A0A3Q0KS95_SCHMA Loading...

Putative nuclear protein

AlphaFold DB , UniProt , Accession A0A3Q0KS95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 607 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	34.4	Very low	33.4	Very low	226 Å²	226	164.5 Å²	164.5	100%	1.113	83%	0.825	S	S	*	*				0	83.7	0	-91.1	-68.5	-168.8	0	0	107.9
2	D	28.4	Very low	33.5	Very low	147 Å²	147	161.8 Å²	161.8	79%	0.786	82%	0.815	S	S	*	*			trans	-123.3	94.9	-147.7	-49.5	-76.9	0	0	0	111.7
3	F	30.5	Very low	33.3	Very low	188 Å²	188	161.2 Å²	161.2	83%	0.825	81%	0.814	S	S	*	*			trans	-143.7	156	176.5	-91.9	-81.6	0	0	0	112.8
4	F	34.2	Very low	33.2	Very low	168 Å²	168	161 Å²	161	74%	0.737	82%	0.815	S	S	*	*			trans	80.4	39.7	175.5	-58.4	-74.5	0	0	0	119.1
5	N	32.7	Very low	33	Very low	172 Å²	172	158.6 Å²	158.6	92%	0.92	82%	0.819	S	S	*	*			trans	-80.5	102.8	135.9	-94.2	-32.6	0	0	0	109.1
6	R	35.3	Very low	32.9	Very low	217 Å²	217	158.8 Å²	158.8	82%	0.819	82%	0.819	S	S	*	*			trans	-139.4	95.3	167.6	-81.1	-163.9	174.8	-153.1	-2.1	111.2
7	T	33.5	Very low	33.3	Very low	126 Å²	126	159.8 Å²	159.8	77%	0.773	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-65.4	138.5	161.6	41.9	0	0	0	0	109.9	V9	T7-V9 PolarHBondContact O-N 3.49Å
8	P	35.5	Very low	33.3	Very low	124 Å²	124	154.7 Å²	154.7	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.6	121.8	168.6	28.4	-31.9	0	0	0	109.3
9	V	34.5	Very low	33.3	Very low	135 Å²	135	157.1 Å²	157.1	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-66.1	139.4	176.6	178.6	0	0	0	0	109.8	T7	T7-V9 PolarHBondContact O-N 3.49Å
10	K	35.7	Very low	33.5	Very low	155 Å²	155	158.1 Å²	158.1	67%	0.674	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-75.8	139.3	-179.5	-60.6	174	-175.7	172.6	0	111	D12	K10-D12 VanDerWaalsContact C-N 3.32Å; K10-D12 PolarHBondContact O-N 2.73Å
11	N	33.1	Very low	33.6	Very low	151 Å²	151	155.5 Å²	155.5	81%	0.807	82%	0.824	S	S	*	*			trans	-84.9	75.9	163.4	-76.7	-19.1	0	0	0	109.7	I13	N11-I13 PolarHBondContact O-N 3.39Å; N11-I13 VanDerWaalsContact O-N 3.16Å
12	D	34.1	Very low	33.6	Very low	132 Å²	132	149.4 Å²	149.4	71%	0.706	80%	0.803	S	S	*	*			trans	-78.3	92.2	175	-71.3	-39.4	0	0	0	110.3	K10 L14	K10-D12 VanDerWaalsContact C-N 3.32Å; K10-D12 PolarHBondContact O-N 2.73Å; D12-L14 PolarHBondContact O-N 3.32Å
13	I	31.3	Very low	34.2	Very low	155 Å²	155	152.5 Å²	152.5	80%	0.795	81%	0.81	S	S	*	*			trans	-91.4	68.1	179	-49.6	-179.3	0	0	0	110.7	N11	N11-I13 PolarHBondContact O-N 3.39Å; N11-I13 VanDerWaalsContact O-N 3.16Å
14	L	31.6	Very low	34.5	Very low	158 Å²	158	153.3 Å²	153.3	83%	0.827	81%	0.813	S	S	*	*			trans	-152	84.7	166.3	-79.9	-173.9	0	0	0	111.9	D12	D12-L14 PolarHBondContact O-N 3.32Å
15	S	29.9	Very low	34.8	Very low	125 Å²	125	154.6 Å²	154.6	87%	0.874	82%	0.818	S	S	*	*			trans	-176.9	101.1	147.1	-83.7	0	0	0	0	111.6
16	I	32	Very low	35	Very low	161 Å²	161	156.9 Å²	156.9	83%	0.826	82%	0.816	S	S	*	*			trans	-137.5	147.1	159.1	-59.2	-178.4	0	0	0	106.1
17	I	38.7	Very low	35.1	Very low	176 Å²	176	151.3 Å²	151.3	90%	0.903	81%	0.81	S	S	*	*	S	Bend	trans	83.2	129.6	-172.3	-51.1	168.7	0	0	0	113.4
18	G	33.6	Very low	35.3	Very low	69 Å²	69	157.2 Å²	157.2	71%	0.711	82%	0.818	S	S	*	*			trans	127.3	29.7	151.7	0	0	0	0	0	120	L20	G18-L20 PolarHBondContact O-N 3.41Å
19	H	33.1	Very low	35.7	Very low	199 Å²	199	156.6 Å²	156.6	92%	0.921	81%	0.814	S	S	*	*			trans	-65.5	116.2	160.6	-94.1	-100.5	0	0	0	110.1
20	L	36.9	Very low	35.8	Very low	177 Å²	177	158.1 Å²	158.1	93%	0.927	82%	0.816	S	S	*	*			trans	-176.7	119	140.2	-101.9	168	0	0	0	108.9	G18	G18-L20 PolarHBondContact O-N 3.41Å
21	S	35.6	Very low	36	Very low	105 Å²	105	159.1 Å²	159.1	73%	0.734	82%	0.821	S	S	*	*			trans	-112.1	129.6	-173.1	-171.1	0	0	0	0	112.8
22	S	36	Very low	36.3	Very low	97 Å²	97	158.5 Å²	158.5	68%	0.678	82%	0.823	S	S	*	*			trans	50.8	116.7	144	-52.2	0	0	0	0	120
23	K	40.9	Very low	36.5	Very low	212 Å²	212	155.2 Å²	155.2	92%	0.922	82%	0.82	S	S	*	*				-167.6	133.3	100.8	-96.3	148.6	-173.1	174.2	0	112
24	K	35.7	Very low	37	Very low	205 Å²	205	154.9 Å²	154.9	89%	0.891	82%	0.82	S	S	*	*			trans	-90.2	132.4	167.8	-71	179	176.2	178.1	0	109.9
25	K	40.9	Very low	37.4	Very low	195 Å²	195	154.7 Å²	154.7	85%	0.848	82%	0.815	S	S	*	*			trans	-148.7	115.6	149.2	-82.2	-159.2	177.3	-177.8	0	112.4
26	Y	36.6	Very low	37.7	Very low	221 Å²	221	155.7 Å²	155.7	87%	0.867	81%	0.809	S	S	*	*			trans	55.9	138.2	138.1	-77.4	-86.6	0	0	0	125.5
27	S	38.1	Very low	38.1	Very low	100 Å²	100	155.2 Å²	155.2	70%	0.699	81%	0.807	S	S	*	*			trans	73.4	90.5	136.6	60.6	0	0	0	0	123.7
28	R	37.7	Very low	38.2	Very low	250 Å²	250	152.6 Å²	152.6	94%	0.943	80%	0.799	S	S	*	*				70.9	159.2	120.1	-78.9	-160.3	171.7	-155.8	-1.5	121.5
29	P	43.8	Very low	38.4	Very low	110 Å²	110	154 Å²	154	71%	0.714	80%	0.798	S	S	*	*			trans	-132	169.1	-147.9	43.7	-28.1	0	0	0	117.4
30	L	37.3	Very low	38.7	Very low	167 Å²	167	149.4 Å²	149.4	87%	0.874	79%	0.788	S	S	*	*			trans	-152.3	163.4	162.9	-72.3	178.8	0	0	0	108.7
31	F	38.4	Very low	38.9	Very low	177 Å²	177	152.9 Å²	152.9	78%	0.776	79%	0.789	S	S	*	*			cis	-167	148.1	-42.4	-147	-116.5	0	0	0	107.5
32	T	40.4	Very low	38.9	Very low	138 Å²	138	155.4 Å²	155.4	85%	0.847	79%	0.789	S	S	*	*			trans	62.4	155.8	176.7	68.4	0	0	0	0	118.1
33	G	37.9	Very low	39.4	Very low	62 Å²	62	159.2 Å²	159.2	64%	0.639	80%	0.8	S	S	*	*			cis	178.9	159.1	-10.9	0	0	0	0	0	116
34	N	41.6	Very low	39.3	Very low	149 Å²	149	159 Å²	159	80%	0.797	79%	0.794	S	S	*	*			trans	53.8	107.3	148.9	-52.5	-4.9	0	0	0	121.4
35	H	40.4	Very low	39.6	Very low	154 Å²	154	154.6 Å²	154.6	71%	0.713	79%	0.786	S	S	*	*				173.1	121.8	104.7	-97.7	-92.9	0	0	0	107.6
36	L	36.2	Very low	39.4	Very low	146 Å²	146	151.1 Å²	151.1	76%	0.764	79%	0.786	S	S	*	*				53	121.3	81.3	-59.7	173.3	0	0	0	111.5
37	I	40.2	Very low	39.4	Very low	150 Å²	150	145.8 Å²	145.8	77%	0.769	78%	0.776	S	S	*	*				-158.5	159.1	74	-87.3	165	0	0	0	112.5
38	T	40.2	Very low	39.3	Very low	121 Å²	121	149.6 Å²	149.6	74%	0.742	79%	0.788	S	S	*	*			trans	-24	161.7	170.1	67	0	0	0	0	119.2
39	S	38.9	Very low	39	Very low	98 Å²	98	144.5 Å²	144.5	69%	0.685	78%	0.775	S	S	*	*			cis	-168.2	135.2	42.5	-159.8	0	0	0	0	117.1
40	S	39	Very low	38.6	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	78%	0.777	S	S	*	*			trans	41.7	120	133.4	-42.4	0	0	0	0	122.5
41	R	40.6	Very low	38.5	Very low	251 Å²	251	146.6 Å²	146.6	95%	0.947	77%	0.773	S	S	*	*				-166.3	148.4	93.5	-105.9	177.3	175.9	171.2	-0.5	112.8
42	E	37.2	Very low	38.2	Very low	157 Å²	157	146 Å²	146	73%	0.734	77%	0.773	S	S	*	*			trans	-96.9	151.8	-178.8	-59.1	169.3	98.2	0	0	112.2
43	I	44.6	Very low	38.1	Very low	177 Å²	177	148.6 Å²	148.6	91%	0.908	77%	0.773	S	S	*	*			trans	-132.1	132.4	138.7	-60.8	-175.9	0	0	0	106.4
44	R	40.5	Very low	37.9	Very low	209 Å²	209	150.6 Å²	150.6	79%	0.789	77%	0.772	S	S	*	*			trans	-110.5	172.2	-173.8	-106.8	-166.9	165.7	-167.9	-1.8	111.8
45	P	40.7	Very low	37.5	Very low	111 Å²	111	149.2 Å²	149.2	72%	0.721	77%	0.769	S	S	*	*			trans	-99.6	-179.7	-151.6	40.4	-40	0	0	0	114.9
46	S	37.7	Very low	37.3	Very low	122 Å²	122	150.9 Å²	150.9	85%	0.853	78%	0.777	S	S	*	*			trans	-134.8	136.7	159.8	-65.8	0	0	0	0	110.7
47	T	36.1	Very low	37.3	Very low	109 Å²	109	151.9 Å²	151.9	67%	0.669	78%	0.778	S	S	*	*			trans	-83.8	149.7	-178.3	-56.2	0	0	0	0	111.2	Q49	T47-Q49 HydrophobicContact CG2-CB 4.04Å
48	L	35.2	Very low	36.9	Very low	180 Å²	180	149 Å²	149	94%	0.942	77%	0.771	S	S	*	*			trans	-127.1	139	142	-81.2	178.5	0	0	0	109.3
49	Q	32.9	Very low	36.8	Very low	143 Å²	143	151.4 Å²	151.4	67%	0.668	77%	0.774	S	S	*	*			trans	-151.6	168.2	-177.3	-171.4	173.9	4.1	0	0	105.8	T47	T47-Q49 HydrophobicContact CG2-CB 4.04Å
50	F	34.4	Very low	36.6	Very low	175 Å²	175	152.8 Å²	152.8	77%	0.768	77%	0.773	S	S	*	*			trans	71.5	150.9	-169.9	-51.4	-82.4	0	0	0	112.3
51	D	35.7	Very low	36.3	Very low	147 Å²	147	154.6 Å²	154.6	79%	0.786	77%	0.774	S	S	*	*			cis	-108.6	156.6	10.4	-75.6	-61.9	0	0	0	115.9
52	E	32.9	Very low	35.9	Very low	163 Å²	163	149.8 Å²	149.8	76%	0.762	76%	0.762	S	S	*	*			trans	-110.9	133.1	165	172.1	-179.2	175.5	0	0	106.9
53	F	37.1	Very low	35.9	Very low	193 Å²	193	151.5 Å²	151.5	85%	0.846	77%	0.767	S	S	*	*			trans	-143.1	149.9	172.9	-111.3	-83.5	0	0	0	112.2
54	T	34	Very low	35.4	Very low	104 Å²	104	150 Å²	150	64%	0.638	76%	0.756	S	S	*	*			trans	-123.7	155.9	-154.9	27.3	0	0	0	0	114
55	V	33.4	Very low	35.3	Very low	120 Å²	120	146.3 Å²	146.3	73%	0.727	75%	0.748	S	S	*	*			trans	42.9	118.8	144.1	-177.9	0	0	0	0	120
56	E	36.6	Very low	35.1	Very low	190 Å²	190	147.4 Å²	147.4	89%	0.888	74%	0.744	S	S	*	*			trans	-177.3	112.4	134.4	-101.5	167.2	-160.1	0	0	105.5
57	E	34.6	Very low	35.2	Very low	167 Å²	167	150.1 Å²	150.1	78%	0.78	74%	0.74	S	S	*	*				66.1	107.1	61	-83	-146	149.7	0	0	117.6
58	S	33.8	Very low	35.3	Very low	88 Å²	88	149.4 Å²	149.4	62%	0.615	74%	0.74	S	S	*	*			trans	79.1	161	139.1	-60.1	0	0	0	0	120.6
59	H	37.1	Very low	35.5	Very low	173 Å²	173	147 Å²	147	80%	0.801	73%	0.728	S	S	*	*			trans	71	151.4	173.2	-58.4	-96.9	0	0	0	118.6
60	N	34	Very low	35.9	Very low	127 Å²	127	147.2 Å²	147.2	68%	0.679	73%	0.732	S	S	*	*			cis	-161	169.4	-44.5	-142.6	-20.7	0	0	0	110.9
61	L	34.3	Very low	36.1	Very low	141 Å²	141	145.2 Å²	145.2	74%	0.738	73%	0.725	S	S	*	*			trans	51.6	110.6	151.7	-71.1	163	0	0	0	121.7
62	H	31.5	Very low	36.4	Very low	150 Å²	150	145.8 Å²	145.8	69%	0.694	72%	0.721	S	S	*	*				56.3	119	111.6	-155.2	-82.7	0	0	0	120.5
63	F	37.6	Very low	36.7	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.842	73%	0.725	S	S	*	*			trans	-136.4	135.7	152.2	-141	-94.6	0	0	0	111.7
64	E	34.6	Very low	36.8	Very low	145 Å²	145	142.5 Å²	142.5	68%	0.678	72%	0.715	S	S	*	*			trans	-95.3	165.7	-178.1	-127.3	-172.1	173.4	0	0	110.9
65	Q	38.3	Very low	36.9	Very low	133 Å²	133	142.3 Å²	142.3	62%	0.621	72%	0.718	S	S	*	*				166.6	132.2	113.8	-90.7	-179.8	29.6	0	0	114.3
66	Q	36.5	Very low	37.2	Very low	133 Å²	133	146.2 Å²	146.2	62%	0.621	73%	0.725	S	S	*	*			trans	68.3	149.4	146.3	-61.8	176.9	51.3	0	0	117.9
67	K	38	Very low	37.2	Very low	179 Å²	179	143 Å²	143	78%	0.778	72%	0.719	S	S	*	*			cis	-150.1	160.4	4.1	-128.3	156.2	-175.9	154.2	0	110.5
68	S	38.1	Very low	37.3	Very low	94 Å²	94	139.1 Å²	139.1	66%	0.657	72%	0.716	S	S	*	*			trans	-90	163.7	-177.8	55.6	0	0	0	0	114.1
69	N	40.3	Very low	37.4	Very low	130 Å²	130	143 Å²	143	70%	0.695	72%	0.724	S	S	*	*				166.8	139.8	119.4	-86.9	-3.2	0	0	0	116.4
70	I	41	Very low	37.4	Very low	147 Å²	147	141 Å²	141	75%	0.754	72%	0.719	S	S	*	*			trans	65.1	143	138.4	-61.3	167.8	0	0	0	119.4
71	E	39.2	Very low	37.8	Very low	134 Å²	134	141.8 Å²	141.8	63%	0.626	72%	0.722	S	S	*	*			cis	-162.2	154.1	-33.2	-93.8	-146.5	128.4	0	0	109.9
72	K	41.8	Very low	38.2	Very low	159 Å²	159	140 Å²	140	69%	0.691	72%	0.722	S	S	*	*			trans	25.6	122.7	145.6	-56.3	165.2	-178.9	148.1	0	120.2
73	K	39.7	Very low	38.8	Very low	196 Å²	196	138.6 Å²	138.6	85%	0.852	73%	0.726	S	S	*	*				-172.9	138.5	98.7	-102.1	172.9	-177.1	177.6	0	115.9
74	S	38.6	Very low	39.2	Very low	91 Å²	91	134.8 Å²	134.8	64%	0.636	72%	0.72	S	S	*	*			trans	-13.5	134.3	153.6	52.2	0	0	0	0	117.9
75	S	36.5	Very low	39.3	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	73%	0.729	S	S	*	*				66.5	110.7	50.2	82.4	0	0	0	0	115.5
76	F	38.9	Very low	39.6	Very low	201 Å²	201	131.2 Å²	131.2	88%	0.882	74%	0.738	S	S	*	*			trans	-167.2	-179.4	133.4	-109.7	-68.8	0	0	0	110.4
77	T	36.5	Very low	39.8	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	75%	0.75	S	S	*	*			trans	-132.2	169.7	-147.3	50.3	0	0	0	0	115.6
78	A	37.4	Very low	40.2	Very low	87 Å²	87	136 Å²	136	72%	0.719	76%	0.757	S	S	*	*			trans	84.3	112.1	154.5	0	0	0	0	0	119.7
79	E	35.1	Very low	40.4	Very low	169 Å²	169	137 Å²	137	79%	0.79	76%	0.764	S	S	*	*			trans	9.2	130	133	-47.8	174.2	165.3	0	0	119.4
80	N	37.3	Very low	40.9	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	76%	0.762	S	S	*	*				174	159	95.7	-101.1	-67.2	0	0	0	116
81	I	42.2	Very low	40.9	Very low	142 Å²	142	135.5 Å²	135.5	73%	0.728	77%	0.768	S	S	*	*			trans	65.1	111.1	148.6	-66.1	161.6	0	0	0	120.9
82	S	43.2	Very low	40.9	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	78%	0.775	S	S	*	*			trans	54.6	134.6	136.1	-54.8	0	0	0	0	125.3
83	P	44.8	Very low	40.9	Very low	120 Å²	120	134 Å²	134	78%	0.779	78%	0.779	S	S	*	*			trans	-83.7	-176.1	157.7	41.6	-37.5	0	0	0	110.8
84	P	44.7	Very low	40.9	Very low	112 Å²	112	131.9 Å²	131.9	73%	0.727	78%	0.776	S	S	*	*			cis	-151.5	-176.7	23.7	45.7	-24.6	0	0	0	120.3
85	S	38.4	Very low	40.9	Very low	124 Å²	124	134.4 Å²	134.4	87%	0.867	78%	0.782	S	S	*	*			trans	85.4	138.2	149.1	81.5	0	0	0	0	120.5
86	G	42.9	Very low	41	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	78%	0.783	S	S	*	*			trans	-173.9	130.8	172	0	0	0	0	0	110
87	K	41.5	Very low	41	Very low	203 Å²	203	132.8 Å²	132.8	88%	0.883	77%	0.77	S	S	*	*			trans	-110	149.4	-168.8	-58.4	176.3	-178.5	174.3	0	113.1
88	K	45.5	Very low	40.9	Very low	211 Å²	211	134 Å²	134	92%	0.917	77%	0.772	S	S	*	*			trans	175.1	155.6	154.8	-96.5	152.8	-175.6	-178.3	0	108.9
89	S	43.5	Very low	41	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	78%	0.783	S	S	*	*			cis	-166.5	150.5	-47.4	-153.6	0	0	0	0	107.3
90	P	49.7	Very low	41	Very low	102 Å²	102	137.9 Å²	137.9	66%	0.662	78%	0.78	S	S	*	*			trans	-117.6	172.7	-160	42.2	-33.2	0	0	0	116.9
91	V	42.1	Very low	41	Very low	143 Å²	143	137.5 Å²	137.5	87%	0.867	79%	0.786	S	S	*	*			trans	-148.1	169.9	169.6	-174.3	0	0	0	0	108.7
92	Q	39.3	Very low	40.7	Very low	167 Å²	167	136.4 Å²	136.4	78%	0.78	78%	0.782	S	S	*	*				-160.6	104.3	-102.6	-92.3	175	-79.2	0	0	112.6
93	A	41.7	Very low	40.3	Very low	93 Å²	93	137.1 Å²	137.1	77%	0.769	79%	0.787	S	S	*	*			trans	-155.7	123.6	162.4	0	0	0	0	0	109.1
94	L	38.7	Very low	39.7	Very low	152 Å²	152	137 Å²	137	80%	0.796	79%	0.789	S	S	*	*				68.8	122.3	55.6	-62.3	174.9	0	0	0	111.8
95	L	39	Very low	39.3	Very low	145 Å²	145	139.6 Å²	139.6	76%	0.759	80%	0.795	S	S	*	*			cis	-153.1	-174.6	-3.8	-83.6	169.8	0	0	0	107.3
96	K	38.7	Very low	39.1	Very low	167 Å²	167	142 Å²	142	73%	0.726	80%	0.797	S	S	*	*			cis	-161.9	164.9	6.1	-143.4	-173.7	-179.4	178.8	0	110.4
97	T	38.4	Very low	38.5	Very low	100 Å²	100	141.7 Å²	141.7	61%	0.613	79%	0.794	S	S	*	*			trans	39.6	116.4	154.1	47.5	0	0	0	0	120.5
98	D	35	Very low	37.9	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	79%	0.793	S	S	*	*				87.3	118.2	53.2	-68.3	-43.4	0	0	0	114.9
99	L	39	Very low	37.3	Very low	179 Å²	179	134.5 Å²	134.5	94%	0.937	78%	0.783	S	S	*	*			trans	-169.5	127.4	137.8	-107.8	169.1	0	0	0	110.9
100	H	36.1	Very low	36.7	Very low	159 Å²	159	139 Å²	139	74%	0.736	78%	0.784	S	S	*	*			trans	-85.9	154.6	-179	-105.8	-110.9	0	0	0	113	D102	H100-D102 IonicContact CE1-OD2 3.49Å; H100-D102 PolarHBondContact CE1-OD2 3.13Å; H100-D102 IonicContact CG-OD2 3.86Å; H100-D102 IonicContact ND1-OD2 2.73Å; H100-D102 PolarHBondContact ND1-OD2 2.98Å
101	C	37.3	Very low	35.9	Very low	124 Å²	124	140.3 Å²	140.3	84%	0.838	79%	0.794	S	S	*	*			trans	-154.8	105.6	148.3	-169.6	0	0	0	0	110.2
102	D	34.4	Very low	35.5	Very low	119 Å²	119	142 Å²	142	64%	0.636	79%	0.79	S	S	*	*			trans	-89.9	142.7	177	-66	-82.2	0	0	0	111.9	H100	H100-D102 IonicContact CE1-OD2 3.49Å; H100-D102 PolarHBondContact CE1-OD2 3.13Å; H100-D102 IonicContact CG-OD2 3.86Å; H100-D102 IonicContact ND1-OD2 2.73Å; H100-D102 PolarHBondContact ND1-OD2 2.98Å
103	S	36.5	Very low	35	Very low	120 Å²	120	138.8 Å²	138.8	84%	0.839	79%	0.786	S	S	*	*			trans	-157.6	79.6	165.4	-79.7	0	0	0	0	110.4
104	S	32.4	Very low	34.5	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	79%	0.785	S	S	*	*			trans	-80.7	120.2	178.4	55.9	0	0	0	0	112.1
105	I	35	Very low	34.2	Very low	166 Å²	166	141.5 Å²	141.5	85%	0.851	79%	0.788	S	S	*	*			trans	-127.9	141.7	162.2	-65.2	-176.5	0	0	0	108.7
106	L	34.6	Very low	33.9	Very low	175 Å²	175	142.2 Å²	142.2	92%	0.916	79%	0.785	S	S	*	*			trans	-71.9	148.3	-171.4	-62.7	91.3	0	0	0	112.9
107	G	29.6	Very low	33.6	Very low	71 Å²	71	141 Å²	141	73%	0.732	79%	0.787	S	S	*	*			trans	-170.9	35.6	179.8	0	0	0	0	0	116	S109	G107-S109 PolarHBondContact O-N 2.88Å
108	N	29.6	Very low	33.4	Very low	161 Å²	161	143 Å²	143	86%	0.861	79%	0.793	S	S	*	*			trans	-70.4	113.6	178.5	-98.1	-8.8	0	0	0	112
109	S	32	Very low	33.4	Very low	102 Å²	102	146.9 Å²	146.9	71%	0.713	80%	0.799	S	S	*	*			trans	-138.3	99.1	165.2	53.6	0	0	0	0	112.1	G107 C111	G107-S109 PolarHBondContact O-N 2.88Å; S109-C111 PolarHBondContact O-N 3.4Å
110	Y	32.8	Very low	33.1	Very low	210 Å²	210	141.4 Å²	141.4	82%	0.824	79%	0.785	S	S	*	*			trans	-75	105.1	169.4	-91.7	-100.7	0	0	0	110.2	K112	Y110-K112 VanDerWaalsContact C-N 3.34Å; Y110-K112 PolarHBondContact O-N 2.67Å
111	C	31.5	Very low	32.8	Very low	129 Å²	129	140 Å²	140	87%	0.872	79%	0.793	S	S	*	*			trans	-75.2	84.5	168.1	-65.7	0	0	0	0	110.7	S109	S109-C111 PolarHBondContact O-N 3.4Å
112	K	33.4	Very low	32.6	Very low	179 Å²	179	142.4 Å²	142.4	78%	0.778	80%	0.797	S	S	*	*			trans	-68.9	149.5	168	-79	-176.6	176.2	177.6	0	111.4	Y110	Y110-K112 VanDerWaalsContact C-N 3.34Å; Y110-K112 PolarHBondContact O-N 2.67Å
113	S	29.6	Very low	32.3	Very low	99 Å²	99	142 Å²	142	69%	0.692	80%	0.804	S	S	*	*			trans	-2.9	137.3	157.9	56.9	0	0	0	0	119.4
114	N	31.7	Very low	32.1	Very low	141 Å²	141	145.4 Å²	145.4	75%	0.754	80%	0.804	S	S	*	*			trans	-141.3	95.7	138.6	-102.6	-23.4	0	0	0	110.5
115	N	31.6	Very low	32.2	Very low	161 Å²	161	146.6 Å²	146.6	86%	0.861	80%	0.8	S	S	*	*			trans	-81.8	127.9	153.1	-83.9	-23.2	0	0	0	106.8
116	F	33.3	Very low	31.9	Very low	160 Å²	160	147.3 Å²	147.3	70%	0.702	80%	0.8	S	S	*	*			trans	-138	102	167	-100.5	-82.5	0	0	0	110.1
117	N	31.6	Very low	32	Very low	141 Å²	141	144.8 Å²	144.8	75%	0.754	79%	0.794	S	S	*	*			trans	-92.7	171.8	151.9	-86.3	-2.8	0	0	0	108.6
118	D	33.6	Very low	32.1	Very low	141 Å²	141	148.9 Å²	148.9	75%	0.754	79%	0.792	S	S	*	*			trans	60.5	76.9	159.3	-56.9	-20.1	0	0	0	118.5
119	Y	36.1	Very low	32.3	Very low	230 Å²	230	146.7 Å²	146.7	90%	0.902	78%	0.784	S	S	*	*				-139.9	147.5	125.2	-75.7	-78.2	0	0	0	107.4
120	G	33	Very low	32.2	Very low	63 Å²	63	147.3 Å²	147.3	65%	0.649	78%	0.784	S	S	*	*			cis	160.3	127.6	-0.3	0	0	0	0	0	107.8	L122	G120-L122 PolarHBondContact O-N 3.2Å
121	S	29.5	Very low	32.4	Very low	130 Å²	130	145.7 Å²	145.7	91%	0.909	78%	0.784	S	S	*	*			trans	-65	115.7	-168.9	-60.8	0	0	0	0	113.3
122	L	32.6	Very low	32.5	Very low	174 Å²	174	144 Å²	144	91%	0.911	77%	0.773	S	S	*	*			trans	-131.5	111.1	161.7	-79.3	177.4	0	0	0	110.8	G120	G120-L122 PolarHBondContact O-N 3.2Å
123	S	28.1	Very low	32.7	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	78%	0.777	S	S	*	*			trans	-80.8	134.6	167.4	51	0	0	0	0	110.5
124	F	32.6	Very low	33	Very low	191 Å²	191	142 Å²	142	84%	0.838	78%	0.776	S	S	*	*			trans	-142.7	98.4	164.5	-134.1	-94.4	0	0	0	113.1
125	L	34.7	Very low	33.2	Very low	143 Å²	143	139.7 Å²	139.7	75%	0.749	77%	0.77	S	S	*	*			trans	36.6	115.3	145.3	-55.7	176.2	0	0	0	120
126	E	29.3	Very low	33.6	Very low	181 Å²	181	138.6 Å²	138.6	85%	0.846	77%	0.765	S	S	*	*			trans	-72.3	154	152.1	-59.7	-175.8	115	0	0	111.2
127	P	36.6	Very low	33.7	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	77%	0.769	S	S	*	*			trans	-118.3	112.4	158.6	34.4	-23.7	0	0	0	113.1
128	K	30.6	Very low	34	Very low	158 Å²	158	139.7 Å²	139.7	69%	0.687	78%	0.777	S	S	*	*			trans	-135.5	158.2	151.7	-66	-177.6	-178.5	167	0	105.7
129	T	33.4	Very low	34.1	Very low	115 Å²	115	138.8 Å²	138.8	71%	0.706	78%	0.776	S	S	*	*			cis	-161.4	147.8	34.4	-34.6	0	0	0	0	112.2
130	T	31.8	Very low	34.1	Very low	114 Å²	114	133.5 Å²	133.5	70%	0.699	77%	0.773	S	S	*	*			trans	67.2	151.6	146	32.2	0	0	0	0	124.9
131	Q	36	Very low	34.4	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	78%	0.782	S	S	*	*			trans	76.7	138.7	156.8	-72.1	168.2	50.3	0	0	118.1
132	S	34.6	Very low	34.6	Very low	92 Å²	92	138.7 Å²	138.7	64%	0.643	78%	0.776	S	S	*	*			cis	-170.1	150.8	-12.5	49.5	0	0	0	0	112.5
133	V	36.4	Very low	34.8	Very low	143 Å²	143	140.8 Å²	140.8	87%	0.867	78%	0.778	S	S	*	*			trans	55.1	160	170.6	-97	0	0	0	0	116.8
134	S	35.3	Very low	35	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	78%	0.776	S	S	*	*			cis	-154.8	121.3	-7.6	44.7	0	0	0	0	105.6
135	S	37.4	Very low	35.2	Very low	92 Å²	92	139 Å²	139	64%	0.643	78%	0.78	S	S	*	*				113.7	158.8	77.6	66.8	0	0	0	0	110.1
136	D	38.5	Very low	35.2	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	78%	0.782	S	S	*	*			trans	73.2	97	158.9	-42.2	-42.8	0	0	0	120.5
137	D	35.8	Very low	35.3	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	78%	0.778	S	S	*	*			trans	43	129.6	130.2	-63.8	-10.2	0	0	0	122.8
138	L	39.3	Very low	35.1	Very low	173 Å²	173	135.6 Å²	135.6	91%	0.906	78%	0.783	S	S	*	*				-165.5	161.7	97.1	-101.2	171.7	0	0	0	114
139	V	33.9	Very low	35.2	Very low	122 Å²	122	133.8 Å²	133.8	74%	0.739	79%	0.785	S	S	*	*			trans	-98.9	141.5	-171.3	172.4	0	0	0	0	112.3
140	S	37.9	Very low	35.1	Very low	120 Å²	120	136.1 Å²	136.1	84%	0.839	79%	0.792	S	S	*	*			trans	-161.8	101.4	150.5	-86.7	0	0	0	0	115.3
141	Q	38.8	Very low	35	Very low	182 Å²	182	138.8 Å²	138.8	85%	0.85	79%	0.794	S	S	*	*			trans	26.6	151.4	147.7	-62	-163.5	-5	0	0	124.8
142	P	33.8	Very low	34.7	Very low	119 Å²	119	139.7 Å²	139.7	77%	0.773	80%	0.796	S	S	*	*			trans	-96.5	164.2	178.7	39.8	-35.9	0	0	0	114.2
143	F	36.9	Very low	34.4	Very low	218 Å²	218	141 Å²	141	96%	0.956	80%	0.795	S	S	*	*			trans	-113	136.7	164.2	-93.8	-91.2	0	0	0	112.1
144	A	32.4	Very low	34.2	Very low	88 Å²	88	140.8 Å²	140.8	73%	0.727	79%	0.794	S	S	*	*			trans	-106.4	150.4	173.8	0	0	0	0	0	110.8
145	L	35.3	Very low	34.1	Very low	178 Å²	178	142.9 Å²	142.9	93%	0.932	80%	0.798	S	S	*	*			trans	-129	145	166	-73.1	176.3	0	0	0	110.2
146	T	35	Very low	33.7	Very low	129 Å²	129	145 Å²	145	79%	0.791	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-103.6	160	-163.1	43.3	0	0	0	0	113
147	P	31.8	Very low	33.5	Very low	116 Å²	116	144.4 Å²	144.4	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.3	133.1	-175.7	32.8	-34.2	0	0	0	113
148	S	33.2	Very low	33.3	Very low	128 Å²	128	143 Å²	143	90%	0.895	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.2	128.1	170	-70.4	0	0	0	0	111.9
149	V	31	Very low	33.1	Very low	121 Å²	121	144 Å²	144	73%	0.733	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-98.4	128.2	173.8	174.7	0	0	0	0	109.5
150	L	31.6	Very low	33.1	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	81%	0.81	S	S	*	*			trans	-98.4	113.1	164.3	-73.3	176.6	0	0	0	110
151	K	30.7	Very low	32.7	Very low	171 Å²	171	148.1 Å²	148.1	74%	0.743	81%	0.807	S	S	*	*			trans	-83.8	144.3	163.3	-74.1	179.8	175.3	177.7	0	109.4
152	F	29.1	Very low	32.4	Very low	196 Å²	196	146.2 Å²	146.2	86%	0.86	81%	0.808	S	S	*	*			trans	-118.2	114.1	150.1	-92	-87	0	0	0	108.2
153	N	28.5	Very low	32.3	Very low	118 Å²	118	145.8 Å²	145.8	63%	0.631	81%	0.808	S	S	*	*			trans	-91.3	146.1	159.7	-80.2	24.2	0	0	0	108
154	V	33.1	Very low	32.3	Very low	140 Å²	140	141.3 Å²	141.3	85%	0.848	80%	0.801	S	S	*	*			trans	-134.7	129.8	155.7	176.4	0	0	0	0	105.8
155	D	32.8	Very low	32.3	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	81%	0.805	S	S	*	*			trans	-86.3	162.7	-160.3	-69.2	-63.1	0	0	0	115.6
156	T	28.9	Very low	32.1	Very low	138 Å²	138	141.9 Å²	141.9	85%	0.847	80%	0.801	S	S	*	*			trans	-72.7	146.9	-175.8	43.1	0	0	0	0	114.8
157	S	33.9	Very low	32.1	Very low	124 Å²	124	141.3 Å²	141.3	87%	0.867	80%	0.803	S	S	*	*			trans	-138.9	132	149	-169.7	0	0	0	0	111.2
158	T	30.5	Very low	32.2	Very low	120 Å²	120	142.9 Å²	142.9	74%	0.736	81%	0.805	S	S	*	*			trans	-90	148.4	-168.4	35.9	0	0	0	0	113.8
159	K	35.2	Very low	32.4	Very low	194 Å²	194	144.8 Å²	144.8	84%	0.843	81%	0.805	S	S	*	*				-175.7	118.3	114.8	-99.4	162.8	-174.2	176.1	0	115.7
160	K	35	Very low	32.4	Very low	182 Å²	182	146 Å²	146	79%	0.791	81%	0.807	S	S	*	*			trans	34.8	119.3	140.9	-63.2	-173.3	176.3	-175	0	122.3
161	N	30.2	Very low	32.5	Very low	147 Å²	147	147.7 Å²	147.7	79%	0.786	81%	0.808	S	S	*	*				53.6	124.2	123.9	-51.2	10.3	0	0	0	121.5
162	V	32.6	Very low	32.5	Very low	143 Å²	143	147.1 Å²	147.1	87%	0.867	81%	0.806	S	S	*	*				-170.4	159.7	108.5	145.5	0	0	0	0	108.8
163	S	30.4	Very low	32.5	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	80%	0.804	S	S	*	*			trans	-115.7	-169.4	-172	-41.5	0	0	0	0	112
164	P	37.4	Very low	32.6	Very low	124 Å²	124	141.5 Å²	141.5	81%	0.805	81%	0.805	S	S	*	*				-120.8	166.7	-116.9	38.5	-21	0	0	0	115.7
165	S	32.1	Very low	32.5	Very low	116 Å²	116	143.9 Å²	143.9	81%	0.811	80%	0.804	S	S	*	*			trans	-164.3	162	155.3	44.2	0	0	0	0	113.4
166	D	30.3	Very low	32.6	Very low	162 Å²	162	143.2 Å²	143.2	87%	0.866	80%	0.8	S	S	*	*			trans	-61.2	148.9	-168.5	-43.4	-63.6	0	0	0	117.6
167	S	37	Very low	32.8	Very low	118 Å²	118	144.6 Å²	144.6	83%	0.825	80%	0.797	S	S	*	*			trans	-162.6	140.6	140.3	60.9	0	0	0	0	111.8
168	D	33.1	Very low	32.6	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	79%	0.789	S	S	*	*			trans	-78.4	155.2	178.1	-61	-82.3	0	0	0	113.3
169	D	36.3	Very low	33	Very low	168 Å²	168	143.7 Å²	143.7	90%	0.898	79%	0.792	S	S	*	*			trans	-144.9	129.4	161.5	-110.5	-40.3	0	0	0	111.1
170	N	32.7	Very low	32.9	Very low	145 Å²	145	145 Å²	145	78%	0.775	79%	0.792	S	S	*	*			trans	-128.3	115.2	-177.7	-93.7	-68.9	0	0	0	111.1
171	F	33	Very low	33.2	Very low	199 Å²	199	141.1 Å²	141.1	87%	0.873	79%	0.794	S	S	*	*			trans	-155.8	136	173.3	-129.6	-113.3	0	0	0	108.2
172	F	29.8	Very low	33.5	Very low	159 Å²	159	140.7 Å²	140.7	70%	0.697	79%	0.791	S	S	*	*			cis	-160.4	162.3	-0.9	176.8	-95.3	0	0	0	109.1
173	T	29.7	Very low	34.1	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	80%	0.795	S	S	*	*			trans	-136.1	146.9	177.4	52.6	0	0	0	0	114.2
174	G	31	Very low	34.4	Very low	63 Å²	63	142.1 Å²	142.1	65%	0.649	79%	0.791	S	S	*	*			trans	154.3	148.6	-176.6	0	0	0	0	0	108.1
175	F	30.9	Very low	34.3	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.833	79%	0.788	S	S	*	*			cis	-155.1	161.8	17.1	-91.6	177.6	0	0	0	106.9
176	L	33.9	Very low	34.5	Very low	124 Å²	124	143.8 Å²	143.8	65%	0.649	78%	0.784	S	S	*	*			cis	-152.2	166.2	-7.2	-90.3	153	0	0	0	104.1
177	E	33.1	Very low	34.8	Very low	168 Å²	168	143 Å²	143	79%	0.785	78%	0.778	S	S	*	*				52.9	137	60	-67.7	-158.7	121.3	0	0	114.4
178	S	31	Very low	34.9	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	77%	0.774	S	S	*	*			cis	179.2	-165.9	-2.7	-122.3	0	0	0	0	104.7
179	P	38.6	Very low	35.1	Very low	125 Å²	125	139.9 Å²	139.9	81%	0.812	77%	0.769	S	S	*	*			cis	-132	-165.1	10.6	42.2	-22.5	0	0	0	115.2
180	R	33	Very low	35.3	Very low	223 Å²	223	138 Å²	138	84%	0.842	77%	0.768	S	S	*	*			trans	-97	173.7	-173.7	-56	177.2	-179.3	129.4	2.6	113.8
181	A	42.2	Very low	35.6	Very low	100 Å²	100	134 Å²	134	83%	0.826	76%	0.762	S	S	*	*			trans	-138.2	134.6	149.2	0	0	0	0	0	109.8
182	D	35.1	Very low	35.9	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	75%	0.754	S	S	*	*			trans	-117.7	149.9	177.7	-70.5	-73.3	0	0	0	109.8
183	V	45.9	Very low	36.4	Very low	155 Å²	155	128 Å²	128	94%	0.939	75%	0.754	S	S	*	*			trans	-140.1	148.7	171	-176.3	0	0	0	0	109.6
184	D	36.2	Very low	36.9	Very low	126 Å²	126	130.2 Å²	130.2	67%	0.674	75%	0.752	S	S	*	*			trans	-96.7	171	-149.2	-126.8	-51.6	0	0	0	117.8
185	K	35.3	Very low	37.3	Very low	170 Å²	170	136.4 Å²	136.4	74%	0.739	76%	0.761	S	S	*	*			trans	-34.6	159.4	171.4	-61.4	163.8	-161.7	85.1	0	117.1
186	S	36.2	Very low	37.8	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	75%	0.754	S	S	*	*				164.8	167.8	90.7	58	0	0	0	0	117.7
187	I	37.7	Very low	38.1	Very low	144 Å²	144	134.1 Å²	134.1	74%	0.738	77%	0.765	S	S	*	*			trans	76.3	93.7	157.7	-48.6	-168.1	0	0	0	121.4
188	S	37.8	Very low	38.2	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	76%	0.761	S	S	*	*			trans	68.6	170.2	131.7	97.7	0	0	0	0	120.7
189	S	38	Very low	38.7	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	77%	0.769	S	S	*	*			cis	-170.3	165.2	-38.1	58.2	0	0	0	0	111.3
