A0A087WWP8_HUMAN Loading...

Round spermatid basic protein 1

AlphaFold DB , UniProt , Accession A0A087WWP8, Species HUMAN (Homo sapiens, Human), Gene RSBN1, Length 754 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	30.7	Very low	249 Å²	249	142.5 Å²	142.5	100%	1.227	85%	0.851	S	S	*	*				0	170.4	0	-71.6	-173.7	-178.2	0	0	108.8
2	A	30.5	Very low	30.4	Very low	100 Å²	100	150.3 Å²	150.3	83%	0.826	85%	0.854	S	S	*	*			trans	-47	158.9	179.7	0	0	0	0	0	113.8
3	A	33.3	Very low	30.3	Very low	99 Å²	99	145.6 Å²	145.6	82%	0.818	85%	0.845	S	S	*	*			cis	-152.8	169.5	40.1	0	0	0	0	0	117.1
4	Q	32.8	Very low	30.4	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	85%	0.846	S	S	*	*			trans	-114.9	128.9	-174.4	177.5	-177.6	18.5	0	0	107.9
5	V	34.5	Very low	30.3	Very low	147 Å²	147	142.1 Å²	142.1	89%	0.891	84%	0.843	S	S	*	*			trans	-138.6	139.4	170.7	-174.4	0	0	0	0	108.4
6	G	29.3	Very low	30.4	Very low	65 Å²	65	139.3 Å²	139.3	67%	0.67	84%	0.84	S	S	*	*			trans	-141.9	-179.9	180	0	0	0	0	0	113.1
7	A	29.4	Very low	30.2	Very low	100 Å²	100	142.8 Å²	142.8	83%	0.826	85%	0.845	S	S	*	*			trans	68.9	153.7	-172.7	0	0	0	0	0	113.6
8	V	28.5	Very low	30.1	Very low	130 Å²	130	145.1 Å²	145.1	79%	0.788	85%	0.846	S	S	*	*			cis	-136.2	152.1	21.5	172.3	0	0	0	0	111.6	V10	V8-V10 HydrophobicContact CG1-CG2 4.37Å
9	R	29.4	Very low	30.3	Very low	232 Å²	232	146.2 Å²	146.2	88%	0.875	84%	0.843	S	S	*	*			trans	-96.5	126.2	174.8	-170.2	-175.2	-164.1	178	5.6	109.7
10	V	29.5	Very low	30.8	Very low	132 Å²	132	144.7 Å²	144.7	80%	0.8	84%	0.838	S	S	*	*			trans	-120.5	127.3	172.2	179.3	0	0	0	0	110.1	V8	V8-V10 HydrophobicContact CG1-CG2 4.37Å
11	V	28.8	Very low	30.8	Very low	122 Å²	122	144.8 Å²	144.8	74%	0.739	84%	0.836	S	S	*	*			trans	-102.2	138.7	174.9	175.8	0	0	0	0	108
12	R	27.4	Very low	30.8	Very low	236 Å²	236	141 Å²	141	89%	0.891	81%	0.813	S	S	*	*			trans	-135.8	115.5	165.3	-158.3	171.5	-173.7	170.2	1.3	110.4
13	A	29	Very low	30.8	Very low	89 Å²	89	144.1 Å²	144.1	74%	0.736	81%	0.81	S	S	*	*			trans	-90.2	156	170.3	0	0	0	0	0	110
14	V	31.2	Very low	30.5	Very low	141 Å²	141	142.7 Å²	142.7	86%	0.855	81%	0.805	S	S	*	*			trans	-134.6	132.6	163.9	-177.8	0	0	0	0	107.4
15	A	29.4	Very low	30.4	Very low	98 Å²	98	142.5 Å²	142.5	81%	0.81	80%	0.801	S	S	*	*			trans	-112.4	165.6	179.3	0	0	0	0	0	110.7
16	A	31.8	Very low	30.1	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	79%	0.794	S	S	*	*			trans	-82.6	169.7	-175.7	0	0	0	0	0	114.2
17	Q	26.5	Very low	30.1	Very low	199 Å²	199	149.3 Å²	149.3	93%	0.93	80%	0.803	S	S	*	*			trans	-141.9	160.9	156.8	-79.9	-153.9	-87.7	0	0	111.2
18	E	28.9	Very low	30.5	Very low	184 Å²	184	149.3 Å²	149.3	86%	0.86	79%	0.794	S	S	*	*			trans	-107.4	156.1	-167.1	-59.7	170.9	118.7	0	0	114
19	E	33.9	Very low	30.5	Very low	166 Å²	166	151.8 Å²	151.8	78%	0.776	80%	0.797	S	S	*	*			trans	25	151.1	135.5	-61	-59.3	141.7	0	0	122.6
20	P	41	Very low	30.5	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	79%	0.793	S	S	*	*				-149.9	134.2	91.7	36.1	-16.8	0	0	0	119.4
21	D	30.8	Very low	30.4	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	79%	0.794	S	S	*	*			trans	36	135.8	133	-75.4	-37.5	0	0	0	124.6
22	K	31.4	Very low	30.4	Very low	171 Å²	171	144.1 Å²	144.1	74%	0.743	80%	0.802	S	S	*	*				179.4	136.5	104.1	-98.2	175.4	172.4	-99.9	0	117.4
23	E	29.4	Very low	30.7	Very low	165 Å²	165	137.8 Å²	137.8	77%	0.771	79%	0.793	S	S	*	*			trans	33.5	141.9	140.3	-56.6	174.4	101.2	0	0	122.3
24	G	28.5	Very low	30.9	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	80%	0.799	S	S	*	*			cis	165.9	171.6	-2.9	0	0	0	0	0	114.4
25	K	29.2	Very low	30.8	Very low	187 Å²	187	144.9 Å²	144.9	81%	0.813	80%	0.803	S	S	*	*			trans	71.3	151.4	172	-66.5	-180	163.1	-133.8	0	118.5
26	E	28	Very low	30.7	Very low	160 Å²	160	143.7 Å²	143.7	75%	0.748	80%	0.801	S	S	*	*			cis	-149.2	-175.2	1.4	-131.5	159	-142.4	0	0	113.8
27	K	30.3	Very low	30.5	Very low	195 Å²	195	146.1 Å²	146.1	85%	0.848	81%	0.805	S	S	*	*			trans	-89.6	-178.7	-167.2	-90.9	179.6	-178.2	175.7	0	114.2
28	P	38.1	Very low	30.7	Very low	101 Å²	101	146 Å²	146	66%	0.656	80%	0.802	S	S	*	*			cis	-155	177.5	28.9	45.6	-23.5	0	0	0	122.2
29	H	28.8	Very low	30.7	Very low	182 Å²	182	149 Å²	149	84%	0.843	81%	0.805	S	S	*	*			trans	47.2	156.7	148.7	-66.2	-50.6	0	0	0	122.9
30	A	28.8	Very low	30.4	Very low	96 Å²	96	149.9 Å²	149.9	79%	0.793	81%	0.809	S	S	*	*			cis	-172.9	160.4	-24.7	0	0	0	0	0	108.8
31	G	27.5	Very low	29.9	Very low	79 Å²	79	156.1 Å²	156.1	81%	0.814	82%	0.818	S	S	*	*			trans	163.4	135.4	168.1	0	0	0	0	0	116.8
32	V	28.4	Very low	29.8	Very low	149 Å²	149	161.1 Å²	161.1	90%	0.903	83%	0.826	S	S	*	*			trans	-128.4	156.8	-176.1	169.8	0	0	0	0	111.4
33	S	34.1	Very low	29.6	Very low	103 Å²	103	158.8 Å²	158.8	72%	0.72	83%	0.83	S	S	*	*			trans	-55.8	170.5	-177.7	-45.2	0	0	0	0	117.4
34	P	33.8	Very low	29.6	Very low	131 Å²	131	157 Å²	157	85%	0.851	84%	0.836	S	S	*	*				-128.8	177.8	128.5	36.9	-28.1	0	0	0	115.2
35	R	27.9	Very low	29.7	Very low	248 Å²	248	159.7 Å²	159.7	94%	0.936	84%	0.844	S	S	*	*			trans	-121.1	160.7	-173	-67.9	176.3	170.4	-178.1	-1.4	112.9
36	G	27.4	Very low	29.6	Very low	74 Å²	74	154.9 Å²	154.9	76%	0.763	85%	0.848	S	S	*	*			trans	101	157.2	156.2	0	0	0	0	0	115.2
37	V	28.4	Very low	29.5	Very low	147 Å²	147	151.2 Å²	151.2	89%	0.891	85%	0.853	S	S	*	*			cis	-149.2	163.6	15.1	172.3	0	0	0	0	112.1
38	K	29.2	Very low	29.4	Very low	196 Å²	196	147.5 Å²	147.5	85%	0.852	85%	0.852	S	S	*	*			trans	-61	153.3	176.8	-61.8	165.8	172.8	172.3	0	116.4
39	R	29.1	Very low	29.1	Very low	246 Å²	246	151.7 Å²	151.7	93%	0.928	86%	0.863	S	S	*	*			trans	-150.2	113	140.3	-92.9	178.3	165.3	-174.1	-4.5	106.4
40	Q	28.8	Very low	29.1	Very low	186 Å²	186	151.4 Å²	151.4	87%	0.869	86%	0.861	S	S	*	*				72.6	101.9	57	-155	170.3	12.9	0	0	113.6
41	R	29.8	Very low	29.2	Very low	248 Å²	248	156.4 Å²	156.4	94%	0.936	87%	0.865	S	S	*	*			trans	-65.7	146.4	175.3	-75.3	176.3	164.5	177.4	-7.3	111.1
42	R	28.4	Very low	29.3	Very low	251 Å²	251	164.2 Å²	164.2	95%	0.947	87%	0.87	S	S	*	*			trans	-108.1	140.3	159.9	-79.9	-172.9	170.9	-166.4	-3.2	110.1
43	S	28	Very low	29.3	Very low	121 Å²	121	160.9 Å²	160.9	85%	0.846	87%	0.866	S	S	*	*			trans	-96.2	148.7	167.9	47.9	0	0	0	0	110
44	S	29.7	Very low	29.2	Very low	128 Å²	128	167 Å²	167	90%	0.895	87%	0.873	S	S	*	*			trans	-129.8	141.7	162	49.2	0	0	0	0	109.8
45	S	29.1	Very low	29.5	Very low	125 Å²	125	166.3 Å²	166.3	87%	0.874	87%	0.869	S	S	*	*			trans	-117.1	150.5	-171.7	50.5	0	0	0	0	111
46	G	27.1	Very low	29.6	Very low	86 Å²	86	159.1 Å²	159.1	89%	0.887	86%	0.856	S	S	*	*			trans	157.7	120.2	162.2	0	0	0	0	0	113.7
47	G	26.2	Very low	29.7	Very low	83 Å²	83	165.1 Å²	165.1	86%	0.856	86%	0.864	S	S	*	*			trans	149.8	82.8	174.3	0	0	0	0	0	114.9
48	S	29.4	Very low	30	Very low	118 Å²	118	167.1 Å²	167.1	83%	0.825	86%	0.864	S	S	*	*			trans	-112.5	154.8	160.8	-52.1	0	0	0	0	106.4
49	Q	30.8	Very low	30.6	Very low	189 Å²	189	163 Å²	163	88%	0.883	86%	0.857	S	S	*	*			cis	-138.5	-179.3	20.4	-63	169	-76.2	0	0	107.6
50	E	28.6	Very low	31.1	Very low	175 Å²	175	157.4 Å²	157.4	82%	0.818	85%	0.853	S	S	*	*				-166.2	163.6	56.7	-151.3	-174.5	162.3	0	0	111.6
51	K	32.3	Very low	31.2	Very low	201 Å²	201	156.9 Å²	156.9	87%	0.874	86%	0.855	S	S	*	*			trans	-120.7	127.2	-176.3	-71.7	179.4	177.2	177.1	0	112.9
52	R	29.6	Very low	31.4	Very low	244 Å²	244	149.5 Å²	149.5	92%	0.921	85%	0.848	S	S	*	*			trans	-156	150.6	146.2	-62.5	-172	-171.5	-156.7	0.3	106.7
53	G	27.1	Very low	31.9	Very low	79 Å²	79	143.3 Å²	143.3	81%	0.814	84%	0.84	S	S	*	*			cis	165.4	116.2	-4.6	0	0	0	0	0	107.9
54	R	32.3	Very low	32.4	Very low	231 Å²	231	143.6 Å²	143.6	87%	0.872	84%	0.839	S	S	*	*			trans	-80.6	154.9	179.9	-101.6	-170.2	-174.4	-164.5	3.6	111.6
55	P	40.2	Very low	32.4	Very low	116 Å²	116	146.8 Å²	146.8	75%	0.753	84%	0.839	S	S	*	*				-136.9	137.6	91.9	17.1	5.3	0	0	0	113.2
56	S	30.1	Very low	32.5	Very low	97 Å²	97	152.9 Å²	152.9	68%	0.678	84%	0.843	S	S	*	*				66.8	110.7	84.4	-59.2	0	0	0	0	115.7
57	Q	29.6	Very low	32.6	Very low	200 Å²	200	159.9 Å²	159.9	94%	0.935	84%	0.842	S	S	*	*			trans	-139.7	138.7	149.5	-74	-164.1	-4.4	0	0	109.7
58	E	35.6	Very low	32.7	Very low	189 Å²	189	167.2 Å²	167.2	88%	0.883	84%	0.844	S	S	*	*			trans	-110.2	164.5	172.8	-106.1	-169.6	154.4	0	0	110.1
59	P	40.1	Very low	32.7	Very low	109 Å²	109	173.7 Å²	173.7	71%	0.708	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-84	156.3	-163.8	34.1	-36.8	0	0	0	114.3
60	P	39.4	Very low	32.8	Very low	129 Å²	129	169.9 Å²	169.9	84%	0.838	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-77	156.3	177.3	31	-34.2	0	0	0	114.1
61	L	32.7	Very low	32.9	Very low	175 Å²	175	172.8 Å²	172.8	92%	0.916	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-81.7	164.1	-166.3	-69.6	142.4	0	0	0	115.1
62	A	32.7	Very low	32.8	Very low	94 Å²	94	172 Å²	172	78%	0.777	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-80.9	149.9	174.7	0	0	0	0	0	113.7
63	P	40.1	Very low	33.1	Very low	121 Å²	121	169.2 Å²	169.2	79%	0.786	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-85.4	165.7	170.8	34.3	-33	0	0	0	113.1
64	P	38.5	Very low	33.4	Very low	126 Å²	126	171.1 Å²	171.1	82%	0.818	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-96.2	166.3	-147.1	36	-38.1	0	0	0	117.2	R66	P64-R66 PolarHBondContact O-N 3.03Å
65	H	29.6	Very low	33.4	Very low	196 Å²	196	163.1 Å²	163.1	91%	0.907	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-51.2	131.3	169.6	-78.6	-74.5	0	0	0	113.8
66	R	30.7	Very low	33.4	Very low	252 Å²	252	163.8 Å²	163.8	95%	0.951	84%	0.837	S	S	*	*			trans	-105.1	129.9	159	-139	177.7	-171.1	-161.9	3	110.3	P64	P64-R66 PolarHBondContact O-N 3.03Å
67	R	30	Very low	33.5	Very low	233 Å²	233	167.1 Å²	167.1	88%	0.879	85%	0.846	S	S	*	*			trans	-74.2	147.8	-176.3	-79.9	178.7	164.4	-173.6	-3.5	113.1
68	R	28.3	Very low	33.8	Very low	237 Å²	237	163.2 Å²	163.2	89%	0.894	84%	0.838	S	S	*	*			trans	46.6	126.9	147.3	-75.8	-177.1	164.9	-171.8	-4.8	118.7
69	R	29	Very low	34.4	Very low	254 Å²	254	159.8 Å²	159.8	96%	0.958	83%	0.832	S	S	*	*				-157.1	139.9	103.2	-106.7	170	-172.7	-159.7	1.3	112.2
70	S	32.2	Very low	34	Very low	110 Å²	110	161.4 Å²	161.4	77%	0.769	84%	0.84	S	S	*	*			trans	-97.9	139.7	177.8	49.1	0	0	0	0	111.3
71	R	31.5	Very low	33.7	Very low	236 Å²	236	163.2 Å²	163.2	89%	0.891	84%	0.843	S	S	*	*			trans	-163.8	99.2	155.8	-102.8	166.6	-176.9	-167.9	-2.5	105.7
72	Q	30.2	Very low	33.7	Very low	183 Å²	183	159.7 Å²	159.7	86%	0.855	84%	0.839	S	S	*	*				62.5	116.9	87.2	-76.2	-172.7	-18.2	0	0	113.6
73	H	34.8	Very low	33.7	Very low	186 Å²	186	159.9 Å²	159.9	86%	0.861	84%	0.84	S	S	*	*			trans	-72.1	153.6	172.2	-67	-86.4	0	0	0	112
74	P	34.7	Very low	33.5	Very low	119 Å²	119	159.6 Å²	159.6	77%	0.773	84%	0.839	S	S	*	*				-99.8	149.9	120	32.7	-26.5	0	0	0	108.9
75	G	32.2	Very low	33.4	Very low	63 Å²	63	160.4 Å²	160.4	65%	0.649	84%	0.842	S	S	*	*			cis	110.4	103.4	27.8	0	0	0	0	0	107.2
76	P	38.9	Very low	33.9	Very low	130 Å²	130	157.1 Å²	157.1	84%	0.844	84%	0.835	S	S	*	*			trans	-83.5	150.8	-167.9	33.3	-35.1	0	0	0	112.5
77	L	32.9	Very low	34.3	Very low	168 Å²	168	150.6 Å²	150.6	88%	0.88	83%	0.825	S	S	*	*			trans	-120.5	151.5	166.4	-74.9	175	0	0	0	110.9
78	P	35.9	Very low	34.8	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	81%	0.812	S	S	*	*			trans	-114.9	-155.5	-161	49.7	-36.4	0	0	0	110.3
79	P	47.4	Very low	35.4	Very low	116 Å²	116	137.4 Å²	137.4	75%	0.753	81%	0.811	S	S	*	*			trans	-109.8	159.3	-130.3	35.9	-18	0	0	0	114.9
80	T	32.1	Very low	36	Very low	143 Å²	143	131.9 Å²	131.9	88%	0.877	81%	0.805	S	S	*	*			trans	-137.1	133.2	165.2	42.3	0	0	0	0	112.1
81	N	33.6	Very low	36.4	Very low	168 Å²	168	134.9 Å²	134.9	90%	0.898	81%	0.807	S	S	*	*			trans	-79.6	140	177.9	-62.1	-50.8	0	0	0	111.2
82	A	32.3	Very low	36.8	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	80%	0.803	S	S	*	*			trans	-168.8	119.3	139.7	0	0	0	0	0	109.1
83	A	32.8	Very low	37.1	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-103.6	132.6	171.6	0	0	0	0	0	109.8
84	P	36.2	Very low	37.4	Very low	116 Å²	116	128.2 Å²	128.2	75%	0.753	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-96.3	129.7	153	31.1	-22.8	0	0	0	109.7	V86	P84-V86 PolarHBondContact O-N 3.21Å
85	T	36.5	Very low	38.1	Very low	143 Å²	143	130.1 Å²	130.1	88%	0.877	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.3	125.5	179.3	-47.8	0	0	0	0	111.2
86	V	38.9	Very low	39	Very low	127 Å²	127	132.4 Å²	132.4	77%	0.77	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-99.3	130.4	168.5	-179	0	0	0	0	108.1	P84	P84-V86 PolarHBondContact O-N 3.21Å
87	P	39.9	Very low	39.6	Very low	115 Å²	115	131.8 Å²	131.8	75%	0.747	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.6	142.7	178	27.3	-32.7	0	0	0	111.1
88	G	40.2	Very low	40.4	Very low	58 Å²	58	129.4 Å²	129.4	60%	0.598	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.2	164.3	176.3	0	0	0	0	0	112.9	V90	G88-V90 PolarHBondContact O-N 3.35Å
89	P	42.1	Very low	41.3	Very low	135 Å²	135	129.3 Å²	129.3	88%	0.877	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65	134.7	177.6	28.6	-34.2	0	0	0	110.8
90	V	41.1	Very low	41.5	Very low	137 Å²	137	129.2 Å²	129.2	83%	0.83	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81.2	130.6	175.4	-172.4	0	0	0	0	108.7	G88	G88-V90 PolarHBondContact O-N 3.35Å
91	E	41	Very low	42.2	Very low	173 Å²	173	128.7 Å²	128.7	81%	0.808	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-64.6	136.7	171.6	-76.1	-170.7	130.9	0	0	111	L93	E91-L93 PolarHBondContact O-N 3.44Å
92	P	40.2	Very low	42.4	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	80%	0.797	S	S	*	*			trans	-69.3	115.5	167.8	-15.2	30	0	0	0	110.2	L94	P92-L94 PolarHBondContact O-N 3.22Å
93	L	36.5	Very low	43	Very low	168 Å²	168	129.8 Å²	129.8	88%	0.88	80%	0.801	S	S	*	*			trans	-65.6	115.9	169.6	-75.7	167.8	0	0	0	109.8	E91 L95	E91-L93 PolarHBondContact O-N 3.44Å; L93-L95 PolarHBondContact O-N 3.29Å
94	L	40.2	Very low	43.1	Very low	175 Å²	175	129.4 Å²	129.4	92%	0.916	80%	0.798	S	S	*	*			trans	-68.6	115.3	171.7	-71.2	167.2	0	0	0	109.9	P92	P92-L94 PolarHBondContact O-N 3.22Å
95	L	48.3	Very low	43.5	Very low	159 Å²	159	130.3 Å²	130.3	83%	0.832	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-76.6	138.6	167.2	-72.9	169.2	0	0	0	109.9	L93	L93-L95 PolarHBondContact O-N 3.29Å
96	P	51.4	Low	43.4	Very low	110 Å²	110	128.6 Å²	128.6	71%	0.714	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.6	152.3	176	30.5	-34.6	0	0	0	111.5
97	P	52.2	Low	43.2	Very low	117 Å²	117	126 Å²	126	76%	0.76	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.3	152.7	178.7	29.4	-35.5	0	0	0	112.1
98	P	50.6	Low	43.3	Very low	119 Å²	119	126.4 Å²	126.4	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-68	148.5	177.6	29.1	-34.9	0	0	0	111.9
99	P	54.9	Low	43	Very low	115 Å²	115	128.4 Å²	128.4	75%	0.747	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.5	153.7	179.1	31.1	-35.4	0	0	0	112.2
100	P	51.3	Low	42.6	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.2	151.1	174.6	29.9	-35.3	0	0	0	111.6	S102	P100-S102 PolarHBondContact O-N 2.91Å
101	P	46.3	Very low	42.4	Very low	132 Å²	132	127 Å²	127	86%	0.857	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.6	125.2	-179.7	26.2	-33.5	0	0	0	111.5
