrophobicContact CB-CG2 4.49Å; E601-V603 HydrophobicContact CG-CG2 3.84Å; E601-V603 PolarHBondContact O-N 3.31Å; V603-G605 PolarHBondContact O-N 3.16Å
604	Y	45.1	Very low	44.8	Very low	219 Å²	219	132 Å²	132	86%	0.859	75%	0.748	S	S	*	*			trans	-66.9	84.3	168.3	-84.2	-96.1	0	0	0	107.3	V602 A606	V602-Y604 WeakPolarHBondContact O-CD2 3.3Å; V602-Y604 PolarHBondContact O-N 3.06Å; Y604-A606 PolarHBondContact O-N 3.26Å
605	G	36.7	Very low	44.3	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	77%	0.773	S	S	*	*			trans	-58.2	97.8	178.7	0	0	0	0	0	109.1	V603 A607	V603-G605 PolarHBondContact O-N 3.16Å; G605-A607 PolarHBondContact O-N 3.28Å
606	A	39.5	Very low	43.8	Very low	96 Å²	96	142.7 Å²	142.7	79%	0.793	78%	0.78	S	S	*	*			trans	-61.3	108.6	177.3	0	0	0	0	0	107.9	Y604 A608	Y604-A606 PolarHBondContact O-N 3.26Å; A606-A608 PolarHBondContact O-N 3.08Å
607	A	40.4	Very low	43.2	Very low	98 Å²	98	146 Å²	146	81%	0.81	79%	0.786	S	S	*	*			trans	-70.9	77.3	179.1	0	0	0	0	0	110.1	G605	G605-A607 PolarHBondContact O-N 3.28Å
608	A	47.1	Very low	42.8	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.1	135	159.6	0	0	0	0	0	108.4	A606	A606-A608 PolarHBondContact O-N 3.08Å
609	E	48.5	Very low	42.6	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-71.3	156.6	-169	-65.2	179.8	114.8	0	0	113.4
610	V	44.3	Very low	42.4	Very low	147 Å²	147	137.4 Å²	137.4	89%	0.891	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-87.5	136.4	179.8	175.8	0	0	0	0	110.8
611	G	41.9	Very low	42	Very low	69 Å²	69	137.7 Å²	137.7	71%	0.711	77%	0.769	S	S	*	*			trans	171.6	80.6	174	0	0	0	0	0	106.7
612	D	41.6	Very low	41.9	Very low	139 Å²	139	133.6 Å²	133.6	74%	0.743	77%	0.772	S	S	*	*				49	97.7	69.5	-166.7	23	0	0	0	112.3
613	E	42.8	Very low	41.7	Very low	191 Å²	191	136.3 Å²	136.3	89%	0.893	78%	0.781	S	S	*	*			trans	-152.2	139.2	138.3	-124.1	172.9	-146.2	0	0	109.7
614	T	42	Very low	41.5	Very low	107 Å²	107	139.8 Å²	139.8	66%	0.656	80%	0.796	S	S	*	*			trans	-87.9	155.1	-174.8	53.9	0	0	0	0	112.4
615	Y	37.8	Very low	41.3	Very low	233 Å²	233	139.4 Å²	139.4	91%	0.914	79%	0.793	S	S	*	*			trans	-126.1	125.2	153	-129.6	-94	0	0	0	111.2
616	Q	37.7	Very low	41.3	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.734	80%	0.802	S	S	*	*			trans	-89.8	150.6	171.3	-64.3	174.4	-103.3	0	0	109.7
617	Q	37.9	Very low	41.2	Very low	165 Å²	165	148.2 Å²	148.2	77%	0.771	80%	0.804	S	S	*	*			trans	162.4	105.2	131	-81.1	-149.8	-84.5	0	0	106
618	D	37.3	Very low	41.1	Very low	122 Å²	122	146.7 Å²	146.7	65%	0.652	80%	0.799	S	S	*	*				77.1	104.2	92.2	-68.8	-34.9	0	0	0	111.5