190	S	40.3	Very low	38.6	Very low	127 Å²	127	134 Å²	134	89%	0.888	77%	0.77	S	S	*	*			trans	67.3	154.5	175.4	81	0	0	0	0	116.9
191	G	38.3	Very low	38.7	Very low	62 Å²	62	127.9 Å²	127.9	64%	0.639	77%	0.767	S	S	*	*			cis	-166.4	114.8	-4	0	0	0	0	0	115.1
192	S	40	Very low	38.4	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	77%	0.771	S	S	*	*			trans	34.1	126.3	140.1	61.4	0	0	0	0	122.6
193	N	39.6	Very low	38.4	Very low	131 Å²	131	135.5 Å²	135.5	70%	0.701	78%	0.777	S	S	*	*				151.9	155.5	117.6	-80.1	-41.2	0	0	0	113.1
194	K	40.5	Very low	37.8	Very low	179 Å²	179	134.2 Å²	134.2	78%	0.778	77%	0.77	S	S	*	*			cis	-173.4	165.1	-36.9	-132.3	179.6	-162.4	161	0	109.2
195	K	40.1	Very low	37.8	Very low	194 Å²	194	133.2 Å²	133.2	84%	0.843	77%	0.772	S	S	*	*			trans	72.7	150.3	167.5	-62.1	174.2	-178.5	-179.7	0	116.8
196	S	40.5	Very low	37.5	Very low	99 Å²	99	133.2 Å²	133.2	69%	0.692	78%	0.781	S	S	*	*			cis	-168.2	156.6	-20.5	49	0	0	0	0	112.4
197	L	40.1	Very low	37.5	Very low	167 Å²	167	133.2 Å²	133.2	87%	0.874	78%	0.781	S	S	*	*			trans	16.3	141.1	149.9	-78.6	54.8	0	0	0	120.5
198	G	36.8	Very low	37.2	Very low	67 Å²	67	134 Å²	134	69%	0.691	78%	0.784	S	S	*	*			cis	143.9	162.5	-5.9	0	0	0	0	0	114.6
199	Q	40.5	Very low	37	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.874	78%	0.784	S	S	*	*			trans	65.6	155.6	171.5	-45.3	-175	9.1	0	0	115.5
200	T	37.1	Very low	36.8	Very low	134 Å²	134	140.3 Å²	140.3	82%	0.822	79%	0.792	S	S	*	*			cis	-122.5	178.9	2.3	46.4	0	0	0	0	112
201	A	34.9	Very low	36.4	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	78%	0.781	S	S	*	*			trans	-89.5	155.5	-169	0	0	0	0	0	115.3
202	N	36.6	Very low	36.2	Very low	171 Å²	171	144.9 Å²	144.9	91%	0.914	79%	0.793	S	S	*	*			trans	-146.9	158.2	145.5	-123.7	-37.2	0	0	0	111.6
203	R	34.5	Very low	35.8	Very low	227 Å²	227	147.2 Å²	147.2	86%	0.857	80%	0.803	S	S	*	*			trans	-89.9	162.8	-165.6	-79.2	178.8	162.7	175	-5	114.9
204	T	33.4	Very low	35.4	Very low	129 Å²	129	144.5 Å²	144.5	79%	0.791	81%	0.805	S	S	*	*			trans	94.6	146.2	146.5	-13.5	0	0	0	0	119.2
205	S	35.8	Very low	35.3	Very low	104 Å²	104	139.2 Å²	139.2	73%	0.727	79%	0.791	S	S	*	*			trans	82.7	82.7	155.6	-57.3	0	0	0	0	119.6	S207	S205-S207 PolarHBondContact O-N 3.07Å
206	N	30	Very low	35.5	Very low	170 Å²	170	134.5 Å²	134.5	91%	0.909	78%	0.782	S	S	*	*			trans	1.9	108.2	145.3	-62.7	-14.9	0	0	0	117.5
207	S	34.9	Very low	36.1	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	77%	0.774	S	S	*	*			trans	-126.4	89.9	161.1	-173.1	0	0	0	0	109.8	S205 I209	S205-S207 PolarHBondContact O-N 3.07Å; S207-I209 PolarHBondContact O-N 3.27Å
208	I	32.6	Very low	36.8	Very low	160 Å²	160	130.3 Å²	130.3	82%	0.821	75%	0.753	S	S	*	*			trans	-74.5	107.8	167.8	-64.4	177	0	0	0	106.9	K210	I208-K210 PolarHBondContact O-N 3.27Å
209	I	33.2	Very low	37.6	Very low	145 Å²	145	130.6 Å²	130.6	74%	0.744	74%	0.739	S	S	*	*			trans	-63.6	105.9	176.7	-62.5	175.2	0	0	0	108.5	S207 S211	S207-I209 PolarHBondContact O-N 3.27Å; I209-S211 PolarHBondContact O-N 2.98Å; I209-S211 VanDerWaalsContact O-N 3.07Å
210	K	33	Very low	38.8	Very low	191 Å²	191	126.9 Å²	126.9	83%	0.83	72%	0.721	S	S	*	*			trans	-74.6	90.4	166.5	-75.2	179.6	176.6	173.5	0	108.9	I208	I208-K210 PolarHBondContact O-N 3.27Å
211	S	33.3	Very low	40.3	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	71%	0.707	S	S	*	*			trans	-57.4	145.2	157.7	47.9	0	0	0	0	109.6	I209 V213	I209-S211 PolarHBondContact O-N 2.98Å; I209-S211 VanDerWaalsContact O-N 3.07Å; S211-V213 PolarHBondContact O-N 2.8Å; S211-V213 VanDerWaalsContact O-N 3.12Å
212	H	32.3	Very low	41.2	Very low	191 Å²	191	122.9 Å²	122.9	88%	0.884	69%	0.687	S	S	*	*			trans	-68.7	108	-179.5	-92.7	-136.3	0	0	0	110.7	G214	H212-G214 PolarHBondContact O-N 3.01Å; H212-G214 VanDerWaalsContact O-N 3.1Å
213	V	33.3	Very low	42.4	Very low	150 Å²	150	118.8 Å²	118.8	91%	0.909	66%	0.662	S	S	*	*			trans	-77	92.9	162.1	-179.3	0	0	0	0	107.5	S211	S211-V213 PolarHBondContact O-N 2.8Å; S211-V213 VanDerWaalsContact O-N 3.12Å
214	G	30.8	Very low	44.1	Very low	73 Å²	73	111.4 Å²	111.4	75%	0.753	64%	0.64	S	S	*	*			trans	-154.5	47.7	-167.9	0	0	0	0	0	113.8	H212	H212-G214 PolarHBondContact O-N 3.01Å; H212-G214 VanDerWaalsContact O-N 3.1Å
215	S	38.2	Very low	45.7	Very low	69 Å²	69	110.3 Å²	110.3	48%	0.483	62%	0.624	S	S	.	*			trans	-132.8	136.1	170.4	-176.3	0	0	0	0	106.6	D217	S215-D217 WeakPolarHBondContact CB-OD1 3.42Å; S215-D217 PolarHBondContact OG-OD1 2.9Å
216	S	44.5	Very low	46.6	Very low	95 Å²	95	107.5 Å²	107.5	66%	0.664	60%	0.601	S	S	*	*			cis	81.2	1	46.4	-149.9	0	0	0	0	115.2	D218	S216-D218 PolarHBondContact O-N 3.48Å
217	D	52.1	Low	48.4	Very low	96 Å²	96	104.5 Å²	104.5	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-80.8	-18.6	-169.2	-48.2	-15.3	0	0	0	114.5	S215 D219 E220 A221	S215-D217 WeakPolarHBondContact CB-OD1 3.42Å; S215-D217 PolarHBondContact OG-OD1 2.9Å; D217-D219 VanDerWaalsContact C-N 3.27Å; D217-D219 PolarHBondContact O-N 2.99Å; D217-E220 PolarHBondContact O-N 3.2Å; D217-A221 WeakPolarHBondContact O-CB 3.27Å; D217-A221 PolarHBondContact O-N 3.18Å
218	D	56.1	Low	49.9	Very low	82 Å²	82	102 Å²	102	44%	0.439	56%	0.562	S	S	.	*	H	α-helix	trans	-67.4	-26	-179.9	-79	-3.7	0	0	0	112.2	S216 R406	S216-D218 PolarHBondContact O-N 3.48Å; D218-R406 IonicContact OD1-NH1 2.65Å; D218-R406 IonicContact OD2-NH1 2.75Å
219	D	51.9	Low	50.7	Low	73 Å²	73	96.7 Å²	96.7	39%	0.39	53%	0.534	S	S	.	.	H	α-helix	trans	-82.3	-50	172.2	-84.8	-78.4	0	0	0	110.8	D217 A221 F222 E223 R407	D217-D219 VanDerWaalsContact C-N 3.27Å; D217-D219 PolarHBondContact O-N 2.99Å; D219-A221 VanDerWaalsContact C-N 3.32Å; D219-A221 PolarHBondContact O-N 3.23Å; D219-F222 PolarHBondContact O-N 3.07Å; D219-F222 VanDerWaalsContact O-N 3.08Å; D219-E223 PolarHBondContact O-N 3.09Å; D219-R407 VanDerWaalsContact CG-CZ 3.4Å; D219-R407 IonicContact OD1-CZ 3.73Å; D219-R407 IonicContact OD1-NH1 3.53Å; D219-R407 PolarHBondContact OD1-NH1 3.21Å; D219-R407 IonicContact OD1-NH2 2.69Å; D219-R407 PolarHBondContact OD1-NH2 3.46Å; D219-R407 IonicContact OD2-CZ 2.62Å; D219-R407 IonicContact OD2-NE 2.91Å; D219-R407 IonicContact OD2-NH1 3.76Å; D219-R407 PolarHBondContact OD2-NH1 2.86Å; D219-R407 IonicContact OD2-NH2 2.96Å; D219-R407 PolarHBondContact OD2-NH2 3.31Å
220	E	67.6	Low	51.4	Low	109 Å²	109	93.3 Å²	93.3	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-34.9	-178.8	-176.9	171	173.1	0	0	112.5	D217 F222 E223 N224	D217-E220 PolarHBondContact O-N 3.2Å; E220-F222 VanDerWaalsContact C-N 3.33Å; E220-F222 PolarHBondContact O-N 2.85Å; E220-E223 PolarHBondContact O-N 3.37Å; E220-N224 VanDerWaalsContact CG-ND2 3.35Å; E220-N224 WeakPolarHBondContact CG-ND2 3.32Å; E220-N224 WeakPolarHBondContact O-CB 3.44Å; E220-N224 PolarHBondContact O-N 2.82Å; E220-N224 PolarHBondContact O-ND2 3.1Å; E220-N224 PolarHBondContact OE1-ND2 3Å
221	A	68	Low	52	Low	64 Å²	64	88.1 Å²	88.1	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-33.4	173.7	0	0	0	0	0	112.6	D217 D219 F225	D217-A221 WeakPolarHBondContact O-CB 3.27Å; D217-A221 PolarHBondContact O-N 3.18Å; D219-A221 VanDerWaalsContact C-N 3.32Å; D219-A221 PolarHBondContact O-N 3.23Å; A221-F225 VanDerWaalsContact O-CB 3.27Å; A221-F225 WeakPolarHBondContact O-CB 3.44Å; A221-F225 PolarHBondContact O-N 3.02Å
222	F	52.6	Low	52.9	Low	81 Å²	81	89.6 Å²	89.6	36%	0.355	50%	0.496	S	S	.	.	H	α-helix	trans	-73.8	-43.9	174.1	-176	-110.6	0	0	0	111.1	D219 E220 N224 F225 L226	D219-F222 PolarHBondContact O-N 3.07Å; D219-F222 VanDerWaalsContact O-N 3.08Å; E220-F222 VanDerWaalsContact C-N 3.33Å; E220-F222 PolarHBondContact O-N 2.85Å; F222-N224 VanDerWaalsContact C-N 3.34Å; F222-N224 PolarHBondContact O-N 2.88Å; F222-F225 HydrophobicContact CD2-CD1 4.41Å; F222-F225 HydrophobicContact CE2-CD1 4.4Å; F222-F225 WeakPolarHBondContact O-CB 3.45Å; F222-F225 PolarHBondContact O-N 3.1Å; F222-L226 HydrophobicContact CD1-CD1 4.13Å; F222-L226 HydrophobicContact CD1-CG 4.38Å; F222-L226 HydrophobicContact CE1-CD1 3.58Å; F222-L226 HydrophobicContact CE1-CD2 4.45Å; F222-L226 HydrophobicContact CE1-CG 4.01Å; F222-L226 HydrophobicContact CE2-CD2 4.31Å; F222-L226 HydrophobicContact CE2-CG 4.41Å; F222-L226 HydrophobicContact CZ-CD1 3.95Å; F222-L226 HydrophobicContact CZ-CD2 3.98Å; F222-L226 HydrophobicContact CZ-CG 4.02Å; F222-L226 WeakPolarHBondContact O-CG 3.45Å; F222-L226 PolarHBondContact O-N 2.85Å
223	E	63.2	Low	53.5	Low	85 Å²	85	84.8 Å²	84.8	40%	0.397	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-38.9	174.1	-78.3	-60.4	126.3	0	0	112.6	D219 E220 L226 K227	D219-E223 PolarHBondContact O-N 3.09Å; E220-E223 PolarHBondContact O-N 3.37Å; E223-L226 PolarHBondContact O-N 3.15Å; E223-K227 VanDerWaalsContact O-CB 3.31Å; E223-K227 WeakPolarHBondContact O-CB 3.46Å; E223-K227 WeakPolarHBondContact O-CD 3.37Å; E223-K227 WeakPolarHBondContact O-CG 3.44Å; E223-K227 PolarHBondContact O-N 2.8Å; E223-K227 IonicContact OE2-NZ 3.99Å
224	N	69.6	Low	54	Low	71 Å²	71	83 Å²	83	38%	0.38	46%	0.461	S	S	.	.	H	α-helix	trans	-76.8	-25.9	176.7	-68.3	-16	0	0	0	112.1	E220 F222 S228	E220-N224 VanDerWaalsContact CG-ND2 3.35Å; E220-N224 WeakPolarHBondContact CG-ND2 3.32Å; E220-N224 WeakPolarHBondContact O-CB 3.44Å; E220-N224 PolarHBondContact O-N 2.82Å; E220-N224 PolarHBondContact O-ND2 3.1Å; E220-N224 PolarHBondContact OE1-ND2 3Å; F222-N224 VanDerWaalsContact C-N 3.34Å; F222-N224 PolarHBondContact O-N 2.88Å; N224-S228 VanDerWaalsContact O-CB 3.26Å; N224-S228 WeakPolarHBondContact O-CB 3.36Å; N224-S228 PolarHBondContact O-N 3.22Å; N224-S228 PolarHBondContact O-OG 3.42Å
225	F	66.7	Low	54.8	Low	107 Å²	107	88.1 Å²	88.1	47%	0.469	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-47.9	165	171.8	-102	0	0	0	111.5	A221 F222 S228 Q229	A221-F225 VanDerWaalsContact O-CB 3.27Å; A221-F225 WeakPolarHBondContact O-CB 3.44Å; A221-F225 PolarHBondContact O-N 3.02Å; F222-F225 HydrophobicContact CD2-CD1 4.41Å; F222-F225 HydrophobicContact CE2-CD1 4.4Å; F222-F225 WeakPolarHBondContact O-CB 3.45Å; F222-F225 PolarHBondContact O-N 3.1Å; F225-S228 WeakPolarHBondContact CA-OG 3.36Å; F225-S228 PolarHBondContact O-N 3.4Å; F225-S228 PolarHBondContact O-OG 3.06Å; F225-Q229 HydrophobicContact CD2-CG 4.48Å; F225-Q229 HydrophobicContact CE2-CG 4.07Å; F225-Q229 HydrophobicContact CZ-CG 4.11Å; F225-Q229 WeakPolarHBondContact O-CG 3.41Å; F225-Q229 PolarHBondContact O-N 3.43Å
226	L	55.4	Low	55.2	Low	44 Å²	44	91.8 Å²	91.8	23%	0.23	48%	0.476	C	S	.	.	H	α-helix	trans	-60.9	-47.7	175.8	-69.2	-172.7	0	0	0	111.3	F222 E223 Q229 Q230 W244	F222-L226 HydrophobicContact CD1-CD1 4.13Å; F222-L226 HydrophobicContact CD1-CG 4.38Å; F222-L226 HydrophobicContact CE1-CD1 3.58Å; F222-L226 HydrophobicContact CE1-CD2 4.45Å; F222-L226 HydrophobicContact CE1-CG 4.01Å; F222-L226 HydrophobicContact CE2-CD2 4.31Å; F222-L226 HydrophobicContact CE2-CG 4.41Å; F222-L226 HydrophobicContact CZ-CD1 3.95Å; F222-L226 HydrophobicContact CZ-CD2 3.98Å; F222-L226 HydrophobicContact CZ-CG 4.02Å; F222-L226 WeakPolarHBondContact O-CG 3.45Å; F222-L226 PolarHBondContact O-N 2.85Å; E223-L226 PolarHBondContact O-N 3.15Å; L226-Q229 PolarHBondContact O-N 3.42Å; L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.87Å; L226-W244 HydrophobicContact CD1-CH2 4.22Å; L226-W244 HydrophobicContact CD2-CH2 4.06Å
227	K	67	Low	54.7	Low	108 Å²	108	91.7 Å²	91.7	47%	0.47	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-42.7	177.1	-70.5	161.9	-164.5	165.5	0	112.4	E223 Q230 T231	E223-K227 VanDerWaalsContact O-CB 3.31Å; E223-K227 WeakPolarHBondContact O-CB 3.46Å; E223-K227 WeakPolarHBondContact O-CD 3.37Å; E223-K227 WeakPolarHBondContact O-CG 3.44Å; E223-K227 PolarHBondContact O-N 2.8Å; E223-K227 IonicContact OE2-NZ 3.99Å; K227-Q230 CarbonylContact O-C 3.55Å; K227-Q230 PolarHBondContact O-N 3.16Å; K227-T231 WeakPolarHBondContact O-CG2 3.3Å; K227-T231 PolarHBondContact O-N 2.84Å; K227-T231 PolarHBondContact O-OG1 2.87Å
228	S	67.1	Low	53.9	Low	54 Å²	54	93.1 Å²	93.1	38%	0.378	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-46.7	178	52.7	0	0	0	0	111.4	N224 F225 Q230 T231 E232	N224-S228 VanDerWaalsContact O-CB 3.26Å; N224-S228 WeakPolarHBondContact O-CB 3.36Å; N224-S228 PolarHBondContact O-N 3.22Å; N224-S228 PolarHBondContact O-OG 3.42Å; F225-S228 WeakPolarHBondContact CA-OG 3.36Å; F225-S228 PolarHBondContact O-N 3.4Å; F225-S228 PolarHBondContact O-OG 3.06Å; S228-Q230 VanDerWaalsContact C-N 3.34Å; S228-Q230 PolarHBondContact O-N 2.97Å; S228-T231 WeakPolarHBondContact CA-OG1 3.01Å; S228-T231 PolarHBondContact O-N 3.38Å; S228-T231 VanDerWaalsContact O-N 3.16Å; S228-T231 PolarHBondContact O-OG1 3.06Å; S228-E232 PolarHBondContact O-N 3.03Å
229	Q	49.8	Very low	52.7	Low	47 Å²	47	96.4 Å²	96.4	22%	0.22	51%	0.511	C	S	.	.	H	α-helix	trans	-59.2	-40.6	172.2	-70.4	-63.7	-83.4	0	0	112.6	F225 L226 E232 I233 R420	F225-Q229 HydrophobicContact CD2-CG 4.48Å; F225-Q229 HydrophobicContact CE2-CG 4.07Å; F225-Q229 HydrophobicContact CZ-CG 4.11Å; F225-Q229 WeakPolarHBondContact O-CG 3.41Å; F225-Q229 PolarHBondContact O-N 3.43Å; L226-Q229 PolarHBondContact O-N 3.42Å; Q229-E232 PolarHBondContact NE2-OE2 2.89Å; Q229-E232 PolarHBondContact O-N 2.92Å; Q229-I233 WeakPolarHBondContact O-CG1 3.38Å; Q229-I233 PolarHBondContact O-N 3.17Å; Q229-R420 VanDerWaalsContact OE1-NH2 3.11Å
230	Q	46.3	Very low	52	Low	74 Å²	74	101.9 Å²	101.9	35%	0.346	53%	0.534	S	S	.	.	H	α-helix	trans	-68.5	-32.1	176	-161.9	65.9	47	0	0	112.7	L226 K227 S228 I233 N234	L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.87Å; K227-Q230 CarbonylContact O-C 3.55Å; K227-Q230 PolarHBondContact O-N 3.16Å; S228-Q230 VanDerWaalsContact C-N 3.34Å; S228-Q230 PolarHBondContact O-N 2.97Å; Q230-I233 PolarHBondContact O-N 2.78Å; Q230-N234 PolarHBondContact NE2-OD1 3.25Å; Q230-N234 WeakPolarHBondContact O-CB 3.19Å; Q230-N234 PolarHBondContact O-N 2.86Å; Q230-N234 PolarHBondContact O-OD1 2.82Å
231	T	45.8	Very low	50.3	Low	83 Å²	83	104.7 Å²	104.7	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-78.8	-22.4	175.5	57.1	0	0	0	0	114.1	K227 S228 K235	K227-T231 WeakPolarHBondContact O-CG2 3.3Å; K227-T231 PolarHBondContact O-N 2.84Å; K227-T231 PolarHBondContact O-OG1 2.87Å; S228-T231 WeakPolarHBondContact CA-OG1 3.01Å; S228-T231 PolarHBondContact O-N 3.38Å; S228-T231 VanDerWaalsContact O-N 3.16Å; S228-T231 PolarHBondContact O-OG1 3.06Å; T231-K235 WeakPolarHBondContact O-CG 3.42Å
232	E	52.1	Low	48.9	Very low	126 Å²	126	106.6 Å²	106.6	59%	0.589	56%	0.562	S	S	*	*	H	α-helix	trans	-67.7	-40.9	164.6	-88.5	-175.6	138.9	0	0	110.7	S228 Q229	S228-E232 PolarHBondContact O-N 3.03Å; Q229-E232 PolarHBondContact NE2-OE2 2.89Å; Q229-E232 PolarHBondContact O-N 2.92Å
233	I	45	Very low	48.3	Very low	90 Å²	90	112 Å²	112	46%	0.462	59%	0.588	S	S	.	*	H	α-helix	trans	-66.8	-53.5	176.8	-67.4	164.4	0	0	0	110.8	Q229 Q230 K235 L236	Q229-I233 WeakPolarHBondContact O-CG1 3.38Å; Q229-I233 PolarHBondContact O-N 3.17Å; Q230-I233 PolarHBondContact O-N 2.78Å; I233-K235 PolarHBondContact O-N 3.4Å; I233-L236 PolarHBondContact O-N 3.17Å
234	N	43.5	Very low	47	Very low	113 Å²	113	116.2 Å²	116.2	60%	0.604	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-0.9	-173.9	-66.4	10	0	0	0	114.5	Q230	Q230-N234 PolarHBondContact NE2-OD1 3.25Å; Q230-N234 WeakPolarHBondContact O-CB 3.19Å; Q230-N234 PolarHBondContact O-N 2.86Å; Q230-N234 PolarHBondContact O-OD1 2.82Å
235	K	48.1	Very low	45.2	Very low	180 Å²	180	117.4 Å²	117.4	78%	0.783	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-5.7	170	-84.4	-179.1	175	178.7	0	113.6	T231 I233	T231-K235 WeakPolarHBondContact O-CG 3.42Å; I233-K235 PolarHBondContact O-N 3.4Å
236	L	46.3	Very low	43.8	Very low	145 Å²	145	115.6 Å²	115.6	76%	0.759	62%	0.615	S	S	*	*	S	Bend	trans	-129.5	102	-177	-67.1	173.6	0	0	0	110.9	I233	I233-L236 PolarHBondContact O-N 3.17Å
237	A	34.8	Very low	42.8	Very low	94 Å²	94	124.3 Å²	124.3	78%	0.777	65%	0.645	S	S	*	*			trans	70.8	169.4	-178.8	0	0	0	0	0	116.1
238	V	35.2	Very low	41.4	Very low	125 Å²	125	125.2 Å²	125.2	76%	0.758	66%	0.655	S	S	*	*			trans	-139.6	144.8	-157.7	166.3	0	0	0	0	110.6
239	N	31.8	Very low	39.9	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	67%	0.668	S	S	*	*			trans	81.2	146.9	175.1	-61.7	-29.1	0	0	0	118.8
240	Q	36.6	Very low	39.2	Very low	188 Å²	188	132.1 Å²	132.1	88%	0.879	70%	0.697	S	S	*	*			trans	80	130.6	172.9	-57.6	-169.1	-6.4	0	0	117.4
241	D	32.3	Very low	38.9	Very low	169 Å²	169	135.8 Å²	135.8	90%	0.904	72%	0.719	S	S	*	*			trans	-83.9	132.2	-166.6	-49.2	-89.7	0	0	0	112.6
242	S	38.2	Very low	38.3	Very low	103 Å²	103	139.4 Å²	139.4	72%	0.72	74%	0.735	S	S	*	*			trans	-93.3	109.9	174	61.6	0	0	0	0	111.1	W244	S242-W244 PolarHBondContact O-N 3.02Å; S242-W244 VanDerWaalsContact O-N 3.09Å
243	E	40.5	Very low	37.6	Very low	196 Å²	196	139.5 Å²	139.5	92%	0.916	74%	0.739	S	S	*	*			trans	-63.1	106	-179.2	-169	177.6	-179.3	0	0	112	S245	E243-S245 PolarHBondContact O-N 3.34Å
244	W	34.8	Very low	36.9	Very low	173 Å²	173	147 Å²	147	66%	0.655	76%	0.762	S	S	*	*			trans	-84.5	105.8	-179.9	179.8	-68.5	0	0	0	110.5	L226 S242 S246	L226-W244 HydrophobicContact CD1-CH2 4.22Å; L226-W244 HydrophobicContact CD2-CH2 4.06Å; S242-W244 PolarHBondContact O-N 3.02Å; S242-W244 VanDerWaalsContact O-N 3.09Å; W244-S246 VanDerWaalsContact C-N 3.32Å; W244-S246 VanDerWaalsContact CD1-CB 3.48Å; W244-S246 VanDerWaalsContact CD1-N 3.29Å; W244-S246 VanDerWaalsContact NE1-CB 3.27Å; W244-S246 PolarHBondContact NE1-OG 3.18Å; W244-S246 PolarHBondContact O-N 3.26Å
245	S	32.3	Very low	36.5	Very low	96 Å²	96	146.1 Å²	146.1	67%	0.671	76%	0.764	S	S	*	*			trans	-82.5	68.7	176.3	63.6	0	0	0	0	112.5	E243 W247	E243-S245 PolarHBondContact O-N 3.34Å; S245-W247 PolarHBondContact O-N 2.9Å
246	S	36.8	Very low	35.7	Very low	69 Å²	69	143.5 Å²	143.5	48%	0.483	77%	0.769	S	S	.	*			trans	-75.7	97.7	166	-123.1	0	0	0	0	108.2	W244 D248	W244-S246 VanDerWaalsContact C-N 3.32Å; W244-S246 VanDerWaalsContact CD1-CB 3.48Å; W244-S246 VanDerWaalsContact CD1-N 3.29Å; W244-S246 VanDerWaalsContact NE1-CB 3.27Å; W244-S246 PolarHBondContact NE1-OG 3.18Å; W244-S246 PolarHBondContact O-N 3.26Å; S246-D248 VanDerWaalsContact C-N 3.32Å; S246-D248 PolarHBondContact O-N 2.79Å
247	W	35.3	Very low	35	Very low	227 Å²	227	141 Å²	141	86%	0.86	76%	0.763	S	S	*	*			trans	-100.4	55.4	177.7	-75.5	29.3	0	0	0	110.3	S245 S249	S245-W247 PolarHBondContact O-N 2.9Å; W247-S249 PolarHBondContact O-N 3.4Å
248	D	36.3	Very low	35	Very low	127 Å²	127	140.9 Å²	140.9	68%	0.679	75%	0.749	S	S	*	*			trans	-59.4	124.2	155.7	-73.3	-72.1	0	0	0	107.6	S246 D250	S246-D248 VanDerWaalsContact C-N 3.32Å; S246-D248 PolarHBondContact O-N 2.79Å; D248-D250 PolarHBondContact O-N 2.96Å
249	S	36.5	Very low	35.2	Very low	94 Å²	94	137.4 Å²	137.4	66%	0.657	73%	0.73	S	S	*	*			trans	-85.8	60.6	-169.5	-61.4	0	0	0	0	112.3	W247 N251	W247-S249 PolarHBondContact O-N 3.4Å; S249-N251 PolarHBondContact O-N 3.37Å
250	D	34.8	Very low	35.3	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	72%	0.719	S	S	*	*			trans	-71.9	104.2	170.1	-77.4	-30.2	0	0	0	109.8	D248	D248-D250 PolarHBondContact O-N 2.96Å
251	N	39.9	Very low	35.5	Very low	151 Å²	151	135.5 Å²	135.5	81%	0.807	72%	0.716	S	S	*	*			trans	-105.7	113.6	158.6	-82.5	-80.2	0	0	0	108.1	S249 D253	S249-N251 PolarHBondContact O-N 3.37Å; N251-D253 PolarHBondContact O-N 2.82Å; N251-D253 VanDerWaalsContact O-N 3.13Å
252	D	33.6	Very low	35.5	Very low	158 Å²	158	134.1 Å²	134.1	85%	0.845	71%	0.705	S	S	*	*			trans	-64.7	105.2	170.4	-105.7	-50.3	0	0	0	109.9
253	D	36.4	Very low	35.2	Very low	129 Å²	129	134.5 Å²	134.5	69%	0.69	70%	0.703	S	S	*	*			trans	-127.5	92.3	170.6	-148.3	-19.2	0	0	0	110.4	N251 S255	N251-D253 PolarHBondContact O-N 2.82Å; N251-D253 VanDerWaalsContact O-N 3.13Å; D253-S255 VanDerWaalsContact C-N 3.27Å; D253-S255 PolarHBondContact O-N 3.41Å
254	R	31.7	Very low	35	Very low	247 Å²	247	133.2 Å²	133.2	93%	0.932	69%	0.694	S	S	*	*			trans	-73.9	72.4	-178.5	-73.9	-175.6	170.9	-165.5	0.7	111.5
255	S	35	Very low	34.8	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	70%	0.698	S	S	*	*			trans	-129.6	126.1	175.5	-167.3	0	0	0	0	112.8	D253	D253-S255 VanDerWaalsContact C-N 3.27Å; D253-S255 PolarHBondContact O-N 3.41Å
256	S	30.1	Very low	34.8	Very low	126 Å²	126	138.7 Å²	138.7	88%	0.881	70%	0.703	S	S	*	*			trans	-98.6	95.4	-172.8	62.8	0	0	0	0	113
257	C	33.3	Very low	34.4	Very low	93 Å²	93	146 Å²	146	63%	0.628	72%	0.72	S	S	*	*			trans	-150.2	108.8	167.9	52.5	0	0	0	0	113.3	S259	C257-S259 PolarHBondContact O-N 2.9Å; C257-S259 VanDerWaalsContact O-N 3.16Å
258	D	33.4	Very low	34	Very low	91 Å²	91	141 Å²	141	49%	0.487	71%	0.714	S	S	.	*			trans	-71.6	106.5	167.5	-60.6	-67.1	0	0	0	110.1	G532	D258-G532 PolarHBondContact OD2-N 2.84Å; D258-G532 VanDerWaalsContact OD2-N 3.12Å
259	S	38.7	Very low	33.6	Very low	52 Å²	52	141.5 Å²	141.5	36%	0.364	72%	0.717	S	S	.	*			trans	-129.5	121.3	169.4	171.9	0	0	0	0	109.4	C257 Y261 Q262	C257-S259 PolarHBondContact O-N 2.9Å; C257-S259 VanDerWaalsContact O-N 3.16Å; S259-Y261 PolarHBondContact O-N 2.94Å; S259-Q262 VanDerWaalsContact CB-OE1 3.3Å; S259-Q262 PolarHBondContact O-N 2.96Å; S259-Q262 PolarHBondContact OG-OE1 3.16Å
260	P	35.3	Very low	33.2	Very low	88 Å²	88	144.2 Å²	144.2	57%	0.571	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-6.7	-169.8	-23.9	34.7	0	0	0	116.8	V515	P260-V515 HydrophobicContact CG-CG1 3.85Å
261	Y	40.1	Very low	33	Very low	210 Å²	210	146.3 Å²	146.3	82%	0.824	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-2.7	-171.8	-68.7	-88.4	0	0	0	114.3	S259 T263	S259-Y261 PolarHBondContact O-N 2.94Å; Y261-T263 PolarHBondContact O-N 2.95Å
262	Q	33.1	Very low	32.6	Very low	140 Å²	140	147.1 Å²	147.1	65%	0.654	73%	0.73	S	S	*	*			trans	-73	-32.5	-161	-143.1	74.9	20.4	0	0	114.9	S259 F264	S259-Q262 VanDerWaalsContact CB-OE1 3.3Å; S259-Q262 PolarHBondContact O-N 2.96Å; S259-Q262 PolarHBondContact OG-OE1 3.16Å; Q262-F264 PolarHBondContact O-N 2.87Å
263	T	31.9	Very low	32.3	Very low	112 Å²	112	147.8 Å²	147.8	69%	0.687	73%	0.727	S	S	*	*			trans	-86.6	58.2	-170.8	59.7	0	0	0	0	113.1	Y261 Y265	Y261-T263 PolarHBondContact O-N 2.95Å; T263-Y265 HydrophobicContact CG2-CD2 3.97Å; T263-Y265 HydrophobicContact CG2-CE2 3.74Å; T263-Y265 PolarHBondContact O-N 3.44Å
264	F	35.2	Very low	32.1	Very low	168 Å²	168	149.5 Å²	149.5	74%	0.737	74%	0.736	S	S	*	*			trans	-71.9	56.1	158.9	-179.9	-102.4	0	0	0	109.4	Q262 Y266	Q262-F264 PolarHBondContact O-N 2.87Å; F264-Y266 PolarHBondContact O-N 3.35Å
265	Y	31.5	Very low	31.9	Very low	185 Å²	185	142.8 Å²	142.8	73%	0.725	73%	0.726	S	S	*	*			trans	-75.3	78.4	176.7	-79.8	-55.8	0	0	0	109.8	T263	T263-Y265 HydrophobicContact CG2-CD2 3.97Å; T263-Y265 HydrophobicContact CG2-CE2 3.74Å; T263-Y265 PolarHBondContact O-N 3.44Å
266	Y	32.3	Very low	31.7	Very low	199 Å²	199	141.9 Å²	141.9	78%	0.78	73%	0.732	S	S	*	*				-179.2	99.2	125.4	-92	-63.7	0	0	0	108.4	F264 V268	F264-Y266 PolarHBondContact O-N 3.35Å; Y266-V268 PolarHBondContact O-N 3.07Å
267	R	27.1	Very low	31.6	Very low	222 Å²	222	141.8 Å²	141.8	84%	0.838	72%	0.721	S	S	*	*			trans	-64.3	124.4	158.6	-89.7	-178.5	173.2	156.9	-2.6	107.7
268	V	28.7	Very low	31.6	Very low	123 Å²	123	144.1 Å²	144.1	75%	0.745	73%	0.732	S	S	*	*			trans	177	132.5	131.5	144.9	0	0	0	0	110	Y266	Y266-V268 PolarHBondContact O-N 3.07Å
269	N	26.7	Very low	31.6	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	75%	0.75	S	S	*	*			trans	44.5	108	161.8	-58.6	-7.6	0	0	0	118.2
270	N	28.7	Very low	31.4	Very low	151 Å²	151	153.9 Å²	153.9	81%	0.807	77%	0.773	S	S	*	*				-149.9	134.9	64.4	-84	-21.3	0	0	0	113.7	L272	N270-L272 PolarHBondContact O-N 3.19Å
271	K	30.8	Very low	31.3	Very low	196 Å²	196	155.1 Å²	155.1	85%	0.852	78%	0.782	S	S	*	*			trans	-72	105.6	153.4	-89.8	-171.7	172.1	-174.3	0	108.1	H273	K271-H273 PolarHBondContact O-N 3.3Å
272	L	31.1	Very low	30.8	Very low	169 Å²	169	150.2 Å²	150.2	89%	0.885	78%	0.778	S	S	*	*			trans	-74.8	110.2	156.3	-88.9	166.7	0	0	0	107.6	N270 L274	N270-L272 PolarHBondContact O-N 3.19Å; L272-L274 PolarHBondContact O-N 2.9Å
273	H	27.5	Very low	30.9	Very low	171 Å²	171	155.7 Å²	155.7	79%	0.792	79%	0.792	S	S	*	*			trans	-75.9	110.5	172.2	-135.7	-111.8	0	0	0	107.6	K271	K271-H273 PolarHBondContact O-N 3.3Å
274	L	31.2	Very low	31	Very low	166 Å²	166	155.3 Å²	155.3	87%	0.869	79%	0.794	S	S	*	*			trans	-109.5	123.2	168.2	-162.4	68.6	0	0	0	108.1	L272 G276	L272-L274 PolarHBondContact O-N 2.9Å; L274-G276 PolarHBondContact O-N 2.83Å
275	S	27.5	Very low	31.1	Very low	105 Å²	105	152.2 Å²	152.2	73%	0.734	79%	0.794	S	S	*	*			trans	-72.5	112.9	-169.7	51.8	0	0	0	0	112.5
276	G	32	Very low	31.3	Very low	76 Å²	76	152.5 Å²	152.5	78%	0.784	80%	0.802	S	S	*	*			trans	-103.7	122.4	159.4	0	0	0	0	0	109.3	L274	L274-G276 PolarHBondContact O-N 2.83Å
277	I	28.4	Very low	31.6	Very low	124 Å²	124	148.6 Å²	148.6	64%	0.636	80%	0.804	S	S	*	*			trans	-91.5	122.5	-172.6	-58.9	168.2	0	0	0	109.8
278	T	32.5	Very low	32.1	Very low	142 Å²	142	147 Å²	147	87%	0.871	80%	0.803	S	S	*	*			trans	-152.6	150	157.3	-42.5	0	0	0	0	108.3
279	E	32.5	Very low	32.3	Very low	185 Å²	185	151 Å²	151	86%	0.864	81%	0.81	S	S	*	*			trans	-90.8	166.3	-154	-61.9	170.4	155.1	0	0	115
280	L	34.6	Very low	32.7	Very low	163 Å²	163	148.6 Å²	148.6	85%	0.853	80%	0.804	S	S	*	*			trans	-132.5	144.8	179	-111.5	169.3	0	0	0	109.3
281	P	34.8	Very low	33.1	Very low	114 Å²	114	150.1 Å²	150.1	74%	0.74	81%	0.806	S	S	*	*			trans	-128.3	113.7	143.3	5.3	17	0	0	0	113.9
282	S	29.6	Very low	33.5	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	81%	0.806	S	S	*	*			trans	28.6	131.7	134.9	60.7	0	0	0	0	122.1
283	R	34.2	Very low	33.5	Very low	254 Å²	254	141.9 Å²	141.9	96%	0.958	80%	0.799	S	S	*	*			trans	-141.6	165.9	131.5	-133.3	174.1	-179.3	-175.8	-1.3	111.4
284	S	33.4	Very low	34	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	80%	0.801	S	S	*	*			trans	-121.9	-162.5	-153.4	54.4	0	0	0	0	114.5
285	S	38.7	Very low	34.3	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	80%	0.802	S	S	*	*			trans	70.1	121	-170.8	60.3	0	0	0	0	114
286	E	35.1	Very low	34.6	Very low	190 Å²	190	149.7 Å²	149.7	89%	0.888	81%	0.806	S	S	*	*				70.2	138.6	63.6	-64.7	-176.9	174.1	0	0	112.7
287	S	38.7	Very low	34.9	Very low	118 Å²	118	153.7 Å²	153.7	83%	0.825	81%	0.808	S	S	*	*			cis	-148.5	-162.8	27.3	63.7	0	0	0	0	114.1
288	K	37.3	Very low	35.2	Very low	189 Å²	189	152 Å²	152	82%	0.822	81%	0.812	S	S	*	*			trans	-93.5	154.2	-171.5	-54	158.3	-175.5	167.1	0	111.5
289	F	33.3	Very low	35.6	Very low	205 Å²	205	150.9 Å²	150.9	90%	0.899	81%	0.808	S	S	*	*				-169	-175.6	119.3	-116.1	-84.6	0	0	0	111.1
290	S	35.1	Very low	35.5	Very low	87 Å²	87	149.1 Å²	149.1	61%	0.608	81%	0.805	S	S	*	*			trans	-143.7	162.8	-143.2	56.6	0	0	0	0	118
291	H	36.3	Very low	35.9	Very low	183 Å²	183	150 Å²	150	85%	0.847	80%	0.801	S	S	*	*			trans	91.2	150.8	142.2	-108.7	57.1	0	0	0	122
292	S	39.1	Very low	35.8	Very low	120 Å²	120	154.1 Å²	154.1	84%	0.839	81%	0.808	S	S	*	*			trans	66.2	142.9	-177.6	79.4	0	0	0	0	116.8
293	G	31.9	Very low	35.9	Very low	73 Å²	73	155.3 Å²	155.3	75%	0.753	81%	0.81	S	S	*	*			cis	150.1	72.8	-9	0	0	0	0	0	114.5
294	K	38.1	Very low	36.1	Very low	189 Å²	189	151.5 Å²	151.5	82%	0.822	80%	0.804	S	S	*	*			trans	-133.7	117.1	172.8	-69.2	-173.8	178.7	177.8	0	111.7
295	K	36.9	Very low	36	Very low	206 Å²	206	151.8 Å²	151.8	90%	0.896	81%	0.806	S	S	*	*			trans	-76.2	140.4	168.3	-68.4	175.4	175.8	175.3	0	109.1
296	Y	34.9	Very low	35.6	Very low	210 Å²	210	151.9 Å²	151.9	82%	0.824	81%	0.805	S	S	*	*			trans	-129.1	127	158.8	-87.7	-75.9	0	0	0	112.1
297	I	37.6	Very low	35.4	Very low	160 Å²	160	148.4 Å²	148.4	82%	0.821	80%	0.797	S	S	*	*			trans	-48.1	138.7	-175.4	-64.4	151.9	0	0	0	113.4
298	A	35.6	Very low	35.2	Very low	88 Å²	88	146.1 Å²	146.1	73%	0.727	78%	0.778	S	S	*	*			trans	-88.1	135	167.5	0	0	0	0	0	111.2	N300	A298-N300 PolarHBondContact O-N 3.5Å