102	S	38.3	Very low	42.1	Very low	118 Å²	118	123.3 Å²	123.3	83%	0.825	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.9	127.3	176.6	-172.7	0	0	0	0	110.9	P100	P100-S102 PolarHBondContact O-N 2.91Å
103	L	44.9	Very low	41.9	Very low	174 Å²	174	123.4 Å²	123.4	91%	0.911	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-69.1	130.9	169.8	-76.8	156.7	0	0	0	110.3
104	A	34.9	Very low	42	Very low	90 Å²	90	123.4 Å²	123.4	74%	0.744	82%	0.815	S	S	*	*			trans	-127.1	153.3	170.6	0	0	0	0	0	109.8
105	P	43.6	Very low	41.9	Very low	134 Å²	134	121 Å²	121	87%	0.87	81%	0.81	S	S	*	*			trans	-93.1	149.9	-147.6	34.7	-36.4	0	0	0	114.7
106	A	35.7	Very low	41.4	Very low	108 Å²	108	117.7 Å²	117.7	89%	0.893	81%	0.806	S	S	*	*			trans	-136.3	135.6	162.1	0	0	0	0	0	110.5
107	G	33.4	Very low	41	Very low	71 Å²	71	118.4 Å²	118.4	73%	0.732	81%	0.81	S	S	*	*			trans	-150.8	-174	158.1	0	0	0	0	0	107.9
108	P	42.6	Very low	40	Very low	125 Å²	125	118.9 Å²	118.9	81%	0.812	82%	0.816	S	S	*	*			cis	-122.7	173.2	-19	39.2	-26.4	0	0	0	112.8
109	A	33.6	Very low	39.2	Very low	99 Å²	99	119 Å²	119	82%	0.818	82%	0.815	S	S	*	*			trans	66.7	152.3	171.1	0	0	0	0	0	115.6
110	V	34.5	Very low	38.3	Very low	143 Å²	143	118.7 Å²	118.7	87%	0.867	82%	0.815	S	S	*	*			cis	-131.8	147.9	25.4	176.6	0	0	0	0	111.3
111	A	35.6	Very low	37.3	Very low	99 Å²	99	118.1 Å²	118.1	82%	0.818	82%	0.821	S	S	*	*			trans	-106.1	137.9	179.3	0	0	0	0	0	112.9
112	A	35	Very low	36.8	Very low	96 Å²	96	119.3 Å²	119.3	79%	0.793	82%	0.819	S	S	*	*			trans	-150	153	163.3	0	0	0	0	0	108.8
113	P	37.3	Very low	36.3	Very low	126 Å²	126	123 Å²	123	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-103.2	150.5	-136.1	36	-35.1	0	0	0	116.7
114	L	38.2	Very low	35.5	Very low	167 Å²	167	120.5 Å²	120.5	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87.4	148.5	160.6	-71.5	168	0	0	0	110.4
115	P	38.2	Very low	35.4	Very low	125 Å²	125	126.4 Å²	126.4	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.7	138	178.6	29.7	-33.9	0	0	0	112.3
116	A	36.7	Very low	34.8	Very low	90 Å²	90	125 Å²	125	74%	0.744	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-88.7	155.8	176.3	0	0	0	0	0	112
117	P	42.5	Very low	35.1	Very low	125 Å²	125	125.6 Å²	125.6	81%	0.812	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.7	139.3	179.7	30.8	-35.2	0	0	0	112.3
118	S	32.5	Very low	34.8	Very low	126 Å²	126	130.5 Å²	130.5	88%	0.881	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-87.8	150.6	173	53.4	0	0	0	0	112.4
119	T	33.5	Very low	34.3	Very low	123 Å²	123	130.7 Å²	130.7	76%	0.755	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-102.2	144	-158.3	50.2	0	0	0	0	114.8
120	S	34.8	Very low	34	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	82%	0.817	S	S	*	*			trans	34.2	126.5	142.8	65.2	0	0	0	0	121.1
121	A	31.5	Very low	33.7	Very low	103 Å²	103	130.8 Å²	130.8	85%	0.851	81%	0.812	S	S	*	*			trans	-121.6	125.6	144.4	0	0	0	0	0	109.5
122	L	34.7	Very low	33.4	Very low	156 Å²	156	131.1 Å²	131.1	82%	0.817	82%	0.816	S	S	*	*			trans	-86	137.2	174.4	-78.4	154.1	0	0	0	109.7
123	F	29.5	Very low	33.1	Very low	197 Å²	197	131.5 Å²	131.5	86%	0.864	82%	0.819	S	S	*	*			trans	-135.7	141.4	149.6	-95.9	-75.8	0	0	0	111.3
124	T	27.9	Very low	32.7	Very low	121 Å²	121	128.8 Å²	128.8	74%	0.742	81%	0.814	S	S	*	*			trans	-85.4	137.1	-167.6	46.8	0	0	0	0	112.8
125	F	32.8	Very low	32.6	Very low	214 Å²	214	127 Å²	127	94%	0.939	81%	0.812	S	S	*	*			trans	-95.5	112.9	157.8	-79.7	-82.9	0	0	0	110
126	S	30.9	Very low	32	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	82%	0.817	S	S	*	*			trans	-95.1	145.2	164.5	-74.5	0	0	0	0	109.9
127	P	41	Very low	31.7	Very low	121 Å²	121	135.3 Å²	135.3	79%	0.786	82%	0.821	S	S	*	*			trans	-84.1	142.9	-172.2	33.5	-34.9	0	0	0	112.3
128	L	27.8	Very low	31	Very low	173 Å²	173	139.4 Å²	139.4	91%	0.906	83%	0.826	S	S	*	*			trans	-130.4	141.1	162.6	-79.5	173	0	0	0	110.9
129	T	31.4	Very low	30.7	Very low	130 Å²	130	137.1 Å²	137.1	80%	0.798	82%	0.822	S	S	*	*			trans	-92.5	-165.9	-172	41.2	0	0	0	0	112
130	V	28.1	Very low	30.5	Very low	133 Å²	133	139.7 Å²	139.7	81%	0.806	83%	0.825	S	S	*	*			trans	92.6	125.7	175	-176.4	0	0	0	0	113.3
131	S	27.3	Very low	30.1	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	83%	0.83	S	S	*	*			cis	-158.3	158.2	-12	-107.5	0	0	0	0	111.3
132	A	29.1	Very low	29.8	Very low	107 Å²	107	145.1 Å²	145.1	88%	0.884	82%	0.818	S	S	*	*			trans	-80.1	136.2	170.9	0	0	0	0	0	112
133	A	29.7	Very low	29.3	Very low	104 Å²	104	146.4 Å²	146.4	86%	0.86	81%	0.812	S	S	*	*			trans	-137	124.8	163.1	0	0	0	0	0	108.9
134	G	29.8	Very low	29.2	Very low	69 Å²	69	143.9 Å²	143.9	71%	0.711	80%	0.803	S	S	*	*			trans	-83.9	171	-167.1	0	0	0	0	0	115.6
135	P	34.6	Very low	29.5	Very low	130 Å²	130	147.1 Å²	147.1	84%	0.844	81%	0.807	S	S	*	*			trans	-75.1	144.9	-178.1	31.9	-35.2	0	0	0	112
136	K	27.1	Very low	29.3	Very low	210 Å²	210	145.4 Å²	145.4	91%	0.913	80%	0.801	S	S	*	*			trans	-130	133.6	167.2	-78.2	-172.7	176.3	176.2	0	112.1
137	H	29.2	Very low	29.1	Very low	179 Å²	179	148.6 Å²	148.6	83%	0.829	80%	0.804	S	S	*	*			trans	-80.9	168.4	-175.6	-77.4	-97.8	0	0	0	114.3
138	K	27.4	Very low	28.6	Very low	210 Å²	210	149.7 Å²	149.7	91%	0.913	80%	0.799	S	S	*	*			trans	112.1	143.9	146.8	-61.7	-177.5	-178.6	175.6	0	113.9
139	G	26.2	Very low	28.7	Very low	78 Å²	78	149.3 Å²	149.3	80%	0.804	79%	0.792	S	S	*	*			cis	-155.2	167.5	13.7	0	0	0	0	0	116.5
140	H	30	Very low	28.5	Very low	178 Å²	178	155 Å²	155	82%	0.824	80%	0.799	S	S	*	*			trans	-119.5	131.9	176.3	-177.2	-70.6	0	0	0	108.2
141	K	25.8	Very low	28.4	Very low	195 Å²	195	152 Å²	152	85%	0.848	79%	0.794	S	S	*	*			trans	-163.7	110.3	166.3	-103.4	-179.5	177.4	-176.6	0	105.8
142	E	24.9	Very low	29.4	Very low	129 Å²	129	152 Å²	152	60%	0.603	79%	0.792	S	S	*	*				73.1	131.1	57.9	-148.9	-141.5	159.1	0	0	113.6
143	R	25	Very low	29.5	Very low	183 Å²	183	154.5 Å²	154.5	69%	0.691	79%	0.79	S	S	*	*			trans	76.7	149.8	168	-69.9	165	-179	-128.9	-10.4	117.4
144	H	27.2	Very low	29.5	Very low	143 Å²	143	153 Å²	153	66%	0.662	79%	0.785	S	S	*	*			cis	-150.9	163.8	5.7	-123.1	-38.9	0	0	0	112.8
145	K	34.9	Very low	29.5	Very low	189 Å²	189	157.9 Å²	157.9	82%	0.822	80%	0.795	S	S	*	*			trans	-81.4	152.9	166.2	-73.9	177.5	173	178.1	0	110.7
146	H	27.3	Very low	30.3	Very low	178 Å²	178	156.7 Å²	156.7	82%	0.824	79%	0.787	S	S	*	*			trans	-135.2	161.4	154.3	-92.6	-80	0	0	0	112.7
147	H	27.9	Very low	30.3	Very low	171 Å²	171	152.2 Å²	152.2	79%	0.792	78%	0.782	S	S	*	*			trans	-110.1	-172.4	-155.6	-109.5	-37.3	0	0	0	113.9
148	H	30.4	Very low	30.2	Very low	145 Å²	145	148.7 Å²	148.7	67%	0.671	78%	0.777	S	S	*	*			trans	108.1	141	157.6	-52.4	-60.6	0	0	0	114.7
149	H	28.8	Very low	30.1	Very low	164 Å²	164	144.9 Å²	144.9	76%	0.759	78%	0.776	S	S	*	*			cis	-169.4	140.2	-17.5	-110.6	-41.2	0	0	0	109.4
150	R	27.1	Very low	30.1	Very low	251 Å²	251	143.7 Å²	143.7	95%	0.947	76%	0.764	S	S	*	*			trans	171.5	139.7	133.4	-100.4	178.6	171.6	-173.2	-3.4	111.7
151	G	27.8	Very low	30	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	76%	0.761	S	S	*	*			trans	-109.5	-144.5	164.9	0	0	0	0	0	109.9
152	P	47.8	Very low	30.2	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	75%	0.752	S	S	*	*			cis	-134.9	-149.4	-2.7	35.5	-11.6	0	0	0	113.2
153	D	31.4	Very low	30.6	Very low	159 Å²	159	137.2 Å²	137.2	85%	0.85	75%	0.753	S	S	*	*			trans	80.9	136.3	166.3	-46.3	-32	0	0	0	118.3
154	G	28.5	Very low	30.8	Very low	73 Å²	73	136.1 Å²	136.1	75%	0.753	75%	0.753	S	S	*	*			cis	-177.7	137.2	-8.7	0	0	0	0	0	114.3
155	D	31.5	Very low	31.2	Very low	171 Å²	171	136 Å²	136	91%	0.914	75%	0.752	S	S	*	*			trans	51.5	159.8	153.7	-95.4	16.9	0	0	0	126.1
156	P	50.5	Low	31	Very low	106 Å²	106	133.9 Å²	133.9	69%	0.688	74%	0.743	S	S	*	*			trans	-121.5	177.9	-161.6	45	-33.5	0	0	0	115.4
157	S	27.5	Very low	31.3	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	73%	0.733	S	S	*	*			trans	157.6	161.3	152	49.7	0	0	0	0	109.8
158	S	27.2	Very low	31.4	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	73%	0.725	S	S	*	*			cis	-170	173.4	-27.2	59.6	0	0	0	0	108.1
159	C	24.9	Very low	31.4	Very low	130 Å²	130	130.4 Å²	130.4	88%	0.878	73%	0.729	S	S	*	*			trans	67.7	132.5	165.3	-168.4	0	0	0	0	116.6
160	G	27.1	Very low	31.3	Very low	54 Å²	54	129.1 Å²	129.1	56%	0.557	72%	0.724	S	S	*	*			cis	173.7	162.4	-3.7	0	0	0	0	0	110.6
161	T	27.3	Very low	31.5	Very low	123 Å²	123	124.3 Å²	124.3	76%	0.755	72%	0.717	S	S	*	*			trans	47.4	143.4	150.3	54.2	0	0	0	0	120.8
162	D	29.7	Very low	31.5	Very low	125 Å²	125	124.4 Å²	124.4	67%	0.668	72%	0.718	S	S	*	*			cis	-161.8	154.5	-2.2	-113	-22.5	0	0	0	112.6
163	L	32.9	Very low	30.6	Very low	117 Å²	117	127.8 Å²	127.8	61%	0.613	72%	0.724	S	S	*	*			trans	49.3	113.7	140.5	-54.9	169.2	0	0	0	120.9
164	K	30.3	Very low	30.5	Very low	161 Å²	161	131.3 Å²	131.3	70%	0.7	73%	0.725	S	S	*	*				87.9	147.5	101.4	-72.3	-167.6	173.8	164.7	0	114.8
165	H	34.9	Very low	30.4	Very low	139 Å²	139	134.4 Å²	134.4	64%	0.644	73%	0.73	S	S	*	*			cis	-159.6	158.9	-1.3	-126.6	-163.8	0	0	0	111.2
166	K	30.1	Very low	30.1	Very low	146 Å²	146	130.1 Å²	130.1	64%	0.635	73%	0.727	S	S	*	*				32.3	154.8	127.6	-68.1	-179.7	106.8	-115.8	0	120.5
167	D	33.2	Very low	28.9	Very low	113 Å²	113	128.9 Å²	128.9	60%	0.604	73%	0.733	S	S	*	*			cis	-161	-177.7	10.7	-111.4	-2.6	0	0	0	106.1
168	K	31.6	Very low	29	Very low	146 Å²	146	130.3 Å²	130.3	64%	0.635	74%	0.736	S	S	*	*			cis	-175.7	176.9	-30.9	-173.8	-171	169.2	-158.9	0	105.6
169	Q	29.4	Very low	30.3	Very low	161 Å²	161	130.5 Å²	130.5	75%	0.752	74%	0.735	S	S	*	*			trans	85.6	123.1	146.1	-143.8	163.4	-8.8	0	0	115.1
170	E	27.5	Very low	30.4	Very low	137 Å²	137	131.9 Å²	131.9	64%	0.64	73%	0.733	S	S	*	*			cis	115.3	137.3	10.8	-171.1	-175.1	-173.8	0	0	112.8
171	N	30.1	Very low	30.6	Very low	150 Å²	150	135.8 Å²	135.8	80%	0.802	74%	0.74	S	S	*	*			trans	71.5	151	174.4	-69.6	-29.7	0	0	0	118.2
172	G	28	Very low	30.6	Very low	71 Å²	71	139.5 Å²	139.5	73%	0.732	75%	0.745	S	S	*	*			cis	-168.2	-179.2	2.1	0	0	0	0	0	113.7
173	E	28.6	Very low	30.5	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	75%	0.75	S	S	*	*			trans	-71.8	152.3	-171.7	-51.4	165.1	105.5	0	0	115
174	R	29	Very low	30.9	Very low	233 Å²	233	137.3 Å²	137.3	88%	0.879	75%	0.753	S	S	*	*				177.7	157.1	103	-97.4	-175	-179.2	-166.6	-0.6	116.1
175	T	26.8	Very low	30.8	Very low	138 Å²	138	138.6 Å²	138.6	85%	0.847	76%	0.758	S	S	*	*			trans	-61.9	147.9	-175.2	-3.2	0	0	0	0	117.9
176	G	26.6	Very low	30.5	Very low	82 Å²	82	143.1 Å²	143.1	85%	0.845	77%	0.77	S	S	*	*				97.8	124.1	125.1	0	0	0	0	0	120
177	G	25.2	Very low	30.6	Very low	79 Å²	79	145.1 Å²	145.1	81%	0.814	78%	0.781	S	S	*	*			trans	154.7	124.8	164.5	0	0	0	0	0	114.2
178	V	29.5	Very low	30.7	Very low	145 Å²	145	146.3 Å²	146.3	88%	0.879	79%	0.793	S	S	*	*			trans	-117.4	-178.1	178.6	-136.5	0	0	0	0	109.8
179	P	53	Low	31	Very low	110 Å²	110	144.8 Å²	144.8	71%	0.714	80%	0.798	S	S	*	*				-119.4	160.7	-117	40.4	-24.5	0	0	0	115.7
180	L	28.3	Very low	31.2	Very low	159 Å²	159	144.8 Å²	144.8	83%	0.832	80%	0.803	S	S	*	*			trans	-156.2	116.5	154.1	-145.8	71.4	0	0	0	117.9
181	I	29.9	Very low	31.4	Very low	136 Å²	136	147.5 Å²	147.5	70%	0.697	82%	0.816	S	S	*	*			trans	5.3	123.4	139.5	-25.6	171.6	0	0	0	119.2
182	K	27.1	Very low	31.5	Very low	200 Å²	200	148 Å²	148	87%	0.87	82%	0.818	S	S	*	*				172.2	150.4	107.7	-89.6	174.3	-174.1	174	0	113.4
183	A	28.8	Very low	31.8	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	81%	0.813	S	S	*	*			trans	-95.6	-158.4	-179.2	0	0	0	0	0	110.5
184	P	40.8	Very low	32	Very low	104 Å²	104	149 Å²	149	68%	0.675	82%	0.817	S	S	*	*			cis	-141.5	-166.1	-7.7	41	-20.3	0	0	0	115.6
185	K	27.6	Very low	32.2	Very low	188 Å²	188	144.5 Å²	144.5	82%	0.817	82%	0.816	S	S	*	*			trans	77.1	148.2	163.9	-68.4	170.5	179.5	175.9	0	115.6
186	R	28.7	Very low	32.7	Very low	235 Å²	235	145.8 Å²	145.8	89%	0.887	81%	0.812	S	S	*	*			cis	-153.8	147.7	23.8	-138.2	164.4	-169.8	168.5	-0.3	111
187	E	33.7	Very low	33.4	Very low	188 Å²	188	151.1 Å²	151.1	88%	0.879	81%	0.807	S	S	*	*			trans	-106.8	153.2	171.2	-62.9	173.8	146.1	0	0	111.1
188	T	34.4	Very low	34.5	Very low	137 Å²	137	151.4 Å²	151.4	84%	0.84	80%	0.801	S	S	*	*			trans	-173.2	155.3	159.3	48	0	0	0	0	109.1
189	P	37.3	Very low	35.3	Very low	114 Å²	114	149.1 Å²	149.1	74%	0.74	78%	0.784	S	S	*	*				-137.2	159.6	-58.7	37.2	-18.7	0	0	0	115.2
190	D	33.6	Very low	34.9	Very low	161 Å²	161	147.7 Å²	147.7	86%	0.861	77%	0.771	S	S	*	*			trans	4.5	141.4	155.5	-50	-16.4	0	0	0	123.3
191	E	31.7	Very low	35.8	Very low	195 Å²	195	147.8 Å²	147.8	91%	0.911	77%	0.765	S	S	*	*	S	Bend		-140.1	151.4	125.3	-141.8	-163.4	165.4	0	0	112.6
192	N	32.9	Very low	36.9	Very low	160 Å²	160	145.3 Å²	145.3	86%	0.856	76%	0.755	S	S	*	*	S	Bend	trans	67.4	73.3	177.2	-150.8	11	0	0	0	117.4
193	G	34.5	Very low	38.2	Very low	61 Å²	61	141.4 Å²	141.4	63%	0.629	74%	0.743	S	S	*	*			trans	-84.5	141.8	-177.9	0	0	0	0	0	116.2
194	K	32.3	Very low	39.2	Very low	212 Å²	212	143.7 Å²	143.7	92%	0.922	74%	0.736	S	S	*	*			trans	-157.1	72.7	132.8	-112.8	168.1	-171.3	170.8	0	111.5	Q196	K194-Q196 PolarHBondContact O-N 2.88Å
195	T	34.2	Very low	39.7	Very low	139 Å²	139	146.9 Å²	146.9	85%	0.853	74%	0.739	S	S	*	*			trans	-69.7	115.8	176.5	-42.7	0	0	0	0	110.7
196	Q	36.5	Very low	41	Very low	164 Å²	164	143.2 Å²	143.2	77%	0.766	73%	0.728	S	S	*	*			trans	-75	129.7	165.4	-73.9	-173.9	-0.6	0	0	109.5	K194	K194-Q196 PolarHBondContact O-N 2.88Å
197	R	42.1	Very low	41.8	Very low	195 Å²	195	140.3 Å²	140.3	74%	0.736	72%	0.721	S	S	*	*			trans	-59.7	144	-178.8	-97.1	-176.2	173	177.7	-1.8	112.2	D199 D200	R197-D199 PolarHBondContact O-N 3.17Å; R197-D199 VanDerWaalsContact O-N 3.09Å; R197-D200 PolarHBondContact O-N 3.13Å
198	A	47.7	Very low	42.4	Very low	85 Å²	85	139.8 Å²	139.8	70%	0.702	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-15.3	174.5	0	0	0	0	0	114.3	D200	A198-D200 VanDerWaalsContact C-N 3.34Å; A198-D200 PolarHBondContact O-N 3.04Å
199	D	46.8	Very low	42.9	Very low	96 Å²	96	141.5 Å²	141.5	51%	0.513	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-22.9	-178.9	-58.3	-50	0	0	0	114.1	R197 F201 V202	R197-D199 PolarHBondContact O-N 3.17Å; R197-D199 VanDerWaalsContact O-N 3.09Å; D199-F201 VanDerWaalsContact C-N 3.28Å; D199-F201 PolarHBondContact O-N 3.41Å; D199-V202 PolarHBondContact O-N 3.04Å
200	D	44.4	Very low	43.3	Very low	81 Å²	81	144.8 Å²	144.8	43%	0.433	72%	0.715	S	S	.	*	H	α-helix	trans	-69	-23	-177.2	-99.2	-30.4	0	0	0	113.8	R197 A198 K204	R197-D200 PolarHBondContact O-N 3.13Å; A198-D200 VanDerWaalsContact C-N 3.34Å; A198-D200 PolarHBondContact O-N 3.04Å; D200-K204 WeakPolarHBondContact O-CB 3.23Å; D200-K204 PolarHBondContact O-N 3.47Å
201	F	47.1	Very low	43.8	Very low	161 Å²	161	146.2 Å²	146.2	71%	0.706	71%	0.713	S	S	*	*	H	α-helix	trans	-76.7	-26.8	177.1	-87.8	-90.8	0	0	0	113	D199 K205	D199-F201 VanDerWaalsContact C-N 3.28Å; D199-F201 PolarHBondContact O-N 3.41Å; F201-K205 PolarHBondContact O-N 3.32Å
202	V	53.6	Low	44.5	Very low	83 Å²	83	144.6 Å²	144.6	50%	0.503	70%	0.703	S	S	.	*	H	α-helix	trans	-78	-45.3	-180	-176.6	0	0	0	0	110.6	D199 K204 K205 I206	D199-V202 PolarHBondContact O-N 3.04Å; V202-K204 VanDerWaalsContact C-N 3.32Å; V202-K204 PolarHBondContact O-N 3.06Å; V202-K205 PolarHBondContact O-N 3.25Å; V202-K205 VanDerWaalsContact O-N 3.14Å; V202-I206 HydrophobicContact CG1-CD1 4.06Å; V202-I206 PolarHBondContact O-N 3.11Å