619	D	43.7	Very low	40.8	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	80%	0.798	S	S	*	*				-168	122.8	122	-105.2	-22.6	0	0	0	114.5
620	S	45.4	Very low	40.6	Very low	89 Å²	89	147.5 Å²	147.5	62%	0.622	79%	0.794	S	S	*	*			trans	31.7	121.7	151.1	66.6	0	0	0	0	123.9
621	I	41.5	Very low	40.4	Very low	175 Å²	175	147.6 Å²	147.6	90%	0.897	79%	0.79	S	S	*	*				65.9	124.4	126.5	-57.9	168.9	0	0	0	119.3
622	G	41.4	Very low	40.5	Very low	79 Å²	79	152.1 Å²	152.1	81%	0.814	80%	0.798	S	S	*	*			trans	179.7	36.8	170.2	0	0	0	0	0	118.7
623	L	39.1	Very low	40.4	Very low	169 Å²	169	154.1 Å²	154.1	89%	0.885	80%	0.803	S	S	*	*			trans	-84.6	114.2	-173	-167.5	87.3	0	0	0	113.8
624	L	39.8	Very low	40.4	Very low	170 Å²	170	152.3 Å²	152.3	89%	0.89	80%	0.798	S	S	*	*			trans	-145.9	166.4	160.3	-152.8	53.8	0	0	0	114
625	R	40.3	Very low	40.3	Very low	211 Å²	211	153.2 Å²	153.2	80%	0.796	80%	0.803	S	S	*	*			trans	-117.7	149	-158.1	-71.6	175.5	167.7	167.2	-4.1	114.9
626	R	38.5	Very low	40.3	Very low	224 Å²	224	145.1 Å²	145.1	85%	0.845	79%	0.791	S	S	*	*			trans	72.6	122.2	135.6	-85.3	-175.1	175	-165.4	-2	122.1
627	S	36.2	Very low	40.5	Very low	119 Å²	119	145.2 Å²	145.2	83%	0.832	80%	0.796	S	S	*	*				77.5	128.7	123.9	68.5	0	0	0	0	122.3
628	G	38.9	Very low	40.7	Very low	67 Å²	67	145.3 Å²	145.3	69%	0.691	80%	0.797	S	S	*	*			trans	154.1	95.4	172.4	0	0	0	0	0	106.3
629	V	40.2	Very low	40.9	Very low	122 Å²	122	150.7 Å²	150.7	74%	0.739	81%	0.809	S	S	*	*				58.8	111.2	74.8	-178.3	0	0	0	0	111.7
630	H	43.6	Very low	40.8	Very low	185 Å²	185	146.8 Å²	146.8	86%	0.856	80%	0.799	S	S	*	*				-165.9	147.1	121.9	-96.9	86.1	0	0	0	109.1
631	D	40.5	Very low	40.2	Very low	149 Å²	149	148.8 Å²	148.8	80%	0.797	81%	0.811	S	S	*	*			trans	-89.1	156	171.5	-54.9	-93.9	0	0	0	110.3
632	D	44.7	Very low	40.1	Very low	165 Å²	165	149.9 Å²	149.9	88%	0.882	81%	0.81	S	S	*	*			trans	-155.6	148.2	152.4	-123.8	-33.4	0	0	0	111.3
633	Q	38.3	Very low	39.8	Very low	181 Å²	181	157 Å²	157	85%	0.846	81%	0.812	S	S	*	*			trans	-139.2	114.2	-168.6	-177.1	-172.9	19.5	0	0	111.3
634	L	42.9	Very low	39.8	Very low	152 Å²	152	155.5 Å²	155.5	80%	0.796	80%	0.804	S	S	*	*			trans	-139.3	136.8	177	-70.6	174.5	0	0	0	112.5
635	V	41.1	Very low	39.8	Very low	127 Å²	127	153.7 Å²	153.7	77%	0.77	80%	0.795	S	S	*	*			trans	35.6	115.1	131	-171.1	0	0	0	0	115.9
636	G	38.1	Very low	39.8	Very low	63 Å²	63	154 Å²	154	65%	0.649	80%	0.798	S	S	*	*			cis	92.3	101.7	20.2	0	0	0	0	0	111