299	P	40.2	Very low	35.1	Very low	120 Å²	120	144.5 Å²	144.5	78%	0.779	77%	0.773	S	S	*	*			trans	-81.6	112.5	-180	31.2	-33.1	0	0	0	111.9	K301	P299-K301 PolarHBondContact O-N 2.9Å
300	N	31.3	Very low	35	Very low	148 Å²	148	140.1 Å²	140.1	79%	0.791	76%	0.763	S	S	*	*			trans	-80.3	104.1	170.6	-174.9	-7.6	0	0	0	110.1	A298	A298-N300 PolarHBondContact O-N 3.5Å
301	K	41.4	Very low	35	Very low	180 Å²	180	139.2 Å²	139.2	78%	0.783	76%	0.756	S	S	*	*			trans	-116.4	119.3	168.2	-78.5	-168.7	173.4	-175.1	0	110.5	P299 T303	P299-K301 PolarHBondContact O-N 2.9Å; K301-T303 PolarHBondContact O-N 3.33Å
302	K	33.4	Very low	35	Very low	202 Å²	202	140.1 Å²	140.1	88%	0.878	76%	0.758	S	S	*	*			trans	-71.4	114.7	167.5	-61.9	174.5	-178.7	176.6	0	108.5
303	T	31.8	Very low	34.8	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	75%	0.746	S	S	*	*			trans	-113.9	138.2	168.5	-51.7	0	0	0	0	108.3	K301	K301-T303 PolarHBondContact O-N 3.33Å
304	Q	38.4	Very low	34.8	Very low	175 Å²	175	142.7 Å²	142.7	82%	0.818	74%	0.74	S	S	*	*			trans	-67.7	149	-170	-72	165.4	-37.1	0	0	112.7	C306	Q304-C306 PolarHBondContact O-N 2.98Å
305	S	30.9	Very low	34.4	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	74%	0.744	S	S	*	*			trans	-79.7	97.7	175.2	-169.7	0	0	0	0	110	T307	S305-T307 PolarHBondContact O-N 3.04Å
306	C	30.9	Very low	34.3	Very low	105 Å²	105	139.7 Å²	139.7	71%	0.709	73%	0.732	S	S	*	*			trans	-77.6	86.3	176.3	-59	0	0	0	0	110.5	Q304 V308	Q304-C306 PolarHBondContact O-N 2.98Å; C306-V308 VanDerWaalsContact C-N 3.28Å; C306-V308 PolarHBondContact O-N 3.43Å
307	T	30.3	Very low	34.2	Very low	117 Å²	117	134.4 Å²	134.4	72%	0.718	73%	0.726	S	S	*	*			trans	-71.5	78.6	176.9	-53.7	0	0	0	0	111.3	S305 Q309	S305-T307 PolarHBondContact O-N 3.04Å; T307-Q309 PolarHBondContact O-N 2.84Å
308	V	33.9	Very low	34.1	Very low	71 Å²	71	135.6 Å²	135.6	43%	0.43	73%	0.725	S	S	.	*			trans	-72.1	110.3	176.9	-179	0	0	0	0	109.9	C306 V310	C306-V308 VanDerWaalsContact C-N 3.28Å; C306-V308 PolarHBondContact O-N 3.43Å; V308-V310 PolarHBondContact O-N 3.13Å; V308-V310 VanDerWaalsContact O-N 3.1Å
309	Q	35.8	Very low	34	Very low	155 Å²	155	142.1 Å²	142.1	72%	0.724	73%	0.732	S	S	*	*			trans	-64	105.8	169.4	-71.8	-86.5	-20.7	0	0	109.3	T307 S311	T307-Q309 PolarHBondContact O-N 2.84Å; Q309-S311 PolarHBondContact O-N 3.2Å; Q309-S311 VanDerWaalsContact O-N 3.1Å
310	V	32.1	Very low	33.7	Very low	112 Å²	112	144.4 Å²	144.4	68%	0.679	73%	0.733	S	S	*	*			trans	-64.6	112.1	163.3	177.5	0	0	0	0	106.9	V308 K312	V308-V310 PolarHBondContact O-N 3.13Å; V308-V310 VanDerWaalsContact O-N 3.1Å; V310-K312 PolarHBondContact O-N 3.27Å
311	S	34.9	Very low	33.8	Very low	68 Å²	68	147.2 Å²	147.2	48%	0.476	74%	0.738	S	S	.	*			trans	-59	112.8	179.3	46.9	0	0	0	0	109.6	Q309 Y313	Q309-S311 PolarHBondContact O-N 3.2Å; Q309-S311 VanDerWaalsContact O-N 3.1Å; S311-Y313 VanDerWaalsContact C-N 3.32Å; S311-Y313 PolarHBondContact O-N 3.5Å
312	K	36.1	Very low	33.5	Very low	202 Å²	202	147.3 Å²	147.3	88%	0.878	75%	0.745	S	S	*	*			trans	-65.5	96.3	169.9	-71.9	177.2	-179.4	171.4	0	107.4	V310 P314	V310-K312 PolarHBondContact O-N 3.27Å; K312-P314 VanDerWaalsContact O-N 3.16Å
313	Y	33.9	Very low	33.7	Very low	148 Å²	148	141.9 Å²	141.9	58%	0.58	73%	0.733	S	S	*	*			trans	-48.1	124.4	170.1	-67.4	-80.5	0	0	0	108.2	S311 K315	S311-Y313 VanDerWaalsContact C-N 3.32Å; S311-Y313 PolarHBondContact O-N 3.5Å; Y313-K315 PolarHBondContact O-N 3.4Å
314	P	32.6	Very low	33.9	Very low	99 Å²	99	143.9 Å²	143.9	64%	0.643	73%	0.733	S	S	*	*			trans	-60	137.7	-177.5	23.3	-32.5	0	0	0	109	K312 I316	K312-P314 VanDerWaalsContact O-N 3.16Å; P314-I316 VanDerWaalsContact C-N 3.3Å; P314-I316 HydrophobicContact CG-CG1 4.24Å; P314-I316 PolarHBondContact O-N 3.21Å
315	K	29.9	Very low	33.7	Very low	205 Å²	205	145.6 Å²	145.6	89%	0.891	74%	0.737	S	S	*	*			trans	-66.9	91.1	171.1	-71.7	-175.8	177	-177.9	0	108.3	Y313 S317	Y313-K315 PolarHBondContact O-N 3.4Å; K315-S317 PolarHBondContact O-N 3.4Å
316	I	34.8	Very low	34	Very low	127 Å²	127	149.4 Å²	149.4	65%	0.651	75%	0.745	S	S	*	*			trans	-75.7	71.4	177.3	-55.1	-178.5	0	0	0	109.2	P314 K318	P314-I316 VanDerWaalsContact C-N 3.3Å; P314-I316 HydrophobicContact CG-CG1 4.24Å; P314-I316 PolarHBondContact O-N 3.21Å; I316-K318 HydrophobicContact CG2-CB 4.32Å; I316-K318 PolarHBondContact O-N 2.96Å
317	S	31.8	Very low	34.3	Very low	99 Å²	99	153.7 Å²	153.7	69%	0.692	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	62.1	171.3	59.1	0	0	0	0	110.6	K315	K315-S317 PolarHBondContact O-N 3.4Å
318	K	36.6	Very low	34.4	Very low	185 Å²	185	158.1 Å²	158.1	80%	0.804	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	-5.1	176.1	-80	-167.4	172	-176.7	0	115.3	I316 Q320	I316-K318 HydrophobicContact CG2-CB 4.32Å; I316-K318 PolarHBondContact O-N 2.96Å; K318-Q320 VanDerWaalsContact C-N 3.34Å; K318-Q320 PolarHBondContact O-N 2.78Å
319	Y	33.4	Very low	34.5	Very low	225 Å²	225	160.3 Å²	160.3	88%	0.882	78%	0.781	S	S	*	*			trans	-95.1	55.8	167.7	-74.4	-79.3	0	0	0	112.1
320	Q	33.6	Very low	34.5	Very low	168 Å²	168	160.7 Å²	160.7	79%	0.785	79%	0.788	S	S	*	*			trans	-143.4	68.4	174	-77.1	-170.2	-35.6	0	0	111.3	K318	K318-Q320 VanDerWaalsContact C-N 3.34Å; K318-Q320 PolarHBondContact O-N 2.78Å
321	K	32.4	Very low	35.1	Very low	208 Å²	208	159.8 Å²	159.8	90%	0.904	79%	0.787	S	S	*	*			trans	174.4	75.8	153.3	-101.1	170.8	-179.1	-177.4	0	111.6
322	I	35.4	Very low	35.9	Very low	182 Å²	182	164 Å²	164	93%	0.933	80%	0.799	S	S	*	*			trans	-132.3	114.5	149.2	-58	-179.3	0	0	0	105.5
323	S	38.9	Very low	37	Very low	88 Å²	88	166 Å²	166	62%	0.615	80%	0.803	S	S	*	*			trans	-149.8	154.8	-179.5	-169.1	0	0	0	0	109.9
324	H	36.3	Very low	38.9	Very low	173 Å²	173	161.5 Å²	161.5	80%	0.801	79%	0.788	S	S	*	*			trans	67.3	68.1	172.3	-46.3	-65.1	0	0	0	117.6
325	K	32.4	Very low	41.5	Very low	210 Å²	210	159.3 Å²	159.3	91%	0.913	78%	0.776	S	S	*	*				-162.9	100.2	116.3	-110.5	-176.7	178.5	-172.6	0	111.4
326	M	37.8	Very low	44.4	Very low	191 Å²	191	152.4 Å²	152.4	94%	0.941	75%	0.751	S	S	*	*			trans	-139	140.8	157.3	-71.7	-168.7	76.2	0	0	107.5
327	E	38.5	Very low	47.1	Very low	194 Å²	194	149 Å²	149	91%	0.907	73%	0.732	S	S	*	*			trans	-81.9	160.1	-171.7	-66.8	167.5	125.2	0	0	112.1	C329	E327-C329 PolarHBondContact O-N 3.44Å
328	K	31.1	Very low	49.9	Very low	210 Å²	210	147.8 Å²	147.8	91%	0.913	72%	0.715	S	S	*	*			trans	-71.8	90.7	-177.6	-72.4	-179.3	176.5	177.4	0	111.3
329	C	36.4	Very low	52.7	Low	117 Å²	117	139 Å²	139	79%	0.791	68%	0.677	S	S	*	*			trans	-98.3	129.5	157.1	-163.3	0	0	0	0	109.3	E327 S331	E327-C329 PolarHBondContact O-N 3.44Å; C329-S331 PolarHBondContact O-N 3.42Å
330	N	35.7	Very low	55.6	Low	164 Å²	164	128.3 Å²	128.3	88%	0.877	64%	0.635	S	S	*	*			trans	-77	56.2	-176.1	-81	-13.1	0	0	0	112.9
331	S	43.8	Very low	58.3	Low	92 Å²	92	121.5 Å²	121.5	64%	0.643	60%	0.603	S	S	*	*			trans	-81.1	121.1	164.4	-168.7	0	0	0	0	109	C329 Y333	C329-S331 PolarHBondContact O-N 3.42Å; S331-Y333 PolarHBondContact O-N 3.48Å
332	Q	53.2	Low	61.2	Low	157 Å²	157	112.3 Å²	112.3	73%	0.734	56%	0.564	S	S	*	*			trans	-60.4	135.3	171.5	-72	173.2	-42.4	0	0	109.3	L334	Q332-L334 HydrophobicContact CB-CD2 4.32Å; Q332-L334 HydrophobicContact CB-CG 4.22Å; Q332-L334 PolarHBondContact O-N 2.9Å
333	Y	59	Low	63.9	Low	243 Å²	243	103.6 Å²	103.6	95%	0.953	52%	0.52	S	S	*	.			trans	-80.9	66.8	-177	-142	-85.9	0	0	0	110	S331	S331-Y333 PolarHBondContact O-N 3.48Å
334	L	72.5	Confident	66.1	Low	54 Å²	54	104 Å²	104	28%	0.283	51%	0.508	S	S	.	.			trans	-61.5	149.8	-176.8	-63.2	166.9	0	0	0	110.7	Q332 E338 H362 P363	Q332-L334 HydrophobicContact CB-CD2 4.32Å; Q332-L334 HydrophobicContact CB-CG 4.22Å; Q332-L334 PolarHBondContact O-N 2.9Å; L334-E338 WeakPolarHBondContact CD2-OE2 3.36Å; L334-H362 VanDerWaalsContact CB-CD2 3.49Å; L334-H362 WeakPolarHBondContact CB-CD2 3.42Å; L334-P363 HydrophobicContact CD1-CG 4.28Å
335	S	87.7	Confident	67.9	Low	54 Å²	54	97.9 Å²	97.9	38%	0.378	49%	0.485	S	S	.	.			trans	-83.3	150.6	-164.8	68.2	0	0	0	0	113.2	E337 E338 F339	S335-E337 PolarHBondContact O-N 3.37Å; S335-E338 PolarHBondContact N-OE2 3.08Å; S335-E338 WeakPolarHBondContact O-CB 3.44Å; S335-E338 PolarHBondContact O-N 2.73Å; S335-E338 VanDerWaalsContact O-N 3.11Å; S335-E338 WeakPolarHBondContact OG-CB 3.35Å; S335-E338 PolarHBondContact OG-N 2.86Å; S335-F339 PolarHBondContact O-N 3.05Å
336	T	91.7	Very high	69.4	Low	59 Å²	59	89.3 Å²	89.3	36%	0.362	45%	0.45	S	S	.	.	H	α-helix	trans	-63.3	-27.3	172.7	46.1	0	0	0	0	112.7	V340 I386	T336-V340 WeakPolarHBondContact O-CG2 3.31Å; T336-V340 PolarHBondContact O-N 2.85Å; T336-I386 HydrophobicContact CG2-CD1 4.35Å; T336-I386 HydrophobicContact CG2-CG1 4.47Å
337	E	91.3	Very high	70.5	Confident	56 Å²	56	85.2 Å²	85.2	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-46.5	170.5	175.6	174.6	174	0	0	111.6	S335 V340 Y341 W488	S335-E337 PolarHBondContact O-N 3.37Å; E337-V340 PolarHBondContact O-N 3.48Å; E337-V340 VanDerWaalsContact O-N 3.17Å; E337-Y341 HydrophobicContact CG-CD2 3.86Å; E337-Y341 HydrophobicContact CG-CE1 4.42Å; E337-Y341 HydrophobicContact CG-CE2 3.17Å; E337-Y341 VanDerWaalsContact CG-CZ 3.49Å; E337-Y341 WeakPolarHBondContact O-CD2 3.15Å; E337-Y341 PolarHBondContact O-N 3.43Å; E337-Y341 WeakPolarHBondContact OE1-CE2 3.43Å; E337-Y341 PolarHBondContact OE1-OH 3.2Å; E337-W488 HydrophobicContact CB-CZ2 3.72Å; E337-W488 HydrophobicContact CG-CD2 4.43Å; E337-W488 HydrophobicContact CG-CG 4.47Å; E337-W488 HydrophobicContact CG-CZ2 4.23Å; E337-W488 PolarHBondContact OE2-NE1 2.88Å
338	E	90.4	Very high	71.4	Confident	73 Å²	73	81.8 Å²	81.8	34%	0.341	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-38.4	175.2	177.7	177.3	-163.6	0	0	112.8	L334 S335 V340 Y341 S342	L334-E338 WeakPolarHBondContact CD2-OE2 3.36Å; S335-E338 PolarHBondContact N-OE2 3.08Å; S335-E338 WeakPolarHBondContact O-CB 3.44Å; S335-E338 PolarHBondContact O-N 2.73Å; S335-E338 VanDerWaalsContact O-N 3.11Å; S335-E338 WeakPolarHBondContact OG-CB 3.35Å; S335-E338 PolarHBondContact OG-N 2.86Å; E338-V340 VanDerWaalsContact C-N 3.31Å; E338-V340 PolarHBondContact O-N 3.23Å; E338-Y341 PolarHBondContact O-N 2.98Å; E338-S342 WeakPolarHBondContact O-CB 3.47Å; E338-S342 PolarHBondContact O-N 3.47Å; E338-S342 PolarHBondContact O-OG 3.46Å
339	F	94.4	Very high	72.6	Confident	1 Å²	1	79.5 Å²	79.5	0%	0.004	42%	0.417	C	S	.	.	H	α-helix	trans	-52	-50.8	168.5	166.9	-102.8	0	0	0	110.9	S335 S342 L343 H362 D364 A365 F368 L379 K382 I386	S335-F339 PolarHBondContact O-N 3.05Å; F339-S342 PolarHBondContact O-N 2.69Å; F339-S342 PolarHBondContact O-OG 2.81Å; F339-S342 VanDerWaalsContact O-OG 3.06Å; F339-L343 HydrophobicContact CE2-CD2 4.4Å; F339-L343 HydrophobicContact CZ-CD2 4.34Å; F339-H362 HydrophobicContact CB-CB 4.4Å; F339-D364 HydrophobicContact CD2-CB 3.65Å; F339-D364 HydrophobicContact CE2-CB 3.74Å; F339-A365 HydrophobicContact CD2-CB 4.03Å; F339-A365 HydrophobicContact CE2-CB 4.15Å; F339-F368 AromaticContact CE2-CD2 3.7Å; F339-F368 HydrophobicContact CE2-CD2 3.7Å; F339-F368 AromaticContact CE2-CE2 3.71Å; F339-F368 HydrophobicContact CE2-CE2 3.71Å; F339-F368 AromaticContact CZ-CD2 3.77Å; F339-F368 HydrophobicContact CZ-CD2 3.77Å; F339-F368 AromaticContact CZ-CE2 3.62Å; F339-F368 HydrophobicContact CZ-CE2 3.62Å; F339-L379 HydrophobicContact CZ-CD1 4.17Å; F339-K382 HydrophobicContact CE1-CD 3.99Å; F339-K382 HydrophobicContact CE1-CG 4.08Å; F339-K382 HydrophobicContact CZ-CD 3.81Å; F339-K382 HydrophobicContact CZ-CG 4.32Å; F339-I386 HydrophobicContact CD1-CD1 3.78Å; F339-I386 HydrophobicContact CE1-CD1 3.95Å
340	V	94.8	Very high	73.3	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-67.1	-43.6	-178.6	172.4	0	0	0	0	112.7	T336 E337 E338 S342 L343 L383 I386 Y387 R451 W488 L491	T336-V340 WeakPolarHBondContact O-CG2 3.31Å; T336-V340 PolarHBondContact O-N 2.85Å; E337-V340 PolarHBondContact O-N 3.48Å; E337-V340 VanDerWaalsContact O-N 3.17Å; E338-V340 VanDerWaalsContact C-N 3.31Å; E338-V340 PolarHBondContact O-N 3.23Å; V340-S342 VanDerWaalsContact C-N 3.28Å; V340-S342 PolarHBondContact O-N 2.82Å; V340-L343 WeakPolarHBondContact O-CG 3.3Å; V340-L343 PolarHBondContact O-N 2.98Å; V340-L383 HydrophobicContact CG1-CD2 4.37Å; V340-L383 HydrophobicContact CG2-CD2 3.78Å; V340-I386 HydrophobicContact CG2-CG2 4.07Å; V340-Y387 HydrophobicContact CG1-CE1 4.36Å; V340-R451 HydrophobicContact CG1-CG 3.82Å; V340-R451 WeakPolarHBondContact O-CD 3.34Å; V340-W488 HydrophobicContact CB-CH2 4.2Å; V340-W488 HydrophobicContact CB-CZ3 3.98Å; V340-W488 HydrophobicContact CG1-CE3 4.43Å; V340-W488 HydrophobicContact CG1-CZ3 3.84Å; V340-W488 HydrophobicContact CG2-CH2 3.89Å; V340-W488 HydrophobicContact CG2-CZ3 3.89Å; V340-L491 HydrophobicContact CG1-CD2 3.98Å
341	Y	91.8	Very high	74.4	Confident	25 Å²	25	73.5 Å²	73.5	10%	0.098	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-37.1	175.2	-63.6	-34	0	0	0	111.7	E337 E338 L343 Y344 W488 K490 L491	E337-Y341 HydrophobicContact CG-CD2 3.86Å; E337-Y341 HydrophobicContact CG-CE1 4.42Å; E337-Y341 HydrophobicContact CG-CE2 3.17Å; E337-Y341 VanDerWaalsContact CG-CZ 3.49Å; E337-Y341 WeakPolarHBondContact O-CD2 3.15Å; E337-Y341 PolarHBondContact O-N 3.43Å; E337-Y341 WeakPolarHBondContact OE1-CE2 3.43Å; E337-Y341 PolarHBondContact OE1-OH 3.2Å; E338-Y341 PolarHBondContact O-N 2.98Å; Y341-L343 PolarHBondContact O-N 3.42Å; Y341-Y344 WeakPolarHBondContact O-CD2 3.26Å; Y341-Y344 VanDerWaalsContact O-CE2 3.26Å; Y341-Y344 WeakPolarHBondContact O-CE2 3.47Å; Y341-W488 HydrophobicContact CE1-CB 4.47Å; Y341-K490 HydrophobicContact CD1-CB 4.09Å; Y341-K490 HydrophobicContact CD2-CB 4.21Å; Y341-K490 HydrophobicContact CD2-CD 4.01Å; Y341-K490 HydrophobicContact CD2-CG 4.49Å; Y341-K490 VanDerWaalsContact CE1-C 3.42Å; Y341-K490 HydrophobicContact CE1-CB 3.64Å; Y341-K490 HydrophobicContact CE1-CG 4.42Å; Y341-K490 HydrophobicContact CE2-CB 3.74Å; Y341-K490 HydrophobicContact CE2-CD 3.52Å; Y341-K490 HydrophobicContact CE2-CG 3.75Å; Y341-K490 HydrophobicContact CG-CB 4.38Å; Y341-K490 VanDerWaalsContact CZ-CB 3.47Å; Y341-K490 PolarHBondContact OH-N 3.19Å; Y341-L491 HydrophobicContact CD1-CD2 4.11Å; Y341-L491 HydrophobicContact CD1-CG 4.43Å; Y341-L491 HydrophobicContact CE1-CB 4.5Å; Y341-L491 HydrophobicContact CE1-CD2 4.14Å; Y341-L491 HydrophobicContact CE1-CG 3.95Å
342	S	91.6	Very high	75.1	Confident	15 Å²	15	73.3 Å²	73.3	11%	0.105	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	18.2	-176.8	76.9	0	0	0	0	115.2	E338 F339 V340 R361 H362 A365	E338-S342 WeakPolarHBondContact O-CB 3.47Å; E338-S342 PolarHBondContact O-N 3.47Å; E338-S342 PolarHBondContact O-OG 3.46Å; F339-S342 PolarHBondContact O-N 2.69Å; F339-S342 PolarHBondContact O-OG 2.81Å; F339-S342 VanDerWaalsContact O-OG 3.06Å; V340-S342 VanDerWaalsContact C-N 3.28Å; V340-S342 PolarHBondContact O-N 2.82Å; S342-R361 PolarHBondContact O-NH1 2.8Å; S342-H362 VanDerWaalsContact OG-CB 3.27Å; S342-H362 WeakPolarHBondContact OG-CB 3.19Å; S342-H362 PolarHBondContact OG-N 3.36Å; S342-A365 WeakPolarHBondContact OG-CB 3.34Å
343	L	93.2	Very high	75.3	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.2	174.2	-62.3	175.6	0	0	0	115	F339 V340 Y341 A365 F368 V369 L379 L383 A447 E448 R451	F339-L343 HydrophobicContact CE2-CD2 4.4Å; F339-L343 HydrophobicContact CZ-CD2 4.34Å; V340-L343 WeakPolarHBondContact O-CG 3.3Å; V340-L343 PolarHBondContact O-N 2.98Å; Y341-L343 PolarHBondContact O-N 3.42Å; L343-A365 HydrophobicContact CD2-CB 4Å; L343-F368 HydrophobicContact CD2-CB 4.4Å; L343-V369 HydrophobicContact CD2-CG2 4.39Å; L343-L379 HydrophobicContact CD1-CD1 4.02Å; L343-L379 HydrophobicContact CD2-CD1 4.03Å; L343-L383 HydrophobicContact CD1-CD1 4.3Å; L343-L383 HydrophobicContact CD1-CD2 3.89Å; L343-L383 HydrophobicContact CD1-CG 4.47Å; L343-A447 HydrophobicContact CB-CB 4.18Å; L343-A447 HydrophobicContact CD2-CB 4.24Å; L343-E448 PolarHBondContact O-N 3.06Å; L343-R451 HydrophobicContact CD1-CB 4.09Å; L343-R451 HydrophobicContact CD1-CG 4.24Å
344	Y	84.5	Confident	75.2	Confident	95 Å²	95	64.3 Å²	64.3	37%	0.373	34%	0.336	S	S	.	.	S	Bend	trans	-59.7	154.6	174.7	-67.8	-69.4	0	0	0	112.6	Y341 R361 R451	Y341-Y344 WeakPolarHBondContact O-CD2 3.26Å; Y341-Y344 VanDerWaalsContact O-CE2 3.26Å; Y341-Y344 WeakPolarHBondContact O-CE2 3.47Å; Y344-R361 PolarHBondContact O-NH1 3.5Å; Y344-R361 PolarHBondContact O-NH2 2.81Å; Y344-R451 VanDerWaalsContact CE1-NH2 3.25Å
345	P	73.8	Confident	74.5	Confident	46 Å²	46	67.9 Å²	67.9	30%	0.299	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-60.7	159.7	-173	-23.9	35.6	0	0	0	114	R361 E448	P345-R361 PolarHBondContact O-NH2 3Å; P345-E448 VanDerWaalsContact CD-CD 3.48Å; P345-E448 VanDerWaalsContact CD-OE2 3.23Å; P345-E448 WeakPolarHBondContact CD-OE2 3.2Å; P345-E448 HydrophobicContact CG-CG 3.86Å; P345-E448 WeakPolarHBondContact CG-OE1 3.46Å
346	V	63.8	Low	73.1	Confident	30 Å²	30	67.7 Å²	67.7	18%	0.182	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-92.9	121.4	158.9	176.9	0	0	0	0	107.4	N348 R354 V369	V346-N348 PolarHBondContact O-N 3.37Å; V346-N348 PolarHBondContact O-OD1 3.15Å; V346-R354 HydrophobicContact CG1-CG 4.3Å; V346-V369 HydrophobicContact CG2-CG1 3.93Å
347	N	61.5	Low	71.4	Confident	104 Å²	104	68.1 Å²	68.1	56%	0.556	35%	0.349	S	S	*	.			trans	-76.2	92.4	172.8	-79.4	-26.9	0	0	0	109.4	N349 D350	N347-N349 PolarHBondContact O-N 3.13Å; N347-D350 PolarHBondContact O-N 3.21Å
348	N	56.9	Low	69.8	Low	122 Å²	122	68.9 Å²	68.9	65%	0.652	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-0.3	-176.8	-63.4	-28	0	0	0	115.5	V346	V346-N348 PolarHBondContact O-N 3.37Å; V346-N348 PolarHBondContact O-OD1 3.15Å
349	N	55.9	Low	68.4	Low	163 Å²	163	73.8 Å²	73.8	87%	0.872	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	3.7	-176.2	-63.4	-5.8	0	0	0	113.1	N347	N347-N349 PolarHBondContact O-N 3.13Å
350	D	52.3	Low	67.1	Low	50 Å²	50	80.5 Å²	80.5	27%	0.267	41%	0.408	S	S	.	.			trans	-151.1	91.4	-172.2	-173.2	-19.7	0	0	0	110.3	N347 S352 K353 R354	N347-D350 PolarHBondContact O-N 3.21Å; D350-S352 PolarHBondContact O-N 3.29Å; D350-S352 WeakPolarHBondContact OD1-CB 3.41Å; D350-S352 PolarHBondContact OD1-N 3.42Å; D350-S352 PolarHBondContact OD1-OG 3.49Å; D350-K353 HydrophobicContact CB-CB 4.21Å; D350-K353 HydrophobicContact CB-CD 4.48Å; D350-K353 HydrophobicContact CB-CG 4.48Å; D350-K353 PolarHBondContact O-N 3.11Å; D350-K353 PolarHBondContact OD1-N 3.26Å; D350-K353 VanDerWaalsContact OD2-CD 3.29Å; D350-K353 WeakPolarHBondContact OD2-CD 3.22Å; D350-K353 WeakPolarHBondContact OD2-CE 3.47Å; D350-K353 WeakPolarHBondContact OD2-CG 3.26Å; D350-K353 IonicContact OD2-NZ 2.61Å; D350-K353 PolarHBondContact OD2-NZ 3.49Å; D350-R354 PolarHBondContact O-N 3.35Å
351	D	57.8	Low	66.5	Low	105 Å²	105	81.6 Å²	81.6	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-62.4	-25	-177.3	-71.2	-66.3	0	0	0	113.1	K353 R354 M355	D351-K353 VanDerWaalsContact C-N 3.28Å; D351-K353 PolarHBondContact O-N 3.18Å; D351-R354 WeakPolarHBondContact O-CB 3.25Å; D351-R354 PolarHBondContact O-N 3.11Å; D351-R354 IonicContact OD1-NH1 3.93Å; D351-M355 PolarHBondContact O-N 3.47Å
352	S	59.8	Low	66.4	Low	88 Å²	88	81.1 Å²	81.1	62%	0.615	41%	0.411	S	S	*	.	H	α-helix	trans	-63.3	-37.1	172.8	81.9	0	0	0	0	111.7	D350	D350-S352 PolarHBondContact O-N 3.29Å; D350-S352 WeakPolarHBondContact OD1-CB 3.41Å; D350-S352 PolarHBondContact OD1-N 3.42Å; D350-S352 PolarHBondContact OD1-OG 3.49Å
353	K	56.5	Low	66.2	Low	92 Å²	92	83.5 Å²	83.5	40%	0.4	43%	0.426	S	S	.	.	H	α-helix	trans	-82.7	-27.4	175.6	-71.5	-175.9	-174.8	61.4	0	112.6	D350 D351 M355 S356 H357	D350-K353 HydrophobicContact CB-CB 4.21Å; D350-K353 HydrophobicContact CB-CD 4.48Å; D350-K353 HydrophobicContact CB-CG 4.48Å; D350-K353 PolarHBondContact O-N 3.11Å; D350-K353 PolarHBondContact OD1-N 3.26Å; D350-K353 VanDerWaalsContact OD2-CD 3.29Å; D350-K353 WeakPolarHBondContact OD2-CD 3.22Å; D350-K353 WeakPolarHBondContact OD2-CE 3.47Å; D350-K353 WeakPolarHBondContact OD2-CG 3.26Å; D350-K353 IonicContact OD2-NZ 2.61Å; D350-K353 PolarHBondContact OD2-NZ 3.49Å; D351-K353 VanDerWaalsContact C-N 3.28Å; D351-K353 PolarHBondContact O-N 3.18Å; K353-M355 PolarHBondContact O-N 3.05Å; K353-S356 WeakPolarHBondContact CA-OG 3.22Å; K353-S356 PolarHBondContact O-N 3.32Å; K353-S356 PolarHBondContact O-OG 2.83Å; K353-S356 VanDerWaalsContact O-OG 3.08Å; K353-H357 WeakPolarHBondContact O-CB 3.39Å; K353-H357 PolarHBondContact O-CD2 3.16Å; K353-H357 VanDerWaalsContact O-CD2 3.29Å; K353-H357 PolarHBondContact O-N 2.9Å
354	R	57.3	Low	66.1	Low	119 Å²	119	86.6 Å²	86.6	45%	0.449	44%	0.442	S	S	.	.	H	α-helix	trans	-56.7	-51.2	174.8	-176.6	179.2	169.8	-174.3	-1.9	111.2	V346 D350 D351 S356 H357 E358	V346-R354 HydrophobicContact CG1-CG 4.3Å; D350-R354 PolarHBondContact O-N 3.35Å; D351-R354 WeakPolarHBondContact O-CB 3.25Å; D351-R354 PolarHBondContact O-N 3.11Å; D351-R354 IonicContact OD1-NH1 3.93Å; R354-S356 VanDerWaalsContact C-N 3.33Å; R354-S356 PolarHBondContact O-N 3.07Å; R354-H357 PolarHBondContact O-N 2.94Å; R354-E358 VanDerWaalsContact O-CB 3.25Å; R354-E358 WeakPolarHBondContact O-CB 3.26Å; R354-E358 PolarHBondContact O-N 3.38Å
355	M	56.8	Low	66.5	Low	129 Å²	129	82 Å²	82	64%	0.635	43%	0.425	S	S	*	.	H	α-helix	trans	-64	-33.1	-179.5	-66.8	-172.1	75.7	0	0	113.6	D351 K353 K359	D351-M355 PolarHBondContact O-N 3.47Å; K353-M355 PolarHBondContact O-N 3.05Å; M355-K359 WeakPolarHBondContact O-CG 3.21Å; M355-K359 PolarHBondContact O-N 2.87Å
356	S	58.6	Low	67.3	Low	49 Å²	49	81.9 Å²	81.9	34%	0.343	42%	0.421	S	S	.	.	H	α-helix	trans	-78.6	-40.4	177.4	57.4	0	0	0	0	112.7	K353 R354 E358 K359 L360	K353-S356 WeakPolarHBondContact CA-OG 3.22Å; K353-S356 PolarHBondContact O-N 3.32Å; K353-S356 PolarHBondContact O-OG 2.83Å; K353-S356 VanDerWaalsContact O-OG 3.08Å; R354-S356 VanDerWaalsContact C-N 3.33Å; R354-S356 PolarHBondContact O-N 3.07Å; S356-E358 PolarHBondContact O-N 3.07Å; S356-K359 PolarHBondContact O-N 3.45Å; S356-L360 WeakPolarHBondContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CG 3.32Å; S356-L360 PolarHBondContact O-N 2.74Å
357	H	57.5	Low	68.7	Low	69 Å²	69	84.5 Å²	84.5	32%	0.319	43%	0.43	S	S	.	.	H	α-helix	trans	-70.9	-12.4	172.8	-82.1	-82.2	0	0	0	114.5	K353 R354 R361	K353-H357 WeakPolarHBondContact O-CB 3.39Å; K353-H357 PolarHBondContact O-CD2 3.16Å; K353-H357 VanDerWaalsContact O-CD2 3.29Å; K353-H357 PolarHBondContact O-N 2.9Å; R354-H357 PolarHBondContact O-N 2.94Å; H357-R361 WeakPolarHBondContact O-CB 3.35Å; H357-R361 PolarHBondContact O-NE 3.43Å
358	E	57.7	Low	70.3	Confident	72 Å²	72	79.5 Å²	79.5	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-89.4	-37.6	171.9	-169.9	143.8	-145.2	0	0	110.8	R354 S356 L366 Q370	R354-E358 VanDerWaalsContact O-CB 3.25Å; R354-E358 WeakPolarHBondContact O-CB 3.26Å; R354-E358 PolarHBondContact O-N 3.38Å; S356-E358 PolarHBondContact O-N 3.07Å; E358-L366 HydrophobicContact CG-CD2 3.95Å; E358-Q370 PolarHBondContact OE1-NE2 3.37Å
359	K	59.4	Low	72	Confident	175 Å²	175	75 Å²	75	76%	0.761	38%	0.38	S	S	*	.	H	α-helix	trans	-71.2	-23.5	172.2	-74.7	179.5	177.2	-175	0	115	M355 S356	M355-K359 WeakPolarHBondContact O-CG 3.21Å; M355-K359 PolarHBondContact O-N 2.87Å; S356-K359 PolarHBondContact O-N 3.45Å
360	L	68.8	Low	73.7	Confident	143 Å²	143	72.2 Å²	72.2	75%	0.749	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	24.8	-178.5	-66.7	171.8	0	0	0	113.3	S356	S356-L360 WeakPolarHBondContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CG 3.32Å; S356-L360 PolarHBondContact O-N 2.74Å
361	R	81.8	Confident	75.6	Confident	22 Å²	22	76.5 Å²	76.5	8%	0.083	38%	0.378	C	S	.	.	S	Bend	trans	-126.3	139.1	-173.2	-171.8	176.8	-54.8	-100.5	7.9	111.1	S342 Y344 P345 H357 A365 L366	S342-R361 PolarHBondContact O-NH1 2.8Å; Y344-R361 PolarHBondContact O-NH1 3.5Å; Y344-R361 PolarHBondContact O-NH2 2.81Å; P345-R361 PolarHBondContact O-NH2 3Å; H357-R361 WeakPolarHBondContact O-CB 3.35Å; H357-R361 PolarHBondContact O-NE 3.43Å; R361-A365 HydrophobicContact CG-CB 4.01Å; R361-L366 HydrophobicContact CG-CD2 4.45Å
362	H	88.2	Confident	77.3	Confident	15 Å²	15	72.6 Å²	72.6	7%	0.069	36%	0.356	C	S	.	.			trans	-58.2	133.1	173.8	-168	-61.8	0	0	0	109.7	L334 F339 S342 D364 A365	L334-H362 VanDerWaalsContact CB-CD2 3.49Å; L334-H362 WeakPolarHBondContact CB-CD2 3.42Å; F339-H362 HydrophobicContact CB-CB 4.4Å; S342-H362 VanDerWaalsContact OG-CB 3.27Å; S342-H362 WeakPolarHBondContact OG-CB 3.19Å; S342-H362 PolarHBondContact OG-N 3.36Å; H362-D364 IonicContact CE1-OD1 2.69Å; H362-D364 PolarHBondContact CE1-OD1 3.33Å; H362-D364 VanDerWaalsContact CE1-OD1 3.26Å; H362-D364 WeakPolarHBondContact ND1-CB 3.49Å; H362-D364 PolarHBondContact ND1-N 3.27Å; H362-D364 IonicContact ND1-OD1 3.2Å; H362-D364 PolarHBondContact ND1-OD1 2.7Å; H362-D364 PolarHBondContact O-N 2.69Å; H362-A365 HydrophobicContact CB-CB 4.28Å; H362-A365 WeakPolarHBondContact O-CB 3.23Å; H362-A365 PolarHBondContact O-N 2.86Å
363	P	88.7	Confident	79	Confident	65 Å²	65	75.5 Å²	75.5	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-55.5	-47.5	-174.7	18	-31	0	0	0	112.8	L334 A365 L366	L334-P363 HydrophobicContact CD1-CG 4.28Å; P363-A365 PolarHBondContact O-N 2.83Å; P363-A365 VanDerWaalsContact O-N 3.11Å; P363-L366 WeakPolarHBondContact O-CB 3.27Å; P363-L366 PolarHBondContact O-N 2.96Å; P363-L366 VanDerWaalsContact O-N 3.07Å
364	D	90.8	Very high	80.9	Confident	65 Å²	65	75.8 Å²	75.8	35%	0.348	37%	0.369	S	S	.	.	H	α-helix	trans	-50.6	-33.2	172.4	-65.1	41.3	0	0	0	114.9	F339 H362 L366 K367 F368 K382	F339-D364 HydrophobicContact CD2-CB 3.65Å; F339-D364 HydrophobicContact CE2-CB 3.74Å; H362-D364 IonicContact CE1-OD1 2.69Å; H362-D364 PolarHBondContact CE1-OD1 3.33Å; H362-D364 VanDerWaalsContact CE1-OD1 3.26Å; H362-D364 WeakPolarHBondContact ND1-CB 3.49Å; H362-D364 PolarHBondContact ND1-N 3.27Å; H362-D364 IonicContact ND1-OD1 3.2Å; H362-D364 PolarHBondContact ND1-OD1 2.7Å; H362-D364 PolarHBondContact O-N 2.69Å; D364-L366 VanDerWaalsContact C-N 3.33Å; D364-K367 WeakPolarHBondContact O-CG 3.37Å; D364-F368 WeakPolarHBondContact O-CD2 3.48Å; D364-F368 WeakPolarHBondContact O-CE2 3.5Å; D364-K382 IonicContact OD2-NZ 3.27Å; D364-K382 PolarHBondContact OD2-NZ 3.32Å
365	A	93.4	Very high	82.8	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-74.2	-24.6	-177.1	0	0	0	0	0	112.3	F339 S342 L343 R361 H362 P363 K367 F368 V369	F339-A365 HydrophobicContact CD2-CB 4.03Å; F339-A365 HydrophobicContact CE2-CB 4.15Å; S342-A365 WeakPolarHBondContact OG-CB 3.34Å; L343-A365 HydrophobicContact CD2-CB 4Å; R361-A365 HydrophobicContact CG-CB 4.01Å; H362-A365 HydrophobicContact CB-CB 4.28Å; H362-A365 WeakPolarHBondContact O-CB 3.23Å; H362-A365 PolarHBondContact O-N 2.86Å; P363-A365 PolarHBondContact O-N 2.83Å; P363-A365 VanDerWaalsContact O-N 3.11Å; A365-K367 PolarHBondContact O-N 3.03Å; A365-F368 PolarHBondContact O-N 2.93Å; A365-F368 VanDerWaalsContact O-N 3.15Å; A365-V369 WeakPolarHBondContact O-CG2 3.38Å; A365-V369 PolarHBondContact O-N 2.87Å
366	L	90.5	Very high	84.8	Confident	42 Å²	42	67.5 Å²	67.5	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-56.6	-46.9	-179.1	-71	163.7	0	0	0	111.9	E358 R361 P363 D364 F368 V369 Q370	E358-L366 HydrophobicContact CG-CD2 3.95Å; R361-L366 HydrophobicContact CG-CD2 4.45Å; P363-L366 WeakPolarHBondContact O-CB 3.27Å; P363-L366 PolarHBondContact O-N 2.96Å; P363-L366 VanDerWaalsContact O-N 3.07Å; D364-L366 VanDerWaalsContact C-N 3.33Å; L366-F368 VanDerWaalsContact C-N 3.28Å; L366-F368 PolarHBondContact O-N 2.85Å; L366-V369 PolarHBondContact O-N 3.45Å; L366-Q370 VanDerWaalsContact O-CB 3.31Å; L366-Q370 WeakPolarHBondContact O-CB 3.42Å; L366-Q370 WeakPolarHBondContact O-CG 3.41Å; L366-Q370 PolarHBondContact O-N 3.4Å