203	L	53.1	Low	45	Very low	118 Å²	118	146.3 Å²	146.3	62%	0.618	70%	0.703	S	S	*	*	H	α-helix	trans	-63.3	-36.8	175.5	-86.9	73.4	0	0	0	112	I206 K207	L203-I206 PolarHBondContact O-N 2.66Å; L203-K207 VanDerWaalsContact O-CB 3.29Å; L203-K207 WeakPolarHBondContact O-CB 3.4Å; L203-K207 PolarHBondContact O-N 3.11Å
204	K	50.5	Low	45.4	Very low	141 Å²	141	152.2 Å²	152.2	61%	0.613	71%	0.714	S	S	*	*	H	α-helix	trans	-64.2	-39.1	172.3	-83.7	171	179.2	159.1	0	112.7	D200 V202 K208	D200-K204 WeakPolarHBondContact O-CB 3.23Å; D200-K204 PolarHBondContact O-N 3.47Å; V202-K204 VanDerWaalsContact C-N 3.32Å; V202-K204 PolarHBondContact O-N 3.06Å; K204-K208 VanDerWaalsContact O-CB 3.26Å; K204-K208 WeakPolarHBondContact O-CB 3.28Å; K204-K208 PolarHBondContact O-N 3Å; K204-K208 VanDerWaalsContact O-N 3.08Å
205	K	51.3	Low	45.9	Very low	171 Å²	171	153 Å²	153	74%	0.743	71%	0.711	S	S	*	*	H	α-helix	trans	-66.6	-39.1	174.5	-88.9	-172.8	174.5	176.8	0	112.8	F201 V202 K209	F201-K205 PolarHBondContact O-N 3.32Å; V202-K205 PolarHBondContact O-N 3.25Å; V202-K205 VanDerWaalsContact O-N 3.14Å; K205-K209 WeakPolarHBondContact O-CB 3.37Å; K205-K209 PolarHBondContact O-N 2.94Å
206	I	53.8	Low	46.1	Very low	111 Å²	111	154.7 Å²	154.7	57%	0.569	71%	0.709	S	S	*	*	H	α-helix	trans	-72.5	-43.3	178.9	-64.7	171.2	0	0	0	111.4	V202 L203 K208 K209 K210	V202-I206 HydrophobicContact CG1-CD1 4.06Å; V202-I206 PolarHBondContact O-N 3.11Å; L203-I206 PolarHBondContact O-N 2.66Å; I206-K208 VanDerWaalsContact C-N 3.34Å; I206-K208 PolarHBondContact O-N 3.49Å; I206-K209 PolarHBondContact O-N 3.45Å; I206-K209 VanDerWaalsContact O-N 3.08Å; I206-K210 PolarHBondContact O-N 2.89Å
207	K	46.2	Very low	46.6	Very low	173 Å²	173	154 Å²	154	75%	0.752	71%	0.711	S	S	*	*	H	α-helix	trans	-66	-33.3	178.2	-158.7	165.4	-175.6	172.2	0	112.4	L203 K211	L203-K207 VanDerWaalsContact O-CB 3.29Å; L203-K207 WeakPolarHBondContact O-CB 3.4Å; L203-K207 PolarHBondContact O-N 3.11Å; K207-K211 PolarHBondContact O-N 3.09Å
208	K	46.7	Very low	46.4	Very low	178 Å²	178	152.6 Å²	152.6	77%	0.774	72%	0.715	S	S	*	*	H	α-helix	trans	-73.1	-24.4	172.3	-161.7	169.9	-174.8	176.2	0	113.2	K204 I206	K204-K208 VanDerWaalsContact O-CB 3.26Å; K204-K208 WeakPolarHBondContact O-CB 3.28Å; K204-K208 PolarHBondContact O-N 3Å; K204-K208 VanDerWaalsContact O-N 3.08Å; I206-K208 VanDerWaalsContact C-N 3.34Å; I206-K208 PolarHBondContact O-N 3.49Å
209	K	45.7	Very low	45.9	Very low	172 Å²	172	159.9 Å²	159.9	75%	0.748	72%	0.724	S	S	*	*	H	α-helix	trans	-82.5	-30.7	175.1	-145.9	173.7	-174	-176.3	0	112.8	K205 I206	K205-K209 WeakPolarHBondContact O-CB 3.37Å; K205-K209 PolarHBondContact O-N 2.94Å; I206-K209 PolarHBondContact O-N 3.45Å; I206-K209 VanDerWaalsContact O-N 3.08Å
210	K	44.8	Very low	46	Very low	183 Å²	183	159.4 Å²	159.4	80%	0.796	74%	0.742	S	S	*	*	H	α-helix	trans	-81.4	-27.7	177.1	-148.7	171.1	-174.7	178.8	0	114	I206 K212	I206-K210 PolarHBondContact O-N 2.89Å; K210-K212 VanDerWaalsContact C-N 3.32Å; K210-K212 PolarHBondContact O-N 3.23Å
211	K	43.9	Very low	45.7	Very low	192 Å²	192	167 Å²	167	84%	0.835	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	2.2	174.1	-162.3	165.5	179.8	175.1	0	114.6	K207	K207-K211 PolarHBondContact O-N 3.09Å
212	K	46.6	Very low	45	Very low	161 Å²	161	170.2 Å²	170.2	70%	0.7	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-7.7	176.3	-168.9	170	177.4	-173.7	0	114.2	K210	K210-K212 VanDerWaalsContact C-N 3.32Å; K210-K212 PolarHBondContact O-N 3.23Å
213	K	43.6	Very low	44	Very low	196 Å²	196	173.5 Å²	173.5	85%	0.852	79%	0.786	S	S	*	*	S	Bend	trans	-106.9	20	-176.1	-88.2	-156.8	168.7	-159.4	0	115.8
214	H	43.1	Very low	43.1	Very low	184 Å²	184	175.2 Å²	175.2	85%	0.852	79%	0.788	S	S	*	*	S	Bend	trans	-144.7	44.5	172.7	-155.3	-65.7	0	0	0	112.2
215	R	41.7	Very low	42.3	Very low	230 Å²	230	175.7 Å²	175.7	87%	0.868	79%	0.794	S	S	*	*	S	Bend	trans	-144	33.3	169.3	-154.5	-171.5	177.6	175.2	0.1	112
216	E	38.8	Very low	41.3	Very low	173 Å²	173	176.7 Å²	176.7	81%	0.808	80%	0.795	S	S	*	*	S	Bend	trans	-130.1	59.8	168.2	-75.9	176.9	159.1	0	0	107.1
217	D	46.1	Very low	40.3	Very low	150 Å²	150	176.7 Å²	176.7	80%	0.802	80%	0.796	S	S	*	*	S	Bend	trans	-162	155.2	144.7	-119.3	-35	0	0	0	111.1
218	M	39.5	Very low	39.9	Very low	166 Å²	166	178.1 Å²	178.1	82%	0.818	80%	0.802	S	S	*	*	S	Bend	trans	63.5	77.5	179.2	-60.9	-64.6	168	0	0	117.8
219	R	37.1	Very low	39.4	Very low	238 Å²	238	175.3 Å²	175.3	90%	0.898	79%	0.792	S	S	*	*				161.9	115.7	112.4	-87.6	-179.5	-175.1	-146	0.9	111.4	R221	R219-R221 PolarHBondContact O-N 3.49Å
220	G	48.3	Very low	39	Very low	86 Å²	86	173.6 Å²	173.6	89%	0.887	80%	0.795	S	S	*	*			trans	-63.8	122	167.8	0	0	0	0	0	111.7
221	R	37.8	Very low	38.4	Very low	239 Å²	239	171.5 Å²	171.5	90%	0.902	79%	0.789	S	S	*	*			trans	-109.7	103.1	159.5	-83.7	-170.2	179.4	-121.1	2.4	108.4	R219 L223	R219-R221 PolarHBondContact O-N 3.49Å; R221-L223 PolarHBondContact O-N 3Å; R221-L223 VanDerWaalsContact O-N 3.14Å
222	R	33.5	Very low	38.1	Very low	229 Å²	229	168.5 Å²	168.5	86%	0.864	79%	0.786	S	S	*	*			trans	-51.8	114	169.8	179.3	175.6	172.9	-177.1	-0.6	109.4	K224	R222-K224 PolarHBondContact O-N 3.5Å; R222-K224 VanDerWaalsContact O-N 3.12Å
223	L	31.4	Very low	37.3	Very low	153 Å²	153	165.1 Å²	165.1	80%	0.801	78%	0.779	S	S	*	*			trans	-69.8	105.8	175	-152.7	76.7	0	0	0	107.6	R221 M225	R221-L223 PolarHBondContact O-N 3Å; R221-L223 VanDerWaalsContact O-N 3.14Å; L223-M225 VanDerWaalsContact C-N 3.34Å; L223-M225 PolarHBondContact O-N 3.47Å
224	K	35.7	Very low	36.8	Very low	153 Å²	153	161.7 Å²	161.7	67%	0.665	78%	0.778	S	S	*	*			trans	-76.1	88.3	173.9	-77.1	-170.9	175.3	-174.2	0	109.1	R222 Y226	R222-K224 PolarHBondContact O-N 3.5Å; R222-K224 VanDerWaalsContact O-N 3.12Å; K224-Y226 HydrophobicContact CB-CE2 4.36Å; K224-Y226 HydrophobicContact CD-CE2 4.49Å; K224-Y226 PolarHBondContact O-N 3Å
225	M	33.3	Very low	36.6	Very low	151 Å²	151	155.6 Å²	155.6	74%	0.744	76%	0.76	S	S	*	*			trans	-68.1	119.4	158.7	-57.7	-158.6	-48.8	0	0	107.6	L223 N227	L223-M225 VanDerWaalsContact C-N 3.34Å; L223-M225 PolarHBondContact O-N 3.47Å; M225-N227 PolarHBondContact O-N 3.37Å
226	Y	30.2	Very low	36.2	Very low	193 Å²	193	147.8 Å²	147.8	76%	0.757	75%	0.75	S	S	*	*			trans	-86.3	94.2	165.4	-82.8	-91.3	0	0	0	107.5	K224 K228	K224-Y226 HydrophobicContact CB-CE2 4.36Å; K224-Y226 HydrophobicContact CD-CE2 4.49Å; K224-Y226 PolarHBondContact O-N 3Å; Y226-K228 PolarHBondContact O-N 3.29Å; Y226-K228 VanDerWaalsContact O-N 3.15Å
227	N	32.7	Very low	36	Very low	110 Å²	110	144 Å²	144	59%	0.588	74%	0.735	S	S	*	*			trans	-61.1	114.6	159.3	-86.9	-1.4	0	0	0	107.5	M225 E229	M225-N227 PolarHBondContact O-N 3.37Å; N227-E229 HydrophobicContact CB-CG 4.08Å; N227-E229 VanDerWaalsContact CB-OE1 3.23Å; N227-E229 WeakPolarHBondContact CB-OE1 3.35Å; N227-E229 PolarHBondContact ND2-OE1 3.26Å; N227-E229 PolarHBondContact O-N 2.84Å; N227-E229 VanDerWaalsContact O-N 3.17Å
228	K	37.1	Very low	35.5	Very low	204 Å²	204	142.2 Å²	142.2	89%	0.887	73%	0.73	S	S	*	*			trans	-81	71.6	153	-81.2	-171.3	174.4	-175.9	0	107.3	Y226 V230	Y226-K228 PolarHBondContact O-N 3.29Å; Y226-K228 VanDerWaalsContact O-N 3.15Å; K228-V230 PolarHBondContact O-N 3.43Å
229	E	37	Very low	35.3	Very low	118 Å²	118	145.1 Å²	145.1	55%	0.551	73%	0.732	S	S	*	*			trans	-57.9	130.5	160.7	-81.7	147.2	-138.5	0	0	107.6	N227 Q231	N227-E229 HydrophobicContact CB-CG 4.08Å; N227-E229 VanDerWaalsContact CB-OE1 3.23Å; N227-E229 WeakPolarHBondContact CB-OE1 3.35Å; N227-E229 PolarHBondContact ND2-OE1 3.26Å; N227-E229 PolarHBondContact O-N 2.84Å; N227-E229 VanDerWaalsContact O-N 3.17Å; E229-Q231 HydrophobicContact CB-CG 4.42Å; E229-Q231 PolarHBondContact O-N 3.14Å
230	V	36.2	Very low	35.5	Very low	137 Å²	137	137.7 Å²	137.7	83%	0.83	71%	0.709	S	S	*	*			trans	-72.7	78.2	164.2	179.2	0	0	0	0	106.2	K228 T232	K228-V230 PolarHBondContact O-N 3.43Å; V230-T232 VanDerWaalsContact C-N 3.34Å; V230-T232 PolarHBondContact O-N 3.39Å
231	Q	33.7	Very low	34.7	Very low	139 Å²	139	136.8 Å²	136.8	65%	0.65	69%	0.689	S	S	*	*			trans	-66.4	94.4	168.6	-98.6	-175.6	11.9	0	0	107.7	E229 V233	E229-Q231 HydrophobicContact CB-CG 4.42Å; E229-Q231 PolarHBondContact O-N 3.14Å; Q231-V233 HydrophobicContact CB-CG2 3.66Å; Q231-V233 HydrophobicContact CG-CG2 4.31Å; Q231-V233 PolarHBondContact O-N 3.16Å
232	T	36.1	Very low	34.7	Very low	129 Å²	129	134.9 Å²	134.9	79%	0.791	69%	0.687	S	S	*	*			trans	-67.5	70.5	156.7	25.5	0	0	0	0	108.3	V230 C234	V230-T232 VanDerWaalsContact C-N 3.34Å; V230-T232 PolarHBondContact O-N 3.39Å; T232-C234 PolarHBondContact O-N 2.91Å
233	V	31.2	Very low	34.7	Very low	90 Å²	90	131 Å²	131	55%	0.545	68%	0.679	S	S	.	*			trans	-73.1	116.5	175.3	-147.3	0	0	0	0	108.1	Q231 A235	Q231-V233 HydrophobicContact CB-CG2 3.66Å; Q231-V233 HydrophobicContact CG-CG2 4.31Å; Q231-V233 PolarHBondContact O-N 3.16Å; V233-A235 HydrophobicContact CB-CB 3.84Å; V233-A235 HydrophobicContact CG1-CB 3.39Å; V233-A235 PolarHBondContact O-N 3.17Å
234	C	33.2	Very low	35.2	Very low	124 Å²	124	129.8 Å²	129.8	84%	0.838	67%	0.672	S	S	*	*			trans	-69	36	158.8	-65	0	0	0	0	111.9	T232 G236	T232-C234 PolarHBondContact O-N 2.91Å; C234-G236 PolarHBondContact O-N 2.9Å
235	A	37.9	Very low	35.4	Very low	56 Å²	56	130.4 Å²	130.4	46%	0.463	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	35.6	175.6	0	0	0	0	0	112.5	V233	V233-A235 HydrophobicContact CB-CB 3.84Å; V233-A235 HydrophobicContact CG1-CB 3.39Å; V233-A235 PolarHBondContact O-N 3.17Å
236	G	33.5	Very low	35.7	Very low	65 Å²	65	128.5 Å²	128.5	67%	0.67	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-30.6	161.1	0	0	0	0	0	112.3	C234	C234-G236 PolarHBondContact O-N 2.9Å
237	L	35.3	Very low	35.8	Very low	93 Å²	93	126.7 Å²	126.7	49%	0.487	68%	0.677	S	S	.	*	S	Bend	trans	-100.2	-10.8	-170.7	-101.8	74	0	0	0	116.1	R239 L264	L237-R239 PolarHBondContact O-N 3.39Å; L237-R239 VanDerWaalsContact O-N 3.17Å; L237-L264 HydrophobicContact CD2-CD1 3.65Å
238	T	35.2	Very low	36.4	Very low	113 Å²	113	125.2 Å²	125.2	69%	0.693	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	14.9	-179.9	50	0	0	0	0	114.3
239	R	34.5	Very low	36.3	Very low	228 Å²	228	123.7 Å²	123.7	86%	0.86	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	24.1	173.8	-90.4	-167.5	174.6	-162.9	-0.1	114.1	L237 S241	L237-R239 PolarHBondContact O-N 3.39Å; L237-R239 VanDerWaalsContact O-N 3.17Å; R239-S241 PolarHBondContact O-N 2.83Å
240	I	40.9	Very low	36.2	Very low	82 Å²	82	126.1 Å²	126.1	42%	0.421	70%	0.699	S	S	.	*	S	Bend	trans	-76.8	106.7	161.1	-56.9	-177.5	0	0	0	106.9	I244 F261	I240-I244 HydrophobicContact CG2-CD1 3.91Å; I240-F261 HydrophobicContact CD1-CE1 3.83Å; I240-F261 HydrophobicContact CD1-CE2 4.44Å; I240-F261 HydrophobicContact CD1-CZ 3.59Å
241	S	32.2	Very low	36.2	Very low	67 Å²	67	126.7 Å²	126.7	47%	0.469	70%	0.697	S	S	.	*			trans	-57.4	144.1	-174.9	-62.8	0	0	0	0	112.6	R239 E243 I244	R239-S241 PolarHBondContact O-N 2.83Å; S241-E243 PolarHBondContact O-N 3.05Å; S241-I244 PolarHBondContact O-N 3.38Å
242	K	37.5	Very low	36.7	Very low	198 Å²	198	125.5 Å²	125.5	86%	0.861	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-56.1	-12.1	175.7	-163.3	174.9	-179	-178.9	0	114.1
243	E	33.4	Very low	36.6	Very low	147 Å²	147	125.8 Å²	125.8	69%	0.687	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-77.3	-22.2	-178.3	-66.3	157.9	153.8	0	0	113.9	S241 L245 T246	S241-E243 PolarHBondContact O-N 3.05Å; E243-L245 PolarHBondContact O-N 3.34Å; E243-T246 PolarHBondContact O-OG1 3.45Å
244	I	43.1	Very low	36.9	Very low	128 Å²	128	125.8 Å²	125.8	66%	0.656	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-73.9	-16.5	-178.9	-62.1	-179.4	0	0	0	112.2	I240 S241	I240-I244 HydrophobicContact CG2-CD1 3.91Å; S241-I244 PolarHBondContact O-N 3.38Å
245	L	39.6	Very low	37.5	Very low	166 Å²	166	123.3 Å²	123.3	87%	0.869	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-89	3.6	-175.7	-114.7	148.4	0	0	0	114.6	E243	E243-L245 PolarHBondContact O-N 3.34Å
246	T	38.2	Very low	37.8	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	72%	0.723	S	S	*	*	S	Bend	trans	-121.3	-3.7	-172	29.1	0	0	0	0	116.1	E243	E243-T246 PolarHBondContact O-OG1 3.45Å
247	Q	33.6	Very low	38.7	Very low	156 Å²	156	128.8 Å²	128.8	73%	0.729	71%	0.711	S	S	*	*			trans	-129.6	118.8	176.8	-154.3	68.3	28.2	0	0	112.2	Q249	Q247-Q249 PolarHBondContact O-N 3.28Å
248	G	44.4	Very low	39.5	Very low	79 Å²	79	132.1 Å²	132.1	81%	0.814	72%	0.721	S	S	*	*			trans	-74.3	89.6	174.3	0	0	0	0	0	112
249	Q	35.4	Very low	39.9	Very low	172 Å²	172	133.5 Å²	133.5	80%	0.804	72%	0.72	S	S	*	*			trans	-179	124.1	162.8	-105.5	172.2	-2.2	0	0	107.3	Q247	Q247-Q249 PolarHBondContact O-N 3.28Å
250	I	34.8	Very low	40.4	Very low	169 Å²	169	125.2 Å²	125.2	87%	0.867	70%	0.697	S	S	*	*				-163.7	137.3	106.2	-38.8	-171.4	0	0	0	107.9
251	N	36.7	Very low	40.9	Very low	148 Å²	148	126.3 Å²	126.3	79%	0.791	70%	0.699	S	S	*	*			trans	-79	156.4	169.7	-71	-35.6	0	0	0	112.2
252	S	43	Very low	41.9	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	70%	0.7	S	S	*	*			trans	59.6	88	155.2	-56.7	0	0	0	0	118.6
253	T	34.2	Very low	42.6	Very low	136 Å²	136	125.7 Å²	125.7	83%	0.834	68%	0.682	S	S	*	*			trans	-155.5	130.3	144.8	-4.5	0	0	0	0	112.3
254	S	38.9	Very low	43.5	Very low	89 Å²	89	121.1 Å²	121.1	62%	0.622	66%	0.662	S	S	*	*			trans	30.9	110.5	165.4	50.7	0	0	0	0	119.7	L256	S254-L256 PolarHBondContact O-N 2.96Å
255	G	45.9	Very low	44	Very low	72 Å²	72	120.6 Å²	120.6	74%	0.742	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	14	178.7	0	0	0	0	0	117.8
256	L	43.7	Very low	44.6	Very low	158 Å²	158	113.4 Å²	113.4	83%	0.827	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	2.5	-174.9	-74.3	170.8	0	0	0	115	S254	S254-L256 PolarHBondContact O-N 2.96Å
257	N	51.4	Low	45.3	Very low	78 Å²	78	110.3 Å²	110.3	42%	0.417	60%	0.595	S	S	.	*	S	Bend	trans	-126.9	2.6	-172	-94.6	-41.9	0	0	0	115.4	E259 F261	N257-E259 PolarHBondContact O-N 3.24Å; N257-F261 HydrophobicContact CB-CD2 3.82Å; N257-F261 HydrophobicContact CB-CE2 3.89Å; N257-F261 WeakPolarHBondContact O-CB 3.5Å; N257-F261 VanDerWaalsContact O-CD2 3.23Å; N257-F261 WeakPolarHBondContact O-CD2 3.41Å; N257-F261 PolarHBondContact O-N 2.7Å
258	K	52.2	Low	46.3	Very low	163 Å²	163	108.4 Å²	108.4	71%	0.709	59%	0.586	S	S	*	*	H	α-helix	trans	-64.9	-25.2	-179.6	-74.3	-172.9	177.2	-178.5	0	113.7	R262	K258-R262 VanDerWaalsContact O-CG 3.28Å; K258-R262 WeakPolarHBondContact O-CG 3.49Å; K258-R262 PolarHBondContact O-N 3.23Å; K258-R262 PolarHBondContact O-NE 3.21Å; K258-R262 VanDerWaalsContact O-NE 3.11Å
259	E	44.6	Very low	46.6	Very low	142 Å²	142	106.6 Å²	106.6	66%	0.664	56%	0.558	S	S	*	*	H	α-helix	trans	-88.6	-45	179.2	-77.8	169.4	-177.6	0	0	112.1	N257 F261 R262 Y263	N257-E259 PolarHBondContact O-N 3.24Å; E259-F261 VanDerWaalsContact C-N 3.28Å; E259-F261 PolarHBondContact O-N 3.26Å; E259-R262 WeakPolarHBondContact O-CA 3.31Å; E259-R262 WeakPolarHBondContact O-CB 3.43Å; E259-R262 PolarHBondContact O-N 3.3Å; E259-R262 IonicContact OE1-NH2 3.62Å; E259-R262 PolarHBondContact OE1-NH2 3.07Å; E259-Y263 WeakPolarHBondContact O-CB 3.23Å; E259-Y263 PolarHBondContact O-N 3.47Å