637	D	40.5	Very low	40	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	80%	0.796	S	S	*	*			trans	-161	152.4	161.2	-111.7	-18	0	0	0	114.5
638	E	42.6	Very low	40.1	Very low	167 Å²	167	155.3 Å²	155.3	78%	0.78	82%	0.818	S	S	*	*			trans	-56	132.3	-178.9	177.8	176.1	-147.8	0	0	115.9
639	Y	40.9	Very low	40.1	Very low	234 Å²	234	159.8 Å²	159.8	92%	0.918	83%	0.825	S	S	*	*			trans	-118.3	107.5	159	-90.1	-87.5	0	0	0	110.9
640	A	41.6	Very low	40.1	Very low	75 Å²	75	161.7 Å²	161.7	62%	0.62	83%	0.829	S	S	*	*			trans	-78	145	-166.6	0	0	0	0	0	114.9	K642	A640-K642 PolarHBondContact O-N 3.44Å
641	C	34.3	Very low	39.9	Very low	131 Å²	131	160.4 Å²	160.4	89%	0.885	83%	0.827	S	S	*	*			trans	-62	98.8	177.2	-63.6	0	0	0	0	113.5	R643	C641-R643 VanDerWaalsContact C-N 3.28Å; C641-R643 PolarHBondContact O-N 3.01Å
642	K	37.6	Very low	39.9	Very low	198 Å²	198	161.1 Å²	161.1	86%	0.861	83%	0.829	S	S	*	*			trans	-81.1	70.6	165.1	-74.8	-176.3	178.5	173.7	0	111.5	A640 L644	A640-K642 PolarHBondContact O-N 3.44Å; K642-L644 VanDerWaalsContact C-N 3.28Å; K642-L644 PolarHBondContact O-N 3.39Å
643	R	36.1	Very low	39.6	Very low	228 Å²	228	160.9 Å²	160.9	86%	0.86	83%	0.826	S	S	*	*			trans	-73.7	81.6	170.3	-168.3	179.5	-168.2	174.8	5.2	110	C641 L645	C641-R643 VanDerWaalsContact C-N 3.28Å; C641-R643 PolarHBondContact O-N 3.01Å; R643-L645 PolarHBondContact O-N 3.39Å
644	L	39.5	Very low	39.7	Very low	138 Å²	138	159.5 Å²	159.5	72%	0.723	83%	0.825	S	S	*	*			trans	-80	106.6	-179.2	-142.1	154.6	0	0	0	109.1	K642 Y646	K642-L644 VanDerWaalsContact C-N 3.28Å; K642-L644 PolarHBondContact O-N 3.39Å; L644-Y646 HydrophobicContact CD2-CD2 3.92Å; L644-Y646 HydrophobicContact CD2-CE2 4.21Å; L644-Y646 PolarHBondContact O-N 3.48Å
645	L	39.2	Very low	39.5	Very low	132 Å²	132	160.1 Å²	160.1	69%	0.691	83%	0.827	S	S	*	*			trans	-68.2	122.5	174.3	-76.3	162.1	0	0	0	109.6	R643	R643-L645 PolarHBondContact O-N 3.39Å
646	Y	40.4	Very low	39.3	Very low	219 Å²	219	162.6 Å²	162.6	86%	0.859	83%	0.831	S	S	*	*			trans	-122.7	112.6	157.6	-113.7	-92.1	0	0	0	108.9	L644	L644-Y646 HydrophobicContact CD2-CD2 3.92Å; L644-Y646 HydrophobicContact CD2-CE2 4.21Å; L644-Y646 PolarHBondContact O-N 3.48Å
647	F	43.3	Very low	39.4	Very low	184 Å²	184	170.9 Å²	170.9	81%	0.807	85%	0.846	S	S	*	*			trans	-80.1	148.7	165	-88.1	-100.2	0	0	0	109.3
648	S	37.3	Very low	39.4	Very low	186 Å²	186	172 Å²	172	100%	1.301	85%	0.846	S	S	*	*			trans	-141.6	0	152.8	-174.9	0	0	0	0	109.2

Retrieved 648 of 648 residues in 284.3 ms (Link to these results)

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