367	K	93	Very high	86.6	Confident	85 Å²	85	67.6 Å²	67.6	37%	0.37	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-33.2	-179.8	67.5	165.6	-178.8	166.2	0	112.9	D364 A365 K371 N375 E378	D364-K367 WeakPolarHBondContact O-CG 3.37Å; A365-K367 PolarHBondContact O-N 3.03Å; K367-K371 CarbonylContact O-C 3.56Å; K367-K371 WeakPolarHBondContact O-CA 3.32Å; K367-K371 WeakPolarHBondContact O-CB 3.11Å; K367-K371 PolarHBondContact O-N 3.25Å; K367-K371 VanDerWaalsContact O-N 3.12Å; K367-N375 PolarHBondContact O-ND2 3.28Å; K367-E378 IonicContact NZ-OE1 3.26Å; K367-E378 PolarHBondContact NZ-OE1 3.31Å; K367-E378 IonicContact NZ-OE2 3.48Å; K367-E378 PolarHBondContact NZ-OE2 2.86Å
368	F	95	Very high	88.6	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-79.8	-29.1	-179.7	-62.2	-62.4	0	0	0	113	F339 L343 D364 A365 L366 F372 N375 E378 L379 K382	F339-F368 AromaticContact CE2-CD2 3.7Å; F339-F368 HydrophobicContact CE2-CD2 3.7Å; F339-F368 AromaticContact CE2-CE2 3.71Å; F339-F368 HydrophobicContact CE2-CE2 3.71Å; F339-F368 AromaticContact CZ-CD2 3.77Å; F339-F368 HydrophobicContact CZ-CD2 3.77Å; F339-F368 AromaticContact CZ-CE2 3.62Å; F339-F368 HydrophobicContact CZ-CE2 3.62Å; L343-F368 HydrophobicContact CD2-CB 4.4Å; D364-F368 WeakPolarHBondContact O-CD2 3.48Å; D364-F368 WeakPolarHBondContact O-CE2 3.5Å; A365-F368 PolarHBondContact O-N 2.93Å; A365-F368 VanDerWaalsContact O-N 3.15Å; L366-F368 VanDerWaalsContact C-N 3.28Å; L366-F368 PolarHBondContact O-N 2.85Å; F368-F372 WeakPolarHBondContact O-CA 3.27Å; F368-F372 VanDerWaalsContact O-CB 3.27Å; F368-F372 WeakPolarHBondContact O-CB 3.3Å; F368-F372 PolarHBondContact O-N 2.84Å; F368-N375 HydrophobicContact CD1-CB 3.7Å; F368-N375 HydrophobicContact CE1-CB 4.09Å; F368-E378 HydrophobicContact CE1-CB 4.11Å; F368-E378 HydrophobicContact CE1-CG 4.22Å; F368-E378 HydrophobicContact CZ-CG 4.31Å; F368-E378 WeakPolarHBondContact CZ-OE1 3.12Å; F368-L379 HydrophobicContact CB-CD1 4.04Å; F368-L379 HydrophobicContact CB-CD2 4.29Å; F368-L379 HydrophobicContact CD1-CB 3.59Å; F368-L379 HydrophobicContact CD1-CD1 4.07Å; F368-L379 HydrophobicContact CD1-CG 4.29Å; F368-L379 HydrophobicContact CD2-CD1 4.01Å; F368-L379 HydrophobicContact CE1-CB 3.85Å; F368-L379 HydrophobicContact CE1-CD1 4.49Å; F368-L379 HydrophobicContact CE2-CD1 4.45Å; F368-L379 HydrophobicContact CG-CB 4.19Å; F368-L379 HydrophobicContact CG-CD1 3.79Å; F368-L379 HydrophobicContact CG-CG 4.4Å; F368-K382 HydrophobicContact CE2-CD 4.26Å; F368-K382 HydrophobicContact CZ-CD 4.35Å
369	V	92.9	Very high	90.5	Very high	26 Å²	26	64.7 Å²	64.7	16%	0.158	32%	0.321	C	S	.	.	H	α-helix	trans	-87.7	-42	179.9	178.7	0	0	0	0	111.3	L343 V346 A365 L366 A447	L343-V369 HydrophobicContact CD2-CG2 4.39Å; V346-V369 HydrophobicContact CG2-CG1 3.93Å; A365-V369 WeakPolarHBondContact O-CG2 3.38Å; A365-V369 PolarHBondContact O-N 2.87Å; L366-V369 PolarHBondContact O-N 3.45Å; V369-A447 HydrophobicContact CG2-CB 3.96Å
370	Q	90.6	Very high	92.3	Very high	105 Å²	105	56.4 Å²	56.4	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-76.4	-40	178.8	-63.6	180	-2.8	0	0	112.9	E358 L366	E358-Q370 PolarHBondContact OE1-NE2 3.37Å; L366-Q370 VanDerWaalsContact O-CB 3.31Å; L366-Q370 WeakPolarHBondContact O-CB 3.42Å; L366-Q370 WeakPolarHBondContact O-CG 3.41Å; L366-Q370 PolarHBondContact O-N 3.4Å
371	K	92.4	Very high	93.7	Very high	140 Å²	140	55 Å²	55	61%	0.609	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	48.5	-177.8	-65	179.3	-178.7	174.3	0	110.8	K367 K373 P374 N375	K367-K371 CarbonylContact O-C 3.56Å; K367-K371 WeakPolarHBondContact O-CA 3.32Å; K367-K371 WeakPolarHBondContact O-CB 3.11Å; K367-K371 PolarHBondContact O-N 3.25Å; K367-K371 VanDerWaalsContact O-N 3.12Å; K371-K373 PolarHBondContact O-N 3.45Å; K371-P374 HydrophobicContact CB-CG 4.24Å; K371-P374 VanDerWaalsContact O-CD 3.23Å; K371-P374 WeakPolarHBondContact O-CD 3.26Å; K371-P374 WeakPolarHBondContact O-CG 3.43Å; K371-N375 WeakPolarHBondContact O-CB 3.23Å; K371-N375 PolarHBondContact O-N 2.89Å; K371-N375 PolarHBondContact O-ND2 3.11Å
372	F	94.7	Very high	94.5	Very high	23 Å²	23	56.3 Å²	56.3	10%	0.101	28%	0.281	C	S	.	.	H	α-helix	trans	-51.3	-55.4	-175.8	174.3	-105.5	0	0	0	114.1	F368 N375 R376 L379 W404 C444 T445 A447 V450	F368-F372 WeakPolarHBondContact O-CA 3.27Å; F368-F372 VanDerWaalsContact O-CB 3.27Å; F368-F372 WeakPolarHBondContact O-CB 3.3Å; F368-F372 PolarHBondContact O-N 2.84Å; F372-N375 CarbonylContact O-C 3.57Å; F372-N375 PolarHBondContact O-N 2.91Å; F372-R376 HydrophobicContact CE1-CB 4.32Å; F372-R376 HydrophobicContact CE2-CB 4.01Å; F372-R376 HydrophobicContact CZ-CB 3.87Å; F372-R376 WeakPolarHBondContact O-CB 3.3Å; F372-R376 PolarHBondContact O-N 2.81Å; F372-L379 HydrophobicContact CD2-CD2 4.25Å; F372-L379 HydrophobicContact CE2-CD2 4Å; F372-W404 HydrophobicContact CZ-CH2 4.13Å; F372-C444 VanDerWaalsContact CE1-O 3.25Å; F372-C444 WeakPolarHBondContact CE1-O 3.5Å; F372-C444 VanDerWaalsContact CZ-O 3.25Å; F372-C444 WeakPolarHBondContact CZ-O 3.42Å; F372-T445 WeakPolarHBondContact CD1-O 3.25Å; F372-T445 WeakPolarHBondContact CE1-O 3.25Å; F372-A447 HydrophobicContact CD2-CB 4.11Å; F372-V450 HydrophobicContact CE2-CB 4.46Å; F372-V450 HydrophobicContact CE2-CG2 3.54Å; F372-V450 HydrophobicContact CZ-CG2 3.51Å
373	K	94.8	Very high	95	Very high	149 Å²	149	55.6 Å²	55.6	65%	0.648	28%	0.277	S	S	*	.	H	α-helix	trans	-55.1	-49.5	-170	-171.7	-176.7	176.4	-169	0	114.7	K371 R376	K371-K373 PolarHBondContact O-N 3.45Å; K373-R376 WeakPolarHBondContact O-CD 3.39Å; K373-R376 WeakPolarHBondContact O-CG 3.46Å
374	P	96.8	Very high	95.4	Very high	99 Å²	99	52.8 Å²	52.8	64%	0.643	26%	0.258	S	S	*	.	H	α-helix	trans	-68.9	-35.9	175.2	26.1	-34.7	0	0	0	112.8	K371 R376	K371-P374 HydrophobicContact CB-CG 4.24Å; K371-P374 VanDerWaalsContact O-CD 3.23Å; K371-P374 WeakPolarHBondContact O-CD 3.26Å; K371-P374 WeakPolarHBondContact O-CG 3.43Å; P374-R376 VanDerWaalsContact C-N 3.32Å; P374-R376 PolarHBondContact O-N 3.43Å
375	N	97.1	Very high	95.8	Very high	35 Å²	35	55.3 Å²	55.3	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-88.6	5.3	-172.4	-58	-20.2	0	0	0	113.6	K367 F368 K371 F372 S377 E378 L379	K367-N375 PolarHBondContact O-ND2 3.28Å; F368-N375 HydrophobicContact CD1-CB 3.7Å; F368-N375 HydrophobicContact CE1-CB 4.09Å; K371-N375 WeakPolarHBondContact O-CB 3.23Å; K371-N375 PolarHBondContact O-N 2.89Å; K371-N375 PolarHBondContact O-ND2 3.11Å; F372-N375 CarbonylContact O-C 3.57Å; F372-N375 PolarHBondContact O-N 2.91Å; N375-S377 PolarHBondContact O-N 3.42Å; N375-E378 PolarHBondContact O-N 3.01Å; N375-L379 WeakPolarHBondContact O-CB 3.31Å; N375-L379 PolarHBondContact O-N 3.5Å
376	R	97.5	Very high	96	Very high	38 Å²	38	55.9 Å²	55.9	14%	0.143	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-33.7	-170.7	73	-178.1	-172.7	-166	-1	114.4	F372 K373 P374 A380 W404 E441	F372-R376 HydrophobicContact CE1-CB 4.32Å; F372-R376 HydrophobicContact CE2-CB 4.01Å; F372-R376 HydrophobicContact CZ-CB 3.87Å; F372-R376 WeakPolarHBondContact O-CB 3.3Å; F372-R376 PolarHBondContact O-N 2.81Å; K373-R376 WeakPolarHBondContact O-CD 3.39Å; K373-R376 WeakPolarHBondContact O-CG 3.46Å; P374-R376 VanDerWaalsContact C-N 3.32Å; P374-R376 PolarHBondContact O-N 3.43Å; R376-A380 PolarHBondContact O-N 3.39Å; R376-A380 VanDerWaalsContact O-N 3.14Å; R376-W404 HydrophobicContact CB-CH2 3.97Å; R376-W404 HydrophobicContact CB-CZ2 3.6Å; R376-W404 HydrophobicContact CG-CD2 4.08Å; R376-W404 HydrophobicContact CG-CH2 4.17Å; R376-W404 HydrophobicContact CG-CZ2 3.69Å; R376-E441 IonicContact CZ-OE1 3.79Å; R376-E441 IonicContact CZ-OE2 3.06Å; R376-E441 IonicContact NH1-OE1 2.93Å; R376-E441 IonicContact NH1-OE2 2.87Å; R376-E441 PolarHBondContact NH1-OE2 2.96Å; R376-E441 IonicContact NH2-OE1 3.3Å; R376-E441 PolarHBondContact NH2-OE1 3.38Å; R376-E441 IonicContact NH2-OE2 2.7Å; R376-E441 PolarHBondContact NH2-OE2 2.94Å
377	S	97.9	Very high	96.3	Very high	51 Å²	51	53.9 Å²	53.9	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-73.6	-48.7	179.1	-53.3	0	0	0	0	110.7	N375 L379 A380 E381	N375-S377 PolarHBondContact O-N 3.42Å; S377-L379 VanDerWaalsContact C-N 3.25Å; S377-L379 PolarHBondContact O-N 2.77Å; S377-A380 PolarHBondContact O-N 3.42Å; S377-E381 PolarHBondContact O-N 2.98Å
378	E	97.6	Very high	96.6	Very high	81 Å²	81	50.1 Å²	50.1	38%	0.379	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-38.8	174.4	-167	-145.9	152.6	0	0	111.5	K367 F368 N375 K382	K367-E378 IonicContact NZ-OE1 3.26Å; K367-E378 PolarHBondContact NZ-OE1 3.31Å; K367-E378 IonicContact NZ-OE2 3.48Å; K367-E378 PolarHBondContact NZ-OE2 2.86Å; F368-E378 HydrophobicContact CE1-CB 4.11Å; F368-E378 HydrophobicContact CE1-CG 4.22Å; F368-E378 HydrophobicContact CZ-CG 4.31Å; F368-E378 WeakPolarHBondContact CZ-OE1 3.12Å; N375-E378 PolarHBondContact O-N 3.01Å; E378-K382 VanDerWaalsContact O-CB 3.29Å; E378-K382 WeakPolarHBondContact O-CB 3.17Å; E378-K382 PolarHBondContact O-N 2.88Å
379	L	98.1	Very high	96.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-47.8	173.2	-179.9	61.4	0	0	0	111.8	F339 L343 F368 F372 N375 S377 K382 L383 A447 V450	F339-L379 HydrophobicContact CZ-CD1 4.17Å; L343-L379 HydrophobicContact CD1-CD1 4.02Å; L343-L379 HydrophobicContact CD2-CD1 4.03Å; F368-L379 HydrophobicContact CB-CD1 4.04Å; F368-L379 HydrophobicContact CB-CD2 4.29Å; F368-L379 HydrophobicContact CD1-CB 3.59Å; F368-L379 HydrophobicContact CD1-CD1 4.07Å; F368-L379 HydrophobicContact CD1-CG 4.29Å; F368-L379 HydrophobicContact CD2-CD1 4.01Å; F368-L379 HydrophobicContact CE1-CB 3.85Å; F368-L379 HydrophobicContact CE1-CD1 4.49Å; F368-L379 HydrophobicContact CE2-CD1 4.45Å; F368-L379 HydrophobicContact CG-CB 4.19Å; F368-L379 HydrophobicContact CG-CD1 3.79Å; F368-L379 HydrophobicContact CG-CG 4.4Å; F372-L379 HydrophobicContact CD2-CD2 4.25Å; F372-L379 HydrophobicContact CE2-CD2 4Å; N375-L379 WeakPolarHBondContact O-CB 3.31Å; N375-L379 PolarHBondContact O-N 3.5Å; S377-L379 VanDerWaalsContact C-N 3.25Å; S377-L379 PolarHBondContact O-N 2.77Å; L379-K382 PolarHBondContact O-N 2.89Å; L379-L383 HydrophobicContact CD1-CD1 3.87Å; L379-L383 HydrophobicContact CD1-CG 4.04Å; L379-L383 HydrophobicContact CD2-CD1 4.43Å; L379-L383 HydrophobicContact CG-CD1 3.77Å; L379-L383 HydrophobicContact CG-CG 4.36Å; L379-L383 VanDerWaalsContact O-CB 3.25Å; L379-L383 WeakPolarHBondContact O-CB 3.27Å; L379-L383 VanDerWaalsContact O-CG 3.22Å; L379-L383 WeakPolarHBondContact O-CG 3.37Å; L379-L383 PolarHBondContact O-N 3.03Å; L379-A447 HydrophobicContact CD2-CB 3.72Å; L379-V450 HydrophobicContact CD2-CB 4.1Å; L379-V450 HydrophobicContact CD2-CG1 4.26Å; L379-V450 HydrophobicContact CG-CG1 4.39Å
380	A	98.5	Very high	96.9	Very high	1 Å²	1	57 Å²	57	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-39.6	-178.5	0	0	0	0	0	111.9	R376 S377 Y384 I402 L439 V450 L454	R376-A380 PolarHBondContact O-N 3.39Å; R376-A380 VanDerWaalsContact O-N 3.14Å; S377-A380 PolarHBondContact O-N 3.42Å; A380-Y384 WeakPolarHBondContact O-CB 3.16Å; A380-Y384 PolarHBondContact O-N 3.29Å; A380-I402 HydrophobicContact CB-CD1 4.48Å; A380-I402 HydrophobicContact CB-CG2 4.18Å; A380-L439 HydrophobicContact CB-CD1 4.14Å; A380-V450 HydrophobicContact CB-CG1 4.15Å; A380-L454 HydrophobicContact CB-CD2 4.19Å; A380-L454 VanDerWaalsContact O-CD2 3.24Å; A380-L454 WeakPolarHBondContact O-CD2 3.35Å
381	E	97.9	Very high	97.2	Very high	112 Å²	112	52 Å²	52	52%	0.523	25%	0.25	S	S	.	.	H	α-helix	trans	-66.9	-47.1	175.6	-70.2	174.5	-154.4	0	0	112	S377 L383 Y384 Q385	S377-E381 PolarHBondContact O-N 2.98Å; E381-L383 VanDerWaalsContact C-N 3.34Å; E381-L383 PolarHBondContact O-N 3.13Å; E381-Y384 PolarHBondContact O-N 3.27Å; E381-Q385 WeakPolarHBondContact O-CG 3.48Å; E381-Q385 PolarHBondContact O-N 3.19Å
382	K	97.5	Very high	97.4	Very high	51 Å²	51	45.3 Å²	45.3	22%	0.222	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-41.4	176	-178.3	166.4	179.6	166.6	0	111.7	F339 D364 F368 E378 L379 I386	F339-K382 HydrophobicContact CE1-CD 3.99Å; F339-K382 HydrophobicContact CE1-CG 4.08Å; F339-K382 HydrophobicContact CZ-CD 3.81Å; F339-K382 HydrophobicContact CZ-CG 4.32Å; D364-K382 IonicContact OD2-NZ 3.27Å; D364-K382 PolarHBondContact OD2-NZ 3.32Å; F368-K382 HydrophobicContact CE2-CD 4.26Å; F368-K382 HydrophobicContact CZ-CD 4.35Å; E378-K382 VanDerWaalsContact O-CB 3.29Å; E378-K382 WeakPolarHBondContact O-CB 3.17Å; E378-K382 PolarHBondContact O-N 2.88Å; L379-K382 PolarHBondContact O-N 2.89Å; K382-I386 HydrophobicContact CG-CD1 3.86Å; K382-I386 WeakPolarHBondContact O-CB 3.37Å; K382-I386 WeakPolarHBondContact O-CD1 3.33Å; K382-I386 WeakPolarHBondContact O-CG1 3.4Å; K382-I386 PolarHBondContact O-N 3.26Å; K382-I386 VanDerWaalsContact O-N 3.11Å
383	L	98.2	Very high	97.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-45.9	174.1	-78.4	170.5	0	0	0	112	V340 L343 L379 E381 Q385 I386 Y387 V450 R451 L454	V340-L383 HydrophobicContact CG1-CD2 4.37Å; V340-L383 HydrophobicContact CG2-CD2 3.78Å; L343-L383 HydrophobicContact CD1-CD1 4.3Å; L343-L383 HydrophobicContact CD1-CD2 3.89Å; L343-L383 HydrophobicContact CD1-CG 4.47Å; L379-L383 HydrophobicContact CD1-CD1 3.87Å; L379-L383 HydrophobicContact CD1-CG 4.04Å; L379-L383 HydrophobicContact CD2-CD1 4.43Å; L379-L383 HydrophobicContact CG-CD1 3.77Å; L379-L383 HydrophobicContact CG-CG 4.36Å; L379-L383 VanDerWaalsContact O-CB 3.25Å; L379-L383 WeakPolarHBondContact O-CB 3.27Å; L379-L383 VanDerWaalsContact O-CG 3.22Å; L379-L383 WeakPolarHBondContact O-CG 3.37Å; L379-L383 PolarHBondContact O-N 3.03Å; E381-L383 VanDerWaalsContact C-N 3.34Å; E381-L383 PolarHBondContact O-N 3.13Å; L383-Q385 VanDerWaalsContact C-N 3.35Å; L383-Q385 PolarHBondContact O-N 2.89Å; L383-I386 PolarHBondContact O-N 3.23Å; L383-Y387 HydrophobicContact CB-CD2 4.19Å; L383-Y387 HydrophobicContact CB-CE2 3.88Å; L383-Y387 HydrophobicContact CD2-CE2 4Å; L383-Y387 HydrophobicContact CG-CE2 4.43Å; L383-Y387 WeakPolarHBondContact O-CB 3.33Å; L383-Y387 WeakPolarHBondContact O-CD2 3.29Å; L383-Y387 VanDerWaalsContact O-CG 3.26Å; L383-Y387 PolarHBondContact O-N 2.85Å; L383-V450 HydrophobicContact CD1-CG1 3.91Å; L383-R451 HydrophobicContact CD1-CB 4.32Å; L383-R451 HydrophobicContact CD2-CG 4.48Å; L383-L454 HydrophobicContact CB-CD2 3.78Å
384	Y	98.6	Very high	97.7	Very high	6 Å²	6	46 Å²	46	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-46.5	178.5	175.7	-96.8	0	0	0	112	A380 E381 Y387 N388 L396 P397 L400 I402 I458	A380-Y384 WeakPolarHBondContact O-CB 3.16Å; A380-Y384 PolarHBondContact O-N 3.29Å; E381-Y384 PolarHBondContact O-N 3.27Å; Y384-Y387 PolarHBondContact O-N 2.95Å; Y384-N388 HydrophobicContact CE1-CB 4.43Å; Y384-N388 WeakPolarHBondContact O-CB 3.45Å; Y384-N388 PolarHBondContact O-N 3.34Å; Y384-L396 HydrophobicContact CE2-CD1 4.32Å; Y384-L396 VanDerWaalsContact OH-CB 3.23Å; Y384-L396 WeakPolarHBondContact OH-CB 3.22Å; Y384-P397 WeakPolarHBondContact CE1-O 3.29Å; Y384-P397 PolarHBondContact OH-O 3.14Å; Y384-L400 HydrophobicContact CD1-CB 4.46Å; Y384-L400 HydrophobicContact CD2-CB 4.17Å; Y384-L400 HydrophobicContact CD2-CD2 4.15Å; Y384-L400 HydrophobicContact CE1-CB 3.87Å; Y384-L400 HydrophobicContact CE2-CB 3.55Å; Y384-L400 HydrophobicContact CE2-CD2 3.54Å; Y384-L400 HydrophobicContact CE2-CG 4.2Å; Y384-I402 HydrophobicContact CD2-CD1 4.46Å; Y384-I402 HydrophobicContact CG-CD1 4.2Å; Y384-I458 HydrophobicContact CD2-CD1 3.71Å; Y384-I458 HydrophobicContact CD2-CG1 4.02Å; Y384-I458 HydrophobicContact CE2-CD1 4.36Å; Y384-I458 HydrophobicContact CE2-CG1 4.32Å
385	Q	97.8	Very high	97.7	Very high	118 Å²	118	46.2 Å²	46.2	55%	0.551	23%	0.232	S	C	*	.	H	α-helix	trans	-58.7	-50.1	176.8	-70.1	169.8	2.5	0	0	111.3	E381 L383 Y387 N388 E389	E381-Q385 WeakPolarHBondContact O-CG 3.48Å; E381-Q385 PolarHBondContact O-N 3.19Å; L383-Q385 VanDerWaalsContact C-N 3.35Å; L383-Q385 PolarHBondContact O-N 2.89Å; Q385-Y387 PolarHBondContact O-N 2.83Å; Q385-N388 PolarHBondContact O-N 3.26Å; Q385-E389 WeakPolarHBondContact O-CB 3.5Å; Q385-E389 PolarHBondContact O-N 2.95Å
386	I	97.6	Very high	97.7	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-43.7	178.9	-70.6	169.1	0	0	0	111.4	T336 F339 V340 K382 L383 K390 W488	T336-I386 HydrophobicContact CG2-CD1 4.35Å; T336-I386 HydrophobicContact CG2-CG1 4.47Å; F339-I386 HydrophobicContact CD1-CD1 3.78Å; F339-I386 HydrophobicContact CE1-CD1 3.95Å; V340-I386 HydrophobicContact CG2-CG2 4.07Å; K382-I386 HydrophobicContact CG-CD1 3.86Å; K382-I386 WeakPolarHBondContact O-CB 3.37Å; K382-I386 WeakPolarHBondContact O-CD1 3.33Å; K382-I386 WeakPolarHBondContact O-CG1 3.4Å; K382-I386 PolarHBondContact O-N 3.26Å; K382-I386 VanDerWaalsContact O-N 3.11Å; L383-I386 PolarHBondContact O-N 3.23Å; I386-K390 HydrophobicContact CG2-CG 4.39Å; I386-K390 WeakPolarHBondContact O-CB 3.18Å; I386-K390 WeakPolarHBondContact O-CG 3.46Å; I386-K390 PolarHBondContact O-N 3.31Å; I386-W488 HydrophobicContact CG2-CH2 3.43Å; I386-W488 VanDerWaalsContact CG2-CH2 3.43Å; I386-W488 HydrophobicContact CG2-CZ2 4.31Å; I386-W488 HydrophobicContact CG2-CZ3 4.18Å
387	Y	98.1	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.6	-44.8	178.4	-68.1	-44.3	0	0	0	112.4	V340 L383 Y384 Q385 E389 I391 F392 R451 L455 I458 W488	V340-Y387 HydrophobicContact CG1-CE1 4.36Å; L383-Y387 HydrophobicContact CB-CD2 4.19Å; L383-Y387 HydrophobicContact CB-CE2 3.88Å; L383-Y387 HydrophobicContact CD2-CE2 4Å; L383-Y387 HydrophobicContact CG-CE2 4.43Å; L383-Y387 WeakPolarHBondContact O-CB 3.33Å; L383-Y387 WeakPolarHBondContact O-CD2 3.29Å; L383-Y387 VanDerWaalsContact O-CG 3.26Å; L383-Y387 PolarHBondContact O-N 2.85Å; Y384-Y387 PolarHBondContact O-N 2.95Å; Q385-Y387 PolarHBondContact O-N 2.83Å; Y387-E389 VanDerWaalsContact C-N 3.31Å; Y387-E389 PolarHBondContact O-N 3.43Å; Y387-I391 HydrophobicContact CD1-CD1 3.68Å; Y387-I391 HydrophobicContact CE1-CD1 4.23Å; Y387-I391 WeakPolarHBondContact O-CA 3.4Å; Y387-I391 WeakPolarHBondContact O-CB 3.46Å; Y387-I391 PolarHBondContact O-N 3.31Å; Y387-F392 WeakPolarHBondContact O-CD2 3.47Å; Y387-F392 PolarHBondContact O-N 3.08Å; Y387-F392 VanDerWaalsContact O-N 3.15Å; Y387-R451 WeakPolarHBondContact OH-CG 3.43Å; Y387-R451 PolarHBondContact OH-O 3.14Å; Y387-R451 VanDerWaalsContact OH-O 3.11Å; Y387-L455 HydrophobicContact CD1-CD1 3.78Å; Y387-L455 HydrophobicContact CD1-CD2 4.28Å; Y387-L455 HydrophobicContact CD2-CD1 4.07Å; Y387-L455 HydrophobicContact CE1-CB 4.48Å; Y387-L455 HydrophobicContact CE1-CD1 3.98Å; Y387-L455 HydrophobicContact CE1-CD2 3.69Å; Y387-L455 HydrophobicContact CE1-CG 4.28Å; Y387-L455 HydrophobicContact CE2-CB 3.99Å; Y387-L455 HydrophobicContact CE2-CD1 4.27Å; Y387-L455 HydrophobicContact CG-CD1 3.82Å; Y387-I458 HydrophobicContact CD2-CD1 3.71Å; Y387-I458 HydrophobicContact CG-CD1 4.34Å; Y387-W488 HydrophobicContact CD1-CE3 4.44Å; Y387-W488 AromaticContact CD1-CZ3 3.9Å; Y387-W488 HydrophobicContact CD1-CZ3 3.9Å; Y387-W488 HydrophobicContact CE1-CE3 4.16Å; Y387-W488 AromaticContact CE1-CZ3 3.69Å; Y387-W488 HydrophobicContact CE1-CZ3 3.69Å
388	N	98.2	Very high	97.6	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-44.6	177.9	-168.8	17	0	0	0	110.5	Y384 Q385 F392 S393 N394 L396	Y384-N388 HydrophobicContact CE1-CB 4.43Å; Y384-N388 WeakPolarHBondContact O-CB 3.45Å; Y384-N388 PolarHBondContact O-N 3.34Å; Q385-N388 PolarHBondContact O-N 3.26Å; N388-F392 CarbonylContact O-C 3.59Å; N388-F392 VanDerWaalsContact O-C 3.31Å; N388-F392 PolarHBondContact O-N 2.88Å; N388-S393 PolarHBondContact O-N 3.38Å; N388-N394 PolarHBondContact O-N 3.28Å; N388-N394 VanDerWaalsContact OD1-CA 3.32Å; N388-N394 WeakPolarHBondContact OD1-CA 3.4Å; N388-L396 PolarHBondContact ND2-O 3.05Å; N388-L396 WeakPolarHBondContact OD1-CB 3.25Å; N388-L396 PolarHBondContact OD1-N 2.95Å; N388-L396 VanDerWaalsContact OD1-N 3.16Å
389	E	97.7	Very high	97.4	Very high	87 Å²	87	51.8 Å²	51.8	41%	0.407	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-54	178	-162.8	-143	153.6	0	0	112.5	Q385 Y387 N394	Q385-E389 WeakPolarHBondContact O-CB 3.5Å; Q385-E389 PolarHBondContact O-N 2.95Å; Y387-E389 VanDerWaalsContact C-N 3.31Å; Y387-E389 PolarHBondContact O-N 3.43Å; E389-N394 WeakPolarHBondContact CA-OD1 3.42Å
390	K	96.7	Very high	97.3	Very high	83 Å²	83	52.5 Å²	52.5	36%	0.361	27%	0.265	S	S	.	.	H	α-helix	trans	-87.3	-28.2	-167.8	-57.6	-53	-173.6	-167	0	114.9	I386 W488	I386-K390 HydrophobicContact CG2-CG 4.39Å; I386-K390 WeakPolarHBondContact O-CB 3.18Å; I386-K390 WeakPolarHBondContact O-CG 3.46Å; I386-K390 PolarHBondContact O-N 3.31Å; K390-W488 HydrophobicContact CB-CZ2 4.07Å; K390-W488 HydrophobicContact CG-CZ2 4.09Å
391	I	97.3	Very high	97.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-40.6	-175	-56.5	-178.7	0	0	0	111.8	Y387 L455 H483 V484 V487 W488	Y387-I391 HydrophobicContact CD1-CD1 3.68Å; Y387-I391 HydrophobicContact CE1-CD1 4.23Å; Y387-I391 WeakPolarHBondContact O-CA 3.4Å; Y387-I391 WeakPolarHBondContact O-CB 3.46Å; Y387-I391 PolarHBondContact O-N 3.31Å; I391-L455 HydrophobicContact CD1-CD1 4.05Å; I391-L455 HydrophobicContact CD1-CD2 4.3Å; I391-H483 PolarHBondContact O-CD2 3.03Å; I391-H483 PolarHBondContact O-NE2 2.71Å; I391-V484 HydrophobicContact CD1-CG1 4.3Å; I391-V484 HydrophobicContact CD1-CG2 4.29Å; I391-V484 HydrophobicContact CG2-CG2 3.8Å; I391-V487 HydrophobicContact CG1-CG1 4.23Å; I391-W488 HydrophobicContact CD1-CD2 4.43Å; I391-W488 HydrophobicContact CD1-CE3 3.94Å; I391-W488 HydrophobicContact CD1-CZ3 4.48Å
392	F	97.6	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-99.7	5.5	-177.4	-57.8	-86.9	0	0	0	113.4	Y387 N388 N394 Q395 L396 L455 I458 A462 I466 W480	Y387-F392 WeakPolarHBondContact O-CD2 3.47Å; Y387-F392 PolarHBondContact O-N 3.08Å; Y387-F392 VanDerWaalsContact O-N 3.15Å; N388-F392 CarbonylContact O-C 3.59Å; N388-F392 VanDerWaalsContact O-C 3.31Å; N388-F392 PolarHBondContact O-N 2.88Å; F392-N394 PolarHBondContact O-N 3.35Å; F392-Q395 VanDerWaalsContact O-CB 3.26Å; F392-Q395 WeakPolarHBondContact O-CB 3.31Å; F392-Q395 VanDerWaalsContact O-CG 3.32Å; F392-Q395 WeakPolarHBondContact O-CG 3.04Å; F392-Q395 PolarHBondContact O-N 2.56Å; F392-Q395 PolarHBondContact O-NE2 2.81Å; F392-L396 HydrophobicContact CB-CD1 3.93Å; F392-L396 HydrophobicContact CB-CG 4.02Å; F392-L396 HydrophobicContact CD1-CD1 4.23Å; F392-L396 HydrophobicContact CD2-CD1 3.97Å; F392-L396 HydrophobicContact CG-CD1 3.76Å; F392-L396 HydrophobicContact CG-CG 4.28Å; F392-L455 HydrophobicContact CE2-CD1 4.05Å; F392-L455 HydrophobicContact CZ-CD1 4.45Å; F392-I458 HydrophobicContact CD2-CG2 3.8Å; F392-I458 HydrophobicContact CE1-CG2 4.29Å; F392-I458 HydrophobicContact CE2-CB 4.37Å; F392-I458 HydrophobicContact CE2-CG2 3.33Å; F392-I458 HydrophobicContact CG-CG2 4.48Å; F392-I458 HydrophobicContact CZ-CG2 3.62Å; F392-A462 HydrophobicContact CD1-CB 3.73Å; F392-A462 HydrophobicContact CE1-CB 3.52Å; F392-I466 HydrophobicContact CD1-CD1 4.45Å; F392-W480 HydrophobicContact CD1-CD2 4.17Å; F392-W480 AromaticContact CD1-CE3 3.58Å; F392-W480 HydrophobicContact CD1-CE3 3.58Å; F392-W480 HydrophobicContact CD1-CH2 4.05Å; F392-W480 AromaticContact CD1-CZ3 3.51Å; F392-W480 HydrophobicContact CD1-CZ3 3.51Å; F392-W480 HydrophobicContact CE1-CB 4.5Å; F392-W480 AromaticContact CE1-CD2 3.8Å; F392-W480 HydrophobicContact CE1-CD2 3.8Å; F392-W480 AromaticContact CE1-CE3 3.41Å; F392-W480 HydrophobicContact CE1-CE3 3.41Å; F392-W480 VanDerWaalsContact CE1-CE3 3.41Å; F392-W480 HydrophobicContact CE1-CG 4.29Å; F392-W480 AromaticContact CE1-CZ3 3.89Å; F392-W480 HydrophobicContact CE1-CZ3 3.89Å
393	S	96.9	Very high	97.2	Very high	82 Å²	82	54 Å²	54	57%	0.573	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	35.3	176.8	-50.3	0	0	0	0	114.4	N388 Q395	N388-S393 PolarHBondContact O-N 3.38Å; S393-Q395 PolarHBondContact O-N 3.47Å
394	N	97.6	Very high	97.2	Very high	104 Å²	104	55.7 Å²	55.7	56%	0.556	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	27.1	-174.8	-59.7	-68.1	0	0	0	114.7	N388 E389 F392	N388-N394 PolarHBondContact O-N 3.28Å; N388-N394 VanDerWaalsContact OD1-CA 3.32Å; N388-N394 WeakPolarHBondContact OD1-CA 3.4Å; E389-N394 WeakPolarHBondContact CA-OD1 3.42Å; F392-N394 PolarHBondContact O-N 3.35Å
395	Q	97.3	Very high	97.1	Very high	103 Å²	103	56.2 Å²	56.2	48%	0.481	29%	0.286	S	S	.	.			trans	-81.1	-13.7	175.6	-66.8	171.2	100.4	0	0	113.5	F392 S393 I466	F392-Q395 VanDerWaalsContact O-CB 3.26Å; F392-Q395 WeakPolarHBondContact O-CB 3.31Å; F392-Q395 VanDerWaalsContact O-CG 3.32Å; F392-Q395 WeakPolarHBondContact O-CG 3.04Å; F392-Q395 PolarHBondContact O-N 2.56Å; F392-Q395 PolarHBondContact O-NE2 2.81Å; S393-Q395 PolarHBondContact O-N 3.47Å; Q395-I466 HydrophobicContact CB-CD1 3.58Å; Q395-I466 HydrophobicContact CB-CG1 4.05Å
396	L	97.4	Very high	97	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	29%	0.285	C	S	.	.	S	Bend	trans	-90.5	156.7	172.1	-51.5	171	0	0	0	110.1	Y384 N388 F392 I458 A462 L465 I466	Y384-L396 HydrophobicContact CE2-CD1 4.32Å; Y384-L396 VanDerWaalsContact OH-CB 3.23Å; Y384-L396 WeakPolarHBondContact OH-CB 3.22Å; N388-L396 PolarHBondContact ND2-O 3.05Å; N388-L396 WeakPolarHBondContact OD1-CB 3.25Å; N388-L396 PolarHBondContact OD1-N 2.95Å; N388-L396 VanDerWaalsContact OD1-N 3.16Å; F392-L396 HydrophobicContact CB-CD1 3.93Å; F392-L396 HydrophobicContact CB-CG 4.02Å; F392-L396 HydrophobicContact CD1-CD1 4.23Å; F392-L396 HydrophobicContact CD2-CD1 3.97Å; F392-L396 HydrophobicContact CG-CD1 3.76Å; F392-L396 HydrophobicContact CG-CG 4.28Å; L396-I458 HydrophobicContact CD1-CG2 3.46Å; L396-I458 VanDerWaalsContact CD1-CG2 3.46Å; L396-A462 HydrophobicContact CD2-CB 4.1Å; L396-L465 HydrophobicContact CD2-CB 4.41Å; L396-L465 HydrophobicContact CD2-CD1 4.32Å; L396-I466 HydrophobicContact CD2-CD1 3.65Å; L396-I466 HydrophobicContact CD2-CG1 3.82Å; L396-I466 HydrophobicContact CG-CD1 4.22Å
397	P	96.3	Very high	96.8	Very high	25 Å²	25	63.1 Å²	63.1	16%	0.162	31%	0.306	C	S	.	.			trans	-51.6	140	178.1	-28.5	35.9	0	0	0	112.8	Y384 K399 L465	Y384-P397 WeakPolarHBondContact CE1-O 3.29Å; Y384-P397 PolarHBondContact OH-O 3.14Å; P397-K399 PolarHBondContact O-N 2.88Å; P397-L465 HydrophobicContact CG-CD1 4.15Å
398	P	95.9	Very high	96.6	Very high	109 Å²	109	64.3 Å²	64.3	71%	0.708	31%	0.312	S	S	*	.	S	Bend	trans	-56.6	-26.3	-179.9	-28.2	35.8	0	0	0	114.3
399	K	94.8	Very high	96.4	Very high	186 Å²	186	67.3 Å²	67.3	81%	0.809	33%	0.328	S	S	*	.	S	Bend	trans	-128.9	117.7	168.3	-175.1	176.5	-177.9	178.3	0	108.9	P397	P397-K399 PolarHBondContact O-N 2.88Å
400	L	96	Very high	96	Very high	14 Å²	14	72.4 Å²	72.4	7%	0.073	35%	0.349	C	S	.	.			trans	-101.8	146.1	166.4	-172	68.1	0	0	0	108.4	Y384 A435 I437 A461 L465	Y384-L400 HydrophobicContact CD1-CB 4.46Å; Y384-L400 HydrophobicContact CD2-CB 4.17Å; Y384-L400 HydrophobicContact CD2-CD2 4.15Å; Y384-L400 HydrophobicContact CE1-CB 3.87Å; Y384-L400 HydrophobicContact CE2-CB 3.55Å; Y384-L400 HydrophobicContact CE2-CD2 3.54Å; Y384-L400 HydrophobicContact CE2-CG 4.2Å; L400-A435 HydrophobicContact CD1-CB 4.19Å; L400-A435 WeakPolarHBondContact CD1-O 3.42Å; L400-I437 HydrophobicContact CD2-CD1 3.55Å; L400-I437 HydrophobicContact CD2-CG1 3.97Å; L400-A461 HydrophobicContact CD2-CB 4.23Å; L400-L465 HydrophobicContact CD1-CD1 4.34Å
401	E	96.2	Very high	95.8	Very high	103 Å²	103	71.5 Å²	71.5	48%	0.481	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.3	179.6	-170.5	176.9	-150.8	0	0	110.9	I403 Q436 I437	E401-I403 HydrophobicContact CG-CD1 4.26Å; E401-I403 HydrophobicContact CG-CG1 3.97Å; E401-Q436 HydrophobicContact CB-CG 4.19Å; E401-Q436 HydrophobicContact CG-CG 4.18Å; E401-Q436 PolarHBondContact OE2-NE2 3.41Å; E401-I437 PolarHBondContact O-N 3.49Å