260	S	45.2	Very low	47.2	Very low	54 Å²	54	100.3 Å²	100.3	38%	0.378	53%	0.533	S	S	.	.	H	α-helix	trans	-61.9	-34.5	175.4	-47.9	0	0	0	0	112.8	L264	S260-L264 WeakPolarHBondContact O-CB 3.48Å; S260-L264 PolarHBondContact O-N 2.63Å
261	F	50.6	Low	47.9	Very low	106 Å²	106	101.4 Å²	101.4	47%	0.465	53%	0.526	S	S	.	.	H	α-helix	trans	-73.7	-30.2	172.6	-84	-111.7	0	0	0	113.2	I240 N257 E259 K265	I240-F261 HydrophobicContact CD1-CE1 3.83Å; I240-F261 HydrophobicContact CD1-CE2 4.44Å; I240-F261 HydrophobicContact CD1-CZ 3.59Å; N257-F261 HydrophobicContact CB-CD2 3.82Å; N257-F261 HydrophobicContact CB-CE2 3.89Å; N257-F261 WeakPolarHBondContact O-CB 3.5Å; N257-F261 VanDerWaalsContact O-CD2 3.23Å; N257-F261 WeakPolarHBondContact O-CD2 3.41Å; N257-F261 PolarHBondContact O-N 2.7Å; E259-F261 VanDerWaalsContact C-N 3.28Å; E259-F261 PolarHBondContact O-N 3.26Å; F261-K265 WeakPolarHBondContact O-CB 3.13Å; F261-K265 PolarHBondContact O-N 2.85Å; F261-K265 VanDerWaalsContact O-N 3.13Å
262	R	54.1	Low	48.4	Very low	128 Å²	128	99.2 Å²	99.2	48%	0.483	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-50.2	170.1	-81	-175.6	-72.4	175.5	3.6	110.4	K258 E259 L264 K265 D266	K258-R262 VanDerWaalsContact O-CG 3.28Å; K258-R262 WeakPolarHBondContact O-CG 3.49Å; K258-R262 PolarHBondContact O-N 3.23Å; K258-R262 PolarHBondContact O-NE 3.21Å; K258-R262 VanDerWaalsContact O-NE 3.11Å; E259-R262 WeakPolarHBondContact O-CA 3.31Å; E259-R262 WeakPolarHBondContact O-CB 3.43Å; E259-R262 PolarHBondContact O-N 3.3Å; E259-R262 IonicContact OE1-NH2 3.62Å; E259-R262 PolarHBondContact OE1-NH2 3.07Å; R262-L264 PolarHBondContact O-N 3.06Å; R262-K265 WeakPolarHBondContact O-CA 3.42Å; R262-K265 WeakPolarHBondContact O-CB 3.48Å; R262-K265 PolarHBondContact O-N 3.24Å; R262-D266 PolarHBondContact O-N 3.39Å
263	Y	51.5	Low	48.8	Very low	123 Å²	123	98.8 Å²	98.8	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-53.3	-48.2	175.3	178.3	-98.5	0	0	0	112.8	E259 K265 D266 E267 H292	E259-Y263 WeakPolarHBondContact O-CB 3.23Å; E259-Y263 PolarHBondContact O-N 3.47Å; Y263-K265 VanDerWaalsContact C-N 3.32Å; Y263-K265 PolarHBondContact O-N 2.93Å; Y263-D266 PolarHBondContact O-N 3.14Å; Y263-E267 HydrophobicContact CE1-CG 4.34Å; Y263-E267 WeakPolarHBondContact O-CB 3.5Å; Y263-E267 PolarHBondContact O-N 3.01Å; Y263-H292 AromaticContact CD2-CE1 3.73Å; Y263-H292 AromaticContact CD2-NE2 3.27Å; Y263-H292 VanDerWaalsContact CD2-NE2 3.27Å; Y263-H292 WeakPolarHBondContact CD2-NE2 3.41Å; Y263-H292 AromaticContact CE2-CD2 3.79Å; Y263-H292 AromaticContact CE2-CE1 3.58Å; Y263-H292 AromaticContact CE2-NE2 3.33Å; Y263-H292 VanDerWaalsContact CE2-NE2 3.33Å; Y263-H292 WeakPolarHBondContact CE2-NE2 3.42Å
264	L	53.6	Low	49.3	Very low	52 Å²	52	99.2 Å²	99.2	27%	0.272	50%	0.499	S	S	.	.	H	α-helix	trans	-66.8	-28.6	177	-89.4	158.5	0	0	0	114.2	L237 S260 R262 Q268	L237-L264 HydrophobicContact CD2-CD1 3.65Å; S260-L264 WeakPolarHBondContact O-CB 3.48Å; S260-L264 PolarHBondContact O-N 2.63Å; R262-L264 PolarHBondContact O-N 3.06Å; L264-Q268 WeakPolarHBondContact O-CG 3.46Å; L264-Q268 PolarHBondContact O-N 2.62Å
265	K	52.6	Low	49.5	Very low	116 Å²	116	95.7 Å²	95.7	50%	0.504	48%	0.476	S	S	.	.	H	α-helix	trans	-73	-51.2	173.3	-166.7	-173.3	179.5	-158.6	0	109.4	F261 R262 Y263 E267 Q268 L269	F261-K265 WeakPolarHBondContact O-CB 3.13Å; F261-K265 PolarHBondContact O-N 2.85Å; F261-K265 VanDerWaalsContact O-N 3.13Å; R262-K265 WeakPolarHBondContact O-CA 3.42Å; R262-K265 WeakPolarHBondContact O-CB 3.48Å; R262-K265 PolarHBondContact O-N 3.24Å; Y263-K265 VanDerWaalsContact C-N 3.32Å; Y263-K265 PolarHBondContact O-N 2.93Å; K265-E267 PolarHBondContact O-N 2.87Å; K265-Q268 PolarHBondContact O-N 2.89Å; K265-Q268 VanDerWaalsContact O-N 3.11Å; K265-L269 HydrophobicContact CG-CD1 4.07Å; K265-L269 HydrophobicContact CG-CG 4.38Å; K265-L269 VanDerWaalsContact O-CG 3.31Å; K265-L269 WeakPolarHBondContact O-CG 3.26Å; K265-L269 PolarHBondContact O-N 3.41Å
266	D	51.8	Low	49.5	Very low	16 Å²	16	94.8 Å²	94.8	9%	0.086	45%	0.453	C	S	.	.	H	α-helix	trans	-62.3	-42	-178.2	-67.4	-8	0	0	0	111.6	R262 Y263 Q268 L269 C270 Y279 H295	R262-D266 PolarHBondContact O-N 3.39Å; Y263-D266 PolarHBondContact O-N 3.14Å; D266-Q268 VanDerWaalsContact C-N 3.34Å; D266-Q268 PolarHBondContact O-N 3.31Å; D266-L269 PolarHBondContact O-N 3.23Å; D266-C270 WeakPolarHBondContact O-CB 3.47Å; D266-C270 PolarHBondContact O-N 2.9Å; D266-C270 PolarHBondContact O-SG 3.17Å; D266-Y279 PolarHBondContact OD1-OH 2.97Å; D266-H295 IonicContact OD2-CE1 2.72Å
267	E	54	Low	49.5	Very low	46 Å²	46	94.1 Å²	94.1	22%	0.215	45%	0.446	C	S	.	.	H	α-helix	trans	-56.2	-43.1	171.2	-102.9	-78.4	130	0	0	112.6	Y263 K265 R271	Y263-E267 HydrophobicContact CE1-CG 4.34Å; Y263-E267 WeakPolarHBondContact O-CB 3.5Å; Y263-E267 PolarHBondContact O-N 3.01Å; K265-E267 PolarHBondContact O-N 2.87Å; E267-R271 WeakPolarHBondContact O-CB 3.44Å; E267-R271 VanDerWaalsContact O-CG 3.26Å; E267-R271 WeakPolarHBondContact O-CG 3.35Å; E267-R271 PolarHBondContact O-N 3.34Å; E267-R271 VanDerWaalsContact O-N 3.16Å; E267-R271 IonicContact OE2-CZ 3.99Å; E267-R271 VanDerWaalsContact OE2-CZ 3.29Å; E267-R271 IonicContact OE2-NE 3.29Å; E267-R271 PolarHBondContact OE2-NE 2.75Å; E267-R271 IonicContact OE2-NH2 2.66Å; E267-R271 PolarHBondContact OE2-NH2 2.88Å
268	Q	54	Low	48.9	Very low	115 Å²	115	98.2 Å²	98.2	54%	0.537	46%	0.462	S	S	.	.	H	α-helix	trans	-73.4	-36	178.7	-74.8	-170.4	49.3	0	0	112.3	L264 K265 D266 R271 L272	L264-Q268 WeakPolarHBondContact O-CG 3.46Å; L264-Q268 PolarHBondContact O-N 2.62Å; K265-Q268 PolarHBondContact O-N 2.89Å; K265-Q268 VanDerWaalsContact O-N 3.11Å; D266-Q268 VanDerWaalsContact C-N 3.34Å; D266-Q268 PolarHBondContact O-N 3.31Å; Q268-R271 PolarHBondContact O-N 3.41Å; Q268-L272 WeakPolarHBondContact O-CB 3.46Å; Q268-L272 WeakPolarHBondContact O-CD1 3.44Å; Q268-L272 PolarHBondContact O-N 3.24Å; Q268-L272 VanDerWaalsContact O-N 3.14Å
269	L	49.6	Very low	48.5	Very low	42 Å²	42	93.4 Å²	93.4	22%	0.22	44%	0.44	C	S	.	.	H	α-helix	trans	-68.7	-40.7	177.7	-66.8	-178.4	0	0	0	111.8	K265 D266 L272 N273	K265-L269 HydrophobicContact CG-CD1 4.07Å; K265-L269 HydrophobicContact CG-CG 4.38Å; K265-L269 VanDerWaalsContact O-CG 3.31Å; K265-L269 WeakPolarHBondContact O-CG 3.26Å; K265-L269 PolarHBondContact O-N 3.41Å; D266-L269 PolarHBondContact O-N 3.23Å; L269-L272 PolarHBondContact O-N 2.85Å; L269-N273 PolarHBondContact O-N 3.38Å
270	C	48.4	Very low	48.3	Very low	40 Å²	40	92.8 Å²	92.8	27%	0.27	43%	0.432	S	S	.	.	H	α-helix	trans	-62.7	-41.2	173	-64.3	0	0	0	0	111.7	D266 L272	D266-C270 WeakPolarHBondContact O-CB 3.47Å; D266-C270 PolarHBondContact O-N 2.9Å; D266-C270 PolarHBondContact O-SG 3.17Å; C270-L272 VanDerWaalsContact C-N 3.3Å; C270-L272 PolarHBondContact O-N 2.94Å
271	R	50.8	Low	48.1	Very low	191 Å²	191	92 Å²	92	72%	0.721	42%	0.424	S	S	*	.	H	α-helix	trans	-70.5	-20.5	178.1	-74.5	176.9	-172	-129	0.2	115	E267 Q268	E267-R271 WeakPolarHBondContact O-CB 3.44Å; E267-R271 VanDerWaalsContact O-CG 3.26Å; E267-R271 WeakPolarHBondContact O-CG 3.35Å; E267-R271 PolarHBondContact O-N 3.34Å; E267-R271 VanDerWaalsContact O-N 3.16Å; E267-R271 IonicContact OE2-CZ 3.99Å; E267-R271 VanDerWaalsContact OE2-CZ 3.29Å; E267-R271 IonicContact OE2-NE 3.29Å; E267-R271 PolarHBondContact OE2-NE 2.75Å; E267-R271 IonicContact OE2-NH2 2.66Å; E267-R271 PolarHBondContact OE2-NH2 2.88Å; Q268-R271 PolarHBondContact O-N 3.41Å
272	L	46.5	Very low	47.6	Very low	103 Å²	103	91.8 Å²	91.8	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-109.6	-10.6	-174.1	-79.8	159.2	0	0	0	113.9	Q268 L269 C270 L274	Q268-L272 WeakPolarHBondContact O-CB 3.46Å; Q268-L272 WeakPolarHBondContact O-CD1 3.44Å; Q268-L272 PolarHBondContact O-N 3.24Å; Q268-L272 VanDerWaalsContact O-N 3.14Å; L269-L272 PolarHBondContact O-N 2.85Å; C270-L272 VanDerWaalsContact C-N 3.3Å; C270-L272 PolarHBondContact O-N 2.94Å; L272-L274 HydrophobicContact CB-CB 4.26Å; L272-L274 WeakPolarHBondContact O-CD1 3.37Å; L272-L274 PolarHBondContact O-N 3.42Å
273	N	51.2	Low	47	Very low	104 Å²	104	94.6 Å²	94.6	56%	0.556	45%	0.452	S	S	*	.	S	Bend	trans	55.9	4	-169.6	-65	-37.6	0	0	0	115.1	L269 G275	L269-N273 PolarHBondContact O-N 3.38Å; N273-G275 PolarHBondContact O-N 3.05Å
274	L	45.2	Very low	46.8	Very low	146 Å²	146	91 Å²	91	76%	0.764	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.5	-173.4	-102.5	70.8	0	0	0	114.4	L272	L272-L274 HydrophobicContact CB-CB 4.26Å; L272-L274 WeakPolarHBondContact O-CD1 3.37Å; L272-L274 PolarHBondContact O-N 3.42Å
275	G	42.7	Very low	46.5	Very low	14 Å²	14	89.1 Å²	89.1	14%	0.144	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-0.3	-174.6	0	0	0	0	0	116.2	N273 Q277 Y279	N273-G275 PolarHBondContact O-N 3.05Å; G275-Q277 PolarHBondContact O-N 3.02Å; G275-Q277 VanDerWaalsContact O-N 3.09Å; G275-Y279 WeakPolarHBondContact O-CD2 3.36Å
276	M	46.7	Very low	46.4	Very low	53 Å²	53	90.2 Å²	90.2	26%	0.261	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.8	-165	-63.6	-125	59.8	0	0	115	P288 F289	M276-P288 VanDerWaalsContact SD-CA 3.54Å; M276-P288 HydrophobicContact SD-CB 3.63Å; M276-F289 HydrophobicContact CE-CD2 3.74Å; M276-F289 HydrophobicContact CE-CE2 3.67Å
277	Q	43.2	Very low	46.6	Very low	144 Å²	144	92.7 Å²	92.7	67%	0.673	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-34.8	-175.6	-158	70.2	20.1	0	0	113.5	G275	G275-Q277 PolarHBondContact O-N 3.02Å; G275-Q277 VanDerWaalsContact O-N 3.09Å
278	E	39.7	Very low	47	Very low	164 Å²	164	92.8 Å²	92.8	77%	0.766	47%	0.471	S	S	*	.	S	Bend	trans	-86.6	-9	178.4	-68.8	-175.2	143	0	0	113.2
279	Y	42.4	Very low	47.8	Very low	62 Å²	62	89 Å²	89	24%	0.243	45%	0.453	C	S	.	.			trans	-119.2	22.8	-170.5	-59.7	-103.8	0	0	0	112.6	D266 G275 V281	D266-Y279 PolarHBondContact OD1-OH 2.97Å; G275-Y279 WeakPolarHBondContact O-CD2 3.36Å; Y279-V281 PolarHBondContact O-N 2.9Å
280	R	41.5	Very low	48.7	Very low	130 Å²	130	90.9 Å²	90.9	49%	0.491	46%	0.462	S	S	.	.			trans	-61.7	121.4	167.2	-76.8	-172.6	-178.9	172.2	0.4	109.2
281	V	40.6	Very low	50	Low	36 Å²	36	92.6 Å²	92.6	22%	0.218	47%	0.471	C	S	.	.			trans	-50	145.2	160	-179.1	0	0	0	0	108.5	Y279 Q283 V285 E331	Y279-V281 PolarHBondContact O-N 2.9Å; V281-Q283 PolarHBondContact O-N 3.31Å; V281-V285 HydrophobicContact CB-CB 4.28Å; V281-E331 HydrophobicContact CG1-CG 4.28Å
282	P	39.5	Very low	51.3	Low	103 Å²	103	85.9 Å²	85.9	67%	0.669	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	114.8	-175.5	-30.9	37	0	0	0	113.4
283	Q	42.1	Very low	53	Low	186 Å²	186	85.6 Å²	85.6	87%	0.869	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	60.5	166.7	-66.7	175.2	-29.7	0	0	117.6	V281 F334	V281-Q283 PolarHBondContact O-N 3.31Å; Q283-F334 WeakPolarHBondContact O-CD1 3.33Å; Q283-F334 VanDerWaalsContact O-CE1 3.23Å; Q283-F334 WeakPolarHBondContact O-CE1 3.27Å
284	G	46.3	Very low	54.6	Low	47 Å²	47	82 Å²	82	49%	0.485	42%	0.423	S	S	.	.	S	Bend	trans	148.9	-23.7	143.1	0	0	0	0	0	117.4	Q286	G284-Q286 PolarHBondContact O-N 3.3Å
285	V	48	Very low	56.4	Low	14 Å²	14	75.7 Å²	75.7	9%	0.085	39%	0.39	C	S	.	.			trans	-66.6	121.3	176.3	-176.6	0	0	0	0	110	V281 T287 E331 F334	V281-V285 HydrophobicContact CB-CB 4.28Å; V285-T287 WeakPolarHBondContact CG1-OG1 3.4Å; V285-E331 HydrophobicContact CG2-CG 4.48Å; V285-F334 HydrophobicContact CG2-CD2 4.04Å; V285-F334 HydrophobicContact CG2-CE2 3.39Å; V285-F334 HydrophobicContact CG2-CZ 4.1Å
286	Q	50.6	Low	58.4	Low	138 Å²	138	77.6 Å²	77.6	65%	0.645	40%	0.401	S	S	*	.			trans	-123	34.6	169.5	-70.8	-161.7	96	0	0	111.7	G284	G284-Q286 PolarHBondContact O-N 3.3Å
287	T	56.1	Low	60.4	Low	68 Å²	68	75.7 Å²	75.7	42%	0.417	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-75.5	125.6	163.8	44.3	0	0	0	0	108.9	V285 D330	V285-T287 WeakPolarHBondContact CG1-OG1 3.4Å; T287-D330 PolarHBondContact OG1-OD2 3.17Å
288	P	62.6	Low	62.5	Low	49 Å²	49	70.3 Å²	70.3	32%	0.318	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-72.3	137.6	171	29.6	-32.8	0	0	0	109.8	M276 M290	M276-P288 VanDerWaalsContact SD-CA 3.54Å; M276-P288 HydrophobicContact SD-CB 3.63Å; P288-M290 HydrophobicContact CG-CE 4.49Å; P288-M290 WeakPolarHBondContact O-CE 3.45Å; P288-M290 PolarHBondContact O-N 2.79Å
289	F	70.4	Confident	64.6	Low	35 Å²	35	68.7 Å²	68.7	15%	0.154	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-54.5	125.7	176.7	-55.7	-68.4	0	0	0	110.3	M276 T291 H295 R298	M276-F289 HydrophobicContact CE-CD2 3.74Å; M276-F289 HydrophobicContact CE-CE2 3.67Å; F289-T291 VanDerWaalsContact C-N 3.31Å; F289-T291 PolarHBondContact O-N 2.83Å; F289-H295 HydrophobicContact CB-CB 4.02Å; F289-H295 HydrophobicContact CD1-CB 4.17Å; F289-H295 HydrophobicContact CD2-CB 3.93Å; F289-H295 AromaticContact CD2-CD2 3.72Å; F289-H295 HydrophobicContact CE2-CB 4.47Å; F289-H295 AromaticContact CE2-CD2 3.44Å; F289-H295 VanDerWaalsContact CE2-CD2 3.44Å; F289-H295 WeakPolarHBondContact CE2-CD2 2.99Å; F289-H295 HydrophobicContact CG-CB 3.77Å; F289-H295 AromaticContact CZ-CD2 3.8Å; F289-R298 HydrophobicContact CE1-CB 4.29Å
290	M	68.2	Low	66.5	Low	82 Å²	82	70 Å²	70	40%	0.404	36%	0.363	S	S	.	.	S	Bend	trans	-69.9	-31.5	-177.9	-62	-80.9	92.6	0	0	111.3	P288 E294 Q564	P288-M290 HydrophobicContact CG-CE 4.49Å; P288-M290 WeakPolarHBondContact O-CE 3.45Å; P288-M290 PolarHBondContact O-N 2.79Å; M290-E294 WeakPolarHBondContact CB-OE2 3.35Å; M290-E294 PolarHBondContact N-OE2 2.74Å; M290-Q564 HydrophobicContact CE-CG 4.38Å; M290-Q564 HydrophobicContact SD-CB 4.08Å; M290-Q564 HydrophobicContact SD-CG 3.69Å; M290-Q564 PolarHBondContact SD-NE2 2.94Å; M290-Q564 VanDerWaalsContact SD-NE2 3.41Å
291	T	75.5	Confident	68.4	Low	75 Å²	75	68.2 Å²	68.2	46%	0.46	36%	0.359	S	S	.	.			trans	-142.2	158.9	180	70.4	0	0	0	0	112.5	F289 Q293 E294 H295	F289-T291 VanDerWaalsContact C-N 3.31Å; F289-T291 PolarHBondContact O-N 2.83Å; T291-Q293 PolarHBondContact O-N 3.41Å; T291-Q293 PolarHBondContact OG1-N 3.29Å; T291-E294 PolarHBondContact O-N 3.43Å; T291-E294 WeakPolarHBondContact OG1-CB 3.33Å; T291-E294 PolarHBondContact OG1-N 3.44Å; T291-H295 PolarHBondContact O-N 2.79Å; T291-H295 VanDerWaalsContact O-N 3.14Å
292	H	78.8	Confident	70.4	Confident	51 Å²	51	68.2 Å²	68.2	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-31.6	169.7	-176.2	-68.4	0	0	0	112.1	Y263 S296	Y263-H292 AromaticContact CD2-CE1 3.73Å; Y263-H292 AromaticContact CD2-NE2 3.27Å; Y263-H292 VanDerWaalsContact CD2-NE2 3.27Å; Y263-H292 WeakPolarHBondContact CD2-NE2 3.41Å; Y263-H292 AromaticContact CE2-CD2 3.79Å; Y263-H292 AromaticContact CE2-CE1 3.58Å; Y263-H292 AromaticContact CE2-NE2 3.33Å; Y263-H292 VanDerWaalsContact CE2-NE2 3.33Å; Y263-H292 WeakPolarHBondContact CE2-NE2 3.42Å; H292-S296 WeakPolarHBondContact O-CB 3.34Å; H292-S296 PolarHBondContact O-N 3.35Å
293	Q	82.3	Confident	72.3	Confident	96 Å²	96	71.9 Å²	71.9	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-49.4	177.3	-175.6	173.8	-2.1	0	0	110.3	T291 H295 S296 I297 E315	T291-Q293 PolarHBondContact O-N 3.41Å; T291-Q293 PolarHBondContact OG1-N 3.29Å; Q293-H295 PolarHBondContact O-N 2.73Å; Q293-S296 CarbonylContact O-C 3.56Å; Q293-S296 WeakPolarHBondContact O-CA 3.42Å; Q293-S296 WeakPolarHBondContact O-CB 3.34Å; Q293-S296 PolarHBondContact O-N 3.04Å; Q293-I297 HydrophobicContact CG-CD1 3.95Å; Q293-I297 WeakPolarHBondContact O-CG1 3.48Å; Q293-I297 PolarHBondContact O-N 2.82Å; Q293-E315 PolarHBondContact NE2-OE1 2.91Å