402	I	98.1	Very high	95.8	Very high	32 Å²	32	71.8 Å²	71.8	16%	0.164	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.7	-179.6	-55.6	173.6	0	0	0	109.4	A380 Y384 I437 L439 L454	A380-I402 HydrophobicContact CB-CD1 4.48Å; A380-I402 HydrophobicContact CB-CG2 4.18Å; Y384-I402 HydrophobicContact CD2-CD1 4.46Å; Y384-I402 HydrophobicContact CG-CD1 4.2Å; I402-I437 CarbonylContact C-O 3.5Å; I402-I437 VanDerWaalsContact CA-O 3.27Å; I402-I437 WeakPolarHBondContact CA-O 3.39Å; I402-I437 HydrophobicContact CG1-CB 4.46Å; I402-L439 HydrophobicContact CG2-CD1 3.82Å; I402-L439 HydrophobicContact CG2-CG 4.14Å; I402-L454 HydrophobicContact CD1-CD1 3.92Å; I402-L454 HydrophobicContact CD1-CD2 4.36Å
403	I	97.8	Very high	95.8	Very high	61 Å²	61	71.9 Å²	71.9	31%	0.313	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.8	-173.7	-57.4	-173.7	0	0	0	111.1	E401 S405 Q436 I437 L438 L439	E401-I403 HydrophobicContact CG-CD1 4.26Å; E401-I403 HydrophobicContact CG-CG1 3.97Å; I403-S405 PolarHBondContact O-N 2.92Å; I403-Q436 HydrophobicContact CD1-CG 4.05Å; I403-Q436 HydrophobicContact CG1-CG 4.3Å; I403-I437 PolarHBondContact N-O 3.31Å; I403-L438 HydrophobicContact CB-CG 4.44Å; I403-L438 CarbonylContact O-C 3.59Å; I403-L438 VanDerWaalsContact O-CA 3.31Å; I403-L438 WeakPolarHBondContact O-CA 3.21Å; I403-L439 PolarHBondContact O-N 2.88Å
404	W	98.1	Very high	95.8	Very high	35 Å²	35	71.6 Å²	71.6	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	101.8	173.4	-79	92.6	0	0	0	111.5	F372 R376 L439 E441 C444 V450	F372-W404 HydrophobicContact CZ-CH2 4.13Å; R376-W404 HydrophobicContact CB-CH2 3.97Å; R376-W404 HydrophobicContact CB-CZ2 3.6Å; R376-W404 HydrophobicContact CG-CD2 4.08Å; R376-W404 HydrophobicContact CG-CH2 4.17Å; R376-W404 HydrophobicContact CG-CZ2 3.69Å; W404-L439 CarbonylContact C-O 3.56Å; W404-L439 HydrophobicContact CD2-CB 4.33Å; W404-L439 HydrophobicContact CE3-CB 4.15Å; W404-L439 HydrophobicContact CH2-CB 4.3Å; W404-L439 HydrophobicContact CH2-CD1 4.41Å; W404-L439 HydrophobicContact CZ2-CB 4.43Å; W404-L439 HydrophobicContact CZ2-CD1 4.06Å; W404-L439 HydrophobicContact CZ3-CB 4.15Å; W404-E441 HydrophobicContact CE3-CG 4.47Å; W404-C444 HydrophobicContact CH2-CB 4.17Å; W404-C444 HydrophobicContact CZ3-CB 4.09Å; W404-V450 HydrophobicContact CH2-CG2 3.61Å; W404-V450 HydrophobicContact CZ2-CG2 4.06Å
405	S	96.8	Very high	95.7	Very high	17 Å²	17	67 Å²	67	12%	0.119	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.6	-176.9	-179.4	0	0	0	0	112.9	I403 R407 L408 L439 E441	I403-S405 PolarHBondContact O-N 2.92Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact OG-N 2.95Å; S405-R407 VanDerWaalsContact OG-N 3.15Å; S405-L408 PolarHBondContact OG-N 2.85Å; S405-L439 PolarHBondContact N-O 2.61Å; S405-E441 PolarHBondContact O-N 3.37Å
406	R	94.8	Very high	95.6	Very high	141 Å²	141	66.3 Å²	66.3	53%	0.532	32%	0.317	S	S	.	.	S	Bend	trans	-79.8	-17.8	169.8	-65	170.2	-178.3	164.6	-0.1	113.1	D218 L409 E441	D218-R406 IonicContact OD1-NH1 2.65Å; D218-R406 IonicContact OD2-NH1 2.75Å; R406-L409 VanDerWaalsContact O-CD2 3.26Å; R406-L409 WeakPolarHBondContact O-CD2 3.24Å; R406-E441 HydrophobicContact CG-CB 4.42Å; R406-E441 HydrophobicContact CG-CG 3.91Å; R406-E441 WeakPolarHBondContact CG-OE1 3.44Å; R406-E441 IonicContact NE-OE1 3.12Å; R406-E441 PolarHBondContact NE-OE1 3.15Å
407	R	93.4	Very high	95.5	Very high	135 Å²	135	70.7 Å²	70.7	51%	0.509	33%	0.334	S	S	.	.	S	Bend	trans	-91.6	-20.4	-172.3	-58.8	177.2	71.3	179.9	6.6	112.7	D219 S405 L409	D219-R407 VanDerWaalsContact CG-CZ 3.4Å; D219-R407 IonicContact OD1-CZ 3.73Å; D219-R407 IonicContact OD1-NH1 3.53Å; D219-R407 PolarHBondContact OD1-NH1 3.21Å; D219-R407 IonicContact OD1-NH2 2.69Å; D219-R407 PolarHBondContact OD1-NH2 3.46Å; D219-R407 IonicContact OD2-CZ 2.62Å; D219-R407 IonicContact OD2-NE 2.91Å; D219-R407 IonicContact OD2-NH1 3.76Å; D219-R407 PolarHBondContact OD2-NH1 2.86Å; D219-R407 IonicContact OD2-NH2 2.96Å; D219-R407 PolarHBondContact OD2-NH2 3.31Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact OG-N 2.95Å; S405-R407 VanDerWaalsContact OG-N 3.15Å; R407-L409 VanDerWaalsContact C-N 3.3Å; R407-L409 PolarHBondContact O-N 2.84Å
408	L	94.1	Very high	95.3	Very high	24 Å²	24	74.5 Å²	74.5	13%	0.126	35%	0.351	C	S	.	.			trans	-70.3	84	168.1	-62.6	-174.1	0	0	0	110.4	S405 T411 L414 L438 S440	S405-L408 PolarHBondContact OG-N 2.85Å; L408-T411 HydrophobicContact CB-CG2 4.18Å; L408-T411 HydrophobicContact CD1-CG2 4.23Å; L408-T411 HydrophobicContact CD2-CG2 3.77Å; L408-T411 HydrophobicContact CG-CG2 4.26Å; L408-L414 HydrophobicContact CD1-CB 4.23Å; L408-L414 HydrophobicContact CD2-CB 4.43Å; L408-L414 HydrophobicContact CD2-CD2 4.48Å; L408-L438 HydrophobicContact CD1-CB 3.72Å; L408-S440 WeakPolarHBondContact O-CB 3.34Å; L408-S440 PolarHBondContact O-OG 2.59Å
409	L	93.3	Very high	95.2	Very high	69 Å²	69	73.1 Å²	73.1	36%	0.361	34%	0.336	S	S	.	.	S	Bend	trans	-92.7	-14.5	-175.8	-63.8	-174.6	0	0	0	114.8	R406 R407 K442 H520	R406-L409 VanDerWaalsContact O-CD2 3.26Å; R406-L409 WeakPolarHBondContact O-CD2 3.24Å; R407-L409 VanDerWaalsContact C-N 3.3Å; R407-L409 PolarHBondContact O-N 2.84Å; L409-K442 HydrophobicContact CD2-CB 4.44Å; L409-K442 HydrophobicContact CD2-CG 3.68Å; L409-H520 HydrophobicContact CD2-CB 4.4Å; L409-H520 PolarHBondContact O-NE2 3.19Å
410	K	90.2	Very high	95	Very high	193 Å²	193	69.4 Å²	69.4	84%	0.839	32%	0.317	S	S	*	.	S	Bend	trans	-120.5	-39.4	-175.4	-64.1	-178.8	-176.7	174.3	0	113.7	I502	K410-I502 WeakPolarHBondContact O-CD1 3.45Å
411	T	93.1	Very high	94.8	Very high	65 Å²	65	72.3 Å²	72.3	40%	0.399	34%	0.335	S	S	.	.			trans	-91.3	156.2	175.1	-175.1	0	0	0	0	111.1	L408 G413 S440 V443	L408-T411 HydrophobicContact CB-CG2 4.18Å; L408-T411 HydrophobicContact CD1-CG2 4.23Å; L408-T411 HydrophobicContact CD2-CG2 3.77Å; L408-T411 HydrophobicContact CG-CG2 4.26Å; T411-G413 WeakPolarHBondContact CG2-O 3.43Å; T411-G413 PolarHBondContact OG1-N 3.08Å; T411-G413 PolarHBondContact OG1-O 3.3Å; T411-S440 WeakPolarHBondContact O-CB 3.49Å; T411-V443 WeakPolarHBondContact O-CG2 3.08Å
412	A	96.5	Very high	94.4	Very high	7 Å²	7	70.7 Å²	70.7	6%	0.058	33%	0.329	C	S	.	.	S	Bend	trans	-77.8	-45.4	173.1	0	0	0	0	0	112	S440 V443 C444 T453 Y500	A412-S440 WeakPolarHBondContact O-CB 3.47Å; A412-S440 PolarHBondContact O-N 2.91Å; A412-V443 HydrophobicContact CB-CB 4.41Å; A412-V443 HydrophobicContact CB-CG1 3.73Å; A412-C444 PolarHBondContact O-SG 3.16Å; A412-T453 HydrophobicContact CB-CG2 3.52Å; A412-Y500 HydrophobicContact CB-CD2 3.85Å; A412-Y500 HydrophobicContact CB-CE2 3.63Å
413	G	97	Very high	94	Very high	2 Å²	2	74 Å²	74	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	175.8	179.3	0	0	0	0	0	112.7	T411 L438 E457	T411-G413 WeakPolarHBondContact CG2-O 3.43Å; T411-G413 PolarHBondContact OG1-N 3.08Å; T411-G413 PolarHBondContact OG1-O 3.3Å; G413-L438 CarbonylContact C-O 3.51Å; G413-L438 WeakPolarHBondContact CA-O 3.35Å; G413-E457 VanDerWaalsContact CA-OE1 3.29Å; G413-E457 WeakPolarHBondContact CA-OE1 3.48Å
414	L	96.5	Very high	93.4	Very high	75 Å²	75	75 Å²	75	39%	0.393	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	114.6	168	175.1	64.6	0	0	0	109.8	L408 K416 L438 E457	L408-L414 HydrophobicContact CD1-CB 4.23Å; L408-L414 HydrophobicContact CD2-CB 4.43Å; L408-L414 HydrophobicContact CD2-CD2 4.48Å; L414-K416 HydrophobicContact CD2-CG 4.39Å; L414-K416 HydrophobicContact CG-CG 4.5Å; L414-K416 PolarHBondContact O-N 3.12Å; L414-L438 HydrophobicContact CB-CB 4.41Å; L414-L438 PolarHBondContact N-O 2.62Å; L414-L438 PolarHBondContact O-N 2.7Å; L414-E457 PolarHBondContact N-OE1 2.99Å
415	C	97.1	Very high	93	Very high	9 Å²	9	80 Å²	80	6%	0.061	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	115.7	163.6	-169.3	0	0	0	0	110.4	E457 H460	C415-E457 HydrophobicContact CB-CB 4.42Å; C415-E457 PolarHBondContact N-OE2 3.48Å; C415-H460 HydrophobicContact CB-CB 3.73Å
416	K	95.3	Very high	92.6	Very high	87 Å²	87	84.7 Å²	84.7	38%	0.378	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	147.7	163.5	-73.5	-170.2	176.8	-167.2	0	109.5	L414 A435 Q436 L438	L414-K416 HydrophobicContact CD2-CG 4.39Å; L414-K416 HydrophobicContact CG-CG 4.5Å; L414-K416 PolarHBondContact O-N 3.12Å; K416-A435 CarbonylContact O-C 3.48Å; K416-A435 VanDerWaalsContact O-CA 3.26Å; K416-A435 WeakPolarHBondContact O-CA 3.31Å; K416-Q436 HydrophobicContact CB-CB 4.45Å; K416-Q436 PolarHBondContact N-O 3.28Å; K416-Q436 PolarHBondContact O-N 3.3Å; K416-L438 HydrophobicContact CB-CD1 4.4Å; K416-L438 HydrophobicContact CD-CD1 3.97Å; K416-L438 HydrophobicContact CG-CD1 3.9Å
417	Y	93.7	Very high	92.2	Very high	95 Å²	95	80.8 Å²	80.8	37%	0.373	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.1	176.4	42.8	-105.5	0	0	0	111.3	I434 W464 N470	Y417-I434 VanDerWaalsContact CA-O 3.3Å; Y417-I434 WeakPolarHBondContact CA-O 3.42Å; Y417-W464 VanDerWaalsContact CB-CD1 3.45Å; Y417-W464 HydrophobicContact CD2-CD2 4.38Å; Y417-W464 HydrophobicContact CD2-CE3 4.44Å; Y417-W464 HydrophobicContact CG-CD2 4.15Å; Y417-W464 HydrophobicContact CG-CG 4.16Å; Y417-N470 WeakPolarHBondContact CE2-ND2 3.21Å; Y417-N470 PolarHBondContact OH-ND2 3.42Å; Y417-N470 PolarHBondContact OH-OD1 2.85Å
418	M	92.6	Very high	92	Very high	105 Å²	105	77.4 Å²	77.4	52%	0.517	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.9	-179.9	63.4	179.2	66	0	0	111.7	I434 W464	M418-I434 HydrophobicContact CG-CB 3.87Å; M418-I434 HydrophobicContact CG-CG2 4.39Å; M418-I434 PolarHBondContact N-O 3.11Å; M418-I434 PolarHBondContact O-N 3.43Å; M418-W464 WeakPolarHBondContact O-CZ2 3.44Å
419	M	94	Very high	91.7	Very high	80 Å²	80	80 Å²	80	39%	0.394	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.3	161.7	-71.1	-72.1	-89.4	0	0	108.5	Q431 V432 R433 W464	M419-Q431 HydrophobicContact CE-CB 3.67Å; M419-Q431 HydrophobicContact CE-CG 4.5Å; M419-V432 WeakPolarHBondContact CA-O 3.38Å; M419-R433 HydrophobicContact SD-CB 4.39Å; M419-R433 HydrophobicContact SD-CG 3.46Å; M419-R433 WeakPolarHBondContact SD-CG 3.4Å; M419-W464 HydrophobicContact CG-CH2 4.04Å; M419-W464 HydrophobicContact CG-CZ2 3.94Å; M419-W464 HydrophobicContact SD-CH2 4.33Å; M419-W464 HydrophobicContact SD-CZ2 4.06Å
420	R	90.5	Very high	91.5	Very high	108 Å²	108	80 Å²	80	41%	0.408	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	171.5	-173	172.8	-173.5	153.7	4.6	109	Q229 V432 I434	Q229-R420 VanDerWaalsContact OE1-NH2 3.11Å; R420-V432 HydrophobicContact CB-CG2 4.3Å; R420-V432 PolarHBondContact N-O 3.46Å; R420-V432 WeakPolarHBondContact O-CG2 3.32Å; R420-V432 PolarHBondContact O-N 3.36Å; R420-I434 HydrophobicContact CB-CD1 3.61Å; R420-I434 HydrophobicContact CB-CG1 4.41Å; R420-I434 HydrophobicContact CG-CD1 4.32Å
421	T	92.1	Very high	91.5	Very high	76 Å²	76	76 Å²	76	47%	0.466	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.7	166.1	-55.3	0	0	0	0	108.5
422	I	87.6	Confident	91.5	Very high	68 Å²	68	74.7 Å²	74.7	35%	0.349	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.3	170.3	-65.4	179.3	0	0	0	107.2	S429 N430 V432	I422-S429 WeakPolarHBondContact O-CA 3.1Å; I422-N430 PolarHBondContact N-O 3.35Å; I422-N430 PolarHBondContact O-N 3.44Å; I422-V432 HydrophobicContact CD1-CG1 4.14Å; I422-V432 HydrophobicContact CD1-CG2 3.56Å; I422-V432 HydrophobicContact CG1-CG2 4Å
423	T	89.6	Confident	91.5	Very high	102 Å²	102	78.5 Å²	78.5	63%	0.626	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.8	169.4	-49.3	0	0	0	0	108.6	T428	T423-T428 CarbonylContact C-O 3.59Å; T423-T428 WeakPolarHBondContact CA-O 3.05Å
424	H	85.4	Confident	91.4	Very high	82 Å²	82	81.2 Å²	81.2	38%	0.38	44%	0.439	S	S	.	.			trans	-87.3	164.5	176.6	-64.3	-89.1	0	0	0	110.7	D426 G427 T428 N430	H424-D426 VanDerWaalsContact CB-OD1 3.27Å; H424-D426 WeakPolarHBondContact CB-OD1 3.45Å; H424-D426 PolarHBondContact O-N 3.36Å; H424-D426 VanDerWaalsContact O-N 3.13Å; H424-G427 PolarHBondContact O-N 2.7Å; H424-T428 PolarHBondContact CD2-O 3.23Å; H424-T428 PolarHBondContact N-O 3.27Å; H424-N430 PolarHBondContact CD2-ND2 2.86Å; H424-N430 PolarHBondContact NE2-ND2 2.94Å
425	S	89	Confident	91.4	Very high	141 Å²	141	78 Å²	78	99%	0.986	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.2	-177.8	52.6	0	0	0	0	114.7	G427	S425-G427 VanDerWaalsContact C-N 3.35Å
426	D	89.5	Confident	91.4	Very high	114 Å²	114	79.1 Å²	79.1	61%	0.61	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	1.9	172.5	60.9	6.6	0	0	0	113.1	H424 T428	H424-D426 VanDerWaalsContact CB-OD1 3.27Å; H424-D426 WeakPolarHBondContact CB-OD1 3.45Å; H424-D426 PolarHBondContact O-N 3.36Å; H424-D426 VanDerWaalsContact O-N 3.13Å; D426-T428 VanDerWaalsContact C-N 3.3Å; D426-T428 VanDerWaalsContact OD1-CB 3.32Å; D426-T428 WeakPolarHBondContact OD1-CB 3.06Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.42Å; D426-T428 PolarHBondContact OD1-N 2.88Å; D426-T428 PolarHBondContact OD1-OG1 3.45Å; D426-T428 PolarHBondContact OD2-OG1 2.96Å
427	G	86.5	Confident	91.5	Very high	59 Å²	59	75 Å²	75	61%	0.608	41%	0.41	S	S	*	.	S	Bend	trans	82.6	-2.2	-176	0	0	0	0	0	114.6	H424 S425	H424-G427 PolarHBondContact O-N 2.7Å; S425-G427 VanDerWaalsContact C-N 3.35Å
428	T	88.1	Confident	91.8	Very high	65 Å²	65	71.4 Å²	71.4	40%	0.399	40%	0.397	S	S	.	.			trans	-74.7	142.6	175.5	67.3	0	0	0	0	111.1	T423 H424 D426	T423-T428 CarbonylContact C-O 3.59Å; T423-T428 WeakPolarHBondContact CA-O 3.05Å; H424-T428 PolarHBondContact CD2-O 3.23Å; H424-T428 PolarHBondContact N-O 3.27Å; D426-T428 VanDerWaalsContact C-N 3.3Å; D426-T428 VanDerWaalsContact OD1-CB 3.32Å; D426-T428 WeakPolarHBondContact OD1-CB 3.06Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.42Å; D426-T428 PolarHBondContact OD1-N 2.88Å; D426-T428 PolarHBondContact OD1-OG1 3.45Å; D426-T428 PolarHBondContact OD2-OG1 2.96Å
429	S	88	Confident	92	Very high	77 Å²	77	66.4 Å²	66.4	54%	0.538	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.1	-178.7	63.9	0	0	0	0	111.3	I422	I422-S429 WeakPolarHBondContact O-CA 3.1Å
430	N	89.7	Confident	92.2	Very high	71 Å²	71	62.6 Å²	62.6	38%	0.38	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.3	177.8	-72.4	-60.8	0	0	0	110.9	I422 H424	I422-N430 PolarHBondContact N-O 3.35Å; I422-N430 PolarHBondContact O-N 3.44Å; H424-N430 PolarHBondContact CD2-ND2 2.86Å; H424-N430 PolarHBondContact NE2-ND2 2.94Å
431	Q	90.9	Very high	92.5	Very high	108 Å²	108	59 Å²	59	51%	0.505	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.3	173	-66.7	-175.5	-12.5	0	0	110.7	M419	M419-Q431 HydrophobicContact CE-CB 3.67Å; M419-Q431 HydrophobicContact CE-CG 4.5Å
432	V	93	Very high	92.6	Very high	38 Å²	38	59.1 Å²	59.1	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.1	176.4	-59.7	0	0	0	0	111.9	M419 R420 I422 I434	M419-V432 WeakPolarHBondContact CA-O 3.38Å; R420-V432 HydrophobicContact CB-CG2 4.3Å; R420-V432 PolarHBondContact N-O 3.46Å; R420-V432 WeakPolarHBondContact O-CG2 3.32Å; R420-V432 PolarHBondContact O-N 3.36Å; I422-V432 HydrophobicContact CD1-CG1 4.14Å; I422-V432 HydrophobicContact CD1-CG2 3.56Å; I422-V432 HydrophobicContact CG1-CG2 4Å; V432-I434 HydrophobicContact CG2-CD1 4.3Å; V432-I434 HydrophobicContact CG2-CG1 4.13Å
433	R	95.1	Very high	93	Very high	87 Å²	87	56 Å²	56	33%	0.328	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.1	170.5	-71.3	-169.5	-173.6	93.7	-4.5	109.8	M419 W464 L465 G468	M419-R433 HydrophobicContact SD-CB 4.39Å; M419-R433 HydrophobicContact SD-CG 3.46Å; M419-R433 WeakPolarHBondContact SD-CG 3.4Å; R433-W464 HydrophobicContact CB-CZ2 4.18Å; R433-W464 WeakPolarHBondContact CD-O 3.36Å; R433-W464 HydrophobicContact CG-CD2 4.43Å; R433-W464 HydrophobicContact CG-CH2 4.36Å; R433-W464 HydrophobicContact CG-CZ2 3.72Å; R433-L465 HydrophobicContact CB-CD2 3.94Å; R433-L465 VanDerWaalsContact O-CD2 3.3Å; R433-L465 WeakPolarHBondContact O-CD2 3.46Å; R433-G468 PolarHBondContact NE-O 3.33Å; R433-G468 PolarHBondContact NH2-O 3.1Å
434	I	95.2	Very high	93.3	Very high	58 Å²	58	51.2 Å²	51.2	30%	0.297	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.9	174.9	-58	-178.5	0	0	0	108.7	Y417 M418 R420 V432 W464	Y417-I434 VanDerWaalsContact CA-O 3.3Å; Y417-I434 WeakPolarHBondContact CA-O 3.42Å; M418-I434 HydrophobicContact CG-CB 3.87Å; M418-I434 HydrophobicContact CG-CG2 4.39Å; M418-I434 PolarHBondContact N-O 3.11Å; M418-I434 PolarHBondContact O-N 3.43Å; R420-I434 HydrophobicContact CB-CD1 3.61Å; R420-I434 HydrophobicContact CB-CG1 4.41Å; R420-I434 HydrophobicContact CG-CD1 4.32Å; V432-I434 HydrophobicContact CG2-CD1 4.3Å; V432-I434 HydrophobicContact CG2-CG1 4.13Å; I434-W464 PolarHBondContact O-NE1 3.12Å
435	A	96.7	Very high	93.8	Very high	7 Å²	7	49.6 Å²	49.6	6%	0.058	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155	168.9	0	0	0	0	0	111.2	L400 K416 A461 L465	L400-A435 HydrophobicContact CD1-CB 4.19Å; L400-A435 WeakPolarHBondContact CD1-O 3.42Å; K416-A435 CarbonylContact O-C 3.48Å; K416-A435 VanDerWaalsContact O-CA 3.26Å; K416-A435 WeakPolarHBondContact O-CA 3.31Å; A435-A461 HydrophobicContact CB-CB 4.21Å; A435-L465 HydrophobicContact CB-CD1 4.12Å; A435-L465 HydrophobicContact CB-CD2 4.35Å; A435-L465 HydrophobicContact CB-CG 4.25Å
436	Q	96.9	Very high	94.1	Very high	34 Å²	34	44.9 Å²	44.9	16%	0.159	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	128.6	-179.3	176	-169.5	90.9	0	0	107.7	E401 I403 K416 L438	E401-Q436 HydrophobicContact CB-CG 4.19Å; E401-Q436 HydrophobicContact CG-CG 4.18Å; E401-Q436 PolarHBondContact OE2-NE2 3.41Å; I403-Q436 HydrophobicContact CD1-CG 4.05Å; I403-Q436 HydrophobicContact CG1-CG 4.3Å; K416-Q436 HydrophobicContact CB-CB 4.45Å; K416-Q436 PolarHBondContact N-O 3.28Å; K416-Q436 PolarHBondContact O-N 3.3Å; Q436-L438 HydrophobicContact CG-CD1 4.14Å
437	I	98.3	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126	179.5	-65.7	176.6	0	0	0	109.3	L400 E401 I402 I403 L439 L454 E457 I458	L400-I437 HydrophobicContact CD2-CD1 3.55Å; L400-I437 HydrophobicContact CD2-CG1 3.97Å; E401-I437 PolarHBondContact O-N 3.49Å; I402-I437 CarbonylContact C-O 3.5Å; I402-I437 VanDerWaalsContact CA-O 3.27Å; I402-I437 WeakPolarHBondContact CA-O 3.39Å; I402-I437 HydrophobicContact CG1-CB 4.46Å; I403-I437 PolarHBondContact N-O 3.31Å; I437-L439 HydrophobicContact CG2-CD2 4.14Å; I437-L439 HydrophobicContact CG2-CG 4.27Å; I437-L454 HydrophobicContact CD1-CD1 3.98Å; I437-L454 HydrophobicContact CG2-CD1 4.1Å; I437-E457 HydrophobicContact CB-CB 4.44Å; I437-E457 HydrophobicContact CD1-CB 3.86Å; I437-E457 HydrophobicContact CG1-CB 3.99Å; I437-E457 HydrophobicContact CG2-CB 3.64Å; I437-E457 HydrophobicContact CG2-CG 3.98Å; I437-I458 HydrophobicContact CD1-CG1 3.69Å
438	L	98.4	Very high	94.9	Very high	19 Å²	19	38.9 Å²	38.9	10%	0.099	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.5	169.8	-69.4	72.5	0	0	0	109.3	I403 L408 G413 L414 K416 Q436	I403-L438 HydrophobicContact CB-CG 4.44Å; I403-L438 CarbonylContact O-C 3.59Å; I403-L438 VanDerWaalsContact O-CA 3.31Å; I403-L438 WeakPolarHBondContact O-CA 3.21Å; L408-L438 HydrophobicContact CD1-CB 3.72Å; G413-L438 CarbonylContact C-O 3.51Å; G413-L438 WeakPolarHBondContact CA-O 3.35Å; L414-L438 HydrophobicContact CB-CB 4.41Å; L414-L438 PolarHBondContact N-O 2.62Å; L414-L438 PolarHBondContact O-N 2.7Å; K416-L438 HydrophobicContact CB-CD1 4.4Å; K416-L438 HydrophobicContact CD-CD1 3.97Å; K416-L438 HydrophobicContact CG-CD1 3.9Å; Q436-L438 HydrophobicContact CG-CD1 4.14Å
439	L	98.5	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.6	173.5	-65.1	179.4	0	0	0	110.8	A380 I402 I403 W404 S405 I437 V450 T453	A380-L439 HydrophobicContact CB-CD1 4.14Å; I402-L439 HydrophobicContact CG2-CD1 3.82Å; I402-L439 HydrophobicContact CG2-CG 4.14Å; I403-L439 PolarHBondContact O-N 2.88Å; W404-L439 CarbonylContact C-O 3.56Å; W404-L439 HydrophobicContact CD2-CB 4.33Å; W404-L439 HydrophobicContact CE3-CB 4.15Å; W404-L439 HydrophobicContact CH2-CB 4.3Å; W404-L439 HydrophobicContact CH2-CD1 4.41Å; W404-L439 HydrophobicContact CZ2-CB 4.43Å; W404-L439 HydrophobicContact CZ2-CD1 4.06Å; W404-L439 HydrophobicContact CZ3-CB 4.15Å; S405-L439 PolarHBondContact N-O 2.61Å; I437-L439 HydrophobicContact CG2-CD2 4.14Å; I437-L439 HydrophobicContact CG2-CG 4.27Å; L439-V450 HydrophobicContact CD1-CG1 4.23Å; L439-T453 HydrophobicContact CD2-CG2 3.99Å
440	S	97.9	Very high	95.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.8	-175.2	174.4	0	0	0	0	113.5	L408 T411 A412 K442 V443 C444	L408-S440 WeakPolarHBondContact O-CB 3.34Å; L408-S440 PolarHBondContact O-OG 2.59Å; T411-S440 WeakPolarHBondContact O-CB 3.49Å; A412-S440 WeakPolarHBondContact O-CB 3.47Å; A412-S440 PolarHBondContact O-N 2.91Å; S440-K442 PolarHBondContact O-N 2.65Å; S440-K442 VanDerWaalsContact O-N 3.14Å; S440-K442 PolarHBondContact OG-N 3.23Å; S440-V443 WeakPolarHBondContact OG-CG2 3.07Å; S440-V443 PolarHBondContact OG-N 2.75Å; S440-C444 WeakPolarHBondContact O-CB 3.47Å; S440-C444 PolarHBondContact O-N 3.41Å; S440-C444 VanDerWaalsContact O-N 3.12Å
441	E	96.8	Very high	96.1	Very high	34 Å²	34	30.2 Å²	30.2	16%	0.159	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.9	166.2	-80.3	-129.6	-149.8	0	0	114.5	R376 W404 S405 R406	R376-E441 IonicContact CZ-OE1 3.79Å; R376-E441 IonicContact CZ-OE2 3.06Å; R376-E441 IonicContact NH1-OE1 2.93Å; R376-E441 IonicContact NH1-OE2 2.87Å; R376-E441 PolarHBondContact NH1-OE2 2.96Å; R376-E441 IonicContact NH2-OE1 3.3Å; R376-E441 PolarHBondContact NH2-OE1 3.38Å; R376-E441 IonicContact NH2-OE2 2.7Å; R376-E441 PolarHBondContact NH2-OE2 2.94Å; W404-E441 HydrophobicContact CE3-CG 4.47Å; S405-E441 PolarHBondContact O-N 3.37Å; R406-E441 HydrophobicContact CG-CB 4.42Å; R406-E441 HydrophobicContact CG-CG 3.91Å; R406-E441 WeakPolarHBondContact CG-OE1 3.44Å; R406-E441 IonicContact NE-OE1 3.12Å; R406-E441 PolarHBondContact NE-OE1 3.15Å
442	K	94.7	Very high	96.4	Very high	77 Å²	77	26.3 Å²	26.3	34%	0.335	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-18.2	-171	-58.2	-51.3	-178.8	-161.3	0	114.3	L409 S440	L409-K442 HydrophobicContact CD2-CB 4.44Å; L409-K442 HydrophobicContact CD2-CG 3.68Å; S440-K442 PolarHBondContact O-N 2.65Å; S440-K442 VanDerWaalsContact O-N 3.14Å; S440-K442 PolarHBondContact OG-N 3.23Å
443	V	95.4	Very high	96.6	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-42.3	-177.1	-177.4	0	0	0	0	110.9	T411 A412 S440 T445 R449 Y500 I502	T411-V443 WeakPolarHBondContact O-CG2 3.08Å; A412-V443 HydrophobicContact CB-CB 4.41Å; A412-V443 HydrophobicContact CB-CG1 3.73Å; S440-V443 WeakPolarHBondContact OG-CG2 3.07Å; S440-V443 PolarHBondContact OG-N 2.75Å; V443-T445 PolarHBondContact O-N 3.14Å; V443-R449 WeakPolarHBondContact O-CD 3.26Å; V443-R449 PolarHBondContact O-NH1 3.01Å; V443-Y500 HydrophobicContact CG1-CD2 3.71Å; V443-Y500 HydrophobicContact CG1-CG 4.41Å; V443-I502 HydrophobicContact CG1-CD1 4.46Å; V443-I502 HydrophobicContact CG1-CG1 4.21Å; V443-I502 HydrophobicContact CG2-CD1 3.69Å; V443-I502 HydrophobicContact CG2-CG1 3.86Å; V443-I502 HydrophobicContact CG2-CG2 4.06Å
444	C	96.5	Very high	96.7	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	10%	0.104	C	C	.	.			trans	-82.1	67.5	173.9	-61.3	0	0	0	0	110.7	F372 W404 A412 S440 V450	F372-C444 VanDerWaalsContact CE1-O 3.25Å; F372-C444 WeakPolarHBondContact CE1-O 3.5Å; F372-C444 VanDerWaalsContact CZ-O 3.25Å; F372-C444 WeakPolarHBondContact CZ-O 3.42Å; W404-C444 HydrophobicContact CH2-CB 4.17Å; W404-C444 HydrophobicContact CZ3-CB 4.09Å; A412-C444 PolarHBondContact O-SG 3.16Å; S440-C444 WeakPolarHBondContact O-CB 3.47Å; S440-C444 PolarHBondContact O-N 3.41Å; S440-C444 VanDerWaalsContact O-N 3.12Å; C444-V450 HydrophobicContact CB-CG2 4.09Å
445	T	94.9	Very high	96.9	Very high	49 Å²	49	17.7 Å²	17.7	30%	0.301	9%	0.09	S	C	.	.			trans	-90.6	-4	-173.8	50.8	0	0	0	0	114.9	F372 V443 R449	F372-T445 WeakPolarHBondContact CD1-O 3.25Å; F372-T445 WeakPolarHBondContact CE1-O 3.25Å; V443-T445 PolarHBondContact O-N 3.14Å; T445-R449 PolarHBondContact OG1-NH1 3.11Å
446	T	95.3	Very high	96.9	Very high	41 Å²	41	17.8 Å²	17.8	25%	0.252	9%	0.089	S	C	.	.	S	Bend	trans	-139.2	160.1	-179.2	55.5	0	0	0	0	111.2	E448 R449 V450	T446-E448 WeakPolarHBondContact OG1-CG 3.48Å; T446-E448 PolarHBondContact OG1-OE1 3.32Å; T446-E448 VanDerWaalsContact OG1-OE1 3.09Å; T446-R449 PolarHBondContact O-N 2.97Å; T446-R449 VanDerWaalsContact O-N 3.14Å; T446-R449 VanDerWaalsContact OG1-CG 3.26Å; T446-R449 WeakPolarHBondContact OG1-CG 2.9Å; T446-V450 PolarHBondContact O-N 3.12Å
447	A	96.7	Very high	97	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-43.9	-176.4	0	0	0	0	0	113.4	L343 V369 F372 L379 R449 V450 R451	L343-A447 HydrophobicContact CB-CB 4.18Å; L343-A447 HydrophobicContact CD2-CB 4.24Å; V369-A447 HydrophobicContact CG2-CB 3.96Å; F372-A447 HydrophobicContact CD2-CB 4.11Å; L379-A447 HydrophobicContact CD2-CB 3.72Å; A447-R449 VanDerWaalsContact C-N 3.32Å; A447-R449 PolarHBondContact O-N 2.89Å; A447-V450 PolarHBondContact O-N 3.29Å; A447-V450 VanDerWaalsContact O-N 3.14Å; A447-R451 PolarHBondContact O-N 2.88Å
448	E	95.3	Very high	97	Very high	44 Å²	44	16.8 Å²	16.8	21%	0.206	9%	0.085	C	C	.	.	H	α-helix	trans	-54.4	-41.3	169.6	43.6	146.8	-148.2	0	0	113.4	L343 P345 T446 V450 R451 D452	L343-E448 PolarHBondContact O-N 3.06Å; P345-E448 VanDerWaalsContact CD-CD 3.48Å; P345-E448 VanDerWaalsContact CD-OE2 3.23Å; P345-E448 WeakPolarHBondContact CD-OE2 3.2Å; P345-E448 HydrophobicContact CG-CG 3.86Å; P345-E448 WeakPolarHBondContact CG-OE1 3.46Å; T446-E448 WeakPolarHBondContact OG1-CG 3.48Å; T446-E448 PolarHBondContact OG1-OE1 3.32Å; T446-E448 VanDerWaalsContact OG1-OE1 3.09Å; E448-V450 VanDerWaalsContact C-N 3.3Å; E448-V450 PolarHBondContact O-N 3.41Å; E448-R451 WeakPolarHBondContact O-CB 3.11Å; E448-R451 PolarHBondContact O-N 3.41Å; E448-D452 PolarHBondContact O-N 3.41Å
449	R	96.3	Very high	97	Very high	30 Å²	30	15.9 Å²	15.9	11%	0.113	8%	0.08	C	C	.	.	H	α-helix	trans	-68.1	-31	177.8	-68.8	-176.5	-175.2	-163.5	-0.8	111.9	V443 T445 T446 A447 T453 Y500 T501	V443-R449 WeakPolarHBondContact O-CD 3.26Å; V443-R449 PolarHBondContact O-NH1 3.01Å; T445-R449 PolarHBondContact OG1-NH1 3.11Å; T446-R449 PolarHBondContact O-N 2.97Å; T446-R449 VanDerWaalsContact O-N 3.14Å; T446-R449 VanDerWaalsContact OG1-CG 3.26Å; T446-R449 WeakPolarHBondContact OG1-CG 2.9Å; A447-R449 VanDerWaalsContact C-N 3.32Å; A447-R449 PolarHBondContact O-N 2.89Å; R449-T453 WeakPolarHBondContact O-CB 3.17Å; R449-T453 PolarHBondContact O-N 2.92Å; R449-T453 VanDerWaalsContact O-N 3.12Å; R449-T453 PolarHBondContact O-OG1 3.47Å; R449-Y500 HydrophobicContact CB-CE1 4.41Å; R449-Y500 HydrophobicContact CB-CE2 4.41Å; R449-Y500 HydrophobicContact CG-CD1 3.96Å; R449-Y500 HydrophobicContact CG-CE1 3.67Å; R449-Y500 HydrophobicContact CG-CE2 4.32Å; R449-Y500 HydrophobicContact CG-CG 4.42Å; R449-T501 PolarHBondContact NH1-O 2.96Å; R449-T501 PolarHBondContact NH2-O 2.84Å
450	V	97.7	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.4	-47.8	171	177.5	0	0	0	0	110.5	F372 L379 A380 L383 W404 L439 C444 T446 A447 E448 D452 L454	F372-V450 HydrophobicContact CE2-CB 4.46Å; F372-V450 HydrophobicContact CE2-CG2 3.54Å; F372-V450 HydrophobicContact CZ-CG2 3.51Å; L379-V450 HydrophobicContact CD2-CB 4.1Å; L379-V450 HydrophobicContact CD2-CG1 4.26Å; L379-V450 HydrophobicContact CG-CG1 4.39Å; A380-V450 HydrophobicContact CB-CG1 4.15Å; L383-V450 HydrophobicContact CD1-CG1 3.91Å; W404-V450 HydrophobicContact CH2-CG2 3.61Å; W404-V450 HydrophobicContact CZ2-CG2 4.06Å; L439-V450 HydrophobicContact CD1-CG1 4.23Å; C444-V450 HydrophobicContact CB-CG2 4.09Å; T446-V450 PolarHBondContact O-N 3.12Å; A447-V450 PolarHBondContact O-N 3.29Å; A447-V450 VanDerWaalsContact O-N 3.14Å; E448-V450 VanDerWaalsContact C-N 3.3Å; E448-V450 PolarHBondContact O-N 3.41Å; V450-D452 PolarHBondContact O-N 2.6Å; V450-L454 WeakPolarHBondContact O-CB 3.11Å; V450-L454 PolarHBondContact O-N 2.91Å