294	E	83.5	Confident	73.9	Confident	28 Å²	28	65.1 Å²	65.1	13%	0.131	33%	0.334	C	S	.	.	H	α-helix	trans	-56	-47.4	174.9	-177.8	-174.8	-162.4	0	0	112.4	M290 T291 S296 I297 R298 Y328	M290-E294 WeakPolarHBondContact CB-OE2 3.35Å; M290-E294 PolarHBondContact N-OE2 2.74Å; T291-E294 PolarHBondContact O-N 3.43Å; T291-E294 WeakPolarHBondContact OG1-CB 3.33Å; T291-E294 PolarHBondContact OG1-N 3.44Å; E294-S296 VanDerWaalsContact C-N 3.26Å; E294-S296 PolarHBondContact O-N 2.92Å; E294-I297 PolarHBondContact O-N 2.67Å; E294-I297 VanDerWaalsContact O-N 3.17Å; E294-R298 HydrophobicContact CG-CG 4.36Å; E294-R298 WeakPolarHBondContact O-CB 3.32Å; E294-R298 PolarHBondContact O-N 3.14Å; E294-R298 IonicContact OE1-CZ 2.78Å; E294-R298 VanDerWaalsContact OE1-CZ 3.28Å; E294-R298 IonicContact OE1-NE 2.8Å; E294-R298 PolarHBondContact OE1-NE 3.1Å; E294-R298 IonicContact OE1-NH2 3.96Å; E294-R298 PolarHBondContact OE1-NH2 3.26Å; E294-Y328 HydrophobicContact CG-CE1 4.21Å
295	H	83	Confident	75.5	Confident	15 Å²	15	66.6 Å²	66.6	7%	0.069	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-37.8	174.4	171.6	-123.3	0	0	0	112.4	D266 F289 T291 Q293 R299	D266-H295 IonicContact OD2-CE1 2.72Å; F289-H295 HydrophobicContact CB-CB 4.02Å; F289-H295 HydrophobicContact CD1-CB 4.17Å; F289-H295 HydrophobicContact CD2-CB 3.93Å; F289-H295 AromaticContact CD2-CD2 3.72Å; F289-H295 HydrophobicContact CE2-CB 4.47Å; F289-H295 AromaticContact CE2-CD2 3.44Å; F289-H295 VanDerWaalsContact CE2-CD2 3.44Å; F289-H295 WeakPolarHBondContact CE2-CD2 2.99Å; F289-H295 HydrophobicContact CG-CB 3.77Å; F289-H295 AromaticContact CZ-CD2 3.8Å; T291-H295 PolarHBondContact O-N 2.79Å; T291-H295 VanDerWaalsContact O-N 3.14Å; Q293-H295 PolarHBondContact O-N 2.73Å; H295-R299 WeakPolarHBondContact O-CB 3.48Å; H295-R299 PolarHBondContact O-N 2.97Å
296	S	85.3	Confident	77.3	Confident	54 Å²	54	68.7 Å²	68.7	38%	0.378	36%	0.363	S	S	.	.	H	α-helix	trans	-69.4	-34.9	177	-167.2	0	0	0	0	112.6	H292 Q293 E294 N300	H292-S296 WeakPolarHBondContact O-CB 3.34Å; H292-S296 PolarHBondContact O-N 3.35Å; Q293-S296 CarbonylContact O-C 3.56Å; Q293-S296 WeakPolarHBondContact O-CA 3.42Å; Q293-S296 WeakPolarHBondContact O-CB 3.34Å; Q293-S296 PolarHBondContact O-N 3.04Å; E294-S296 VanDerWaalsContact C-N 3.26Å; E294-S296 PolarHBondContact O-N 2.92Å; S296-N300 PolarHBondContact O-ND2 3.37Å
297	I	88.9	Confident	79	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.062	36%	0.356	C	S	.	.	H	α-helix	trans	-72.2	-55.2	177.4	-64	165.6	0	0	0	109.7	Q293 E294 R299 N300 H313 E315 H326	Q293-I297 HydrophobicContact CG-CD1 3.95Å; Q293-I297 WeakPolarHBondContact O-CG1 3.48Å; Q293-I297 PolarHBondContact O-N 2.82Å; E294-I297 PolarHBondContact O-N 2.67Å; E294-I297 VanDerWaalsContact O-N 3.17Å; I297-R299 PolarHBondContact O-N 2.87Å; I297-N300 PolarHBondContact O-N 3.44Å; I297-H313 HydrophobicContact CG2-CB 3.87Å; I297-E315 HydrophobicContact CD1-CB 4.19Å; I297-E315 HydrophobicContact CD1-CG 4.15Å; I297-E315 WeakPolarHBondContact CD1-OE2 3.4Å; I297-E315 HydrophobicContact CG1-CB 3.98Å; I297-E315 HydrophobicContact CG1-CG 4.03Å; I297-E315 HydrophobicContact CG2-CB 4.46Å; I297-H326 HydrophobicContact CG2-CB 4.08Å
298	R	88	Confident	80.7	Confident	31 Å²	31	65 Å²	65	12%	0.117	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.8	179.8	-69.5	-179.7	-174.6	-123.8	21.3	114.4	F289 E294 H313 Y328 D330 E331	F289-R298 HydrophobicContact CE1-CB 4.29Å; E294-R298 HydrophobicContact CG-CG 4.36Å; E294-R298 WeakPolarHBondContact O-CB 3.32Å; E294-R298 PolarHBondContact O-N 3.14Å; E294-R298 IonicContact OE1-CZ 2.78Å; E294-R298 VanDerWaalsContact OE1-CZ 3.28Å; E294-R298 IonicContact OE1-NE 2.8Å; E294-R298 PolarHBondContact OE1-NE 3.1Å; E294-R298 IonicContact OE1-NH2 3.96Å; E294-R298 PolarHBondContact OE1-NH2 3.26Å; R298-H313 WeakPolarHBondContact CA-ND1 3.12Å; R298-H313 PolarHBondContact O-CE1 3.05Å; R298-H313 PolarHBondContact O-ND1 2.73Å; R298-Y328 HydrophobicContact CG-CD2 3.78Å; R298-Y328 HydrophobicContact CG-CE1 4.42Å; R298-Y328 HydrophobicContact CG-CE2 3.34Å; R298-Y328 HydrophobicContact CG-CG 4.5Å; R298-Y328 VanDerWaalsContact NH2-CD1 3.31Å; R298-D330 IonicContact CZ-OD1 3.69Å; R298-D330 IonicContact CZ-OD2 3.33Å; R298-D330 IonicContact NH1-OD1 2.87Å; R298-D330 PolarHBondContact NH1-OD1 2.97Å; R298-D330 IonicContact NH1-OD2 3.76Å; R298-D330 PolarHBondContact NH1-OD2 2.82Å; R298-D330 IonicContact NH2-OD1 3.29Å; R298-D330 PolarHBondContact NH2-OD1 2.99Å; R298-D330 IonicContact NH2-OD2 2.68Å; R298-D330 PolarHBondContact NH2-OD2 3.39Å; R298-E331 WeakPolarHBondContact CD-OE1 3.4Å; R298-E331 IonicContact CZ-OE1 2.62Å; R298-E331 IonicContact NE-OE1 2.7Å; R298-E331 VanDerWaalsContact NH1-CD 3.32Å; R298-E331 IonicContact NH1-OE1 2.77Å; R298-E331 PolarHBondContact NH1-OE1 2.76Å
299	R	82.7	Confident	81.9	Confident	130 Å²	130	63.2 Å²	63.2	49%	0.491	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-22.4	172.9	-171.3	172.3	-170.4	138.1	10	113.3	H295 I297 F301	H295-R299 WeakPolarHBondContact O-CB 3.48Å; H295-R299 PolarHBondContact O-N 2.97Å; I297-R299 PolarHBondContact O-N 2.87Å; R299-F301 PolarHBondContact O-N 3.26Å
300	N	82.6	Confident	82.7	Confident	89 Å²	89	65.8 Å²	65.8	48%	0.476	34%	0.343	S	S	.	.			trans	-101.2	64.1	-175.4	-66.9	-20.7	0	0	0	110.6	S296 I297 E314	S296-N300 PolarHBondContact O-ND2 3.37Å; I297-N300 PolarHBondContact O-N 3.44Å; N300-E314 PolarHBondContact O-N 2.86Å
301	F	82	Confident	83.9	Confident	94 Å²	94	63.9 Å²	63.9	41%	0.412	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-71.7	139	176.3	61.5	-91.8	0	0	0	111.8	R299 I312	R299-F301 PolarHBondContact O-N 3.26Å; F301-I312 CarbonylContact C-O 3.58Å; F301-I312 WeakPolarHBondContact CA-O 3.18Å
302	L	82.4	Confident	84.9	Confident	36 Å²	36	60.3 Å²	60.3	19%	0.188	31%	0.31	C	S	.	.			trans	-79	126.3	-175.9	-173.7	66.8	0	0	0	110.4	T304 S309 I312 L325 L350	L302-T304 HydrophobicContact CB-CG2 4.31Å; L302-T304 HydrophobicContact CD2-CG2 3.66Å; L302-T304 HydrophobicContact CG-CG2 3.84Å; L302-T304 PolarHBondContact O-N 3.19Å; L302-S309 WeakPolarHBondContact O-CA 3.45Å; L302-S309 WeakPolarHBondContact O-CB 3.48Å; L302-S309 PolarHBondContact O-OG 3.41Å; L302-I312 HydrophobicContact CB-CB 4.46Å; L302-I312 HydrophobicContact CB-CG2 4.15Å; L302-I312 HydrophobicContact CD2-CG2 4.18Å; L302-I312 PolarHBondContact N-O 3.27Å; L302-L325 HydrophobicContact CD2-CD1 4.47Å; L302-L350 HydrophobicContact CD2-CD1 4.12Å; L302-L350 HydrophobicContact CD2-CD2 4.39Å
303	K	78.9	Confident	85.6	Confident	180 Å²	180	58 Å²	58	78%	0.783	30%	0.3	S	S	*	.			trans	-81.2	65.7	179.7	-64.9	-179.7	-178.2	175.1	0	111.8	G305	K303-G305 PolarHBondContact O-N 2.84Å
304	T	76.3	Confident	86.2	Confident	43 Å²	43	56.3 Å²	56.3	26%	0.264	29%	0.292	S	S	.	.			trans	-65.1	-18.7	176.4	63.6	0	0	0	0	113.1	L302 T306 S309 I312 E346 L350	L302-T304 HydrophobicContact CB-CG2 4.31Å; L302-T304 HydrophobicContact CD2-CG2 3.66Å; L302-T304 HydrophobicContact CG-CG2 3.84Å; L302-T304 PolarHBondContact O-N 3.19Å; T304-T306 VanDerWaalsContact C-N 3.27Å; T304-T306 PolarHBondContact OG1-OG1 3.41Å; T304-T306 VanDerWaalsContact OG1-OG1 3.14Å; T304-S309 PolarHBondContact N-OG 3.01Å; T304-S309 VanDerWaalsContact N-OG 3.1Å; T304-S309 PolarHBondContact OG1-OG 3.16Å; T304-I312 HydrophobicContact CG2-CD1 4.37Å; T304-E346 WeakPolarHBondContact CB-OE1 3.23Å; T304-E346 WeakPolarHBondContact CG2-OE1 3.47Å; T304-E346 PolarHBondContact OG1-OE1 3.11Å; T304-L350 HydrophobicContact CG2-CD1 3.78Å
305	G	79	Confident	86.8	Confident	78 Å²	78	55.7 Å²	55.7	80%	0.804	29%	0.289	S	S	*	.	S	Bend	trans	83.9	2.6	-179.4	0	0	0	0	0	113.6	K303 S309	K303-G305 PolarHBondContact O-N 2.84Å; G305-S309 PolarHBondContact N-OG 3.32Å
306	T	85.8	Confident	87.3	Confident	59 Å²	59	60.9 Å²	60.9	36%	0.362	31%	0.313	S	S	.	.	S	Bend	trans	-95.6	174	175.3	78.6	0	0	0	0	110.5	T304 F308 S309 E346	T304-T306 VanDerWaalsContact C-N 3.27Å; T304-T306 PolarHBondContact OG1-OG1 3.41Å; T304-T306 VanDerWaalsContact OG1-OG1 3.14Å; T306-F308 PolarHBondContact O-N 3.43Å; T306-F308 PolarHBondContact OG1-N 2.76Å; T306-S309 PolarHBondContact N-OG 2.83Å; T306-S309 PolarHBondContact O-OG 3.48Å; T306-E346 VanDerWaalsContact CB-OE2 3.23Å; T306-E346 WeakPolarHBondContact CB-OE2 3.26Å; T306-E346 WeakPolarHBondContact CG2-OE1 3.42Å; T306-E346 WeakPolarHBondContact CG2-OE2 3.27Å; T306-E346 PolarHBondContact OG1-OE1 3.18Å; T306-E346 PolarHBondContact OG1-OE2 2.99Å
307	K	87.1	Confident	87.8	Confident	117 Å²	117	59 Å²	59	51%	0.509	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.8	171.4	68.4	173.4	-175.6	175.9	0	113.6	E339	K307-E339 IonicContact NZ-OE1 3.45Å; K307-E339 PolarHBondContact NZ-OE1 2.87Å
308	F	91.1	Very high	88	Confident	11 Å²	11	63.4 Å²	63.4	5%	0.048	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-12.2	-175.3	-63.5	-52.4	0	0	0	113.7	T306 N310 F311 L335 E339 R342 F343 E346	T306-F308 PolarHBondContact O-N 3.43Å; T306-F308 PolarHBondContact OG1-N 2.76Å; F308-N310 PolarHBondContact O-N 2.94Å; F308-F311 PolarHBondContact O-N 2.84Å; F308-L335 HydrophobicContact CD1-CD1 4.35Å; F308-L335 HydrophobicContact CD1-CD2 4.43Å; F308-L335 HydrophobicContact CE1-CD1 4.18Å; F308-L335 HydrophobicContact CE1-CD2 4.14Å; F308-E339 HydrophobicContact CE1-CB 4.1Å; F308-E339 HydrophobicContact CZ-CB 4.17Å; F308-E339 VanDerWaalsContact CZ-O 3.26Å; F308-E339 WeakPolarHBondContact CZ-O 3.18Å; F308-R342 HydrophobicContact CE2-CB 3.72Å; F308-R342 HydrophobicContact CZ-CB 3.92Å; F308-F343 HydrophobicContact CB-CD2 3.85Å; F308-F343 HydrophobicContact CB-CE2 4.4Å; F308-F343 HydrophobicContact CD1-CB 4.02Å; F308-F343 AromaticContact CD1-CD2 3.92Å; F308-F343 HydrophobicContact CD1-CD2 3.92Å; F308-F343 HydrophobicContact CD1-CG 4.49Å; F308-F343 HydrophobicContact CE1-CB 4.02Å; F308-F343 HydrophobicContact CG-CB 4.28Å; F308-F343 AromaticContact CG-CD2 3.97Å; F308-F343 HydrophobicContact CG-CD2 3.97Å; F308-F343 HydrophobicContact CZ-CB 4.26Å; F308-E346 WeakPolarHBondContact CD2-OE2 3.5Å
309	S	88.2	Confident	88.4	Confident	11 Å²	11	65.9 Å²	65.9	8%	0.077	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-42.6	-38.8	178.6	-66.9	0	0	0	0	114.7	L302 T304 G305 T306 F311 I312	L302-S309 WeakPolarHBondContact O-CA 3.45Å; L302-S309 WeakPolarHBondContact O-CB 3.48Å; L302-S309 PolarHBondContact O-OG 3.41Å; T304-S309 PolarHBondContact N-OG 3.01Å; T304-S309 VanDerWaalsContact N-OG 3.1Å; T304-S309 PolarHBondContact OG1-OG 3.16Å; G305-S309 PolarHBondContact N-OG 3.32Å; T306-S309 PolarHBondContact N-OG 2.83Å; T306-S309 PolarHBondContact O-OG 3.48Å; S309-F311 VanDerWaalsContact C-N 3.25Å; S309-F311 PolarHBondContact O-N 2.87Å; S309-I312 PolarHBondContact O-N 2.82Å
310	N	88.1	Confident	89	Confident	89 Å²	89	59.7 Å²	59.7	48%	0.476	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-72.1	-12.8	-176.5	-61.4	-28.2	0	0	0	114.7	F308 H313	F308-N310 PolarHBondContact O-N 2.94Å; N310-H313 PolarHBondContact O-CE1 2.88Å
311	F	92.9	Very high	89.7	Confident	42 Å²	42	56 Å²	56	18%	0.184	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-106.5	-0.6	-178.3	-58.3	-76.5	0	0	0	112.9	F308 S309 E331 L332 L335 F343	F308-F311 PolarHBondContact O-N 2.84Å; S309-F311 VanDerWaalsContact C-N 3.25Å; S309-F311 PolarHBondContact O-N 2.87Å; F311-E331 HydrophobicContact CD1-CB 3.84Å; F311-E331 HydrophobicContact CE1-CB 4.21Å; F311-E331 WeakPolarHBondContact CE1-O 3.43Å; F311-L332 HydrophobicContact CB-CD2 3.81Å; F311-L332 HydrophobicContact CD1-CD2 4.31Å; F311-L332 HydrophobicContact CG-CD2 4.18Å; F311-L335 HydrophobicContact CD2-CD2 4.43Å; F311-L335 HydrophobicContact CE2-CD2 3.81Å; F311-L335 HydrophobicContact CZ-CD2 4.02Å; F311-F343 HydrophobicContact CB-CD2 4.28Å; F311-F343 HydrophobicContact CB-CE2 3.63Å; F311-F343 HydrophobicContact CB-CZ 4.32Å
312	I	95.3	Very high	90.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.285	C	S	.	.			trans	-113.6	114.1	-178.5	-54.8	-176.7	0	0	0	107	F301 L302 T304 S309 L325 F343 E346 F347 L350	F301-I312 CarbonylContact C-O 3.58Å; F301-I312 WeakPolarHBondContact CA-O 3.18Å; L302-I312 HydrophobicContact CB-CB 4.46Å; L302-I312 HydrophobicContact CB-CG2 4.15Å; L302-I312 HydrophobicContact CD2-CG2 4.18Å; L302-I312 PolarHBondContact N-O 3.27Å; T304-I312 HydrophobicContact CG2-CD1 4.37Å; S309-I312 PolarHBondContact O-N 2.82Å; I312-L325 HydrophobicContact CG2-CD1 3.5Å; I312-L325 HydrophobicContact CG2-CD2 4.36Å; I312-L325 HydrophobicContact CG2-CG 4.09Å; I312-F343 HydrophobicContact CD1-CE2 4.11Å; I312-F343 HydrophobicContact CG1-CE2 3.55Å; I312-F343 HydrophobicContact CG1-CZ 3.96Å; I312-E346 HydrophobicContact CD1-CG 4.19Å; I312-F347 HydrophobicContact CG1-CD2 4.41Å; I312-F347 HydrophobicContact CG2-CD2 4.42Å; I312-L350 HydrophobicContact CD1-CD1 3.84Å; I312-L350 HydrophobicContact CG2-CD1 4.29Å
313	H	95.3	Very high	91.1	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.5	-174	-52.6	-78.1	0	0	0	110.8	I297 R298 N310 H326 Y328 E331	I297-H313 HydrophobicContact CG2-CB 3.87Å; R298-H313 WeakPolarHBondContact CA-ND1 3.12Å; R298-H313 PolarHBondContact O-CE1 3.05Å; R298-H313 PolarHBondContact O-ND1 2.73Å; N310-H313 PolarHBondContact O-CE1 2.88Å; H313-H326 HydrophobicContact CB-CB 4.28Å; H313-H326 PolarHBondContact N-O 2.8Å; H313-H326 PolarHBondContact O-N 3.44Å; H313-Y328 AromaticContact CD2-CD2 3.66Å; H313-Y328 AromaticContact CD2-CE2 3.68Å; H313-E331 IonicContact CD2-OE2 3.21Å; H313-E331 IonicContact CE1-OE2 3.78Å; H313-E331 IonicContact NE2-OE1 3.65Å; H313-E331 IonicContact NE2-OE2 3.5Å; H313-E331 PolarHBondContact NE2-OE2 3.14Å
314	E	94.3	Very high	92	Very high	60 Å²	60	43.3 Å²	43.3	28%	0.28	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.9	-179.4	-176.5	177.9	-108.9	0	0	110.5	N300 L323 Y362	N300-E314 PolarHBondContact O-N 2.86Å; E314-L323 HydrophobicContact CG-CD2 4.19Å; E314-Y362 HydrophobicContact CG-CE1 4.31Å
315	E	95.3	Very high	93.1	Very high	15 Å²	15	41.3 Å²	41.3	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.8	167.1	-174.9	173.6	-161.7	0	0	110	Q293 I297 L323 V324 H326 I620	Q293-E315 PolarHBondContact NE2-OE1 2.91Å; I297-E315 HydrophobicContact CD1-CB 4.19Å; I297-E315 HydrophobicContact CD1-CG 4.15Å; I297-E315 WeakPolarHBondContact CD1-OE2 3.4Å; I297-E315 HydrophobicContact CG1-CB 3.98Å; I297-E315 HydrophobicContact CG1-CG 4.03Å; I297-E315 HydrophobicContact CG2-CB 4.46Å; E315-L323 CarbonylContact O-C 3.55Å; E315-L323 WeakPolarHBondContact O-CA 3.26Å; E315-V324 HydrophobicContact CB-CB 4.37Å; E315-V324 PolarHBondContact N-O 3.2Å; E315-V324 PolarHBondContact O-N 2.99Å; E315-H326 WeakPolarHBondContact CB-NE2 3.37Å; E315-H326 IonicContact OE2-CE1 2.95Å; E315-H326 IonicContact OE2-NE2 3.18Å; E315-H326 PolarHBondContact OE2-NE2 2.84Å; E315-I620 VanDerWaalsContact OE2-CD1 3.26Å; E315-I620 WeakPolarHBondContact OE2-CD1 3.22Å
316	H	94.4	Very high	93.9	Very high	124 Å²	124	37.7 Å²	37.7	57%	0.574	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	108	161.5	-177	179.5	0	0	0	108.5	S318 G321 L323	H316-S318 PolarHBondContact O-N 3Å; H316-G321 WeakPolarHBondContact NE2-CA 3.37Å; H316-L323 HydrophobicContact CB-CD2 3.92Å