451	R	97.4	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-48.3	-57.9	174.9	-176.2	-166.4	69.6	-158.3	-8.5	111.7	V340 L343 Y344 L383 Y387 A447 E448 L455 L491	V340-R451 HydrophobicContact CG1-CG 3.82Å; V340-R451 WeakPolarHBondContact O-CD 3.34Å; L343-R451 HydrophobicContact CD1-CB 4.09Å; L343-R451 HydrophobicContact CD1-CG 4.24Å; Y344-R451 VanDerWaalsContact CE1-NH2 3.25Å; L383-R451 HydrophobicContact CD1-CB 4.32Å; L383-R451 HydrophobicContact CD2-CG 4.48Å; Y387-R451 WeakPolarHBondContact OH-CG 3.43Å; Y387-R451 PolarHBondContact OH-O 3.14Å; Y387-R451 VanDerWaalsContact OH-O 3.11Å; A447-R451 PolarHBondContact O-N 2.88Å; E448-R451 WeakPolarHBondContact O-CB 3.11Å; E448-R451 PolarHBondContact O-N 3.41Å; R451-L455 WeakPolarHBondContact O-CB 3.06Å; R451-L455 PolarHBondContact O-N 3.17Å; R451-L491 HydrophobicContact CG-CD2 4.32Å
452	D	96.6	Very high	97	Very high	27 Å²	27	15.5 Å²	15.5	14%	0.144	8%	0.078	C	C	.	.	H	α-helix	trans	-75.7	-35.7	-171.1	-60.1	-21.5	0	0	0	112.4	E448 V450 H456 H498	E448-D452 PolarHBondContact O-N 3.41Å; V450-D452 PolarHBondContact O-N 2.6Å; D452-H456 PolarHBondContact O-N 3.21Å; D452-H498 PolarHBondContact O-CE1 2.87Å
453	T	97.8	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-74.3	-45.9	178	-50.1	0	0	0	0	112	A412 L439 R449 L455 H456 E457 Y500	A412-T453 HydrophobicContact CB-CG2 3.52Å; L439-T453 HydrophobicContact CD2-CG2 3.99Å; R449-T453 WeakPolarHBondContact O-CB 3.17Å; R449-T453 PolarHBondContact O-N 2.92Å; R449-T453 VanDerWaalsContact O-N 3.12Å; R449-T453 PolarHBondContact O-OG1 3.47Å; T453-L455 PolarHBondContact O-N 3.26Å; T453-H456 WeakPolarHBondContact O-CB 3.37Å; T453-H456 PolarHBondContact O-N 2.93Å; T453-H456 VanDerWaalsContact O-N 3.08Å; T453-E457 HydrophobicContact CG2-CG 4.43Å; T453-E457 WeakPolarHBondContact O-CG 3.38Å; T453-E457 PolarHBondContact O-N 2.61Å; T453-Y500 WeakPolarHBondContact OG1-CE2 3.45Å; T453-Y500 PolarHBondContact OG1-OH 3.42Å
454	L	98.3	Very high	97.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.2	-39.2	-179.5	177.3	58.1	0	0	0	110.6	A380 L383 I402 I437 V450 H456 E457 I458	A380-L454 HydrophobicContact CB-CD2 4.19Å; A380-L454 VanDerWaalsContact O-CD2 3.24Å; A380-L454 WeakPolarHBondContact O-CD2 3.35Å; L383-L454 HydrophobicContact CB-CD2 3.78Å; I402-L454 HydrophobicContact CD1-CD1 3.92Å; I402-L454 HydrophobicContact CD1-CD2 4.36Å; I437-L454 HydrophobicContact CD1-CD1 3.98Å; I437-L454 HydrophobicContact CG2-CD1 4.1Å; V450-L454 WeakPolarHBondContact O-CB 3.11Å; V450-L454 PolarHBondContact O-N 2.91Å; L454-H456 PolarHBondContact O-N 3.43Å; L454-E457 PolarHBondContact O-N 3.12Å; L454-I458 HydrophobicContact CD1-CD1 3.97Å; L454-I458 HydrophobicContact CD1-CG1 4.06Å; L454-I458 HydrophobicContact CD2-CD1 4.48Å; L454-I458 HydrophobicContact CG-CD1 3.75Å; L454-I458 HydrophobicContact CG-CG1 4.31Å; L454-I458 WeakPolarHBondContact O-CB 3.27Å; L454-I458 WeakPolarHBondContact O-CG1 3.44Å; L454-I458 PolarHBondContact O-N 2.76Å
455	L	97.9	Very high	97.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-67.3	-34.5	176.6	-168.1	53.1	0	0	0	113.1	Y387 I391 F392 R451 T453 C459 V484 L491 V494	Y387-L455 HydrophobicContact CD1-CD1 3.78Å; Y387-L455 HydrophobicContact CD1-CD2 4.28Å; Y387-L455 HydrophobicContact CD2-CD1 4.07Å; Y387-L455 HydrophobicContact CE1-CB 4.48Å; Y387-L455 HydrophobicContact CE1-CD1 3.98Å; Y387-L455 HydrophobicContact CE1-CD2 3.69Å; Y387-L455 HydrophobicContact CE1-CG 4.28Å; Y387-L455 HydrophobicContact CE2-CB 3.99Å; Y387-L455 HydrophobicContact CE2-CD1 4.27Å; Y387-L455 HydrophobicContact CG-CD1 3.82Å; I391-L455 HydrophobicContact CD1-CD1 4.05Å; I391-L455 HydrophobicContact CD1-CD2 4.3Å; F392-L455 HydrophobicContact CE2-CD1 4.05Å; F392-L455 HydrophobicContact CZ-CD1 4.45Å; R451-L455 WeakPolarHBondContact O-CB 3.06Å; R451-L455 PolarHBondContact O-N 3.17Å; T453-L455 PolarHBondContact O-N 3.26Å; L455-C459 PolarHBondContact O-N 3.07Å; L455-C459 VanDerWaalsContact O-N 3.11Å; L455-C459 PolarHBondContact O-SG 2.93Å; L455-C459 VanDerWaalsContact O-SG 3.32Å; L455-V484 HydrophobicContact CD1-CG2 4.02Å; L455-V484 HydrophobicContact CD2-CG1 3.52Å; L455-V484 HydrophobicContact CD2-CG2 4.29Å; L455-V484 HydrophobicContact CG-CG1 4.23Å; L455-V484 HydrophobicContact CG-CG2 4.16Å; L455-L491 HydrophobicContact CD2-CD1 3.38Å; L455-V494 HydrophobicContact CD2-CG2 4.22Å; L455-V494 HydrophobicContact CG-CG2 4.28Å
456	H	97.8	Very high	97.4	Very high	10 Å²	10	14.7 Å²	14.7	5%	0.046	7%	0.073	C	C	.	.	H	α-helix	trans	-61.1	-47.6	170.7	-176.8	110.5	0	0	0	111.8	D452 T453 L454 C459 H460 H473 W477 V494 S495 V496 H498	D452-H456 PolarHBondContact O-N 3.21Å; T453-H456 WeakPolarHBondContact O-CB 3.37Å; T453-H456 PolarHBondContact O-N 2.93Å; T453-H456 VanDerWaalsContact O-N 3.08Å; L454-H456 PolarHBondContact O-N 3.43Å; H456-C459 WeakPolarHBondContact O-CB 3.15Å; H456-C459 PolarHBondContact O-N 3Å; H456-H460 AromaticContact CD2-CD2 3.69Å; H456-H460 AromaticContact CD2-NE2 3.39Å; H456-H460 PolarHBondContact CD2-NE2 3.41Å; H456-H460 AromaticContact NE2-CD2 3.83Å; H456-H460 AromaticContact NE2-NE2 3.03Å; H456-H460 PolarHBondContact NE2-NE2 3.42Å; H456-H460 PolarHBondContact O-N 3.24Å; H456-H473 AromaticContact CE1-CD2 3.6Å; H456-H473 AromaticContact CE1-NE2 3.19Å; H456-H473 PolarHBondContact CE1-NE2 3.04Å; H456-H473 AromaticContact NE2-CD2 3.69Å; H456-H473 AromaticContact NE2-NE2 2.98Å; H456-H473 PolarHBondContact NE2-NE2 3.49Å; H456-W477 AromaticContact CE1-CZ2 3.43Å; H456-W477 VanDerWaalsContact CE1-CZ2 3.43Å; H456-W477 WeakPolarHBondContact CE1-CZ2 3.33Å; H456-W477 AromaticContact ND1-CZ2 3.45Å; H456-W477 WeakPolarHBondContact ND1-CZ2 3.23Å; H456-W477 AromaticContact NE2-CZ2 3.99Å; H456-V494 HydrophobicContact CB-CG1 4.17Å; H456-S495 PolarHBondContact CE1-O 3.24Å; H456-S495 PolarHBondContact ND1-O 3.41Å; H456-V496 PolarHBondContact CE1-O 3.25Å; H456-V496 VanDerWaalsContact CE1-O 3.27Å; H456-H498 AromaticContact CG-NE2 3.91Å; H456-H498 AromaticContact ND1-NE2 3.99Å
457	E	98.2	Very high	97.5	Very high	13 Å²	13	15.8 Å²	15.8	6%	0.061	8%	0.077	C	C	.	.	H	α-helix	trans	-70.7	-33.6	180	-56.9	-52.6	156.1	0	0	112.7	G413 L414 C415 I437 T453 L454 C459 H460 A461	G413-E457 VanDerWaalsContact CA-OE1 3.29Å; G413-E457 WeakPolarHBondContact CA-OE1 3.48Å; L414-E457 PolarHBondContact N-OE1 2.99Å; C415-E457 HydrophobicContact CB-CB 4.42Å; C415-E457 PolarHBondContact N-OE2 3.48Å; I437-E457 HydrophobicContact CB-CB 4.44Å; I437-E457 HydrophobicContact CD1-CB 3.86Å; I437-E457 HydrophobicContact CG1-CB 3.99Å; I437-E457 HydrophobicContact CG2-CB 3.64Å; I437-E457 HydrophobicContact CG2-CG 3.98Å; T453-E457 HydrophobicContact CG2-CG 4.43Å; T453-E457 WeakPolarHBondContact O-CG 3.38Å; T453-E457 PolarHBondContact O-N 2.61Å; L454-E457 PolarHBondContact O-N 3.12Å; E457-C459 VanDerWaalsContact C-N 3.3Å; E457-C459 PolarHBondContact O-N 3.16Å; E457-H460 WeakPolarHBondContact O-CB 3.47Å; E457-H460 PolarHBondContact O-N 3.48Å; E457-H460 IonicContact OE2-CD2 3.41Å; E457-A461 PolarHBondContact O-N 3.3Å
458	I	98.1	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-35.7	171.9	-67.5	165.1	0	0	0	110.7	Y384 Y387 F392 L396 I437 L454 H460 A461 A462	Y384-I458 HydrophobicContact CD2-CD1 3.71Å; Y384-I458 HydrophobicContact CD2-CG1 4.02Å; Y384-I458 HydrophobicContact CE2-CD1 4.36Å; Y384-I458 HydrophobicContact CE2-CG1 4.32Å; Y387-I458 HydrophobicContact CD2-CD1 3.71Å; Y387-I458 HydrophobicContact CG-CD1 4.34Å; F392-I458 HydrophobicContact CD2-CG2 3.8Å; F392-I458 HydrophobicContact CE1-CG2 4.29Å; F392-I458 HydrophobicContact CE2-CB 4.37Å; F392-I458 HydrophobicContact CE2-CG2 3.33Å; F392-I458 HydrophobicContact CG-CG2 4.48Å; F392-I458 HydrophobicContact CZ-CG2 3.62Å; L396-I458 HydrophobicContact CD1-CG2 3.46Å; L396-I458 VanDerWaalsContact CD1-CG2 3.46Å; I437-I458 HydrophobicContact CD1-CG1 3.69Å; L454-I458 HydrophobicContact CD1-CD1 3.97Å; L454-I458 HydrophobicContact CD1-CG1 4.06Å; L454-I458 HydrophobicContact CD2-CD1 4.48Å; L454-I458 HydrophobicContact CG-CD1 3.75Å; L454-I458 HydrophobicContact CG-CG1 4.31Å; L454-I458 WeakPolarHBondContact O-CB 3.27Å; L454-I458 WeakPolarHBondContact O-CG1 3.44Å; L454-I458 PolarHBondContact O-N 2.76Å; I458-H460 VanDerWaalsContact C-N 3.32Å; I458-H460 PolarHBondContact O-N 3.23Å; I458-A461 CarbonylContact O-C 3.59Å; I458-A461 PolarHBondContact O-N 3.15Å; I458-A462 WeakPolarHBondContact O-CB 3.11Å; I458-A462 PolarHBondContact O-N 2.91Å
459	C	98	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-37.7	173.3	-72.6	0	0	0	0	112.3	L455 H456 E457 A462 V463 W480	L455-C459 PolarHBondContact O-N 3.07Å; L455-C459 VanDerWaalsContact O-N 3.11Å; L455-C459 PolarHBondContact O-SG 2.93Å; L455-C459 VanDerWaalsContact O-SG 3.32Å; H456-C459 WeakPolarHBondContact O-CB 3.15Å; H456-C459 PolarHBondContact O-N 3Å; E457-C459 VanDerWaalsContact C-N 3.3Å; E457-C459 PolarHBondContact O-N 3.16Å; C459-A462 PolarHBondContact O-N 3.48Å; C459-V463 WeakPolarHBondContact O-CG2 3.45Å; C459-V463 PolarHBondContact O-N 3.26Å; C459-W480 HydrophobicContact CB-CB 4.23Å
460	H	97.9	Very high	97.1	Very high	26 Å²	26	21.3 Å²	21.3	12%	0.12	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-45.6	171.2	-66.5	-57.9	0	0	0	111.5	C415 H456 E457 I458 A462 V463 W464 H473 W477	C415-H460 HydrophobicContact CB-CB 3.73Å; H456-H460 AromaticContact CD2-CD2 3.69Å; H456-H460 AromaticContact CD2-NE2 3.39Å; H456-H460 PolarHBondContact CD2-NE2 3.41Å; H456-H460 AromaticContact NE2-CD2 3.83Å; H456-H460 AromaticContact NE2-NE2 3.03Å; H456-H460 PolarHBondContact NE2-NE2 3.42Å; H456-H460 PolarHBondContact O-N 3.24Å; E457-H460 WeakPolarHBondContact O-CB 3.47Å; E457-H460 PolarHBondContact O-N 3.48Å; E457-H460 IonicContact OE2-CD2 3.41Å; I458-H460 VanDerWaalsContact C-N 3.32Å; I458-H460 PolarHBondContact O-N 3.23Å; H460-A462 VanDerWaalsContact C-N 3.25Å; H460-A462 PolarHBondContact O-N 2.87Å; H460-V463 PolarHBondContact O-N 3.42Å; H460-W464 PolarHBondContact O-N 3.06Å; H460-H473 AromaticContact CE1-CD2 3.64Å; H460-H473 AromaticContact CE1-CE1 3.96Å; H460-H473 AromaticContact CE1-NE2 3.49Å; H460-H473 PolarHBondContact CE1-NE2 2.84Å; H460-H473 AromaticContact NE2-CD2 3.93Å; H460-H473 AromaticContact NE2-NE2 3.42Å; H460-H473 PolarHBondContact NE2-NE2 3.12Å; H460-W477 AromaticContact CD2-NE1 3.85Å; H460-W477 AromaticContact CE1-CD1 3.32Å; H460-W477 AromaticContact CE1-NE1 3.29Å; H460-W477 PolarHBondContact CE1-NE1 2.97Å; H460-W477 VanDerWaalsContact CE1-NE1 3.29Å; H460-W477 AromaticContact CG-CD1 3.77Å; H460-W477 AromaticContact CG-NE1 3.82Å; H460-W477 AromaticContact ND1-CD1 3.15Å; H460-W477 AromaticContact ND1-NE1 3.49Å; H460-W477 PolarHBondContact ND1-NE1 2.47Å; H460-W477 AromaticContact NE2-CD1 3.98Å; H460-W477 AromaticContact NE2-NE1 3.5Å
461	A	97.9	Very high	96.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-34.5	176.5	0	0	0	0	0	112.5	L400 A435 E457 I458 W464 L465	L400-A461 HydrophobicContact CD2-CB 4.23Å; A435-A461 HydrophobicContact CB-CB 4.21Å; E457-A461 PolarHBondContact O-N 3.3Å; I458-A461 CarbonylContact O-C 3.59Å; I458-A461 PolarHBondContact O-N 3.15Å; A461-W464 PolarHBondContact O-N 3.11Å; A461-L465 VanDerWaalsContact O-CB 3.22Å; A461-L465 WeakPolarHBondContact O-CB 3.21Å; A461-L465 WeakPolarHBondContact O-CG 3.47Å; A461-L465 PolarHBondContact O-N 3.31Å
462	A	98	Very high	96.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.7	-38.4	176.1	0	0	0	0	0	113	F392 L396 I458 C459 H460 I466 N467 W480	F392-A462 HydrophobicContact CD1-CB 3.73Å; F392-A462 HydrophobicContact CE1-CB 3.52Å; L396-A462 HydrophobicContact CD2-CB 4.1Å; I458-A462 WeakPolarHBondContact O-CB 3.11Å; I458-A462 PolarHBondContact O-N 2.91Å; C459-A462 PolarHBondContact O-N 3.48Å; H460-A462 VanDerWaalsContact C-N 3.25Å; H460-A462 PolarHBondContact O-N 2.87Å; A462-I466 HydrophobicContact CB-CD1 4.09Å; A462-I466 WeakPolarHBondContact O-CA 3.21Å; A462-I466 VanDerWaalsContact O-CB 3.25Å; A462-I466 WeakPolarHBondContact O-CB 3.22Å; A462-I466 PolarHBondContact O-N 3.07Å; A462-N467 PolarHBondContact O-N 2.87Å; A462-W480 HydrophobicContact CB-CD2 4.07Å; A462-W480 HydrophobicContact CB-CG 4.21Å; A462-W480 HydrophobicContact CB-CZ2 4.31Å
463	V	97.9	Very high	96.2	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.149	C	C	.	.	I	π-helix	trans	-63.5	-44.4	173.2	176.2	0	0	0	0	110.9	C459 H460 N467 G468 L469 D471 H476 W477	C459-V463 WeakPolarHBondContact O-CG2 3.45Å; C459-V463 PolarHBondContact O-N 3.26Å; H460-V463 PolarHBondContact O-N 3.42Å; V463-N467 CarbonylContact O-C 3.5Å; V463-N467 WeakPolarHBondContact O-CB 3.35Å; V463-N467 PolarHBondContact O-N 3.44Å; V463-G468 PolarHBondContact O-N 3.4Å; V463-L469 CarbonylContact C-O 3.58Å; V463-L469 HydrophobicContact CG1-CB 4.05Å; V463-L469 PolarHBondContact O-N 2.64Å; V463-L469 VanDerWaalsContact O-N 3.17Å; V463-D471 HydrophobicContact CG1-CB 4.04Å; V463-H476 HydrophobicContact CG1-CB 4.02Å; V463-H476 HydrophobicContact CG2-CB 3.88Å; V463-W477 HydrophobicContact CG2-CB 4.05Å
464	W	97.9	Very high	96.1	Very high	30 Å²	30	27.9 Å²	27.9	11%	0.114	16%	0.159	C	C	.	.	I	π-helix	trans	-66.6	-54	176.8	179.9	-115.7	0	0	0	112.6	Y417 M418 M419 R433 I434 H460 A461 G468 L469 N470	Y417-W464 VanDerWaalsContact CB-CD1 3.45Å; Y417-W464 HydrophobicContact CD2-CD2 4.38Å; Y417-W464 HydrophobicContact CD2-CE3 4.44Å; Y417-W464 HydrophobicContact CG-CD2 4.15Å; Y417-W464 HydrophobicContact CG-CG 4.16Å; M418-W464 WeakPolarHBondContact O-CZ2 3.44Å; M419-W464 HydrophobicContact CG-CH2 4.04Å; M419-W464 HydrophobicContact CG-CZ2 3.94Å; M419-W464 HydrophobicContact SD-CH2 4.33Å; M419-W464 HydrophobicContact SD-CZ2 4.06Å; R433-W464 HydrophobicContact CB-CZ2 4.18Å; R433-W464 WeakPolarHBondContact CD-O 3.36Å; R433-W464 HydrophobicContact CG-CD2 4.43Å; R433-W464 HydrophobicContact CG-CH2 4.36Å; R433-W464 HydrophobicContact CG-CZ2 3.72Å; I434-W464 PolarHBondContact O-NE1 3.12Å; H460-W464 PolarHBondContact O-N 3.06Å; A461-W464 PolarHBondContact O-N 3.11Å; W464-G468 WeakPolarHBondContact O-CA 3.35Å; W464-G468 PolarHBondContact O-N 3.33Å; W464-L469 WeakPolarHBondContact CA-O 3.48Å; W464-N470 HydrophobicContact CE3-CB 4.38Å; W464-N470 HydrophobicContact CZ3-CB 4.19Å
465	L	97.3	Very high	96	Very high	34 Å²	34	38.1 Å²	38.1	18%	0.178	20%	0.197	C	C	.	.	I	π-helix	trans	-79.7	-40.8	-170.2	-61.7	174.9	0	0	0	113.4	L396 P397 L400 R433 A435 A461	L396-L465 HydrophobicContact CD2-CB 4.41Å; L396-L465 HydrophobicContact CD2-CD1 4.32Å; P397-L465 HydrophobicContact CG-CD1 4.15Å; L400-L465 HydrophobicContact CD1-CD1 4.34Å; R433-L465 HydrophobicContact CB-CD2 3.94Å; R433-L465 VanDerWaalsContact O-CD2 3.3Å; R433-L465 WeakPolarHBondContact O-CD2 3.46Å; A435-L465 HydrophobicContact CB-CD1 4.12Å; A435-L465 HydrophobicContact CB-CD2 4.35Å; A435-L465 HydrophobicContact CB-CG 4.25Å; A461-L465 VanDerWaalsContact O-CB 3.22Å; A461-L465 WeakPolarHBondContact O-CB 3.21Å; A461-L465 WeakPolarHBondContact O-CG 3.47Å; A461-L465 PolarHBondContact O-N 3.31Å
466	I	96.9	Very high	96	Very high	48 Å²	48	41.3 Å²	41.3	25%	0.246	21%	0.212	C	C	.	.	I	π-helix	trans	-93.5	-49.8	-175.1	-50.3	173.1	0	0	0	111	F392 Q395 L396 A462 W480	F392-I466 HydrophobicContact CD1-CD1 4.45Å; Q395-I466 HydrophobicContact CB-CD1 3.58Å; Q395-I466 HydrophobicContact CB-CG1 4.05Å; L396-I466 HydrophobicContact CD2-CD1 3.65Å; L396-I466 HydrophobicContact CD2-CG1 3.82Å; L396-I466 HydrophobicContact CG-CD1 4.22Å; A462-I466 HydrophobicContact CB-CD1 4.09Å; A462-I466 WeakPolarHBondContact O-CA 3.21Å; A462-I466 VanDerWaalsContact O-CB 3.25Å; A462-I466 WeakPolarHBondContact O-CB 3.22Å; A462-I466 PolarHBondContact O-N 3.07Å; I466-W480 HydrophobicContact CB-CZ2 4.27Å; I466-W480 HydrophobicContact CD1-CH2 3.84Å; I466-W480 HydrophobicContact CD1-CZ2 3.73Å; I466-W480 HydrophobicContact CG2-CZ2 4.21Å
467	N	96.7	Very high	96	Very high	63 Å²	63	41 Å²	41	34%	0.337	21%	0.211	S	C	.	.	I	π-helix	trans	-80.5	-19.8	179.3	-57.7	121.2	0	0	0	113	A462 V463 L469 W480	A462-N467 PolarHBondContact O-N 2.87Å; V463-N467 CarbonylContact O-C 3.5Å; V463-N467 WeakPolarHBondContact O-CB 3.35Å; V463-N467 PolarHBondContact O-N 3.44Å; N467-L469 VanDerWaalsContact C-N 3.33Å; N467-L469 HydrophobicContact CB-CD1 4.29Å; N467-L469 HydrophobicContact CB-CG 4.32Å; N467-W480 PolarHBondContact OD1-NE1 2.96Å
468	G	95.8	Very high	96	Very high	16 Å²	16	45.4 Å²	45.4	17%	0.165	23%	0.229	C	C	.	.			trans	77.9	15.5	177.8	0	0	0	0	0	114.8	R433 V463 W464	R433-G468 PolarHBondContact NE-O 3.33Å; R433-G468 PolarHBondContact NH2-O 3.1Å; V463-G468 PolarHBondContact O-N 3.4Å; W464-G468 WeakPolarHBondContact O-CA 3.35Å; W464-G468 PolarHBondContact O-N 3.33Å
469	L	94.6	Very high	95.9	Very high	71 Å²	71	48.5 Å²	48.5	37%	0.372	25%	0.251	S	S	.	.			trans	-109.9	144.8	-171.5	-60.2	175.1	0	0	0	111.1	V463 W464 N467 H476	V463-L469 CarbonylContact C-O 3.58Å; V463-L469 HydrophobicContact CG1-CB 4.05Å; V463-L469 PolarHBondContact O-N 2.64Å; V463-L469 VanDerWaalsContact O-N 3.17Å; W464-L469 WeakPolarHBondContact CA-O 3.48Å; N467-L469 VanDerWaalsContact C-N 3.33Å; N467-L469 HydrophobicContact CB-CD1 4.29Å; N467-L469 HydrophobicContact CB-CG 4.32Å; L469-H476 VanDerWaalsContact CD1-CD2 3.44Å; L469-H476 WeakPolarHBondContact CD1-CD2 3.5Å
470	N	90.4	Very high	95.9	Very high	107 Å²	107	49.9 Å²	49.9	57%	0.572	26%	0.257	S	S	*	.			trans	-92.5	100.5	156.9	-173.4	-4	0	0	0	107.8	Y417 W464	Y417-N470 WeakPolarHBondContact CE2-ND2 3.21Å; Y417-N470 PolarHBondContact OH-ND2 3.42Å; Y417-N470 PolarHBondContact OH-OD1 2.85Å; W464-N470 HydrophobicContact CE3-CB 4.38Å; W464-N470 HydrophobicContact CZ3-CB 4.19Å
471	D	85.6	Confident	95.9	Very high	49 Å²	49	49 Å²	49	26%	0.262	25%	0.254	S	S	.	.			trans	-134.4	143.3	173.1	177.3	19.2	0	0	0	106.6	V463 G474 R475	V463-D471 HydrophobicContact CG1-CB 4.04Å; D471-G474 VanDerWaalsContact OD1-CA 3.23Å; D471-G474 WeakPolarHBondContact OD1-CA 3.27Å; D471-G474 PolarHBondContact OD1-N 3.28Å; D471-G474 VanDerWaalsContact OD2-C 3.27Å; D471-G474 WeakPolarHBondContact OD2-CA 3.39Å; D471-R475 PolarHBondContact OD2-N 3.09Å; D471-R475 VanDerWaalsContact OD2-N 3.13Å
472	G	91.9	Very high	95.9	Very high	36 Å²	36	53.7 Å²	53.7	37%	0.371	28%	0.279	S	S	.	.	S	Bend	trans	-80.5	-133.2	171.7	0	0	0	0	0	109.9	G474 W477	G472-G474 PolarHBondContact O-N 3.09Å; G472-W477 WeakPolarHBondContact O-CB 3.35Å
473	H	95.3	Very high	95.9	Very high	61 Å²	61	56.4 Å²	56.4	28%	0.282	29%	0.291	S	S	.	.	S	Bend	trans	-74.1	34.4	174.9	-46.3	90.7	0	0	0	113.9	H456 H460 W477 K478 V496	H456-H473 AromaticContact CE1-CD2 3.6Å; H456-H473 AromaticContact CE1-NE2 3.19Å; H456-H473 PolarHBondContact CE1-NE2 3.04Å; H456-H473 AromaticContact NE2-CD2 3.69Å; H456-H473 AromaticContact NE2-NE2 2.98Å; H456-H473 PolarHBondContact NE2-NE2 3.49Å; H460-H473 AromaticContact CE1-CD2 3.64Å; H460-H473 AromaticContact CE1-CE1 3.96Å; H460-H473 AromaticContact CE1-NE2 3.49Å; H460-H473 PolarHBondContact CE1-NE2 2.84Å; H460-H473 AromaticContact NE2-CD2 3.93Å; H460-H473 AromaticContact NE2-NE2 3.42Å; H460-H473 PolarHBondContact NE2-NE2 3.12Å; H473-W477 HydrophobicContact CB-CD2 4.23Å; H473-W477 HydrophobicContact CB-CE3 3.89Å; H473-W477 HydrophobicContact CB-CZ3 4.34Å; H473-W477 AromaticContact CD2-CD2 3.81Å; H473-W477 AromaticContact CD2-CE2 3.67Å; H473-W477 AromaticContact CD2-CE3 3.97Å; H473-W477 AromaticContact CD2-CH2 3.96Å; H473-W477 AromaticContact CD2-CZ2 3.77Å; H473-K478 VanDerWaalsContact O-CE 3.26Å; H473-K478 WeakPolarHBondContact O-CE 3.43Å; H473-K478 PolarHBondContact O-NZ 2.96Å; H473-V496 HydrophobicContact CB-CG1 4.05Å; H473-V496 HydrophobicContact CB-CG2 4.02Å; H473-V496 PolarHBondContact NE2-O 2.91Å
474	G	95.4	Very high	95.8	Very high	19 Å²	19	56.4 Å²	56.4	20%	0.196	29%	0.291	C	S	.	.	S	Bend	trans	-79.3	-150.4	179.7	0	0	0	0	0	113.5	D471 G472 H476 K478	D471-G474 VanDerWaalsContact OD1-CA 3.23Å; D471-G474 WeakPolarHBondContact OD1-CA 3.27Å; D471-G474 PolarHBondContact OD1-N 3.28Å; D471-G474 VanDerWaalsContact OD2-C 3.27Å; D471-G474 WeakPolarHBondContact OD2-CA 3.39Å; G472-G474 PolarHBondContact O-N 3.09Å; G474-H476 PolarHBondContact O-N 3.3Å; G474-K478 VanDerWaalsContact O-CB 3.3Å; G474-K478 WeakPolarHBondContact O-CB 3.15Å; G474-K478 VanDerWaalsContact O-CG 3.23Å; G474-K478 WeakPolarHBondContact O-CG 3.49Å; G474-K478 PolarHBondContact O-N 3.18Å
475	R	97.1	Very high	95.7	Very high	215 Å²	215	58.6 Å²	58.6	81%	0.811	30%	0.303	S	S	*	.	H	α-helix	trans	-68.2	-40	-167.2	-175.5	178.8	-114.6	-127.3	1.7	111.8	D471 S479	D471-R475 PolarHBondContact OD2-N 3.09Å; D471-R475 VanDerWaalsContact OD2-N 3.13Å; R475-S479 PolarHBondContact O-N 2.89Å
476	H	97.3	Very high	95.6	Very high	68 Å²	68	65 Å²	65	32%	0.315	33%	0.325	S	S	.	.	H	α-helix	trans	-76.4	-41.8	-176.2	-71.3	-95.3	0	0	0	111.3	V463 L469 G474 K478 S479 W480	V463-H476 HydrophobicContact CG1-CB 4.02Å; V463-H476 HydrophobicContact CG2-CB 3.88Å; L469-H476 VanDerWaalsContact CD1-CD2 3.44Å; L469-H476 WeakPolarHBondContact CD1-CD2 3.5Å; G474-H476 PolarHBondContact O-N 3.3Å; H476-K478 PolarHBondContact O-N 3.14Å; H476-S479 VanDerWaalsContact O-CB 3.3Å; H476-S479 WeakPolarHBondContact O-CB 3.39Å; H476-S479 PolarHBondContact O-N 3.29Å; H476-S479 VanDerWaalsContact O-N 3.11Å; H476-W480 VanDerWaalsContact O-CD1 3.3Å; H476-W480 PolarHBondContact O-N 2.92Å
477	W	98	Very high	95.6	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-44.7	173.9	-174.9	94.2	0	0	0	112.1	H456 H460 V463 G472 H473 S479 W480 A481 V494 V496	H456-W477 AromaticContact CE1-CZ2 3.43Å; H456-W477 VanDerWaalsContact CE1-CZ2 3.43Å; H456-W477 WeakPolarHBondContact CE1-CZ2 3.33Å; H456-W477 AromaticContact ND1-CZ2 3.45Å; H456-W477 WeakPolarHBondContact ND1-CZ2 3.23Å; H456-W477 AromaticContact NE2-CZ2 3.99Å; H460-W477 AromaticContact CD2-NE1 3.85Å; H460-W477 AromaticContact CE1-CD1 3.32Å; H460-W477 AromaticContact CE1-NE1 3.29Å; H460-W477 PolarHBondContact CE1-NE1 2.97Å; H460-W477 VanDerWaalsContact CE1-NE1 3.29Å; H460-W477 AromaticContact CG-CD1 3.77Å; H460-W477 AromaticContact CG-NE1 3.82Å; H460-W477 AromaticContact ND1-CD1 3.15Å; H460-W477 AromaticContact ND1-NE1 3.49Å; H460-W477 PolarHBondContact ND1-NE1 2.47Å; H460-W477 AromaticContact NE2-CD1 3.98Å; H460-W477 AromaticContact NE2-NE1 3.5Å; V463-W477 HydrophobicContact CG2-CB 4.05Å; G472-W477 WeakPolarHBondContact O-CB 3.35Å; H473-W477 HydrophobicContact CB-CD2 4.23Å; H473-W477 HydrophobicContact CB-CE3 3.89Å; H473-W477 HydrophobicContact CB-CZ3 4.34Å; H473-W477 AromaticContact CD2-CD2 3.81Å; H473-W477 AromaticContact CD2-CE2 3.67Å; H473-W477 AromaticContact CD2-CE3 3.97Å; H473-W477 AromaticContact CD2-CH2 3.96Å; H473-W477 AromaticContact CD2-CZ2 3.77Å; W477-S479 VanDerWaalsContact C-N 3.27Å; W477-S479 PolarHBondContact O-N 3.25Å; W477-W480 PolarHBondContact O-N 3.01Å; W477-W480 VanDerWaalsContact O-N 3.16Å; W477-A481 HydrophobicContact CE3-CB 4.31Å; W477-A481 HydrophobicContact CH2-CB 4.07Å; W477-A481 HydrophobicContact CZ3-CB 3.95Å; W477-A481 PolarHBondContact O-N 3.5Å; W477-V494 HydrophobicContact CH2-CG1 3.96Å; W477-V494 WeakPolarHBondContact CH2-O 3.34Å; W477-V494 HydrophobicContact CZ2-CG1 3.77Å; W477-V496 HydrophobicContact CZ3-CG2 4.11Å
478	K	97.4	Very high	95.4	Very high	105 Å²	105	62.8 Å²	62.8	46%	0.457	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-33.3	174.2	-74	172.6	173.6	119.8	0	112.5	H473 G474 H476 N482	H473-K478 VanDerWaalsContact O-CE 3.26Å; H473-K478 WeakPolarHBondContact O-CE 3.43Å; H473-K478 PolarHBondContact O-NZ 2.96Å; G474-K478 VanDerWaalsContact O-CB 3.3Å; G474-K478 WeakPolarHBondContact O-CB 3.15Å; G474-K478 VanDerWaalsContact O-CG 3.23Å; G474-K478 WeakPolarHBondContact O-CG 3.49Å; G474-K478 PolarHBondContact O-N 3.18Å; H476-K478 PolarHBondContact O-N 3.14Å; K478-N482 VanDerWaalsContact O-CB 3.27Å; K478-N482 WeakPolarHBondContact O-CB 3.27Å; K478-N482 PolarHBondContact O-N 3.01Å; K478-N482 PolarHBondContact O-ND2 3.34Å
479	S	97.5	Very high	95.3	Very high	66 Å²	66	65.7 Å²	65.7	46%	0.462	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-43	173.8	-164.9	0	0	0	0	112	R475 H476 W477 N482 H483	R475-S479 PolarHBondContact O-N 2.89Å; H476-S479 VanDerWaalsContact O-CB 3.3Å; H476-S479 WeakPolarHBondContact O-CB 3.39Å; H476-S479 PolarHBondContact O-N 3.29Å; H476-S479 VanDerWaalsContact O-N 3.11Å; W477-S479 VanDerWaalsContact C-N 3.27Å; W477-S479 PolarHBondContact O-N 3.25Å; S479-N482 PolarHBondContact O-N 2.83Å; S479-H483 WeakPolarHBondContact O-CB 3.48Å; S479-H483 PolarHBondContact O-N 3.15Å
480	W	98	Very high	95.1	Very high	29 Å²	29	69 Å²	69	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-44.8	174.8	-73.4	114.5	0	0	0	112.7	F392 C459 A462 I466 N467 H476 W477 N482 H483 V484	F392-W480 HydrophobicContact CD1-CD2 4.17Å; F392-W480 AromaticContact CD1-CE3 3.58Å; F392-W480 HydrophobicContact CD1-CE3 3.58Å; F392-W480 HydrophobicContact CD1-CH2 4.05Å; F392-W480 AromaticContact CD1-CZ3 3.51Å; F392-W480 HydrophobicContact CD1-CZ3 3.51Å; F392-W480 HydrophobicContact CE1-CB 4.5Å; F392-W480 AromaticContact CE1-CD2 3.8Å; F392-W480 HydrophobicContact CE1-CD2 3.8Å; F392-W480 AromaticContact CE1-CE3 3.41Å; F392-W480 HydrophobicContact CE1-CE3 3.41Å; F392-W480 VanDerWaalsContact CE1-CE3 3.41Å; F392-W480 HydrophobicContact CE1-CG 4.29Å; F392-W480 AromaticContact CE1-CZ3 3.89Å; F392-W480 HydrophobicContact CE1-CZ3 3.89Å; C459-W480 HydrophobicContact CB-CB 4.23Å; A462-W480 HydrophobicContact CB-CD2 4.07Å; A462-W480 HydrophobicContact CB-CG 4.21Å; A462-W480 HydrophobicContact CB-CZ2 4.31Å; I466-W480 HydrophobicContact CB-CZ2 4.27Å; I466-W480 HydrophobicContact CD1-CH2 3.84Å; I466-W480 HydrophobicContact CD1-CZ2 3.73Å; I466-W480 HydrophobicContact CG2-CZ2 4.21Å; N467-W480 PolarHBondContact OD1-NE1 2.96Å; H476-W480 VanDerWaalsContact O-CD1 3.3Å; H476-W480 PolarHBondContact O-N 2.92Å; W477-W480 PolarHBondContact O-N 3.01Å; W477-W480 VanDerWaalsContact O-N 3.16Å; W480-N482 VanDerWaalsContact C-N 3.28Å; W480-N482 PolarHBondContact O-N 2.88Å; W480-H483 HydrophobicContact CE3-CB 4.43Å; W480-H483 AromaticContact CZ3-CD2 3.92Å; W480-H483 CarbonylContact O-C 3.43Å; W480-H483 WeakPolarHBondContact O-CA 3.26Å; W480-H483 WeakPolarHBondContact O-CB 3.42Å; W480-H483 PolarHBondContact O-N 3.22Å; W480-V484 WeakPolarHBondContact O-CG2 2.98Å; W480-V484 PolarHBondContact O-N 2.88Å
481	A	97.2	Very high	95.1	Very high	7 Å²	7	64.4 Å²	64.4	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-40.4	173.6	0	0	0	0	0	112.2	W477 H483 V484 H485 V494	W477-A481 HydrophobicContact CE3-CB 4.31Å; W477-A481 HydrophobicContact CH2-CB 4.07Å; W477-A481 HydrophobicContact CZ3-CB 3.95Å; W477-A481 PolarHBondContact O-N 3.5Å; A481-H483 VanDerWaalsContact C-N 3.34Å; A481-V484 WeakPolarHBondContact O-CB 3.26Å; A481-H485 PolarHBondContact O-N 3.43Å; A481-V494 HydrophobicContact CB-CB 4.08Å; A481-V494 HydrophobicContact CB-CG1 4.37Å
482	N	97.3	Very high	95.3	Very high	99 Å²	99	64.4 Å²	64.4	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-72.4	-24.1	173.2	-70.5	-12.7	0	0	0	112.9	K478 S479 W480 R486	K478-N482 VanDerWaalsContact O-CB 3.27Å; K478-N482 WeakPolarHBondContact O-CB 3.27Å; K478-N482 PolarHBondContact O-N 3.01Å; K478-N482 PolarHBondContact O-ND2 3.34Å; S479-N482 PolarHBondContact O-N 2.83Å; W480-N482 VanDerWaalsContact C-N 3.28Å; W480-N482 PolarHBondContact O-N 2.88Å; N482-R486 VanDerWaalsContact O-CG 3.31Å; N482-R486 WeakPolarHBondContact O-CG 3.31Å; N482-R486 PolarHBondContact O-N 3.5Å; N482-R486 PolarHBondContact O-NE 3.09Å
483	H	97.7	Very high	95.4	Very high	56 Å²	56	67.5 Å²	67.5	26%	0.259	33%	0.331	S	S	.	.	H	α-helix	trans	-73.7	-47	172.3	-172.9	51.9	0	0	0	111.2	I391 S479 W480 A481 H485 R486 V487	I391-H483 PolarHBondContact O-CD2 3.03Å; I391-H483 PolarHBondContact O-NE2 2.71Å; S479-H483 WeakPolarHBondContact O-CB 3.48Å; S479-H483 PolarHBondContact O-N 3.15Å; W480-H483 HydrophobicContact CE3-CB 4.43Å; W480-H483 AromaticContact CZ3-CD2 3.92Å; W480-H483 CarbonylContact O-C 3.43Å; W480-H483 WeakPolarHBondContact O-CA 3.26Å; W480-H483 WeakPolarHBondContact O-CB 3.42Å; W480-H483 PolarHBondContact O-N 3.22Å; A481-H483 VanDerWaalsContact C-N 3.34Å; H483-H485 VanDerWaalsContact C-N 3.31Å; H483-H485 PolarHBondContact O-N 3.43Å; H483-R486 PolarHBondContact O-N 2.75Å; H483-R486 VanDerWaalsContact O-N 3.08Å; H483-V487 WeakPolarHBondContact O-CG2 3.46Å; H483-V487 PolarHBondContact O-N 3.1Å
484	V	97.3	Very high	95.3	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-46.6	-53.8	171.6	168	0	0	0	0	111	I391 L455 W480 A481 R486 V487 W488 L491 V494	I391-V484 HydrophobicContact CD1-CG1 4.3Å; I391-V484 HydrophobicContact CD1-CG2 4.29Å; I391-V484 HydrophobicContact CG2-CG2 3.8Å; L455-V484 HydrophobicContact CD1-CG2 4.02Å; L455-V484 HydrophobicContact CD2-CG1 3.52Å; L455-V484 HydrophobicContact CD2-CG2 4.29Å; L455-V484 HydrophobicContact CG-CG1 4.23Å; L455-V484 HydrophobicContact CG-CG2 4.16Å; W480-V484 WeakPolarHBondContact O-CG2 2.98Å; W480-V484 PolarHBondContact O-N 2.88Å; A481-V484 WeakPolarHBondContact O-CB 3.26Å; V484-R486 VanDerWaalsContact C-N 3.34Å; V484-R486 PolarHBondContact O-N 3.26Å; V484-V487 PolarHBondContact O-N 2.81Å; V484-W488 PolarHBondContact O-N 3.4Å; V484-L491 HydrophobicContact CG1-CD1 4.04Å; V484-V494 HydrophobicContact CB-CG2 4.26Å; V484-V494 HydrophobicContact CG1-CG2 3.71Å; V484-V494 HydrophobicContact CG2-CG2 4.49Å
485	H	94.7	Very high	95.2	Very high	77 Å²	77	66.6 Å²	66.6	36%	0.356	33%	0.328	S	S	.	.	H	α-helix	trans	-70.6	-27.2	-176.5	-171.9	56.5	0	0	0	113.6	A481 H483 P489	A481-H485 PolarHBondContact O-N 3.43Å; H483-H485 VanDerWaalsContact C-N 3.31Å; H483-H485 PolarHBondContact O-N 3.43Å; H485-P489 PolarHBondContact CE1-O 3.37Å; H485-P489 VanDerWaalsContact O-CA 3.31Å; H485-P489 WeakPolarHBondContact O-CA 3.25Å
486	R	96	Very high	95	Very high	169 Å²	169	59.5 Å²	59.5	64%	0.638	31%	0.309	S	S	*	.	H	α-helix	trans	-73	-33.4	172.3	-79.2	176.6	-68.4	167.3	0.8	112.9	N482 H483 V484	N482-R486 VanDerWaalsContact O-CG 3.31Å; N482-R486 WeakPolarHBondContact O-CG 3.31Å; N482-R486 PolarHBondContact O-N 3.5Å; N482-R486 PolarHBondContact O-NE 3.09Å; H483-R486 PolarHBondContact O-N 2.75Å; H483-R486 VanDerWaalsContact O-N 3.08Å; V484-R486 VanDerWaalsContact C-N 3.34Å; V484-R486 PolarHBondContact O-N 3.26Å
487	V	95.5	Very high	94.6	Very high	52 Å²	52	61 Å²	61	32%	0.315	33%	0.325	S	S	.	.	H	α-helix	trans	-77.1	-50	176.6	174	0	0	0	0	110.3	I391 H483 V484 P489	I391-V487 HydrophobicContact CG1-CG1 4.23Å; H483-V487 WeakPolarHBondContact O-CG2 3.46Å; H483-V487 PolarHBondContact O-N 3.1Å; V484-V487 PolarHBondContact O-N 2.81Å; V487-P489 WeakPolarHBondContact O-CD 3.16Å
488	W	94.2	Very high	94	Very high	11 Å²	11	63.2 Å²	63.2	4%	0.042	34%	0.336	C	S	.	.			trans	-123.9	81.6	-175.6	-78.5	-10.3	0	0	0	112.1	E337 V340 Y341 I386 Y387 K390 I391 V484 K490 L491	E337-W488 HydrophobicContact CB-CZ2 3.72Å; E337-W488 HydrophobicContact CG-CD2 4.43Å; E337-W488 HydrophobicContact CG-CG 4.47Å; E337-W488 HydrophobicContact CG-CZ2 4.23Å; E337-W488 PolarHBondContact OE2-NE1 2.88Å; V340-W488 HydrophobicContact CB-CH2 4.2Å; V340-W488 HydrophobicContact CB-CZ3 3.98Å; V340-W488 HydrophobicContact CG1-CE3 4.43Å; V340-W488 HydrophobicContact CG1-CZ3 3.84Å; V340-W488 HydrophobicContact CG2-CH2 3.89Å; V340-W488 HydrophobicContact CG2-CZ3 3.89Å; Y341-W488 HydrophobicContact CE1-CB 4.47Å; I386-W488 HydrophobicContact CG2-CH2 3.43Å; I386-W488 VanDerWaalsContact CG2-CH2 3.43Å; I386-W488 HydrophobicContact CG2-CZ2 4.31Å; I386-W488 HydrophobicContact CG2-CZ3 4.18Å; Y387-W488 HydrophobicContact CD1-CE3 4.44Å; Y387-W488 AromaticContact CD1-CZ3 3.9Å; Y387-W488 HydrophobicContact CD1-CZ3 3.9Å; Y387-W488 HydrophobicContact CE1-CE3 4.16Å; Y387-W488 AromaticContact CE1-CZ3 3.69Å; Y387-W488 HydrophobicContact CE1-CZ3 3.69Å; K390-W488 HydrophobicContact CB-CZ2 4.07Å; K390-W488 HydrophobicContact CG-CZ2 4.09Å; I391-W488 HydrophobicContact CD1-CD2 4.43Å; I391-W488 HydrophobicContact CD1-CE3 3.94Å; I391-W488 HydrophobicContact CD1-CZ3 4.48Å; V484-W488 PolarHBondContact O-N 3.4Å; W488-K490 VanDerWaalsContact C-N 3.27Å; W488-K490 PolarHBondContact O-N 3.27Å; W488-L491 HydrophobicContact CB-CD1 4.28Å; W488-L491 HydrophobicContact CB-CG 4.26Å; W488-L491 HydrophobicContact CE3-CD1 4.06Å; W488-L491 PolarHBondContact O-N 3.29Å
489	P	92.3	Very high	93.5	Very high	78 Å²	78	63.4 Å²	63.4	51%	0.506	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13	-172.3	27.7	-35.8	0	0	0	114.8	H485 V487	H485-P489 PolarHBondContact CE1-O 3.37Å; H485-P489 VanDerWaalsContact O-CA 3.31Å; H485-P489 WeakPolarHBondContact O-CA 3.25Å; V487-P489 WeakPolarHBondContact O-CD 3.16Å
490	K	90.3	Very high	93.2	Very high	141 Å²	141	62.5 Å²	62.5	61%	0.613	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1.4	176.5	-29.2	178.7	-164	161.4	0	113.5	Y341 W488	Y341-K490 HydrophobicContact CD1-CB 4.09Å; Y341-K490 HydrophobicContact CD2-CB 4.21Å; Y341-K490 HydrophobicContact CD2-CD 4.01Å; Y341-K490 HydrophobicContact CD2-CG 4.49Å; Y341-K490 VanDerWaalsContact CE1-C 3.42Å; Y341-K490 HydrophobicContact CE1-CB 3.64Å; Y341-K490 HydrophobicContact CE1-CG 4.42Å; Y341-K490 HydrophobicContact CE2-CB 3.74Å; Y341-K490 HydrophobicContact CE2-CD 3.52Å; Y341-K490 HydrophobicContact CE2-CG 3.75Å; Y341-K490 HydrophobicContact CG-CB 4.38Å; Y341-K490 VanDerWaalsContact CZ-CB 3.47Å; Y341-K490 PolarHBondContact OH-N 3.19Å; W488-K490 VanDerWaalsContact C-N 3.27Å; W488-K490 PolarHBondContact O-N 3.27Å
491	L	91.1	Very high	92.9	Very high	9 Å²	9	66 Å²	66	5%	0.047	37%	0.369	C	S	.	.	S	Bend	trans	-73.2	150.3	164.6	-80.6	-174.2	0	0	0	110.1	V340 Y341 R451 L455 V484 W488	V340-L491 HydrophobicContact CG1-CD2 3.98Å; Y341-L491 HydrophobicContact CD1-CD2 4.11Å; Y341-L491 HydrophobicContact CD1-CG 4.43Å; Y341-L491 HydrophobicContact CE1-CB 4.5Å; Y341-L491 HydrophobicContact CE1-CD2 4.14Å; Y341-L491 HydrophobicContact CE1-CG 3.95Å; R451-L491 HydrophobicContact CG-CD2 4.32Å; L455-L491 HydrophobicContact CD2-CD1 3.38Å; V484-L491 HydrophobicContact CG1-CD1 4.04Å; W488-L491 HydrophobicContact CB-CD1 4.28Å; W488-L491 HydrophobicContact CB-CG 4.26Å; W488-L491 HydrophobicContact CE3-CD1 4.06Å; W488-L491 PolarHBondContact O-N 3.29Å
492	P	90.3	Very high	92.6	Very high	50 Å²	50	68 Å²	68	33%	0.325	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-54.6	142.5	161.5	-21.4	34.3	0	0	0	110.5	V494	P492-V494 PolarHBondContact O-N 2.93Å
493	V	92.8	Very high	92.3	Very high	100 Å²	100	68.5 Å²	68.5	61%	0.606	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-59.2	127.3	176.3	178.5	0	0	0	0	109.2	S495	V493-S495 PolarHBondContact O-N 3.06Å
494	V	94.8	Very high	92	Very high	14 Å²	14	66.7 Å²	66.7	9%	0.085	37%	0.373	C	S	.	.			trans	-66.6	96.7	178.3	-176.9	0	0	0	0	108.9	L455 H456 W477 A481 V484 P492	L455-V494 HydrophobicContact CD2-CG2 4.22Å; L455-V494 HydrophobicContact CG-CG2 4.28Å; H456-V494 HydrophobicContact CB-CG1 4.17Å; W477-V494 HydrophobicContact CH2-CG1 3.96Å; W477-V494 WeakPolarHBondContact CH2-O 3.34Å; W477-V494 HydrophobicContact CZ2-CG1 3.77Å; A481-V494 HydrophobicContact CB-CB 4.08Å; A481-V494 HydrophobicContact CB-CG1 4.37Å; V484-V494 HydrophobicContact CB-CG2 4.26Å; V484-V494 HydrophobicContact CG1-CG2 3.71Å; V484-V494 HydrophobicContact CG2-CG2 4.49Å; P492-V494 PolarHBondContact O-N 2.93Å
495	S	92.8	Very high	91.7	Very high	48 Å²	48	71 Å²	71	34%	0.336	39%	0.389	S	S	.	.			trans	-84.1	157	-175.6	57	0	0	0	0	112.3	H456 V493 C497	H456-S495 PolarHBondContact CE1-O 3.24Å; H456-S495 PolarHBondContact ND1-O 3.41Å; V493-S495 PolarHBondContact O-N 3.06Å; S495-C497 WeakPolarHBondContact CB-O 3.39Å; S495-C497 PolarHBondContact O-N 2.87Å; S495-C497 PolarHBondContact OG-O 3.33Å
496	V	92.7	Very high	91.7	Very high	66 Å²	66	67.5 Å²	67.5	40%	0.4	37%	0.373	S	S	.	.	S	Bend	trans	-60.5	-34	176.1	173.2	0	0	0	0	112.2	H456 H473 W477	H456-V496 PolarHBondContact CE1-O 3.25Å; H456-V496 VanDerWaalsContact CE1-O 3.27Å; H473-V496 HydrophobicContact CB-CG1 4.05Å; H473-V496 HydrophobicContact CB-CG2 4.02Å; H473-V496 PolarHBondContact NE2-O 2.91Å; W477-V496 HydrophobicContact CZ3-CG2 4.11Å
497	C	89.7	Confident	91.6	Very high	99 Å²	99	59.5 Å²	59.5	67%	0.669	34%	0.343	S	S	*	.	S	Bend	trans	-133.5	147.9	175.4	-61.3	0	0	0	0	110	S495	S495-C497 WeakPolarHBondContact CB-O 3.39Å; S495-C497 PolarHBondContact O-N 2.87Å; S495-C497 PolarHBondContact OG-O 3.33Å
498	H	84.2	Confident	91.7	Very high	51 Å²	51	57.2 Å²	57.2	24%	0.236	33%	0.329	C	S	.	.			trans	-95.5	133.5	168.5	-57.8	-71	0	0	0	110.8	D452 H456 Y500	D452-H498 PolarHBondContact O-CE1 2.87Å; H456-H498 AromaticContact CG-NE2 3.91Å; H456-H498 AromaticContact ND1-NE2 3.99Å; H498-Y500 VanDerWaalsContact C-N 3.3Å; H498-Y500 HydrophobicContact CB-CD1 4.22Å; H498-Y500 HydrophobicContact CB-CD2 3.57Å; H498-Y500 HydrophobicContact CB-CE1 4Å; H498-Y500 HydrophobicContact CB-CE2 3.33Å; H498-Y500 HydrophobicContact CB-CG 4.02Å; H498-Y500 AromaticContact CD2-CE2 3.87Å; H498-Y500 AromaticContact CG-CE2 3.54Å; H498-Y500 AromaticContact CG-CZ 3.59Å; H498-Y500 AromaticContact ND1-CZ 3.77Å; H498-Y500 PolarHBondContact ND1-OH 2.67Å; H498-Y500 PolarHBondContact O-N 2.85Å
499	A	87.2	Confident	91.8	Very high	108 Å²	108	61.4 Å²	61.4	89%	0.893	35%	0.345	S	S	*	.			trans	-91.4	45.4	-179.7	0	0	0	0	0	112.8
500	Y	91.8	Very high	92	Very high	48 Å²	48	57.8 Å²	57.8	19%	0.188	32%	0.321	C	S	.	.			trans	-76.2	131.4	-174.9	-59.3	-41.3	0	0	0	113.1	A412 V443 R449 T453 H498 I502	A412-Y500 HydrophobicContact CB-CD2 3.85Å; A412-Y500 HydrophobicContact CB-CE2 3.63Å; V443-Y500 HydrophobicContact CG1-CD2 3.71Å; V443-Y500 HydrophobicContact CG1-CG 4.41Å; R449-Y500 HydrophobicContact CB-CE1 4.41Å; R449-Y500 HydrophobicContact CB-CE2 4.41Å; R449-Y500 HydrophobicContact CG-CD1 3.96Å; R449-Y500 HydrophobicContact CG-CE1 3.67Å; R449-Y500 HydrophobicContact CG-CE2 4.32Å; R449-Y500 HydrophobicContact CG-CG 4.42Å; T453-Y500 WeakPolarHBondContact OG1-CE2 3.45Å; T453-Y500 PolarHBondContact OG1-OH 3.42Å; H498-Y500 VanDerWaalsContact C-N 3.3Å; H498-Y500 HydrophobicContact CB-CD1 4.22Å; H498-Y500 HydrophobicContact CB-CD2 3.57Å; H498-Y500 HydrophobicContact CB-CE1 4Å; H498-Y500 HydrophobicContact CB-CE2 3.33Å; H498-Y500 HydrophobicContact CB-CG 4.02Å; H498-Y500 AromaticContact CD2-CE2 3.87Å; H498-Y500 AromaticContact CG-CE2 3.54Å; H498-Y500 AromaticContact CG-CZ 3.59Å; H498-Y500 AromaticContact ND1-CZ 3.77Å; H498-Y500 PolarHBondContact ND1-OH 2.67Å; H498-Y500 PolarHBondContact O-N 2.85Å; Y500-I502 PolarHBondContact O-N 3.46Å
501	T	90.4	Very high	92.4	Very high	103 Å²	103	55.2 Å²	55.2	63%	0.632	32%	0.317	S	S	*	.			trans	-65.5	127.5	162.3	-49.7	0	0	0	0	109.7	R449	R449-T501 PolarHBondContact NH1-O 2.96Å; R449-T501 PolarHBondContact NH2-O 2.84Å
502	I	91.7	Very high	92.6	Very high	47 Å²	47	57.1 Å²	57.1	24%	0.241	34%	0.339	C	S	.	.			trans	-104.3	111.9	-179.5	-55.5	176.7	0	0	0	109.3	K410 V443 Y500 T504 H520	K410-I502 WeakPolarHBondContact O-CD1 3.45Å; V443-I502 HydrophobicContact CG1-CD1 4.46Å; V443-I502 HydrophobicContact CG1-CG1 4.21Å; V443-I502 HydrophobicContact CG2-CD1 3.69Å; V443-I502 HydrophobicContact CG2-CG1 3.86Å; V443-I502 HydrophobicContact CG2-CG2 4.06Å; Y500-I502 PolarHBondContact O-N 3.46Å; I502-T504 PolarHBondContact O-N 3.34Å; I502-T504 VanDerWaalsContact O-N 3.15Å; I502-H520 WeakPolarHBondContact CG2-CE1 3.39Å; I502-H520 WeakPolarHBondContact CG2-NE2 3.3Å
503	D	90.6	Very high	92.9	Very high	110 Å²	110	57.2 Å²	57.2	59%	0.588	34%	0.341	S	S	*	.			trans	-70.9	109.2	178.8	-62.8	-49	0	0	0	110.6	H520	D503-H520 PolarHBondContact O-CE1 2.86Å
504	T	92.3	Very high	93.1	Very high	19 Å²	19	54 Å²	54	12%	0.117	33%	0.327	C	S	.	.			trans	-103.6	143.4	177	49.7	0	0	0	0	110.3	I502 N518 R519 N543	I502-T504 PolarHBondContact O-N 3.34Å; I502-T504 VanDerWaalsContact O-N 3.15Å; T504-N518 HydrophobicContact CG2-CB 4.03Å; T504-N518 WeakPolarHBondContact OG1-CB 2.98Å; T504-R519 WeakPolarHBondContact CB-O 3.43Å; T504-N543 VanDerWaalsContact O-CB 3.3Å; T504-N543 WeakPolarHBondContact O-CB 2.78Å; T504-N543 PolarHBondContact O-ND2 3.16Å
505	R	90.9	Very high	93.1	Very high	91 Å²	91	54.9 Å²	54.9	34%	0.343	33%	0.333	S	S	.	.	S	Bend	trans	-75.9	-28.1	-178.5	-170.9	173.3	-173	-163.1	1	113.3	R519 I542 N543 R561 H565	R505-R519 PolarHBondContact N-O 2.93Å; R505-I542 HydrophobicContact CG-CG2 4.39Å; R505-I542 WeakPolarHBondContact O-CA 3.31Å; R505-I542 WeakPolarHBondContact O-CG2 3.36Å; R505-N543 PolarHBondContact O-N 2.72Å; R505-R561 PolarHBondContact NH2-O 2.96Å; R505-H565 PolarHBondContact NH2-CD2 2.61Å; R505-H565 VanDerWaalsContact NH2-CD2 3.27Å
506	F	93.7	Very high	93.2	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.5	-172.7	-55.6	-70.4	0	0	0	111	Y508 R519 K522 L540 L541 I542 H565	F506-Y508 HydrophobicContact CB-CE2 4.49Å; F506-R519 PolarHBondContact N-O 3.15Å; F506-R519 PolarHBondContact O-N 3.07Å; F506-R519 VanDerWaalsContact O-O 3.05Å; F506-K522 HydrophobicContact CD1-CG 4.22Å; F506-K522 HydrophobicContact CD2-CG 4.43Å; F506-K522 HydrophobicContact CE1-CG 3.97Å; F506-K522 HydrophobicContact CE2-CG 4.19Å; F506-K522 HydrophobicContact CG-CG 4.44Å; F506-K522 HydrophobicContact CZ-CG 3.95Å; F506-L540 HydrophobicContact CB-CD1 3.91Å; F506-L540 HydrophobicContact CD1-CD1 4.02Å; F506-L540 HydrophobicContact CG-CD1 4.31Å; F506-L541 WeakPolarHBondContact CA-O 3.47Å; F506-I542 HydrophobicContact CD1-CG1 4.13Å; F506-I542 HydrophobicContact CE1-CD1 4.29Å; F506-I542 HydrophobicContact CE1-CG1 4.14Å; F506-I542 HydrophobicContact CE1-CG2 4.46Å; F506-H565 AromaticContact CE1-CE1 3.99Å; F506-H565 AromaticContact CE1-ND1 3.92Å; F506-H565 AromaticContact CZ-CE1 3.75Å; F506-H565 AromaticContact CZ-ND1 3.62Å
507	T	95.5	Very high	93.3	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.3	171.3	-63.2	0	0	0	0	109.1	C516 I517 N518 L541 N543 M549	T507-C516 HydrophobicContact CG2-CB 3.64Å; T507-I517 WeakPolarHBondContact CA-O 3.47Å; T507-N518 WeakPolarHBondContact CB-OD1 3.41Å; T507-N518 VanDerWaalsContact CG2-OD1 3.23Å; T507-N518 WeakPolarHBondContact CG2-OD1 3.35Å; T507-N518 PolarHBondContact OG1-OD1 2.86Å; T507-L541 PolarHBondContact N-O 3.26Å; T507-L541 WeakPolarHBondContact O-CB 3.49Å; T507-L541 PolarHBondContact O-N 2.91Å; T507-N543 PolarHBondContact OG1-ND2 2.86Å; T507-N543 PolarHBondContact OG1-OD1 2.84Å; T507-M549 HydrophobicContact CG2-CE 3.53Å
508	Y	96.1	Very high	93.4	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.6	175	-66.6	-89.6	0	0	0	108.6	F506 C516 I517 R519 K522 S523 L524 I526 E539 L540	F506-Y508 HydrophobicContact CB-CE2 4.49Å; Y508-C516 CarbonylContact O-C 3.57Å; Y508-C516 WeakPolarHBondContact O-CA 3.47Å; Y508-I517 PolarHBondContact N-O 3.44Å; Y508-I517 PolarHBondContact O-N 2.83Å; Y508-R519 HydrophobicContact CD2-CB 4.46Å; Y508-R519 HydrophobicContact CD2-CG 4.04Å; Y508-R519 HydrophobicContact CE2-CB 4.1Å; Y508-R519 HydrophobicContact CE2-CG 3.92Å; Y508-K522 VanDerWaalsContact OH-CA 3.22Å; Y508-K522 WeakPolarHBondContact OH-CA 3.39Å; Y508-S523 PolarHBondContact OH-N 3.08Å; Y508-L524 HydrophobicContact CD1-CB 3.95Å; Y508-L524 HydrophobicContact CD1-CD2 3.87Å; Y508-L524 HydrophobicContact CD1-CG 4.43Å; Y508-L524 HydrophobicContact CD2-CB 3.86Å; Y508-L524 HydrophobicContact CD2-CD2 4.21Å; Y508-L524 HydrophobicContact CE1-CB 3.7Å; Y508-L524 HydrophobicContact CE1-CD2 4.45Å; Y508-L524 WeakPolarHBondContact CE1-O 3.37Å; Y508-L524 HydrophobicContact CE2-CB 3.63Å; Y508-L524 HydrophobicContact CG-CB 3.99Å; Y508-L524 HydrophobicContact CG-CD2 3.69Å; Y508-L524 HydrophobicContact CG-CG 4.48Å; Y508-L524 VanDerWaalsContact CZ-CB 3.5Å; Y508-L524 PolarHBondContact OH-N 3.05Å; Y508-L524 VanDerWaalsContact OH-N 3.09Å; Y508-L524 PolarHBondContact OH-O 2.92Å; Y508-L524 VanDerWaalsContact OH-O 3.09Å; Y508-I526 HydrophobicContact CD1-CG2 3.57Å; Y508-I526 HydrophobicContact CE1-CG2 3.63Å; Y508-E539 CarbonylContact C-O 3.53Å; Y508-E539 WeakPolarHBondContact CA-O 3.46Å; Y508-L540 HydrophobicContact CD1-CB 4.4Å; Y508-L540 HydrophobicContact CD1-CD1 4.11Å; Y508-L540 HydrophobicContact CE1-CB 4.27Å; Y508-L540 HydrophobicContact CE1-CD1 3.76Å; Y508-L540 HydrophobicContact CE2-CD1 4.22Å
509	R	96.7	Very high	93.9	Very high	99 Å²	99	55.2 Å²	55.2	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.4	-179.8	179.3	166.7	67.6	-175.2	2.8	110	T511 F538 E539 L541	R509-T511 PolarHBondContact O-N 3.26Å; R509-F538 CarbonylContact O-C 3.58Å; R509-F538 WeakPolarHBondContact O-CA 3.25Å; R509-E539 HydrophobicContact CB-CG 4.09Å; R509-E539 IonicContact CZ-OE1 3.2Å; R509-E539 PolarHBondContact N-O 2.69Å; R509-E539 IonicContact NE-OE1 3.61Å; R509-E539 PolarHBondContact NE-OE1 3.28Å; R509-E539 IonicContact NH2-OE1 2.73Å; R509-E539 PolarHBondContact NH2-OE1 3.33Å; R509-E539 PolarHBondContact O-N 2.9Å; R509-L541 HydrophobicContact CB-CD1 3.96Å
510	C	97.6	Very high	94.1	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	128.1	171.7	179.7	0	0	0	0	110.2	G512 G514 V515 C531 C534 F538	C510-G512 PolarHBondContact O-N 3.48Å; C510-G514 VanDerWaalsContact O-CA 3.32Å; C510-G514 WeakPolarHBondContact O-CA 3.47Å; C510-G514 PolarHBondContact O-N 2.95Å; C510-V515 HydrophobicContact CB-CB 4.35Å; C510-V515 WeakPolarHBondContact CB-O 3.49Å; C510-V515 PolarHBondContact N-O 3.34Å; C510-C531 HydrophobicContact CB-CB 4Å; C510-C531 WeakPolarHBondContact SG-CB 3.33Å; C510-C531 VanDerWaalsContact SG-SG 3.69Å; C510-C534 PolarHBondContact SG-SG 2.91Å; C510-F538 HydrophobicContact CB-CD1 4.25Å; C510-F538 HydrophobicContact CB-CE1 4.04Å
511	T	96.7	Very high	94	Very high	87 Å²	87	52.8 Å²	52.8	53%	0.534	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.4	-178	65.5	0	0	0	0	113.7	R509 K537 E539	R509-T511 PolarHBondContact O-N 3.26Å; T511-K537 PolarHBondContact N-O 2.9Å; T511-K537 PolarHBondContact OG1-O 2.87Å; T511-E539 HydrophobicContact CG2-CB 4.17Å; T511-E539 HydrophobicContact CG2-CG 4.43Å
512	G	96.6	Very high	94	Very high	49 Å²	49	51.7 Å²	51.7	51%	0.505	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-83.2	173.3	0	0	0	0	0	111.3	C510 G514	C510-G512 PolarHBondContact O-N 3.48Å; G512-G514 VanDerWaalsContact C-N 3.29Å; G512-G514 PolarHBondContact O-N 3.37Å
513	C	97.1	Very high	93.9	Very high	52 Å²	52	53 Å²	53	35%	0.351	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	6.1	-174.7	66.7	0	0	0	0	116	V515 C534	C513-V515 PolarHBondContact O-N 3.37Å; C513-V515 VanDerWaalsContact SG-CG2 3.51Å; C513-C534 HydrophobicContact CB-CB 4.15Å; C513-C534 PolarHBondContact N-SG 2.87Å; C513-C534 PolarHBondContact SG-SG 2.97Å
514	G	96	Very high	93.9	Very high	31 Å²	31	49.1 Å²	49.1	32%	0.32	28%	0.277	S	S	.	.			trans	69.6	-8.2	177.3	0	0	0	0	0	116.7	C510 G512 C516	C510-G514 VanDerWaalsContact O-CA 3.32Å; C510-G514 WeakPolarHBondContact O-CA 3.47Å; C510-G514 PolarHBondContact O-N 2.95Å; G512-G514 VanDerWaalsContact C-N 3.29Å; G512-G514 PolarHBondContact O-N 3.37Å; G514-C516 PolarHBondContact O-N 3.34Å; G514-C516 PolarHBondContact O-SG 3.44Å
515	V	95.3	Very high	93.9	Very high	34 Å²	34	51.4 Å²	51.4	21%	0.206	29%	0.288	C	S	.	.			trans	-50.2	129.8	178.5	169.8	0	0	0	0	111.2	P260 C510 C513	P260-V515 HydrophobicContact CG-CG1 3.85Å; C510-V515 HydrophobicContact CB-CB 4.35Å; C510-V515 WeakPolarHBondContact CB-O 3.49Å; C510-V515 PolarHBondContact N-O 3.34Å; C513-V515 PolarHBondContact O-N 3.37Å; C513-V515 VanDerWaalsContact SG-CG2 3.51Å
516	C	95.1	Very high	94	Very high	59 Å²	59	50.1 Å²	50.1	40%	0.399	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.7	-173.3	-75.7	0	0	0	0	112.2	T507 Y508 G514	T507-C516 HydrophobicContact CG2-CB 3.64Å; Y508-C516 CarbonylContact O-C 3.57Å; Y508-C516 WeakPolarHBondContact O-CA 3.47Å; G514-C516 PolarHBondContact O-N 3.34Å; G514-C516 PolarHBondContact O-SG 3.44Å
517	I	93.5	Very high	93.8	Very high	26 Å²	26	55.8 Å²	55.8	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.9	178.3	-59.2	-178.1	0	0	0	109.5	T507 Y508 R519 F538	T507-I517 WeakPolarHBondContact CA-O 3.47Å; Y508-I517 PolarHBondContact N-O 3.44Å; Y508-I517 PolarHBondContact O-N 2.83Å; I517-R519 VanDerWaalsContact CG2-NH1 3.25Å; I517-F538 HydrophobicContact CD1-CE1 3.74Å; I517-F538 HydrophobicContact CD1-CE2 4.35Å; I517-F538 HydrophobicContact CD1-CZ 3.46Å; I517-F538 VanDerWaalsContact CD1-CZ 3.46Å; I517-F538 HydrophobicContact CG1-CE1 4.11Å; I517-F538 HydrophobicContact CG1-CZ 4.33Å
518	N	93.4	Very high	93.7	Very high	84 Å²	84	65.6 Å²	65.6	45%	0.449	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.3	-177.3	-72.5	-11.5	0	0	0	112.1	T504 T507	T504-N518 HydrophobicContact CG2-CB 4.03Å; T504-N518 WeakPolarHBondContact OG1-CB 2.98Å; T507-N518 WeakPolarHBondContact CB-OD1 3.41Å; T507-N518 VanDerWaalsContact CG2-OD1 3.23Å; T507-N518 WeakPolarHBondContact CG2-OD1 3.35Å; T507-N518 PolarHBondContact OG1-OD1 2.86Å
519	R	93.5	Very high	93.6	Very high	102 Å²	102	71.2 Å²	71.2	39%	0.385	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	143.2	-178	-64.9	-65.5	-178.3	-101.4	5.6	112.4	T504 R505 F506 Y508 I517 S521	T504-R519 WeakPolarHBondContact CB-O 3.43Å; R505-R519 PolarHBondContact N-O 2.93Å; F506-R519 PolarHBondContact N-O 3.15Å; F506-R519 PolarHBondContact O-N 3.07Å; F506-R519 VanDerWaalsContact O-O 3.05Å; Y508-R519 HydrophobicContact CD2-CB 4.46Å; Y508-R519 HydrophobicContact CD2-CG 4.04Å; Y508-R519 HydrophobicContact CE2-CB 4.1Å; Y508-R519 HydrophobicContact CE2-CG 3.92Å; I517-R519 VanDerWaalsContact CG2-NH1 3.25Å; R519-S521 WeakPolarHBondContact CB-O 3.23Å
520	H	90.8	Very high	93.5	Very high	45 Å²	45	70.7 Å²	70.7	21%	0.208	39%	0.388	C	S	.	.	S	Bend	trans	-77.6	-22.8	173.8	-70.3	-73.5	0	0	0	113.5	L409 I502 D503	L409-H520 HydrophobicContact CD2-CB 4.4Å; L409-H520 PolarHBondContact O-NE2 3.19Å; I502-H520 WeakPolarHBondContact CG2-CE1 3.39Å; I502-H520 WeakPolarHBondContact CG2-NE2 3.3Å; D503-H520 PolarHBondContact O-CE1 2.86Å
521	S	91.1	Very high	93.5	Very high	60 Å²	60	70.7 Å²	70.7	42%	0.42	39%	0.388	S	S	.	.	S	Bend	trans	-125	165.7	-179.7	56.1	0	0	0	0	111.6	R519 S523	R519-S521 WeakPolarHBondContact CB-O 3.23Å; S521-S523 PolarHBondContact O-N 2.93Å; S521-S523 WeakPolarHBondContact OG-CB 3.23Å; S521-S523 PolarHBondContact OG-OG 3.06Å
522	K	90.1	Very high	93.4	Very high	80 Å²	80	68.5 Å²	68.5	35%	0.348	38%	0.382	S	S	.	.	S	Bend	trans	-74.9	49.2	172.1	-76.9	-174.5	159.8	-168.8	0	111.8	F506 Y508 L540 H565	F506-K522 HydrophobicContact CD1-CG 4.22Å; F506-K522 HydrophobicContact CD2-CG 4.43Å; F506-K522 HydrophobicContact CE1-CG 3.97Å; F506-K522 HydrophobicContact CE2-CG 4.19Å; F506-K522 HydrophobicContact CG-CG 4.44Å; F506-K522 HydrophobicContact CZ-CG 3.95Å; Y508-K522 VanDerWaalsContact OH-CA 3.22Å; Y508-K522 WeakPolarHBondContact OH-CA 3.39Å; K522-L540 HydrophobicContact CD-CD2 4.3Å; K522-L540 HydrophobicContact CG-CD2 4.22Å; K522-H565 WeakPolarHBondContact CD-CE1 3.37Å; K522-H565 WeakPolarHBondContact CE-CE1 3.37Å; K522-H565 PolarHBondContact NZ-CE1 2.9Å; K522-H565 PolarHBondContact NZ-O 3.36Å
523	S	89.5	Confident	93.3	Very high	75 Å²	75	72.6 Å²	72.6	52%	0.524	39%	0.388	S	S	.	.			trans	-89.4	-7.7	-168.8	50.9	0	0	0	0	116.1	Y508 S521	Y508-S523 PolarHBondContact OH-N 3.08Å; S521-S523 PolarHBondContact O-N 2.93Å; S521-S523 WeakPolarHBondContact OG-CB 3.23Å; S521-S523 PolarHBondContact OG-OG 3.06Å
524	L	91.2	Very high	93.3	Very high	28 Å²	28	72.3 Å²	72.3	15%	0.147	39%	0.386	C	S	.	.			trans	-94	114.8	171.5	-165.8	77.1	0	0	0	109.8	Y508 I526 K529 F538	Y508-L524 HydrophobicContact CD1-CB 3.95Å; Y508-L524 HydrophobicContact CD1-CD2 3.87Å; Y508-L524 HydrophobicContact CD1-CG 4.43Å; Y508-L524 HydrophobicContact CD2-CB 3.86Å; Y508-L524 HydrophobicContact CD2-CD2 4.21Å; Y508-L524 HydrophobicContact CE1-CB 3.7Å; Y508-L524 HydrophobicContact CE1-CD2 4.45Å; Y508-L524 WeakPolarHBondContact CE1-O 3.37Å; Y508-L524 HydrophobicContact CE2-CB 3.63Å; Y508-L524 HydrophobicContact CG-CB 3.99Å; Y508-L524 HydrophobicContact CG-CD2 3.69Å; Y508-L524 HydrophobicContact CG-CG 4.48Å; Y508-L524 VanDerWaalsContact CZ-CB 3.5Å; Y508-L524 PolarHBondContact OH-N 3.05Å; Y508-L524 VanDerWaalsContact OH-N 3.09Å; Y508-L524 PolarHBondContact OH-O 2.92Å; Y508-L524 VanDerWaalsContact OH-O 3.09Å; L524-I526 PolarHBondContact O-N 2.7Å; L524-K529 HydrophobicContact CD1-CB 3.91Å; L524-K529 HydrophobicContact CD1-CG 3.85Å; L524-K529 HydrophobicContact CG-CB 4.17Å; L524-K529 HydrophobicContact CG-CG 4.43Å; L524-F538 HydrophobicContact CD2-CB 4.41Å; L524-F538 HydrophobicContact CD2-CD1 4.44Å; L524-F538 HydrophobicContact CD2-CD2 3.71Å; L524-F538 HydrophobicContact CD2-CE2 4Å; L524-F538 HydrophobicContact CD2-CG 3.95Å
525	D	91.8	Very high	93.3	Very high	66 Å²	66	80.8 Å²	80.8	35%	0.353	41%	0.408	S	S	.	.			trans	-76.4	103.1	170.6	178.4	-3.4	0	0	0	110.1	T527 R528 K529	D525-T527 PolarHBondContact O-N 2.89Å; D525-T527 WeakPolarHBondContact OD1-CA 3.49Å; D525-T527 WeakPolarHBondContact OD1-CB 3.2Å; D525-T527 PolarHBondContact OD1-N 2.73Å; D525-T527 PolarHBondContact OD1-OG1 3.49Å; D525-T527 PolarHBondContact OD2-OG1 3.35Å; D525-R528 HydrophobicContact CB-CB 4.46Å; D525-R528 PolarHBondContact O-N 3.42Å; D525-R528 PolarHBondContact OD1-N 2.77Å; D525-R528 WeakPolarHBondContact OD2-CD 3.46Å; D525-R528 WeakPolarHBondContact OD2-CG 3.31Å; D525-K529 VanDerWaalsContact O-CB 3.31Å; D525-K529 WeakPolarHBondContact O-CB 3.4Å; D525-K529 PolarHBondContact O-N 2.97Å
526	I	92.1	Very high	93.4	Very high	65 Å²	65	80.9 Å²	80.9	33%	0.333	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.1	-179.4	66	176.2	0	0	0	114.3	Y508 L524 F538	Y508-I526 HydrophobicContact CD1-CG2 3.57Å; Y508-I526 HydrophobicContact CE1-CG2 3.63Å; L524-I526 PolarHBondContact O-N 2.7Å; I526-F538 HydrophobicContact CB-CB 4.42Å; I526-F538 WeakPolarHBondContact CB-O 3.36Å; I526-F538 HydrophobicContact CG2-CB 3.84Å
527	T	90.8	Very high	93.4	Very high	121 Å²	121	85 Å²	85	74%	0.742	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-35.3	173.1	73.5	0	0	0	0	111.3	D525	D525-T527 PolarHBondContact O-N 2.89Å; D525-T527 WeakPolarHBondContact OD1-CA 3.49Å; D525-T527 WeakPolarHBondContact OD1-CB 3.2Å; D525-T527 PolarHBondContact OD1-N 2.73Å; D525-T527 PolarHBondContact OD1-OG1 3.49Å; D525-T527 PolarHBondContact OD2-OG1 3.35Å
528	R	92.7	Very high	93.6	Very high	209 Å²	209	84.2 Å²	84.2	79%	0.789	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-20.1	-178.4	-65.6	177.6	71.5	-167.8	3.5	114.6	D525	D525-R528 HydrophobicContact CB-CB 4.46Å; D525-R528 PolarHBondContact O-N 3.42Å; D525-R528 PolarHBondContact OD1-N 2.77Å; D525-R528 WeakPolarHBondContact OD2-CD 3.46Å; D525-R528 WeakPolarHBondContact OD2-CG 3.31Å
529	K	93.9	Very high	93.6	Very high	122 Å²	122	81.6 Å²	81.6	53%	0.53	40%	0.403	S	S	.	.			trans	-110.8	128.1	-176.7	-62.1	-65.7	-173	175.7	0	111.8	L524 D525	L524-K529 HydrophobicContact CD1-CB 3.91Å; L524-K529 HydrophobicContact CD1-CG 3.85Å; L524-K529 HydrophobicContact CG-CB 4.17Å; L524-K529 HydrophobicContact CG-CG 4.43Å; D525-K529 VanDerWaalsContact O-CB 3.31Å; D525-K529 WeakPolarHBondContact O-CB 3.4Å; D525-K529 PolarHBondContact O-N 2.97Å
530	I	95.8	Very high	93.7	Very high	88 Å²	88	77.9 Å²	77.9	45%	0.451	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-112.4	160.5	172.9	60.5	176.1	0	0	0	109.6	G532 R535 S536 F538	I530-G532 PolarHBondContact O-N 3.18Å; I530-R535 HydrophobicContact CD1-CB 4.08Å; I530-R535 HydrophobicContact CD1-CG 4.4Å; I530-S536 WeakPolarHBondContact CA-O 3.29Å; I530-F538 VanDerWaalsContact C-CE2 3.46Å
531	C	96.9	Very high	93.9	Very high	2 Å²	2	76 Å²	76	1%	0.014	38%	0.381	C	S	.	.			trans	-73.7	119.6	179.7	177.4	0	0	0	0	111.7	C510 H533 C534 R535 S536 F538	C510-C531 HydrophobicContact CB-CB 4Å; C510-C531 WeakPolarHBondContact SG-CB 3.33Å; C510-C531 VanDerWaalsContact SG-SG 3.69Å; C531-H533 PolarHBondContact O-N 3.33Å; C531-H533 VanDerWaalsContact O-N 3.1Å; C531-C534 PolarHBondContact O-N 3.33Å; C531-R535 VanDerWaalsContact O-CA 3.25Å; C531-R535 WeakPolarHBondContact O-CA 3.45Å; C531-R535 PolarHBondContact O-N 3.06Å; C531-S536 PolarHBondContact N-O 3.03Å; C531-F538 HydrophobicContact CB-CE1 4.2Å; C531-F538 HydrophobicContact CB-CE2 4.04Å; C531-F538 HydrophobicContact CB-CZ 3.66Å