317	Q	95.1	Very high	94.5	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.065	18%	0.183	C	C	.	.			trans	-65.6	124.2	-172.8	-154	-83.1	-1.3	0	0	111.3	N319 G321 A322 A618 I620	Q317-N319 PolarHBondContact O-N 3.38Å; Q317-G321 VanDerWaalsContact O-CA 3.23Å; Q317-G321 WeakPolarHBondContact O-CA 3.38Å; Q317-G321 PolarHBondContact O-N 3.43Å; Q317-A322 PolarHBondContact N-O 3.11Å; Q317-A618 HydrophobicContact CB-CB 4.11Å; Q317-A618 HydrophobicContact CG-CB 4.23Å; Q317-I620 HydrophobicContact CG-CD1 4.48Å
318	S	93.2	Very high	94.9	Very high	105 Å²	105	29.9 Å²	29.9	73%	0.734	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.5	-162.4	52.3	0	0	0	0	116.6	H316	H316-S318 PolarHBondContact O-N 3Å
319	N	95.8	Very high	95	Very high	84 Å²	84	32.4 Å²	32.4	45%	0.449	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-50.4	-178.6	-69.5	3.1	0	0	0	111.5	Q317 R611	Q317-N319 PolarHBondContact O-N 3.38Å; N319-R611 WeakPolarHBondContact O-CG 3.19Å; N319-R611 PolarHBondContact O-NE 3.5Å; N319-R611 VanDerWaalsContact O-NE 3.14Å
320	G	96.4	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-24.2	-174.2	0	0	0	0	0	114	A322 R611 R616 Y617	G320-A322 PolarHBondContact O-N 3.27Å; G320-R611 PolarHBondContact O-NE 2.85Å; G320-R611 VanDerWaalsContact O-NE 3.12Å; G320-R611 PolarHBondContact O-NH1 3.1Å; G320-R616 WeakPolarHBondContact O-CA 3.25Å; G320-Y617 CarbonylContact C-O 3.59Å; G320-Y617 VanDerWaalsContact CA-CE1 3.41Å; G320-Y617 WeakPolarHBondContact CA-O 3.23Å; G320-Y617 PolarHBondContact O-N 3.1Å
321	G	96.4	Very high	95.4	Very high	10 Å²	10	29.8 Å²	29.8	10%	0.103	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	72	21	171.9	0	0	0	0	0	116.3	H316 Q317 Y617	H316-G321 WeakPolarHBondContact NE2-CA 3.37Å; Q317-G321 VanDerWaalsContact O-CA 3.23Å; Q317-G321 WeakPolarHBondContact O-CA 3.38Å; Q317-G321 PolarHBondContact O-N 3.43Å; G321-Y617 PolarHBondContact N-O 3.45Å
322	A	97.7	Very high	95.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.15	C	C	.	.			trans	-87.2	157.1	163.8	0	0	0	0	0	110.8	Q317 G320 A363 H575 R616 Y617 A618	Q317-A322 PolarHBondContact N-O 3.11Å; G320-A322 PolarHBondContact O-N 3.27Å; A322-A363 HydrophobicContact CB-CB 3.94Å; A322-H575 HydrophobicContact CB-CB 4.22Å; A322-R616 HydrophobicContact CB-CB 4.17Å; A322-Y617 WeakPolarHBondContact CB-O 2.98Å; A322-Y617 PolarHBondContact N-O 2.99Å; A322-A618 HydrophobicContact CB-CB 4.18Å
323	L	97.3	Very high	95.3	Very high	44 Å²	44	31.2 Å²	31.2	23%	0.23	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.8	176.2	-58.4	175.4	0	0	0	110.9	E314 E315 H316 Y362 A363	E314-L323 HydrophobicContact CG-CD2 4.19Å; E315-L323 CarbonylContact O-C 3.55Å; E315-L323 WeakPolarHBondContact O-CA 3.26Å; H316-L323 HydrophobicContact CB-CD2 3.92Å; L323-Y362 HydrophobicContact CB-CD1 3.78Å; L323-Y362 HydrophobicContact CB-CE1 4.17Å; L323-A363 PolarHBondContact O-N 2.89Å
324	V	98.1	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.7	174.2	179.5	0	0	0	0	109	E315 H326 L364 I366 A618 I620	E315-V324 HydrophobicContact CB-CB 4.37Å; E315-V324 PolarHBondContact N-O 3.2Å; E315-V324 PolarHBondContact O-N 2.99Å; V324-H326 VanDerWaalsContact CG1-NE2 3.29Å; V324-H326 WeakPolarHBondContact CG1-NE2 3.32Å; V324-L364 WeakPolarHBondContact CA-O 3.42Å; V324-L364 HydrophobicContact CG1-CB 4.1Å; V324-L364 WeakPolarHBondContact CG1-O 3.42Å; V324-L364 HydrophobicContact CG2-CB 4.27Å; V324-I366 HydrophobicContact CG1-CD1 4.26Å; V324-A618 HydrophobicContact CG2-CB 3.42Å; V324-A618 VanDerWaalsContact CG2-CB 3.42Å; V324-I620 HydrophobicContact CB-CD1 4.36Å; V324-I620 HydrophobicContact CG1-CD1 4.36Å; V324-I620 HydrophobicContact CG1-CG1 4.33Å; V324-I620 HydrophobicContact CG2-CD1 3.91Å; V324-I620 HydrophobicContact CG2-CG1 3.96Å
325	L	97.6	Very high	95	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.2	-178.9	-162	68.3	0	0	0	110.3	L302 I312 F347 L350 Y362 L364 A365 I366	L302-L325 HydrophobicContact CD2-CD1 4.47Å; I312-L325 HydrophobicContact CG2-CD1 3.5Å; I312-L325 HydrophobicContact CG2-CD2 4.36Å; I312-L325 HydrophobicContact CG2-CG 4.09Å; L325-F347 HydrophobicContact CB-CZ 4.49Å; L325-F347 HydrophobicContact CD2-CD2 3.93Å; L325-F347 HydrophobicContact CD2-CE2 3.69Å; L325-F347 HydrophobicContact CD2-CG 4.45Å; L325-F347 HydrophobicContact CD2-CZ 4.01Å; L325-F347 HydrophobicContact CG-CD2 4.34Å; L325-F347 HydrophobicContact CG-CE2 3.71Å; L325-F347 HydrophobicContact CG-CZ 4.1Å; L325-L350 HydrophobicContact CD2-CB 3.91Å; L325-Y362 HydrophobicContact CB-CD1 3.95Å; L325-Y362 HydrophobicContact CB-CE1 4.22Å; L325-Y362 HydrophobicContact CB-CG 4.17Å; L325-Y362 HydrophobicContact CD1-CD1 4.4Å; L325-Y362 HydrophobicContact CD1-CE1 3.81Å; L325-Y362 HydrophobicContact CD1-CE2 4.45Å; L325-L364 PolarHBondContact N-O 3.41Å; L325-A365 HydrophobicContact CB-CB 3.88Å; L325-A365 CarbonylContact O-C 3.51Å; L325-A365 VanDerWaalsContact O-CA 3.26Å; L325-A365 WeakPolarHBondContact O-CA 3.27Å; L325-I366 PolarHBondContact O-N 3.43Å
326	H	97.6	Very high	95	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.9	-179.2	-59.6	-104.2	0	0	0	111.4	I297 H313 E315 V324 Y328 I366 H368	I297-H326 HydrophobicContact CG2-CB 4.08Å; H313-H326 HydrophobicContact CB-CB 4.28Å; H313-H326 PolarHBondContact N-O 2.8Å; H313-H326 PolarHBondContact O-N 3.44Å; E315-H326 WeakPolarHBondContact CB-NE2 3.37Å; E315-H326 IonicContact OE2-CE1 2.95Å; E315-H326 IonicContact OE2-NE2 3.18Å; E315-H326 PolarHBondContact OE2-NE2 2.84Å; V324-H326 VanDerWaalsContact CG1-NE2 3.29Å; V324-H326 WeakPolarHBondContact CG1-NE2 3.32Å; H326-Y328 HydrophobicContact CB-CE2 3.96Å; H326-I366 CarbonylContact C-O 3.49Å; H326-I366 WeakPolarHBondContact CA-O 3.33Å; H326-H368 AromaticContact CE1-NE2 3.85Å; H326-H368 AromaticContact ND1-CD2 3.84Å; H326-H368 AromaticContact ND1-NE2 3Å; H326-H368 PolarHBondContact ND1-NE2 3.01Å
327	A	97.1	Very high	95	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.9	159.9	0	0	0	0	0	108.9	L332 F343 F347 I366 V367 H368	A327-L332 HydrophobicContact CB-CD1 4.14Å; A327-F343 HydrophobicContact CB-CE1 4.12Å; A327-F343 HydrophobicContact CB-CZ 3.75Å; A327-F347 HydrophobicContact CB-CD2 4.01Å; A327-F347 HydrophobicContact CB-CE2 3.61Å; A327-F347 HydrophobicContact CB-CZ 4.22Å; A327-I366 PolarHBondContact N-O 3.32Å; A327-V367 HydrophobicContact CB-CG1 4.18Å; A327-V367 HydrophobicContact CB-CG2 4.4Å; A327-V367 CarbonylContact O-C 3.53Å; A327-V367 WeakPolarHBondContact O-CA 3.42Å; A327-H368 PolarHBondContact O-N 3.12Å
328	Y	95.1	Very high	95.1	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125	-174	-60.8	-95	0	0	0	110.8	E294 R298 H313 H326 D330 E331 L332 H368	E294-Y328 HydrophobicContact CG-CE1 4.21Å; R298-Y328 HydrophobicContact CG-CD2 3.78Å; R298-Y328 HydrophobicContact CG-CE1 4.42Å; R298-Y328 HydrophobicContact CG-CE2 3.34Å; R298-Y328 HydrophobicContact CG-CG 4.5Å; R298-Y328 VanDerWaalsContact NH2-CD1 3.31Å; H313-Y328 AromaticContact CD2-CD2 3.66Å; H313-Y328 AromaticContact CD2-CE2 3.68Å; H326-Y328 HydrophobicContact CB-CE2 3.96Å; Y328-D330 WeakPolarHBondContact CB-OD1 3.22Å; Y328-D330 PolarHBondContact O-N 3.39Å; Y328-E331 PolarHBondContact O-N 3Å; Y328-L332 WeakPolarHBondContact O-CG 3.2Å; Y328-L332 PolarHBondContact O-N 3.22Å; Y328-H368 HydrophobicContact CD1-CB 3.65Å; Y328-H368 AromaticContact CD1-CD2 3.59Å; Y328-H368 AromaticContact CD1-CG 3.89Å; Y328-H368 HydrophobicContact CE1-CB 4.11Å; Y328-H368 AromaticContact CE1-CD2 3.22Å; Y328-H368 WeakPolarHBondContact CE1-CD2 3.19Å; Y328-H368 AromaticContact CE1-CG 3.82Å; Y328-H368 AromaticContact CE1-NE2 3.96Å; Y328-H368 HydrophobicContact CG-CB 4.41Å; Y328-H368 AromaticContact CZ-CD2 3.68Å
329	M	94.5	Very high	95.2	Very high	64 Å²	64	38 Å²	38	32%	0.315	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-23.4	-173.7	-167.4	63.5	-159.2	0	0	113.1	L332 S333 M340 H368	M329-L332 HydrophobicContact SD-CB 4.24Å; M329-S333 WeakPolarHBondContact O-CB 3.38Å; M329-S333 PolarHBondContact O-N 3.37Å; M329-M340 HydrophobicContact CE-CE 3.71Å; M329-M340 HydrophobicContact SD-CE 4.3Å; M329-H368 VanDerWaalsContact CB-O 3.22Å; M329-H368 WeakPolarHBondContact CB-O 3.36Å; M329-H368 PolarHBondContact N-O 3.43Å
330	D	91.4	Very high	95.2	Very high	42 Å²	42	35.1 Å²	35.1	23%	0.225	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-41.7	171.6	60.9	-8.5	0	0	0	111.6	T287 R298 Y328 S333 F334	T287-D330 PolarHBondContact OG1-OD2 3.17Å; R298-D330 IonicContact CZ-OD1 3.69Å; R298-D330 IonicContact CZ-OD2 3.33Å; R298-D330 IonicContact NH1-OD1 2.87Å; R298-D330 PolarHBondContact NH1-OD1 2.97Å; R298-D330 IonicContact NH1-OD2 3.76Å; R298-D330 PolarHBondContact NH1-OD2 2.82Å; R298-D330 IonicContact NH2-OD1 3.29Å; R298-D330 PolarHBondContact NH2-OD1 2.99Å; R298-D330 IonicContact NH2-OD2 2.68Å; R298-D330 PolarHBondContact NH2-OD2 3.39Å; Y328-D330 WeakPolarHBondContact CB-OD1 3.22Å; Y328-D330 PolarHBondContact O-N 3.39Å; D330-S333 PolarHBondContact O-OG 3.15Å; D330-F334 WeakPolarHBondContact O-CD2 3.38Å; D330-F334 VanDerWaalsContact O-CE2 3.32Å; D330-F334 WeakPolarHBondContact O-CE2 3.22Å
331	E	92.7	Very high	95.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.019	22%	0.216	C	C	.	.	H	α-helix	trans	-73.1	-40.7	173.9	-55.8	174.9	179.1	0	0	112.4	V281 V285 R298 F311 H313 Y328 S333 F334	V281-E331 HydrophobicContact CG1-CG 4.28Å; V285-E331 HydrophobicContact CG2-CG 4.48Å; R298-E331 WeakPolarHBondContact CD-OE1 3.4Å; R298-E331 IonicContact CZ-OE1 2.62Å; R298-E331 IonicContact NE-OE1 2.7Å; R298-E331 VanDerWaalsContact NH1-CD 3.32Å; R298-E331 IonicContact NH1-OE1 2.77Å; R298-E331 PolarHBondContact NH1-OE1 2.76Å; F311-E331 HydrophobicContact CD1-CB 3.84Å; F311-E331 HydrophobicContact CE1-CB 4.21Å; F311-E331 WeakPolarHBondContact CE1-O 3.43Å; H313-E331 IonicContact CD2-OE2 3.21Å; H313-E331 IonicContact CE1-OE2 3.78Å; H313-E331 IonicContact NE2-OE1 3.65Å; H313-E331 IonicContact NE2-OE2 3.5Å; H313-E331 PolarHBondContact NE2-OE2 3.14Å; Y328-E331 PolarHBondContact O-N 3Å; E331-S333 VanDerWaalsContact C-N 3.26Å; E331-S333 PolarHBondContact O-N 3.32Å; E331-F334 WeakPolarHBondContact O-CD2 3.37Å
332	L	94.1	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-21.9	-179.7	-61	177.3	0	0	0	113.2	F311 A327 Y328 M329 F334 L335 M340 F343 V367 F455	F311-L332 HydrophobicContact CB-CD2 3.81Å; F311-L332 HydrophobicContact CD1-CD2 4.31Å; F311-L332 HydrophobicContact CG-CD2 4.18Å; A327-L332 HydrophobicContact CB-CD1 4.14Å; Y328-L332 WeakPolarHBondContact O-CG 3.2Å; Y328-L332 PolarHBondContact O-N 3.22Å; M329-L332 HydrophobicContact SD-CB 4.24Å; L332-F334 PolarHBondContact O-N 3.26Å; L332-L335 HydrophobicContact CD2-CD1 3.86Å; L332-L335 WeakPolarHBondContact O-CB 3.31Å; L332-L335 PolarHBondContact O-N 2.82Å; L332-M340 HydrophobicContact CB-CE 3.75Å; L332-M340 HydrophobicContact CB-SD 4.01Å; L332-M340 HydrophobicContact CD1-SD 4.29Å; L332-M340 WeakPolarHBondContact O-CE 3.38Å; L332-F343 HydrophobicContact CD1-CD1 4.1Å; L332-F343 HydrophobicContact CD1-CE1 3.63Å; L332-F343 HydrophobicContact CD1-CZ 4.22Å; L332-F343 HydrophobicContact CD2-CD1 3.76Å; L332-F343 HydrophobicContact CD2-CD2 3.88Å; L332-F343 HydrophobicContact CD2-CE1 3.54Å; L332-F343 HydrophobicContact CD2-CE2 3.68Å; L332-F343 HydrophobicContact CD2-CG 3.95Å; L332-F343 HydrophobicContact CD2-CZ 3.51Å; L332-F343 HydrophobicContact CG-CE1 4.24Å; L332-F343 HydrophobicContact CG-CZ 4.47Å; L332-V367 HydrophobicContact CD1-CG1 3.84Å; L332-F455 HydrophobicContact CD1-CE2 4.46Å; L332-F455 HydrophobicContact CD1-CZ 3.94Å
333	S	91.9	Very high	95.3	Very high	71 Å²	71	45.5 Å²	45.5	50%	0.497	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.7	178.6	71.5	0	0	0	0	114.8	M329 D330 E331	M329-S333 WeakPolarHBondContact O-CB 3.38Å; M329-S333 PolarHBondContact O-N 3.37Å; D330-S333 PolarHBondContact O-OG 3.15Å; E331-S333 VanDerWaalsContact C-N 3.26Å; E331-S333 PolarHBondContact O-N 3.32Å
334	F	90	Very high	95.3	Very high	107 Å²	107	43.4 Å²	43.4	47%	0.469	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-11	176.4	-66.9	-92	0	0	0	113.8	Q283 V285 D330 E331 L332	Q283-F334 WeakPolarHBondContact O-CD1 3.33Å; Q283-F334 VanDerWaalsContact O-CE1 3.23Å; Q283-F334 WeakPolarHBondContact O-CE1 3.27Å; V285-F334 HydrophobicContact CG2-CD2 4.04Å; V285-F334 HydrophobicContact CG2-CE2 3.39Å; V285-F334 HydrophobicContact CG2-CZ 4.1Å; D330-F334 WeakPolarHBondContact O-CD2 3.38Å; D330-F334 VanDerWaalsContact O-CE2 3.32Å; D330-F334 WeakPolarHBondContact O-CE2 3.22Å; E331-F334 WeakPolarHBondContact O-CD2 3.37Å; L332-F334 PolarHBondContact O-N 3.26Å
335	L	93.3	Very high	95.3	Very high	23 Å²	23	49 Å²	49	12%	0.12	25%	0.249	C	C	.	.	S	Bend	trans	-78.5	139.2	176	-59.6	-178.2	0	0	0	110.6	F308 F311 L332 E339 F343	F308-L335 HydrophobicContact CD1-CD1 4.35Å; F308-L335 HydrophobicContact CD1-CD2 4.43Å; F308-L335 HydrophobicContact CE1-CD1 4.18Å; F308-L335 HydrophobicContact CE1-CD2 4.14Å; F311-L335 HydrophobicContact CD2-CD2 4.43Å; F311-L335 HydrophobicContact CE2-CD2 3.81Å; F311-L335 HydrophobicContact CZ-CD2 4.02Å; L332-L335 HydrophobicContact CD2-CD1 3.86Å; L332-L335 WeakPolarHBondContact O-CB 3.31Å; L332-L335 PolarHBondContact O-N 2.82Å; L335-E339 HydrophobicContact CB-CB 3.98Å; L335-E339 HydrophobicContact CD2-CB 4.36Å; L335-F343 HydrophobicContact CD1-CB 3.81Å; L335-F343 HydrophobicContact CD1-CD2 4.2Å; L335-F343 HydrophobicContact CD1-CG 3.98Å
336	S	95.4	Very high	95.2	Very high	53 Å²	53	50.7 Å²	50.7	37%	0.371	26%	0.257	S	S	.	.			trans	-65.7	159.2	167.5	65.2	0	0	0	0	111	M338 E339 M340	S336-M338 VanDerWaalsContact C-N 3.3Å; S336-M338 PolarHBondContact O-N 3.42Å; S336-E339 WeakPolarHBondContact CB-OE2 3.38Å; S336-E339 PolarHBondContact N-OE2 3Å; S336-E339 CarbonylContact O-C 3.43Å; S336-E339 WeakPolarHBondContact O-CA 3.49Å; S336-E339 WeakPolarHBondContact O-CB 3.45Å; S336-E339 PolarHBondContact O-N 3.42Å; S336-E339 VanDerWaalsContact OG-CD 3.27Å; S336-E339 VanDerWaalsContact OG-CG 3.25Å; S336-E339 WeakPolarHBondContact OG-CG 3.23Å; S336-E339 PolarHBondContact OG-OE2 3.04Å; S336-M340 PolarHBondContact O-N 2.89Å
337	P	95	Very high	95.2	Very high	109 Å²	109	50.5 Å²	50.5	71%	0.708	26%	0.256	S	S	*	.	H	α-helix	trans	-54.1	-41.5	-177	-29.4	36.3	0	0	0	114.2	E339 M340 E341	P337-E339 VanDerWaalsContact C-N 3.27Å; P337-E339 PolarHBondContact O-N 2.97Å; P337-M340 WeakPolarHBondContact O-CB 3.26Å; P337-M340 PolarHBondContact O-N 3.34Å; P337-E341 PolarHBondContact O-N 2.78Å
338	M	95.9	Very high	95.3	Very high	116 Å²	116	50.6 Å²	50.6	57%	0.571	26%	0.257	S	S	*	.	H	α-helix	trans	-68.3	-25.8	176.6	-164.2	-171.7	-159.3	0	0	112.9	S336 R342	S336-M338 VanDerWaalsContact C-N 3.3Å; S336-M338 PolarHBondContact O-N 3.42Å; M338-R342 WeakPolarHBondContact O-CG 3.47Å; M338-R342 PolarHBondContact O-N 2.77Å
339	E	96.1	Very high	95.4	Very high	57 Å²	57	53 Å²	53	27%	0.266	28%	0.279	S	S	.	.	H	α-helix	trans	-80.4	-35.6	173.8	-69.2	174.9	122.9	0	0	111.7	K307 F308 L335 S336 P337 R342 F343	K307-E339 IonicContact NZ-OE1 3.45Å; K307-E339 PolarHBondContact NZ-OE1 2.87Å; F308-E339 HydrophobicContact CE1-CB 4.1Å; F308-E339 HydrophobicContact CZ-CB 4.17Å; F308-E339 VanDerWaalsContact CZ-O 3.26Å; F308-E339 WeakPolarHBondContact CZ-O 3.18Å; L335-E339 HydrophobicContact CB-CB 3.98Å; L335-E339 HydrophobicContact CD2-CB 4.36Å; S336-E339 WeakPolarHBondContact CB-OE2 3.38Å; S336-E339 PolarHBondContact N-OE2 3Å; S336-E339 CarbonylContact O-C 3.43Å; S336-E339 WeakPolarHBondContact O-CA 3.49Å; S336-E339 WeakPolarHBondContact O-CB 3.45Å; S336-E339 PolarHBondContact O-N 3.42Å; S336-E339 VanDerWaalsContact OG-CD 3.27Å; S336-E339 VanDerWaalsContact OG-CG 3.25Å; S336-E339 WeakPolarHBondContact OG-CG 3.23Å; S336-E339 PolarHBondContact OG-OE2 3.04Å; P337-E339 VanDerWaalsContact C-N 3.27Å; P337-E339 PolarHBondContact O-N 2.97Å; E339-R342 PolarHBondContact O-N 3.19Å; E339-F343 WeakPolarHBondContact O-CB 3.38Å; E339-F343 PolarHBondContact O-N 3.39Å