532	G	94.2	Very high	94	Very high	41 Å²	41	73.1 Å²	73.1	42%	0.423	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.8	177.1	0	0	0	0	0	115.7	D258 I530	D258-G532 PolarHBondContact OD2-N 2.84Å; D258-G532 VanDerWaalsContact OD2-N 3.12Å; I530-G532 PolarHBondContact O-N 3.18Å
533	H	94.6	Very high	94.1	Very high	135 Å²	135	71 Å²	71	63%	0.625	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-38.5	-179.7	-172.2	-42.6	0	0	0	114	C531	C531-H533 PolarHBondContact O-N 3.33Å; C531-H533 VanDerWaalsContact O-N 3.1Å
534	C	97	Very high	94	Very high	45 Å²	45	68.6 Å²	68.6	30%	0.304	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	10	-173.4	72.5	0	0	0	0	115	C510 C513 C531 S536	C510-C534 PolarHBondContact SG-SG 2.91Å; C513-C534 HydrophobicContact CB-CB 4.15Å; C513-C534 PolarHBondContact N-SG 2.87Å; C513-C534 PolarHBondContact SG-SG 2.97Å; C531-C534 PolarHBondContact O-N 3.33Å; C534-S536 PolarHBondContact O-N 3.29Å
535	R	95.9	Very high	93.4	Very high	209 Å²	209	73.3 Å²	73.3	79%	0.789	37%	0.369	S	S	*	.			trans	58.3	6.4	176.8	-57.1	-179.8	-177.9	179.9	-0.4	116	I530 C531	I530-R535 HydrophobicContact CD1-CB 4.08Å; I530-R535 HydrophobicContact CD1-CG 4.4Å; C531-R535 VanDerWaalsContact O-CA 3.25Å; C531-R535 WeakPolarHBondContact O-CA 3.45Å; C531-R535 PolarHBondContact O-N 3.06Å
536	S	96.6	Very high	92.8	Very high	37 Å²	37	78.8 Å²	78.8	26%	0.259	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73.5	161.5	174.2	-61.3	0	0	0	0	112.1	I530 C531 C534	I530-S536 WeakPolarHBondContact CA-O 3.29Å; C531-S536 PolarHBondContact N-O 3.03Å; C534-S536 PolarHBondContact O-N 3.29Å
537	K	96.4	Very high	92.3	Very high	146 Å²	146	79 Å²	79	64%	0.635	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-72.3	166.7	177.1	-63.4	-176.4	-179.4	-179.8	0	111.7	T511	T511-K537 PolarHBondContact N-O 2.9Å; T511-K537 PolarHBondContact OG1-O 2.87Å
538	F	96.6	Very high	92.2	Very high	9 Å²	9	80.4 Å²	80.4	4%	0.039	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.1	170.6	-71.6	-79.3	0	0	0	111.2	R509 C510 I517 L524 I526 I530 C531	R509-F538 CarbonylContact O-C 3.58Å; R509-F538 WeakPolarHBondContact O-CA 3.25Å; C510-F538 HydrophobicContact CB-CD1 4.25Å; C510-F538 HydrophobicContact CB-CE1 4.04Å; I517-F538 HydrophobicContact CD1-CE1 3.74Å; I517-F538 HydrophobicContact CD1-CE2 4.35Å; I517-F538 HydrophobicContact CD1-CZ 3.46Å; I517-F538 VanDerWaalsContact CD1-CZ 3.46Å; I517-F538 HydrophobicContact CG1-CE1 4.11Å; I517-F538 HydrophobicContact CG1-CZ 4.33Å; L524-F538 HydrophobicContact CD2-CB 4.41Å; L524-F538 HydrophobicContact CD2-CD1 4.44Å; L524-F538 HydrophobicContact CD2-CD2 3.71Å; L524-F538 HydrophobicContact CD2-CE2 4Å; L524-F538 HydrophobicContact CD2-CG 3.95Å; I526-F538 HydrophobicContact CB-CB 4.42Å; I526-F538 WeakPolarHBondContact CB-O 3.36Å; I526-F538 HydrophobicContact CG2-CB 3.84Å; I530-F538 VanDerWaalsContact C-CE2 3.46Å; C531-F538 HydrophobicContact CB-CE1 4.2Å; C531-F538 HydrophobicContact CB-CE2 4.04Å; C531-F538 HydrophobicContact CB-CZ 3.66Å
539	E	95	Very high	92.2	Very high	29 Å²	29	74.4 Å²	74.4	14%	0.136	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	149.1	159.8	71.1	176.3	151.4	0	0	110.7	Y508 R509 T511 R551	Y508-E539 CarbonylContact C-O 3.53Å; Y508-E539 WeakPolarHBondContact CA-O 3.46Å; R509-E539 HydrophobicContact CB-CG 4.09Å; R509-E539 IonicContact CZ-OE1 3.2Å; R509-E539 PolarHBondContact N-O 2.69Å; R509-E539 IonicContact NE-OE1 3.61Å; R509-E539 PolarHBondContact NE-OE1 3.28Å; R509-E539 IonicContact NH2-OE1 2.73Å; R509-E539 PolarHBondContact NH2-OE1 3.33Å; R509-E539 PolarHBondContact O-N 2.9Å; T511-E539 HydrophobicContact CG2-CB 4.17Å; T511-E539 HydrophobicContact CG2-CG 4.43Å; E539-R551 IonicContact OE2-CZ 3.63Å; E539-R551 IonicContact OE2-NE 2.7Å; E539-R551 PolarHBondContact OE2-NE 3.4Å; E539-R551 IonicContact OE2-NH2 3.28Å; E539-R551 PolarHBondContact OE2-NH2 3.36Å
540	L	95.4	Very high	92.2	Very high	24 Å²	24	69.7 Å²	69.7	13%	0.126	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.4	174.8	174.7	64.9	0	0	0	110.9	F506 Y508 K522 P552	F506-L540 HydrophobicContact CB-CD1 3.91Å; F506-L540 HydrophobicContact CD1-CD1 4.02Å; F506-L540 HydrophobicContact CG-CD1 4.31Å; Y508-L540 HydrophobicContact CD1-CB 4.4Å; Y508-L540 HydrophobicContact CD1-CD1 4.11Å; Y508-L540 HydrophobicContact CE1-CB 4.27Å; Y508-L540 HydrophobicContact CE1-CD1 3.76Å; Y508-L540 HydrophobicContact CE2-CD1 4.22Å; K522-L540 HydrophobicContact CD-CD2 4.3Å; K522-L540 HydrophobicContact CG-CD2 4.22Å; L540-P552 HydrophobicContact CD2-CG 4.13Å; L540-P552 HydrophobicContact CG-CG 4.29Å; L540-P552 WeakPolarHBondContact O-CD 3.47Å
541	L	94.8	Very high	92	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.1	169.3	-56.1	171.9	0	0	0	109.8	F506 T507 R509 M549 L550 R551	F506-L541 WeakPolarHBondContact CA-O 3.47Å; T507-L541 PolarHBondContact N-O 3.26Å; T507-L541 WeakPolarHBondContact O-CB 3.49Å; T507-L541 PolarHBondContact O-N 2.91Å; R509-L541 HydrophobicContact CB-CD1 3.96Å; L541-M549 HydrophobicContact CB-CB 4.33Å; L541-M549 HydrophobicContact CD1-CB 4.18Å; L541-M549 HydrophobicContact CD1-CE 3.68Å; L541-L550 CarbonylContact C-O 3.31Å; L541-L550 WeakPolarHBondContact CA-O 3.32Å; L541-R551 HydrophobicContact CD2-CG 3.71Å
542	I	93.5	Very high	91.7	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.4	173.4	-49.8	-173.7	0	0	0	108.3	R505 F506 L550 P552 A555 L562 H565	R505-I542 HydrophobicContact CG-CG2 4.39Å; R505-I542 WeakPolarHBondContact O-CA 3.31Å; R505-I542 WeakPolarHBondContact O-CG2 3.36Å; F506-I542 HydrophobicContact CD1-CG1 4.13Å; F506-I542 HydrophobicContact CE1-CD1 4.29Å; F506-I542 HydrophobicContact CE1-CG1 4.14Å; F506-I542 HydrophobicContact CE1-CG2 4.46Å; I542-L550 PolarHBondContact N-O 3.03Å; I542-L550 PolarHBondContact O-N 3.18Å; I542-P552 HydrophobicContact CD1-CB 3.87Å; I542-P552 HydrophobicContact CD1-CG 4.07Å; I542-P552 HydrophobicContact CG1-CB 4.36Å; I542-P552 HydrophobicContact CG1-CG 4.06Å; I542-A555 HydrophobicContact CB-CB 4.08Å; I542-A555 HydrophobicContact CD1-CB 4.19Å; I542-A555 HydrophobicContact CG1-CB 4.45Å; I542-L562 HydrophobicContact CG2-CD1 4.05Å; I542-L562 HydrophobicContact CG2-CD2 4.29Å; I542-H565 HydrophobicContact CD1-CB 3.6Å
543	N	91.9	Very high	91.4	Very high	36 Å²	36	75 Å²	75	19%	0.193	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.1	-179.2	-58.4	-20.6	0	0	0	109.1	T504 R505 T507 M549	T504-N543 VanDerWaalsContact O-CB 3.3Å; T504-N543 WeakPolarHBondContact O-CB 2.78Å; T504-N543 PolarHBondContact O-ND2 3.16Å; R505-N543 PolarHBondContact O-N 2.72Å; T507-N543 PolarHBondContact OG1-ND2 2.86Å; T507-N543 PolarHBondContact OG1-OD1 2.84Å; N543-M549 WeakPolarHBondContact OD1-CG 3.36Å
544	T	86.3	Confident	91.2	Very high	24 Å²	24	71.6 Å²	71.6	15%	0.147	36%	0.363	C	S	.	.			trans	-86.5	154.9	177.4	62.1	0	0	0	0	111.1	K546 G547 R548 L550	T544-K546 PolarHBondContact O-N 3.25Å; T544-G547 PolarHBondContact O-N 2.98Å; T544-R548 PolarHBondContact N-O 3.19Å; T544-R548 WeakPolarHBondContact OG1-CB 3.34Å; T544-R548 PolarHBondContact OG1-N 3.4Å; T544-R548 VanDerWaalsContact OG1-N 3.12Å; T544-R548 PolarHBondContact OG1-O 3.39Å; T544-L550 HydrophobicContact CG2-CD1 3.64Å; T544-L550 HydrophobicContact CG2-CG 4.07Å
545	P	78.8	Confident	90.9	Very high	128 Å²	128	69.5 Å²	69.5	83%	0.831	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.7	173.7	-25.4	35.3	0	0	0	115.1
546	K	79.1	Confident	90.5	Very high	181 Å²	181	59.8 Å²	59.8	79%	0.787	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	21.6	173.9	-61.5	-169.1	176.5	-171.8	0	112.8	T544 R548	T544-K546 PolarHBondContact O-N 3.25Å; K546-R548 PolarHBondContact O-N 3.38Å; K546-R548 VanDerWaalsContact O-N 3.08Å
547	G	82.9	Confident	90.1	Very high	69 Å²	69	65 Å²	65	71%	0.711	33%	0.333	S	S	*	.	S	Bend	trans	70.9	-3	178.5	0	0	0	0	0	116.1	T544	T544-G547 PolarHBondContact O-N 2.98Å
548	R	88.3	Confident	89.5	Confident	151 Å²	151	65.5 Å²	65.5	57%	0.57	33%	0.332	S	S	*	.			trans	-80.3	132.9	-179.5	-51.2	-178.6	-175.8	178.2	-1.9	110.9	T544 K546 L550	T544-R548 PolarHBondContact N-O 3.19Å; T544-R548 WeakPolarHBondContact OG1-CB 3.34Å; T544-R548 PolarHBondContact OG1-N 3.4Å; T544-R548 VanDerWaalsContact OG1-N 3.12Å; T544-R548 PolarHBondContact OG1-O 3.39Å; K546-R548 PolarHBondContact O-N 3.38Å; K546-R548 VanDerWaalsContact O-N 3.08Å; R548-L550 HydrophobicContact CB-CD2 4.21Å; R548-L550 HydrophobicContact CB-CG 4.27Å
549	M	92.4	Very high	88.8	Confident	83 Å²	83	66.8 Å²	66.8	41%	0.409	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.9	171.7	-59.6	166.6	57.4	0	0	109.2	T507 L541 N543	T507-M549 HydrophobicContact CG2-CE 3.53Å; L541-M549 HydrophobicContact CB-CB 4.33Å; L541-M549 HydrophobicContact CD1-CB 4.18Å; L541-M549 HydrophobicContact CD1-CE 3.68Å; N543-M549 WeakPolarHBondContact OD1-CG 3.36Å
550	L	92.9	Very high	88.2	Confident	23 Å²	23	73.5 Å²	73.5	12%	0.12	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.9	-173.4	-59	-178.3	0	0	0	111.7	L541 I542 T544 R548 L554 A555 Y558	L541-L550 CarbonylContact C-O 3.31Å; L541-L550 WeakPolarHBondContact CA-O 3.32Å; I542-L550 PolarHBondContact N-O 3.03Å; I542-L550 PolarHBondContact O-N 3.18Å; T544-L550 HydrophobicContact CG2-CD1 3.64Å; T544-L550 HydrophobicContact CG2-CG 4.07Å; R548-L550 HydrophobicContact CB-CD2 4.21Å; R548-L550 HydrophobicContact CB-CG 4.27Å; L550-L554 HydrophobicContact CD1-CG 4.49Å; L550-L554 HydrophobicContact CD2-CD2 4.06Å; L550-A555 HydrophobicContact CB-CB 3.94Å; L550-Y558 HydrophobicContact CD1-CD2 3.69Å; L550-Y558 HydrophobicContact CD1-CE2 4.02Å
551	R	92.8	Very high	87.5	Confident	147 Å²	147	81 Å²	81	56%	0.555	40%	0.395	S	S	*	.			trans	-61.1	145.2	169	-75.5	-178	174.1	161.1	-0.2	110.2	E539 L541 S553 L554 A555	E539-R551 IonicContact OE2-CZ 3.63Å; E539-R551 IonicContact OE2-NE 2.7Å; E539-R551 PolarHBondContact OE2-NE 3.4Å; E539-R551 IonicContact OE2-NH2 3.28Å; E539-R551 PolarHBondContact OE2-NH2 3.36Å; L541-R551 HydrophobicContact CD2-CG 3.71Å; R551-S553 VanDerWaalsContact C-N 3.29Å; R551-S553 PolarHBondContact O-N 3.04Å; R551-S553 VanDerWaalsContact O-N 3.1Å; R551-L554 PolarHBondContact O-N 3.46Å; R551-A555 PolarHBondContact O-N 3.06Å
552	P	90.1	Very high	86.8	Confident	18 Å²	18	81.4 Å²	81.4	12%	0.117	40%	0.397	C	S	.	.	H	α-helix	trans	-51.7	-38.5	-172.2	-31.3	34.2	0	0	0	116.1	L540 I542 A555 A556 H565 C566	L540-P552 HydrophobicContact CD2-CG 4.13Å; L540-P552 HydrophobicContact CG-CG 4.29Å; L540-P552 WeakPolarHBondContact O-CD 3.47Å; I542-P552 HydrophobicContact CD1-CB 3.87Å; I542-P552 HydrophobicContact CD1-CG 4.07Å; I542-P552 HydrophobicContact CG1-CB 4.36Å; I542-P552 HydrophobicContact CG1-CG 4.06Å; P552-A555 PolarHBondContact O-N 3.5Å; P552-A556 WeakPolarHBondContact O-CB 3.34Å; P552-A556 PolarHBondContact O-N 2.97Å; P552-H565 WeakPolarHBondContact CB-O 3.26Å; P552-C566 PolarHBondContact O-SG 3.22Å; P552-C566 VanDerWaalsContact O-SG 3.38Å
553	S	88.8	Confident	86.1	Confident	76 Å²	76	84.8 Å²	84.8	53%	0.531	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-50.4	176.3	45.2	0	0	0	0	112.6	R551 A556 Q557	R551-S553 VanDerWaalsContact C-N 3.29Å; R551-S553 PolarHBondContact O-N 3.04Å; R551-S553 VanDerWaalsContact O-N 3.1Å; S553-A556 PolarHBondContact O-N 3.5Å; S553-Q557 PolarHBondContact O-N 3.27Å
554	L	90.2	Very high	85.6	Confident	65 Å²	65	88 Å²	88	34%	0.34	44%	0.438	S	S	.	.	H	α-helix	trans	-68.1	-37.8	177.6	-179	59	0	0	0	111.7	L550 R551 A556 Q557 Y558	L550-L554 HydrophobicContact CD1-CG 4.49Å; L550-L554 HydrophobicContact CD2-CD2 4.06Å; R551-L554 PolarHBondContact O-N 3.46Å; L554-A556 VanDerWaalsContact C-N 3.3Å; L554-A556 PolarHBondContact O-N 3.34Å; L554-Q557 VanDerWaalsContact CD1-OE1 3.3Å; L554-Q557 WeakPolarHBondContact O-CB 3.41Å; L554-Q557 PolarHBondContact O-N 2.73Å; L554-Y558 HydrophobicContact CD1-CD2 4.4Å; L554-Y558 HydrophobicContact CD1-CE2 3.62Å; L554-Y558 HydrophobicContact CG-CE2 3.95Å; L554-Y558 VanDerWaalsContact O-CD2 3.26Å; L554-Y558 WeakPolarHBondContact O-CD2 3.44Å
555	A	89.1	Confident	85.2	Confident	0 Å²	0	89.1 Å²	89.1	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-60.2	-41	175.5	0	0	0	0	0	112	I542 L550 R551 P552 Q557 Y558 D559 L562	I542-A555 HydrophobicContact CB-CB 4.08Å; I542-A555 HydrophobicContact CD1-CB 4.19Å; I542-A555 HydrophobicContact CG1-CB 4.45Å; L550-A555 HydrophobicContact CB-CB 3.94Å; R551-A555 PolarHBondContact O-N 3.06Å; P552-A555 PolarHBondContact O-N 3.5Å; A555-Q557 VanDerWaalsContact C-N 3.33Å; A555-Q557 PolarHBondContact O-N 3.1Å; A555-Y558 PolarHBondContact O-N 2.91Å; A555-D559 PolarHBondContact O-N 2.8Å; A555-L562 HydrophobicContact CB-CD1 3.76Å
556	A	87.7	Confident	85.1	Confident	6 Å²	6	84.2 Å²	84.2	5%	0.05	41%	0.409	C	S	.	.	H	α-helix	trans	-73.2	-18.4	179.6	0	0	0	0	0	114.9	P552 S553 L554 L562 L563 C566	P552-A556 WeakPolarHBondContact O-CB 3.34Å; P552-A556 PolarHBondContact O-N 2.97Å; S553-A556 PolarHBondContact O-N 3.5Å; L554-A556 VanDerWaalsContact C-N 3.3Å; L554-A556 PolarHBondContact O-N 3.34Å; A556-L562 HydrophobicContact CB-CB 4.38Å; A556-L563 HydrophobicContact CB-CD2 3.81Å; A556-L563 HydrophobicContact CB-CG 4.03Å; A556-C566 WeakPolarHBondContact CB-SG 3.38Å
557	Q	88.9	Confident	84.4	Confident	145 Å²	145	80.9 Å²	80.9	68%	0.678	41%	0.409	S	S	*	.	H	α-helix	trans	-69.1	-37.9	169.5	-68.5	170.8	-6.5	0	0	111.2	S553 L554 A555	S553-Q557 PolarHBondContact O-N 3.27Å; L554-Q557 VanDerWaalsContact CD1-OE1 3.3Å; L554-Q557 WeakPolarHBondContact O-CB 3.41Å; L554-Q557 PolarHBondContact O-N 2.73Å; A555-Q557 VanDerWaalsContact C-N 3.33Å; A555-Q557 PolarHBondContact O-N 3.1Å
558	Y	84.1	Confident	83.1	Confident	158 Å²	158	81.4 Å²	81.4	62%	0.62	40%	0.402	S	S	*	.	H	α-helix	trans	-85.4	-30.4	179.6	-63.2	-63.6	0	0	0	114.3	L550 L554 A555	L550-Y558 HydrophobicContact CD1-CD2 3.69Å; L550-Y558 HydrophobicContact CD1-CE2 4.02Å; L554-Y558 HydrophobicContact CD1-CD2 4.4Å; L554-Y558 HydrophobicContact CD1-CE2 3.62Å; L554-Y558 HydrophobicContact CG-CE2 3.95Å; L554-Y558 VanDerWaalsContact O-CD2 3.26Å; L554-Y558 WeakPolarHBondContact O-CD2 3.44Å; A555-Y558 PolarHBondContact O-N 2.91Å
559	D	81.9	Confident	80.9	Confident	35 Å²	35	82.7 Å²	82.7	19%	0.187	42%	0.42	C	S	.	.			trans	-138	109.6	176.5	-177.4	-7.2	0	0	0	110.8	A555 R561 L562	A555-D559 PolarHBondContact O-N 2.8Å; D559-R561 PolarHBondContact O-N 3.08Å; D559-R561 VanDerWaalsContact O-N 3.08Å; D559-R561 WeakPolarHBondContact OD1-CB 3.36Å; D559-R561 VanDerWaalsContact OD1-CG 3.31Å; D559-R561 WeakPolarHBondContact OD1-CG 3.47Å; D559-R561 IonicContact OD1-CZ 3.82Å; D559-R561 PolarHBondContact OD1-N 3.48Å; D559-R561 IonicContact OD1-NE 2.7Å; D559-R561 PolarHBondContact OD1-NE 3.28Å; D559-R561 IonicContact OD1-NH2 2.8Å; D559-R561 IonicContact OD2-CZ 3.06Å; D559-R561 VanDerWaalsContact OD2-CZ 3.3Å; D559-R561 IonicContact OD2-NE 3.55Å; D559-R561 PolarHBondContact OD2-NE 2.95Å; D559-R561 IonicContact OD2-NH2 3.81Å; D559-R561 PolarHBondContact OD2-NH2 3.12Å; D559-L562 HydrophobicContact CB-CD1 3.99Å; D559-L562 HydrophobicContact CB-CG 3.93Å; D559-L562 VanDerWaalsContact O-CB 3.29Å; D559-L562 WeakPolarHBondContact O-CB 3.39Å; D559-L562 PolarHBondContact O-N 3.08Å
560	K	81.6	Confident	78.5	Confident	171 Å²	171	87.8 Å²	87.8	74%	0.743	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-59.1	-22.1	-179.7	-65.8	179.8	-178.8	175.5	0	113.2	L562 L563	K560-L562 PolarHBondContact O-N 3.34Å; K560-L563 HydrophobicContact CB-CD1 3.96Å; K560-L563 HydrophobicContact CG-CD1 4.24Å; K560-L563 WeakPolarHBondContact O-CB 3.49Å; K560-L563 WeakPolarHBondContact O-CD1 3.48Å; K560-L563 WeakPolarHBondContact O-CG 3.29Å; K560-L563 PolarHBondContact O-N 3.42Å; K560-L563 VanDerWaalsContact O-N 3.15Å
561	R	82.4	Confident	76.1	Confident	181 Å²	181	91.2 Å²	91.2	68%	0.683	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-69.5	-7.9	173.5	-54.3	171	-63.5	-174.6	5	112.7	R505 D559	R505-R561 PolarHBondContact NH2-O 2.96Å; D559-R561 PolarHBondContact O-N 3.08Å; D559-R561 VanDerWaalsContact O-N 3.08Å; D559-R561 WeakPolarHBondContact OD1-CB 3.36Å; D559-R561 VanDerWaalsContact OD1-CG 3.31Å; D559-R561 WeakPolarHBondContact OD1-CG 3.47Å; D559-R561 IonicContact OD1-CZ 3.82Å; D559-R561 PolarHBondContact OD1-N 3.48Å; D559-R561 IonicContact OD1-NE 2.7Å; D559-R561 PolarHBondContact OD1-NE 3.28Å; D559-R561 IonicContact OD1-NH2 2.8Å; D559-R561 IonicContact OD2-CZ 3.06Å; D559-R561 VanDerWaalsContact OD2-CZ 3.3Å; D559-R561 IonicContact OD2-NE 3.55Å; D559-R561 PolarHBondContact OD2-NE 2.95Å; D559-R561 IonicContact OD2-NH2 3.81Å; D559-R561 PolarHBondContact OD2-NH2 3.12Å
562	L	80	Confident	73.5	Confident	13 Å²	13	89.7 Å²	89.7	7%	0.068	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-97	-9	174.7	-50.4	-176.1	0	0	0	113.1	I542 A555 A556 D559 K560 P564 H565	I542-L562 HydrophobicContact CG2-CD1 4.05Å; I542-L562 HydrophobicContact CG2-CD2 4.29Å; A555-L562 HydrophobicContact CB-CD1 3.76Å; A556-L562 HydrophobicContact CB-CB 4.38Å; D559-L562 HydrophobicContact CB-CD1 3.99Å; D559-L562 HydrophobicContact CB-CG 3.93Å; D559-L562 VanDerWaalsContact O-CB 3.29Å; D559-L562 WeakPolarHBondContact O-CB 3.39Å; D559-L562 PolarHBondContact O-N 3.08Å; K560-L562 PolarHBondContact O-N 3.34Å; L562-P564 VanDerWaalsContact C-CD 3.45Å; L562-P564 VanDerWaalsContact C-N 3.35Å; L562-H565 WeakPolarHBondContact O-CB 3.5Å; L562-H565 PolarHBondContact O-N 3.21Å
563	L	77.9	Confident	71.1	Confident	71 Å²	71	97.6 Å²	97.6	37%	0.372	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-51.1	-41.8	175.5	-75.2	163.7	0	0	0	113.8	A556 K560 H565 C566 V571	A556-L563 HydrophobicContact CB-CD2 3.81Å; A556-L563 HydrophobicContact CB-CG 4.03Å; K560-L563 HydrophobicContact CB-CD1 3.96Å; K560-L563 HydrophobicContact CG-CD1 4.24Å; K560-L563 WeakPolarHBondContact O-CB 3.49Å; K560-L563 WeakPolarHBondContact O-CD1 3.48Å; K560-L563 WeakPolarHBondContact O-CG 3.29Å; K560-L563 PolarHBondContact O-N 3.42Å; K560-L563 VanDerWaalsContact O-N 3.15Å; L563-H565 PolarHBondContact O-N 2.99Å; L563-C566 WeakPolarHBondContact O-CB 3.45Å; L563-C566 PolarHBondContact O-N 3.32Å; L563-C566 VanDerWaalsContact O-N 3.07Å; L563-V571 HydrophobicContact CD2-CG2 4.12Å
564	P	82.3	Confident	68.8	Low	104 Å²	104	102.1 Å²	102.1	68%	0.675	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-63.4	-3.4	175.9	-23.2	35.5	0	0	0	115.1	L562	L562-P564 VanDerWaalsContact C-CD 3.45Å; L562-P564 VanDerWaalsContact C-N 3.35Å
565	H	76.6	Confident	66.3	Low	47 Å²	47	107.1 Å²	107.1	22%	0.218	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-103.9	-5.4	177.1	-58.9	-72.1	0	0	0	113.6	R505 F506 K522 I542 P552 L562 L563	R505-H565 PolarHBondContact NH2-CD2 2.61Å; R505-H565 VanDerWaalsContact NH2-CD2 3.27Å; F506-H565 AromaticContact CE1-CE1 3.99Å; F506-H565 AromaticContact CE1-ND1 3.92Å; F506-H565 AromaticContact CZ-CE1 3.75Å; F506-H565 AromaticContact CZ-ND1 3.62Å; K522-H565 WeakPolarHBondContact CD-CE1 3.37Å; K522-H565 WeakPolarHBondContact CE-CE1 3.37Å; K522-H565 PolarHBondContact NZ-CE1 2.9Å; K522-H565 PolarHBondContact NZ-O 3.36Å; I542-H565 HydrophobicContact CD1-CB 3.6Å; P552-H565 WeakPolarHBondContact CB-O 3.26Å; L562-H565 WeakPolarHBondContact O-CB 3.5Å; L562-H565 PolarHBondContact O-N 3.21Å; L563-H565 PolarHBondContact O-N 2.99Å
566	C	76.7	Confident	63.8	Low	24 Å²	24	112.8 Å²	112.8	16%	0.162	58%	0.577	C	S	.	*			trans	-71.7	123.6	167.4	-57.7	0	0	0	0	110	P552 A556 L563 S568	P552-C566 PolarHBondContact O-SG 3.22Å; P552-C566 VanDerWaalsContact O-SG 3.38Å; A556-C566 WeakPolarHBondContact CB-SG 3.38Å; L563-C566 WeakPolarHBondContact O-CB 3.45Å; L563-C566 PolarHBondContact O-N 3.32Å; L563-C566 VanDerWaalsContact O-N 3.07Å; C566-S568 PolarHBondContact O-N 3.27Å
567	S	65	Low	61.2	Low	112 Å²	112	120.7 Å²	120.7	78%	0.783	61%	0.613	S	S	*	*	S	Bend	trans	-77	17.7	179.7	-51.1	0	0	0	0	114.3
568	S	54.5	Low	58.9	Low	79 Å²	79	118.8 Å²	118.8	55%	0.552	61%	0.613	S	S	*	*			trans	-147.7	120.8	-174.8	-56.7	0	0	0	0	110.6	C566 K570	C566-S568 PolarHBondContact O-N 3.27Å; S568-K570 PolarHBondContact O-N 3.27Å
569	N	42.6	Very low	56.6	Low	178 Å²	178	118.8 Å²	118.8	95%	0.952	62%	0.619	S	S	*	*	S	Bend	trans	-71.5	14.9	170.8	-76.3	-15.9	0	0	0	113.7	V571	N569-V571 PolarHBondContact O-N 3.21Å
570	K	42.1	Very low	54.5	Low	191 Å²	191	126.4 Å²	126.4	83%	0.83	65%	0.65	S	S	*	*			trans	-96	59.1	174.5	-66.7	-169.6	176.3	-174.8	0	111	S568 T572	S568-K570 PolarHBondContact O-N 3.27Å; K570-T572 VanDerWaalsContact C-N 3.31Å; K570-T572 PolarHBondContact O-N 2.55Å
571	V	42.5	Very low	52.2	Low	95 Å²	95	127.2 Å²	127.2	58%	0.576	65%	0.65	S	S	*	*			trans	-84.8	84.1	160.9	-178.2	0	0	0	0	107	L563 N569 K573	L563-V571 HydrophobicContact CD2-CG2 4.12Å; N569-V571 PolarHBondContact O-N 3.21Å; V571-K573 PolarHBondContact O-N 3.25Å
572	T	39.1	Very low	50	Low	115 Å²	115	129.8 Å²	129.8	71%	0.706	66%	0.66	S	S	*	*			trans	-57.1	122.2	170.3	-51.6	0	0	0	0	108.2	K570 M574	K570-T572 VanDerWaalsContact C-N 3.31Å; K570-T572 PolarHBondContact O-N 2.55Å; T572-M574 VanDerWaalsContact C-N 3.33Å; T572-M574 PolarHBondContact O-N 2.92Å
573	K	40	Very low	48	Very low	183 Å²	183	135.4 Å²	135.4	80%	0.796	69%	0.689	S	S	*	*			trans	-65.3	96.8	166.2	-73.8	-177.7	179.9	177.4	0	107.5	V571 H575	V571-K573 PolarHBondContact O-N 3.25Å; K573-H575 PolarHBondContact O-N 3.41Å
574	M	39.7	Very low	45.9	Very low	171 Å²	171	137.7 Å²	137.7	84%	0.842	71%	0.711	S	S	*	*			trans	-64.2	122.5	157.6	-60.8	-131.1	73.2	0	0	106.3	T572 S576	T572-M574 VanDerWaalsContact C-N 3.33Å; T572-M574 PolarHBondContact O-N 2.92Å; M574-S576 PolarHBondContact O-N 3.29Å
575	H	37.5	Very low	43.8	Very low	170 Å²	170	143.1 Å²	143.1	79%	0.787	72%	0.718	S	S	*	*			trans	-63.5	131.9	172.6	-91.4	-126	0	0	0	108.2	K573 E577	K573-H575 PolarHBondContact O-N 3.41Å; H575-E577 PolarHBondContact O-N 2.93Å
576	S	37.4	Very low	42.1	Very low	120 Å²	120	147 Å²	147	84%	0.839	75%	0.745	S	S	*	*			trans	-76.9	72.6	170	56.4	0	0	0	0	108.8	M574	M574-S576 PolarHBondContact O-N 3.29Å
577	E	33.1	Very low	40.2	Very low	171 Å²	171	150.7 Å²	150.7	80%	0.799	77%	0.769	S	S	*	*			trans	-70.3	126.3	165.7	-173.1	160.1	-151.9	0	0	108.2	H575 E579	H575-E577 PolarHBondContact O-N 2.93Å; E577-E579 PolarHBondContact O-N 3.11Å; E577-E579 VanDerWaalsContact O-N 3.11Å
578	P	39.5	Very low	39.1	Very low	106 Å²	106	152.4 Å²	152.4	69%	0.688	77%	0.769	S	S	*	*			trans	-78.2	100.1	-178.1	30.1	-32.7	0	0	0	109.6	K580	P578-K580 PolarHBondContact O-N 2.82Å
579	E	36	Very low	38.4	Very low	158 Å²	158	157.6 Å²	157.6	74%	0.738	79%	0.785	S	S	*	*			trans	-57.4	98.1	169.8	-77.7	-167.9	132.9	0	0	110.3	E577 Y581	E577-E579 PolarHBondContact O-N 3.11Å; E577-E579 VanDerWaalsContact O-N 3.11Å; E579-Y581 VanDerWaalsContact C-N 3.25Å; E579-Y581 HydrophobicContact CB-CD2 4.23Å; E579-Y581 HydrophobicContact CB-CE2 4.43Å; E579-Y581 PolarHBondContact O-N 2.88Å
580	K	37.3	Very low	37.9	Very low	194 Å²	194	156.5 Å²	156.5	84%	0.843	78%	0.779	S	S	*	*			trans	-68.5	87.3	167.2	-73.7	-179.9	177.5	174.9	0	108.2	P578 R582	P578-K580 PolarHBondContact O-N 2.82Å; K580-R582 PolarHBondContact O-N 2.72Å
581	Y	34.8	Very low	37.7	Very low	188 Å²	188	158.7 Å²	158.7	74%	0.737	78%	0.784	S	S	*	*			trans	-64	77.1	163.4	-97.3	-88.9	0	0	0	109.9	E579 L583	E579-Y581 VanDerWaalsContact C-N 3.25Å; E579-Y581 HydrophobicContact CB-CD2 4.23Å; E579-Y581 HydrophobicContact CB-CE2 4.43Å; E579-Y581 PolarHBondContact O-N 2.88Å; Y581-L583 VanDerWaalsContact C-N 3.3Å; Y581-L583 PolarHBondContact O-N 2.92Å
582	R	35.8	Very low	37.3	Very low	235 Å²	235	161 Å²	161	89%	0.887	79%	0.793	S	S	*	*			trans	-74.6	85	175.1	-172.3	-177.8	-166.8	175.7	3.5	107.5	K580 S584	K580-R582 PolarHBondContact O-N 2.72Å; R582-S584 PolarHBondContact O-N 2.99Å
583	L	36.7	Very low	37.1	Very low	132 Å²	132	161 Å²	161	69%	0.691	79%	0.792	S	S	*	*			trans	-55	107.2	171.8	-105.5	74.9	0	0	0	109	Y581 R585	Y581-L583 VanDerWaalsContact C-N 3.3Å; Y581-L583 PolarHBondContact O-N 2.92Å; L583-R585 VanDerWaalsContact C-N 3.29Å; L583-R585 PolarHBondContact O-N 2.97Å
584	S	34.7	Very low	36.8	Very low	119 Å²	119	159.9 Å²	159.9	83%	0.832	79%	0.79	S	S	*	*			trans	-72.8	85.2	170.5	51.7	0	0	0	0	108.9	R582	R582-S584 PolarHBondContact O-N 2.99Å
585	R	37.8	Very low	36.6	Very low	218 Å²	218	159.6 Å²	159.6	82%	0.823	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.4	124.9	160.8	-66.1	-173.1	-176.3	-177.6	1	108	L583	L583-R585 VanDerWaalsContact C-N 3.29Å; L583-R585 PolarHBondContact O-N 2.97Å
586	T	42.1	Very low	36.4	Very low	127 Å²	127	155 Å²	155	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-62.5	142.3	158.1	44.7	0	0	0	0	108.8
587	P	36.7	Very low	36.1	Very low	102 Å²	102	157.3 Å²	157.3	66%	0.662	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.9	140.3	161.1	34.9	-33.9	0	0	0	108.5
588	D	42.2	Very low	36.1	Very low	149 Å²	149	154.1 Å²	154.1	80%	0.797	79%	0.789	S	S	*	*				177.6	171.4	105	-87.5	-34.4	0	0	0	111
589	E	38.1	Very low	36	Very low	188 Å²	188	156.5 Å²	156.5	88%	0.879	80%	0.796	S	S	*	*			trans	58.7	83.6	170.7	-65.6	-177.9	-176	0	0	117.7
590	N	34	Very low	36.2	Very low	154 Å²	154	156.7 Å²	156.7	82%	0.824	80%	0.8	S	S	*	*			trans	-59.6	134.5	147.8	-69.4	-51.4	0	0	0	109.6
591	Y	36.5	Very low	36	Very low	238 Å²	238	157.6 Å²	157.6	93%	0.933	81%	0.805	S	S	*	*			trans	-144.5	138.9	135.4	-107.7	-73.5	0	0	0	112.8
592	N	34.9	Very low	36.2	Very low	144 Å²	144	151.5 Å²	151.5	77%	0.77	80%	0.799	S	S	*	*			trans	-80.6	163	-161.9	-100.9	-25.6	0	0	0	115.8
593	V	34.1	Very low	36.5	Very low	113 Å²	113	147.9 Å²	147.9	69%	0.685	80%	0.797	S	S	*	*			trans	82.1	119.1	142.3	164	0	0	0	0	120
594	E	33.2	Very low	36.7	Very low	160 Å²	160	150.2 Å²	150.2	75%	0.748	81%	0.809	S	S	*	*			trans	26	122.7	139.8	-46.7	175.4	144	0	0	119.9
595	N	36.3	Very low	36.8	Very low	165 Å²	165	155.2 Å²	155.2	88%	0.882	81%	0.81	S	S	*	*				171.6	172.5	106.8	-94.3	-70.8	0	0	0	111.4
596	G	33.7	Very low	37.2	Very low	74 Å²	74	152.8 Å²	152.8	76%	0.763	81%	0.813	S	S	*	*			trans	110.5	96.8	159.7	0	0	0	0	0	116.5
597	L	31.3	Very low	37.3	Very low	168 Å²	168	159 Å²	159	88%	0.88	83%	0.833	S	S	*	*			trans	-89.5	157.4	153.8	-79.3	168.8	0	0	0	109.9
598	S	33.6	Very low	37.4	Very low	104 Å²	104	161.9 Å²	161.9	73%	0.727	84%	0.842	S	S	*	*			trans	80.2	147.6	162.1	-53.1	0	0	0	0	118.6
599	N	35.9	Very low	37.1	Very low	157 Å²	157	162.6 Å²	162.6	84%	0.84	84%	0.844	S	S	*	*			trans	70	149.8	-179.8	-47.9	-29.7	0	0	0	113.2
600	I	40	Very low	37.1	Very low	161 Å²	161	161.2 Å²	161.2	83%	0.826	84%	0.842	S	S	*	*			cis	-128.7	148.3	18.6	-70.4	166.4	0	0	0	111.1
601	F	34.3	Very low	37.2	Very low	214 Å²	214	161.6 Å²	161.6	94%	0.939	84%	0.843	S	S	*	*			trans	-92.5	151.8	167.5	-98.6	-96.4	0	0	0	111.2
602	G	39.5	Very low	37.3	Very low	60 Å²	60	156.8 Å²	156.8	62%	0.619	84%	0.837	S	S	*	*			trans	116	139	175.4	0	0	0	0	0	112.1
603	D	40.4	Very low	37.5	Very low	159 Å²	159	157.7 Å²	157.7	85%	0.85	84%	0.842	S	S	*	*			cis	-149.5	148.9	-5.7	-95.6	-43.8	0	0	0	109.5
604	L	41	Very low	37.7	Very low	180 Å²	180	160.9 Å²	160.9	94%	0.942	85%	0.853	S	S	*	*			trans	-168.2	117.8	143.5	-108.3	160.6	0	0	0	110.3
605	R	37.1	Very low	38	Very low	225 Å²	225	160.9 Å²	160.9	85%	0.849	86%	0.861	S	S	*	*			trans	-109.4	137.5	-168.8	-178.7	-170.4	-163.7	166.9	4.9	109.6
606	L	47.5	Very low	38.2	Very low	167 Å²	167	160.6 Å²	160.6	87%	0.874	86%	0.859	S	S	*	*			trans	-162.8	132.1	157.4	-109	167.7	0	0	0	109.7
607	E	43.9	Very low	38.6	Very low	258 Å²	258	168.5 Å²	168.5	100%	1.206	87%	0.868	S	S	*	*			trans	54.9	0	-171.6	-58.7	-168.1	164	0	0	115.4

Retrieved 607 of 607 residues in 605.3 ms (Link to these results)

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