340	M	96.6	Very high	95.4	Very high	22 Å²	22	51.7 Å²	51.7	11%	0.108	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-42	171.6	-172.8	73.2	71.8	0	0	111.5	M329 L332 S336 P337 F343 S344 P454 F455	M329-M340 HydrophobicContact CE-CE 3.71Å; M329-M340 HydrophobicContact SD-CE 4.3Å; L332-M340 HydrophobicContact CB-CE 3.75Å; L332-M340 HydrophobicContact CB-SD 4.01Å; L332-M340 HydrophobicContact CD1-SD 4.29Å; L332-M340 WeakPolarHBondContact O-CE 3.38Å; S336-M340 PolarHBondContact O-N 2.89Å; P337-M340 WeakPolarHBondContact O-CB 3.26Å; P337-M340 PolarHBondContact O-N 3.34Å; M340-F343 PolarHBondContact O-N 2.8Å; M340-S344 WeakPolarHBondContact O-CB 3.29Å; M340-S344 PolarHBondContact O-N 3.26Å; M340-S344 PolarHBondContact O-OG 3.38Å; M340-P454 HydrophobicContact CG-CG 3.67Å; M340-F455 HydrophobicContact SD-CE2 4.28Å; M340-F455 HydrophobicContact SD-CZ 4.45Å
341	E	96.7	Very high	95.7	Very high	101 Å²	101	49.7 Å²	49.7	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-53.6	174.3	-73.6	-179.9	150.8	0	0	111.2	P337 F343 S344 E345 P454	P337-E341 PolarHBondContact O-N 2.78Å; E341-F343 VanDerWaalsContact C-N 3.34Å; E341-F343 PolarHBondContact O-N 2.98Å; E341-S344 WeakPolarHBondContact O-CB 3.39Å; E341-S344 PolarHBondContact O-N 3.17Å; E341-S344 VanDerWaalsContact O-N 3.11Å; E341-E345 WeakPolarHBondContact O-CG 3.4Å; E341-E345 PolarHBondContact O-N 2.84Å; E341-P454 HydrophobicContact CG-CB 4.34Å
342	R	96.8	Very high	96	Very high	129 Å²	129	49.7 Å²	49.7	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-34.7	178.6	-66.7	178.5	-175.8	-169.7	3	113.6	F308 M338 E339 S344 E345 E346	F308-R342 HydrophobicContact CE2-CB 3.72Å; F308-R342 HydrophobicContact CZ-CB 3.92Å; M338-R342 WeakPolarHBondContact O-CG 3.47Å; M338-R342 PolarHBondContact O-N 2.77Å; E339-R342 PolarHBondContact O-N 3.19Å; R342-S344 VanDerWaalsContact C-N 3.33Å; R342-E345 PolarHBondContact O-N 2.68Å; R342-E346 PolarHBondContact O-N 3.25Å; R342-E346 VanDerWaalsContact O-N 3.1Å
343	F	97.6	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-46.2	171.9	172.9	-88	0	0	0	110.4	F308 F311 I312 A327 L332 L335 E339 M340 E341 E345 E346 F347 F455	F308-F343 HydrophobicContact CB-CD2 3.85Å; F308-F343 HydrophobicContact CB-CE2 4.4Å; F308-F343 HydrophobicContact CD1-CB 4.02Å; F308-F343 AromaticContact CD1-CD2 3.92Å; F308-F343 HydrophobicContact CD1-CD2 3.92Å; F308-F343 HydrophobicContact CD1-CG 4.49Å; F308-F343 HydrophobicContact CE1-CB 4.02Å; F308-F343 HydrophobicContact CG-CB 4.28Å; F308-F343 AromaticContact CG-CD2 3.97Å; F308-F343 HydrophobicContact CG-CD2 3.97Å; F308-F343 HydrophobicContact CZ-CB 4.26Å; F311-F343 HydrophobicContact CB-CD2 4.28Å; F311-F343 HydrophobicContact CB-CE2 3.63Å; F311-F343 HydrophobicContact CB-CZ 4.32Å; I312-F343 HydrophobicContact CD1-CE2 4.11Å; I312-F343 HydrophobicContact CG1-CE2 3.55Å; I312-F343 HydrophobicContact CG1-CZ 3.96Å; A327-F343 HydrophobicContact CB-CE1 4.12Å; A327-F343 HydrophobicContact CB-CZ 3.75Å; L332-F343 HydrophobicContact CD1-CD1 4.1Å; L332-F343 HydrophobicContact CD1-CE1 3.63Å; L332-F343 HydrophobicContact CD1-CZ 4.22Å; L332-F343 HydrophobicContact CD2-CD1 3.76Å; L332-F343 HydrophobicContact CD2-CD2 3.88Å; L332-F343 HydrophobicContact CD2-CE1 3.54Å; L332-F343 HydrophobicContact CD2-CE2 3.68Å; L332-F343 HydrophobicContact CD2-CG 3.95Å; L332-F343 HydrophobicContact CD2-CZ 3.51Å; L332-F343 HydrophobicContact CG-CE1 4.24Å; L332-F343 HydrophobicContact CG-CZ 4.47Å; L335-F343 HydrophobicContact CD1-CB 3.81Å; L335-F343 HydrophobicContact CD1-CD2 4.2Å; L335-F343 HydrophobicContact CD1-CG 3.98Å; E339-F343 WeakPolarHBondContact O-CB 3.38Å; E339-F343 PolarHBondContact O-N 3.39Å; M340-F343 PolarHBondContact O-N 2.8Å; E341-F343 VanDerWaalsContact C-N 3.34Å; E341-F343 PolarHBondContact O-N 2.98Å; F343-E345 VanDerWaalsContact C-N 3.3Å; F343-E345 PolarHBondContact O-N 3.05Å; F343-E346 PolarHBondContact O-N 3.05Å; F343-F347 HydrophobicContact CD1-CB 4.43Å; F343-F347 HydrophobicContact CE1-CB 3.89Å; F343-F347 HydrophobicContact CE1-CD2 4.19Å; F343-F347 HydrophobicContact CE1-CG 4.15Å; F343-F347 HydrophobicContact CZ-CB 4.1Å; F343-F347 AromaticContact CZ-CD2 3.88Å; F343-F347 HydrophobicContact CZ-CD2 3.88Å; F343-F347 HydrophobicContact CZ-CG 4.26Å; F343-F347 VanDerWaalsContact O-CB 3.31Å; F343-F347 WeakPolarHBondContact O-CB 3.46Å; F343-F347 PolarHBondContact O-N 3.18Å; F343-F455 HydrophobicContact CD1-CE1 4Å; F343-F455 AromaticContact CD1-CZ 3.78Å; F343-F455 HydrophobicContact CD1-CZ 3.78Å; F343-F455 AromaticContact CE1-CE1 3.86Å; F343-F455 HydrophobicContact CE1-CE1 3.86Å; F343-F455 AromaticContact CE1-CZ 3.74Å; F343-F455 HydrophobicContact CE1-CZ 3.74Å
344	S	98.1	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-38.3	-179.8	-55.6	0	0	0	0	111	M340 E341 R342 L348 P454 F455	M340-S344 WeakPolarHBondContact O-CB 3.29Å; M340-S344 PolarHBondContact O-N 3.26Å; M340-S344 PolarHBondContact O-OG 3.38Å; E341-S344 WeakPolarHBondContact O-CB 3.39Å; E341-S344 PolarHBondContact O-N 3.17Å; E341-S344 VanDerWaalsContact O-N 3.11Å; R342-S344 VanDerWaalsContact C-N 3.33Å; S344-L348 VanDerWaalsContact O-CB 3.29Å; S344-L348 WeakPolarHBondContact O-CB 3.38Å; S344-L348 WeakPolarHBondContact O-CG 3.41Å; S344-L348 PolarHBondContact O-N 2.72Å; S344-P454 WeakPolarHBondContact OG-CG 3.35Å; S344-F455 WeakPolarHBondContact OG-CE1 3.23Å; S344-F455 WeakPolarHBondContact OG-CZ 3.39Å
345	E	97	Very high	96.4	Very high	117 Å²	117	46 Å²	46	55%	0.547	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-49.7	173.4	-69.7	173.7	157	0	0	111.6	E341 R342 F343 A349 M458	E341-E345 WeakPolarHBondContact O-CG 3.4Å; E341-E345 PolarHBondContact O-N 2.84Å; R342-E345 PolarHBondContact O-N 2.68Å; F343-E345 VanDerWaalsContact C-N 3.3Å; F343-E345 PolarHBondContact O-N 3.05Å; E345-A349 VanDerWaalsContact O-CB 3.25Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 3.35Å; E345-M458 HydrophobicContact CG-CE 4.08Å; E345-M458 HydrophobicContact CG-SD 3.81Å
346	E	96.6	Very high	96.3	Very high	35 Å²	35	54.4 Å²	54.4	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-45.6	178.1	-175.8	176.5	154.3	0	0	111.9	T304 T306 F308 I312 R342 F343 L348 A349 L350	T304-E346 WeakPolarHBondContact CB-OE1 3.23Å; T304-E346 WeakPolarHBondContact CG2-OE1 3.47Å; T304-E346 PolarHBondContact OG1-OE1 3.11Å; T306-E346 VanDerWaalsContact CB-OE2 3.23Å; T306-E346 WeakPolarHBondContact CB-OE2 3.26Å; T306-E346 WeakPolarHBondContact CG2-OE1 3.42Å; T306-E346 WeakPolarHBondContact CG2-OE2 3.27Å; T306-E346 PolarHBondContact OG1-OE1 3.18Å; T306-E346 PolarHBondContact OG1-OE2 2.99Å; F308-E346 WeakPolarHBondContact CD2-OE2 3.5Å; I312-E346 HydrophobicContact CD1-CG 4.19Å; R342-E346 PolarHBondContact O-N 3.25Å; R342-E346 VanDerWaalsContact O-N 3.1Å; F343-E346 PolarHBondContact O-N 3.05Å; E346-L348 PolarHBondContact O-N 3.34Å; E346-A349 PolarHBondContact O-N 2.86Å; E346-L350 HydrophobicContact CG-CD1 4.19Å; E346-L350 WeakPolarHBondContact O-CG 3.33Å; E346-L350 PolarHBondContact O-N 3.5Å
347	F	98.1	Very high	96.1	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-42.8	-179.6	-175	-90.2	0	0	0	112.1	I312 L325 A327 F343 L350 T351 A365 V367 F455 F629	I312-F347 HydrophobicContact CG1-CD2 4.41Å; I312-F347 HydrophobicContact CG2-CD2 4.42Å; L325-F347 HydrophobicContact CB-CZ 4.49Å; L325-F347 HydrophobicContact CD2-CD2 3.93Å; L325-F347 HydrophobicContact CD2-CE2 3.69Å; L325-F347 HydrophobicContact CD2-CG 4.45Å; L325-F347 HydrophobicContact CD2-CZ 4.01Å; L325-F347 HydrophobicContact CG-CD2 4.34Å; L325-F347 HydrophobicContact CG-CE2 3.71Å; L325-F347 HydrophobicContact CG-CZ 4.1Å; A327-F347 HydrophobicContact CB-CD2 4.01Å; A327-F347 HydrophobicContact CB-CE2 3.61Å; A327-F347 HydrophobicContact CB-CZ 4.22Å; F343-F347 HydrophobicContact CD1-CB 4.43Å; F343-F347 HydrophobicContact CE1-CB 3.89Å; F343-F347 HydrophobicContact CE1-CD2 4.19Å; F343-F347 HydrophobicContact CE1-CG 4.15Å; F343-F347 HydrophobicContact CZ-CB 4.1Å; F343-F347 AromaticContact CZ-CD2 3.88Å; F343-F347 HydrophobicContact CZ-CD2 3.88Å; F343-F347 HydrophobicContact CZ-CG 4.26Å; F343-F347 VanDerWaalsContact O-CB 3.31Å; F343-F347 WeakPolarHBondContact O-CB 3.46Å; F343-F347 PolarHBondContact O-N 3.18Å; F347-L350 PolarHBondContact O-N 2.87Å; F347-T351 VanDerWaalsContact O-CB 3.3Å; F347-T351 WeakPolarHBondContact O-CB 3.47Å; F347-T351 PolarHBondContact O-N 2.96Å; F347-T351 PolarHBondContact O-OG1 3.27Å; F347-A365 HydrophobicContact CE1-CB 4.09Å; F347-A365 HydrophobicContact CZ-CB 4.11Å; F347-V367 HydrophobicContact CD1-CG2 4.08Å; F347-V367 HydrophobicContact CE1-CG2 3.54Å; F347-V367 HydrophobicContact CZ-CG2 3.85Å; F347-F455 HydrophobicContact CB-CE1 4.43Å; F347-F455 HydrophobicContact CD1-CD1 4.46Å; F347-F455 HydrophobicContact CD1-CE1 4.19Å; F347-F455 HydrophobicContact CG-CE1 4.45Å; F347-F629 HydrophobicContact CE1-CD2 4.38Å; F347-F629 HydrophobicContact CE1-CE2 4.34Å
348	L	98.1	Very high	95.9	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-73	-35.2	177.9	-68	173.5	0	0	0	112.4	S344 E346 L350 T351 F352 M458 T459 L465 F629	S344-L348 VanDerWaalsContact O-CB 3.29Å; S344-L348 WeakPolarHBondContact O-CB 3.38Å; S344-L348 WeakPolarHBondContact O-CG 3.41Å; S344-L348 PolarHBondContact O-N 2.72Å; E346-L348 PolarHBondContact O-N 3.34Å; L348-L350 VanDerWaalsContact C-N 3.32Å; L348-L350 PolarHBondContact O-N 3.48Å; L348-T351 WeakPolarHBondContact O-CB 3.35Å; L348-T351 PolarHBondContact O-N 3.03Å; L348-F352 HydrophobicContact CD2-CE2 4.04Å; L348-F352 VanDerWaalsContact O-CD2 3.31Å; L348-F352 WeakPolarHBondContact O-CD2 3.49Å; L348-F352 PolarHBondContact O-N 2.87Å; L348-M458 HydrophobicContact CD1-CB 4Å; L348-M458 HydrophobicContact CD1-CE 3.87Å; L348-M458 HydrophobicContact CD1-SD 4.47Å; L348-T459 HydrophobicContact CD1-CG2 3.65Å; L348-T459 HydrophobicContact CD2-CG2 3.8Å; L348-T459 HydrophobicContact CG-CG2 4.35Å; L348-L465 HydrophobicContact CB-CD1 4.12Å; L348-L465 HydrophobicContact CD1-CD1 3.94Å; L348-F629 HydrophobicContact CD2-CD1 3.89Å; L348-F629 HydrophobicContact CD2-CD2 4.44Å; L348-F629 HydrophobicContact CD2-CE1 3.68Å; L348-F629 HydrophobicContact CD2-CE2 4.27Å; L348-F629 HydrophobicContact CD2-CG 4.3Å; L348-F629 HydrophobicContact CD2-CZ 3.9Å
349	A	96.8	Very high	95.8	Very high	61 Å²	61	53.4 Å²	53.4	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-40.9	172.6	0	0	0	0	0	111.7	E345 E346 S353	E345-A349 VanDerWaalsContact O-CB 3.25Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 3.35Å; E346-A349 PolarHBondContact O-N 2.86Å; A349-S353 WeakPolarHBondContact O-CB 3.44Å; A349-S353 PolarHBondContact O-N 2.97Å; A349-S353 VanDerWaalsContact O-N 3.1Å
350	L	96.3	Very high	95.9	Very high	37 Å²	37	50.7 Å²	50.7	19%	0.194	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-48.1	172.6	-71	165.3	0	0	0	111.8	L302 T304 I312 L325 E346 F347 L348 F352 S353 Y362	L302-L350 HydrophobicContact CD2-CD1 4.12Å; L302-L350 HydrophobicContact CD2-CD2 4.39Å; T304-L350 HydrophobicContact CG2-CD1 3.78Å; I312-L350 HydrophobicContact CD1-CD1 3.84Å; I312-L350 HydrophobicContact CG2-CD1 4.29Å; L325-L350 HydrophobicContact CD2-CB 3.91Å; E346-L350 HydrophobicContact CG-CD1 4.19Å; E346-L350 WeakPolarHBondContact O-CG 3.33Å; E346-L350 PolarHBondContact O-N 3.5Å; F347-L350 PolarHBondContact O-N 2.87Å; L348-L350 VanDerWaalsContact C-N 3.32Å; L348-L350 PolarHBondContact O-N 3.48Å; L350-F352 VanDerWaalsContact C-N 3.27Å; L350-F352 PolarHBondContact O-N 3.49Å; L350-S353 WeakPolarHBondContact O-CB 3.25Å; L350-S353 PolarHBondContact O-N 3.1Å; L350-S353 PolarHBondContact O-OG 3.23Å; L350-Y362 HydrophobicContact CB-CE2 4.43Å; L350-Y362 WeakPolarHBondContact O-CD2 3.38Å; L350-Y362 WeakPolarHBondContact O-CE2 3.19Å
351	T	97.6	Very high	95.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-50.2	-46.9	179.4	-67.9	0	0	0	0	112.1	F347 L348 A365 F629 P631	F347-T351 VanDerWaalsContact O-CB 3.3Å; F347-T351 WeakPolarHBondContact O-CB 3.47Å; F347-T351 PolarHBondContact O-N 2.96Å; F347-T351 PolarHBondContact O-OG1 3.27Å; L348-T351 WeakPolarHBondContact O-CB 3.35Å; L348-T351 PolarHBondContact O-N 3.03Å; T351-A365 HydrophobicContact CG2-CB 3.51Å; T351-A365 VanDerWaalsContact OG1-CB 3.27Å; T351-A365 WeakPolarHBondContact OG1-CB 3.2Å; T351-F629 HydrophobicContact CG2-CB 3.62Å; T351-F629 HydrophobicContact CG2-CG 4.21Å; T351-P631 VanDerWaalsContact O-CG 3.32Å; T351-P631 WeakPolarHBondContact O-CG 3.22Å
352	F	97.7	Very high	96	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	11.8	-178.2	-55.6	-61.2	0	0	0	113.7	L348 L350 T459 A548 F629 P631 L653 Q655	L348-F352 HydrophobicContact CD2-CE2 4.04Å; L348-F352 VanDerWaalsContact O-CD2 3.31Å; L348-F352 WeakPolarHBondContact O-CD2 3.49Å; L348-F352 PolarHBondContact O-N 2.87Å; L350-F352 VanDerWaalsContact C-N 3.27Å; L350-F352 PolarHBondContact O-N 3.49Å; F352-T459 HydrophobicContact CE2-CG2 4.14Å; F352-A548 HydrophobicContact CD1-CB 4.18Å; F352-A548 HydrophobicContact CE1-CB 3.73Å; F352-A548 HydrophobicContact CZ-CB 4.45Å; F352-F629 HydrophobicContact CE1-CB 4.26Å; F352-F629 HydrophobicContact CZ-CB 4.06Å; F352-F629 HydrophobicContact CZ-CD1 4.08Å; F352-F629 HydrophobicContact CZ-CG 4.43Å; F352-P631 HydrophobicContact CD1-CB 4.25Å; F352-P631 HydrophobicContact CD1-CG 4.17Å; F352-L653 HydrophobicContact CB-CD1 3.68Å; F352-L653 HydrophobicContact CD1-CD1 3.52Å; F352-L653 HydrophobicContact CD2-CD1 3.61Å; F352-L653 HydrophobicContact CD2-CD2 4.19Å; F352-L653 HydrophobicContact CE1-CD1 3.97Å; F352-L653 HydrophobicContact CE2-CD1 4.03Å; F352-L653 HydrophobicContact CE2-CD2 4.26Å; F352-L653 HydrophobicContact CG-CD1 3.32Å; F352-L653 HydrophobicContact CZ-CD1 4.19Å; F352-Q655 VanDerWaalsContact CB-NE2 3.33Å; F352-Q655 PolarHBondContact O-NE2 3.12Å
353	S	96.1	Very high	96	Very high	31 Å²	31	44.5 Å²	44.5	22%	0.217	22%	0.221	C	C	.	.			trans	-66.1	134.9	176.3	62.4	0	0	0	0	111.2	A349 L350 A360 Y361	A349-S353 WeakPolarHBondContact O-CB 3.44Å; A349-S353 PolarHBondContact O-N 2.97Å; A349-S353 VanDerWaalsContact O-N 3.1Å; L350-S353 WeakPolarHBondContact O-CB 3.25Å; L350-S353 PolarHBondContact O-N 3.1Å; L350-S353 PolarHBondContact O-OG 3.23Å; S353-A360 WeakPolarHBondContact O-CA 3.43Å; S353-Y361 WeakPolarHBondContact O-CD2 3.42Å; S353-Y361 PolarHBondContact O-N 2.96Å; S353-Y361 WeakPolarHBondContact OG-CD2 3.46Å
354	E	95.6	Very high	96.1	Very high	44 Å²	44	44.6 Å²	44.6	21%	0.206	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-114.4	152.7	179.1	-62.7	-171.7	161.4	0	0	111.5	N358 A359 Y361 R632 Y656	E354-N358 WeakPolarHBondContact OE2-CA 3.43Å; E354-A359 CarbonylContact C-O 3.5Å; E354-A359 WeakPolarHBondContact CA-O 3.29Å; E354-Y361 VanDerWaalsContact C-CE2 3.42Å; E354-Y361 WeakPolarHBondContact O-CE2 3.47Å; E354-R632 WeakPolarHBondContact OE1-CG 3.42Å; E354-R632 IonicContact OE1-CZ 3.2Å; E354-R632 IonicContact OE1-NE 3.53Å; E354-R632 PolarHBondContact OE1-NE 3.36Å; E354-R632 IonicContact OE1-NH2 2.75Å; E354-R632 PolarHBondContact OE1-NH2 2.68Å; E354-R632 IonicContact OE2-CZ 3.95Å; E354-R632 IonicContact OE2-NE 3.82Å; E354-R632 IonicContact OE2-NH2 3.65Å; E354-R632 PolarHBondContact OE2-NH2 3.4Å; E354-Y656 HydrophobicContact CG-CE1 4.32Å; E354-Y656 WeakPolarHBondContact OE1-CE1 3.22Å
355	N	93.5	Very high	96.1	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	22%	0.221	C	C	.	.			trans	-84.3	178.5	172.6	75.6	10.8	0	0	0	112.1	K357 N358 A359 Y361 E577	N355-K357 PolarHBondContact O-N 2.68Å; N355-K357 WeakPolarHBondContact OD1-CA 3.5Å; N355-K357 WeakPolarHBondContact OD1-CB 3.31Å; N355-K357 PolarHBondContact OD1-N 3.39Å; N355-N358 PolarHBondContact O-N 3.47Å; N355-A359 PolarHBondContact N-O 2.75Å; N355-A359 PolarHBondContact OD1-N 3.02Å; N355-A359 PolarHBondContact OD1-O 3.14Å; N355-Y361 WeakPolarHBondContact CA-OH 3.34Å; N355-Y361 HydrophobicContact CB-CD1 4.44Å; N355-Y361 HydrophobicContact CB-CE1 3.71Å; N355-Y361 HydrophobicContact CB-CE2 4.05Å; N355-Y361 VanDerWaalsContact CB-CZ 3.49Å; N355-Y361 WeakPolarHBondContact CB-OH 3.3Å; N355-E577 VanDerWaalsContact ND2-CD 3.32Å; N355-E577 PolarHBondContact ND2-OE1 2.94Å
356	E	90.9	Very high	96.2	Very high	200 Å²	200	39 Å²	39	94%	0.935	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-13.3	179.7	-60.5	177.6	175.2	0	0	114.8
357	K	90.6	Very high	96.3	Very high	151 Å²	151	37.3 Å²	37.3	66%	0.657	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	10.2	177.3	-50	178.2	-163.8	151.1	0	113.1	N355 A359 E577	N355-K357 PolarHBondContact O-N 2.68Å; N355-K357 WeakPolarHBondContact OD1-CA 3.5Å; N355-K357 WeakPolarHBondContact OD1-CB 3.31Å; N355-K357 PolarHBondContact OD1-N 3.39Å; K357-A359 VanDerWaalsContact C-N 3.28Å; K357-A359 PolarHBondContact O-N 3.04Å; K357-E577 WeakPolarHBondContact CD-OE1 3.45Å; K357-E577 WeakPolarHBondContact CE-OE1 3.26Å; K357-E577 IonicContact NZ-OE1 3.75Å; K357-E577 PolarHBondContact NZ-OE1 2.91Å
358	N	90.8	Very high	96.2	Very high	102 Å²	102	38.8 Å²	38.8	55%	0.545	19%	0.194	S	C	.	.	S	Bend	trans	58.6	36.1	-172.8	-49.1	-62.8	0	0	0	113.3	E354 N355	E354-N358 WeakPolarHBondContact OE2-CA 3.43Å; N355-N358 PolarHBondContact O-N 3.47Å
359	A	94.9	Very high	96.1	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	21%	0.205	C	C	.	.			trans	-112.9	131	174.3	0	0	0	0	0	110.3	E354 N355 K357 A576 E577	E354-A359 CarbonylContact C-O 3.5Å; E354-A359 WeakPolarHBondContact CA-O 3.29Å; N355-A359 PolarHBondContact N-O 2.75Å; N355-A359 PolarHBondContact OD1-N 3.02Å; N355-A359 PolarHBondContact OD1-O 3.14Å; K357-A359 VanDerWaalsContact C-N 3.28Å; K357-A359 PolarHBondContact O-N 3.04Å; A359-A576 HydrophobicContact CB-CB 4.02Å; A359-E577 HydrophobicContact CB-CB 4.13Å; A359-E577 HydrophobicContact CB-CG 3.37Å
360	A	97.3	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-61.4	139	176.2	0	0	0	0	0	111.9	S353 A576 P631	S353-A360 WeakPolarHBondContact O-CA 3.43Å; A360-A576 HydrophobicContact CB-CB 4.12Å; A360-P631 HydrophobicContact CB-CB 3.4Å; A360-P631 VanDerWaalsContact CB-CB 3.4Å; A360-P631 HydrophobicContact CB-CG 3.9Å
361	Y	96.9	Very high	96.2	Very high	108 Å²	108	35.4 Å²	35.4	42%	0.424	17%	0.174	S	C	.	.	S	Bend	trans	-70.6	-33.2	177.4	-70.9	-79.4	0	0	0	113	S353 E354 N355 H575	S353-Y361 WeakPolarHBondContact O-CD2 3.42Å; S353-Y361 PolarHBondContact O-N 2.96Å; S353-Y361 WeakPolarHBondContact OG-CD2 3.46Å; E354-Y361 VanDerWaalsContact C-CE2 3.42Å; E354-Y361 WeakPolarHBondContact O-CE2 3.47Å; N355-Y361 WeakPolarHBondContact CA-OH 3.34Å; N355-Y361 HydrophobicContact CB-CD1 4.44Å; N355-Y361 HydrophobicContact CB-CE1 3.71Å; N355-Y361 HydrophobicContact CB-CE2 4.05Å; N355-Y361 VanDerWaalsContact CB-CZ 3.49Å; N355-Y361 WeakPolarHBondContact CB-OH 3.3Å; Y361-H575 PolarHBondContact O-NE2 2.81Å
362	Y	98.1	Very high	96.1	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.7	-179.7	-56.4	-79.7	0	0	0	110.2	E314 L323 L325 L350 L364	E314-Y362 HydrophobicContact CG-CE1 4.31Å; L323-Y362 HydrophobicContact CB-CD1 3.78Å; L323-Y362 HydrophobicContact CB-CE1 4.17Å; L325-Y362 HydrophobicContact CB-CD1 3.95Å; L325-Y362 HydrophobicContact CB-CE1 4.22Å; L325-Y362 HydrophobicContact CB-CG 4.17Å; L325-Y362 HydrophobicContact CD1-CD1 4.4Å; L325-Y362 HydrophobicContact CD1-CE1 3.81Å; L325-Y362 HydrophobicContact CD1-CE2 4.45Å; L350-Y362 HydrophobicContact CB-CE2 4.43Å; L350-Y362 WeakPolarHBondContact O-CD2 3.38Å; L350-Y362 WeakPolarHBondContact O-CE2 3.19Å; Y362-L364 VanDerWaalsContact C-N 3.35Å
363	A	98.3	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-17.4	175.6	0	0	0	0	0	112.6	A322 L323 C573 V634	A322-A363 HydrophobicContact CB-CB 3.94Å; L323-A363 PolarHBondContact O-N 2.89Å; A363-C573 HydrophobicContact CB-CB 4Å; A363-C573 WeakPolarHBondContact O-CB 3.29Å; A363-V634 VanDerWaalsContact O-CG1 3.3Å; A363-V634 WeakPolarHBondContact O-CG1 3.25Å
364	L	98.6	Very high	96	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	148.2	178.7	-174.2	68.8	0	0	0	108.2	V324 L325 Y362 I366 I620 L622 Y628 I630	V324-L364 WeakPolarHBondContact CA-O 3.42Å; V324-L364 HydrophobicContact CG1-CB 4.1Å; V324-L364 WeakPolarHBondContact CG1-O 3.42Å; V324-L364 HydrophobicContact CG2-CB 4.27Å; L325-L364 PolarHBondContact N-O 3.41Å; Y362-L364 VanDerWaalsContact C-N 3.35Å; L364-I366 HydrophobicContact CD2-CD1 3.85Å; L364-I366 HydrophobicContact CD2-CG1 4.01Å; L364-I366 HydrophobicContact CG-CD1 4.41Å; L364-I366 HydrophobicContact CG-CG1 4.06Å; L364-I620 HydrophobicContact CD2-CB 4.19Å; L364-I620 HydrophobicContact CD2-CG1 4.19Å; L364-I620 HydrophobicContact CD2-CG2 4.46Å; L364-L622 HydrophobicContact CD2-CD2 4.39Å; L364-Y628 HydrophobicContact CD1-CD2 4.25Å; L364-I630 HydrophobicContact CD1-CD1 4.44Å; L364-I630 HydrophobicContact CD1-CG1 3.66Å
365	A	98.6	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.8	164.3	0	0	0	0	0	110.5	L325 F347 T351 Y628 F629	L325-A365 HydrophobicContact CB-CB 3.88Å; L325-A365 CarbonylContact O-C 3.51Å; L325-A365 VanDerWaalsContact O-CA 3.26Å; L325-A365 WeakPolarHBondContact O-CA 3.27Å; F347-A365 HydrophobicContact CE1-CB 4.09Å; F347-A365 HydrophobicContact CZ-CB 4.11Å; T351-A365 HydrophobicContact CG2-CB 3.51Å; T351-A365 VanDerWaalsContact OG1-CB 3.27Å; T351-A365 WeakPolarHBondContact OG1-CB 3.2Å; A365-Y628 CarbonylContact O-C 3.55Å; A365-Y628 VanDerWaalsContact O-CA 3.28Å; A365-Y628 WeakPolarHBondContact O-CA 3.23Å; A365-F629 HydrophobicContact CB-CB 4.35Å; A365-F629 HydrophobicContact CB-CD2 4.31Å; A365-F629 PolarHBondContact N-O 3.31Å; A365-F629 PolarHBondContact O-N 3.22Å
366	I	98.7	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.6	-174.8	-50.1	161.5	0	0	0	109.8	V324 L325 H326 A327 L364 H368 I620 L622 D626 I627	V324-I366 HydrophobicContact CG1-CD1 4.26Å; L325-I366 PolarHBondContact O-N 3.43Å; H326-I366 CarbonylContact C-O 3.49Å; H326-I366 WeakPolarHBondContact CA-O 3.33Å; A327-I366 PolarHBondContact N-O 3.32Å; L364-I366 HydrophobicContact CD2-CD1 3.85Å; L364-I366 HydrophobicContact CD2-CG1 4.01Å; L364-I366 HydrophobicContact CG-CD1 4.41Å; L364-I366 HydrophobicContact CG-CG1 4.06Å; I366-H368 VanDerWaalsContact CG2-CE1 3.47Å; I366-H368 WeakPolarHBondContact CG2-CE1 3.23Å; I366-I620 HydrophobicContact CD1-CG2 3.55Å; I366-L622 HydrophobicContact CD1-CD2 3.4Å; I366-L622 HydrophobicContact CG1-CD2 3.73Å; I366-L622 HydrophobicContact CG2-CD2 4.19Å; I366-D626 HydrophobicContact CG2-CB 4.16Å; I366-I627 WeakPolarHBondContact CA-O 3.37Å
367	V	98.4	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	102.2	165	-166.8	0	0	0	0	107.7	A327 L332 F347 A370 F455 I627 F629	A327-V367 HydrophobicContact CB-CG1 4.18Å; A327-V367 HydrophobicContact CB-CG2 4.4Å; A327-V367 CarbonylContact O-C 3.53Å; A327-V367 WeakPolarHBondContact O-CA 3.42Å; L332-V367 HydrophobicContact CD1-CG1 3.84Å; F347-V367 HydrophobicContact CD1-CG2 4.08Å; F347-V367 HydrophobicContact CE1-CG2 3.54Å; F347-V367 HydrophobicContact CZ-CG2 3.85Å; V367-A370 HydrophobicContact CB-CB 3.88Å; V367-A370 HydrophobicContact CG1-CB 3.61Å; V367-A370 PolarHBondContact O-N 3.19Å; V367-F455 HydrophobicContact CG1-CE2 4.16Å; V367-F455 HydrophobicContact CG1-CZ 4.03Å; V367-F455 HydrophobicContact CG2-CD1 4.08Å; V367-F455 HydrophobicContact CG2-CE1 3.83Å; V367-F455 HydrophobicContact CG2-CZ 4.1Å; V367-I627 PolarHBondContact N-O 3.12Å; V367-I627 PolarHBondContact O-N 3.22Å; V367-F629 HydrophobicContact CG2-CE2 4.09Å
368	H	96.9	Very high	96.5	Very high	30 Å²	30	24.9 Å²	24.9	14%	0.139	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.6	-173	-68.6	-71.3	0	0	0	111.5	H326 A327 Y328 M329 I366 A370 D626	H326-H368 AromaticContact CE1-NE2 3.85Å; H326-H368 AromaticContact ND1-CD2 3.84Å; H326-H368 AromaticContact ND1-NE2 3Å; H326-H368 PolarHBondContact ND1-NE2 3.01Å; A327-H368 PolarHBondContact O-N 3.12Å; Y328-H368 HydrophobicContact CD1-CB 3.65Å; Y328-H368 AromaticContact CD1-CD2 3.59Å; Y328-H368 AromaticContact CD1-CG 3.89Å; Y328-H368 HydrophobicContact CE1-CB 4.11Å; Y328-H368 AromaticContact CE1-CD2 3.22Å; Y328-H368 WeakPolarHBondContact CE1-CD2 3.19Å; Y328-H368 AromaticContact CE1-CG 3.82Å; Y328-H368 AromaticContact CE1-NE2 3.96Å; Y328-H368 HydrophobicContact CG-CB 4.41Å; Y328-H368 AromaticContact CZ-CD2 3.68Å; M329-H368 VanDerWaalsContact CB-O 3.22Å; M329-H368 WeakPolarHBondContact CB-O 3.36Å; M329-H368 PolarHBondContact N-O 3.43Å; I366-H368 VanDerWaalsContact CG2-CE1 3.47Å; I366-H368 WeakPolarHBondContact CG2-CE1 3.23Å; H368-A370 PolarHBondContact O-N 2.73Å; H368-D626 VanDerWaalsContact CA-OD1 3.23Å; H368-D626 WeakPolarHBondContact CA-OD1 3.46Å; H368-D626 IonicContact CE1-OD2 3.65Å; H368-D626 IonicContact CG-OD1 2.77Å; H368-D626 VanDerWaalsContact ND1-CG 3.32Å; H368-D626 IonicContact ND1-OD1 3.09Å; H368-D626 PolarHBondContact ND1-OD1 3.12Å; H368-D626 IonicContact ND1-OD2 3.19Å; H368-D626 PolarHBondContact ND1-OD2 3.04Å
369	G	95.6	Very high	96.7	Very high	23 Å²	23	23.1 Å²	23.1	24%	0.237	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	0.7	-179.6	0	0	0	0	0	116.1	A371 A372 N625 D626	G369-A371 PolarHBondContact O-N 2.9Å; G369-A372 VanDerWaalsContact O-CB 3.22Å; G369-A372 WeakPolarHBondContact O-CB 3.43Å; G369-A372 PolarHBondContact O-N 3.39Å; G369-A372 VanDerWaalsContact O-N 3.11Å; G369-N625 CarbonylContact C-O 3.57Å; G369-N625 VanDerWaalsContact CA-O 3.25Å; G369-N625 WeakPolarHBondContact CA-O 3.38Å; G369-N625 PolarHBondContact N-O 3.13Å; G369-D626 PolarHBondContact N-OD1 3.14Å
370	A	97.3	Very high	96.8	Very high	7 Å²	7	24.9 Å²	24.9	6%	0.058	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.2	-174.8	0	0	0	0	0	115	V367 H368 Y373 N625 I627	V367-A370 HydrophobicContact CB-CB 3.88Å; V367-A370 HydrophobicContact CG1-CB 3.61Å; V367-A370 PolarHBondContact O-N 3.19Å; H368-A370 PolarHBondContact O-N 2.73Å; A370-Y373 VanDerWaalsContact O-CD1 3.29Å; A370-Y373 WeakPolarHBondContact O-CD1 3.19Å; A370-Y373 WeakPolarHBondContact O-CE1 3.45Å; A370-N625 PolarHBondContact N-O 2.93Å; A370-I627 HydrophobicContact CB-CB 4.44Å; A370-I627 HydrophobicContact CB-CD1 3.57Å; A370-I627 HydrophobicContact CB-CG1 3.94Å
371	A	97.5	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	13.7	174.9	0	0	0	0	0	113.9	G369 Y373 L374 V552 K554 N625 I627	G369-A371 PolarHBondContact O-N 2.9Å; A371-Y373 PolarHBondContact O-N 3.45Å; A371-L374 HydrophobicContact CB-CD1 4.21Å; A371-L374 PolarHBondContact O-N 3.49Å; A371-V552 HydrophobicContact CB-CG1 3.4Å; A371-K554 HydrophobicContact CB-CD 4.46Å; A371-K554 PolarHBondContact O-NZ 2.98Å; A371-N625 WeakPolarHBondContact CB-O 3.48Å; A371-N625 PolarHBondContact N-O 3.4Å; A371-I627 HydrophobicContact CB-CD1 4.36Å; A371-I627 HydrophobicContact CB-CG1 3.94Å
372	A	95.3	Very high	96.8	Very high	65 Å²	65	20.2 Å²	20.2	54%	0.537	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27	179.6	0	0	0	0	0	113.3	G369 L374 N625	G369-A372 VanDerWaalsContact O-CB 3.22Å; G369-A372 WeakPolarHBondContact O-CB 3.43Å; G369-A372 PolarHBondContact O-N 3.39Å; G369-A372 VanDerWaalsContact O-N 3.11Å; A372-L374 VanDerWaalsContact C-N 3.32Å; A372-N625 WeakPolarHBondContact CA-OD1 3.27Å; A372-N625 HydrophobicContact CB-CB 4.2Å
373	Y	95.4	Very high	96.8	Very high	89 Å²	89	27.7 Å²	27.7	35%	0.349	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.3	178.4	78.9	-82	0	0	0	113.6	A370 A371 M449 L450 E452 S453	A370-Y373 VanDerWaalsContact O-CD1 3.29Å; A370-Y373 WeakPolarHBondContact O-CD1 3.19Å; A370-Y373 WeakPolarHBondContact O-CE1 3.45Å; A371-Y373 PolarHBondContact O-N 3.45Å; Y373-M449 WeakPolarHBondContact CE2-O 3.38Å; Y373-M449 PolarHBondContact OH-O 3.36Å; Y373-L450 PolarHBondContact OH-O 3.4Å; Y373-E452 HydrophobicContact CE2-CB 3.88Å; Y373-S453 VanDerWaalsContact OH-CB 3.27Å; Y373-S453 WeakPolarHBondContact OH-CB 3.23Å; Y373-S453 PolarHBondContact OH-N 2.9Å
374	L	96.8	Very high	96.8	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.031	17%	0.168	C	C	.	.	S	Bend	trans	-77.1	151.2	178.1	-65.9	172.5	0	0	0	111.7	A371 A372 F377 M449 L450 V552 K554	A371-L374 HydrophobicContact CB-CD1 4.21Å; A371-L374 PolarHBondContact O-N 3.49Å; A372-L374 VanDerWaalsContact C-N 3.32Å; L374-F377 HydrophobicContact CB-CE1 4Å; L374-F377 HydrophobicContact CD1-CE1 4.03Å; L374-F377 HydrophobicContact CD1-CZ 4.07Å; L374-M449 HydrophobicContact CD2-CB 3.91Å; L374-L450 HydrophobicContact CD1-CD2 3.76Å; L374-L450 HydrophobicContact CD2-CD2 4.22Å; L374-V552 HydrophobicContact CD1-CG1 4.13Å; L374-K554 VanDerWaalsContact O-CE 3.28Å; L374-K554 WeakPolarHBondContact O-CE 3.41Å; L374-K554 PolarHBondContact O-NZ 3.22Å
375	P	94.8	Very high	96.7	Very high	42 Å²	42	33.8 Å²	33.8	27%	0.273	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-69.2	166	173.1	31	-36.5	0	0	0	112.2	F377 Y380 M449 K554	P375-F377 VanDerWaalsContact O-CD1 3.31Å; P375-F377 WeakPolarHBondContact O-CD1 3.17Å; P375-F377 PolarHBondContact O-N 2.75Å; P375-Y380 HydrophobicContact CB-CD2 4.3Å; P375-Y380 HydrophobicContact CG-CD2 3.72Å; P375-Y380 HydrophobicContact CG-CG 3.96Å; P375-M449 HydrophobicContact CG-CE 4.32Å; P375-K554 VanDerWaalsContact O-CE 3.25Å; P375-K554 WeakPolarHBondContact O-CE 3.21Å
376	D	93.6	Very high	96.6	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.16	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-60	124.4	160.1	177.7	-59.8	0	0	0	108	L378 D379 Y380 Q557	D376-L378 WeakPolarHBondContact OD1-CA 3.31Å; D376-L378 WeakPolarHBondContact OD1-CB 3.44Å; D376-L378 PolarHBondContact OD1-N 2.85Å; D376-D379 HydrophobicContact CB-CB 4.14Å; D376-D379 PolarHBondContact OD1-N 2.96Å; D376-Y380 VanDerWaalsContact O-CB 3.25Å; D376-Y380 WeakPolarHBondContact O-CB 3.16Å; D376-Y380 PolarHBondContact O-N 3.01Å; D376-Q557 PolarHBondContact OD2-N 2.83Å
377	F	96.4	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-38.3	-172.9	-54.1	-32.3	0	0	0	112.2	L374 P375 Y380 F381 F446 M482 V552 K554 C645 L647	L374-F377 HydrophobicContact CB-CE1 4Å; L374-F377 HydrophobicContact CD1-CE1 4.03Å; L374-F377 HydrophobicContact CD1-CZ 4.07Å; P375-F377 VanDerWaalsContact O-CD1 3.31Å; P375-F377 WeakPolarHBondContact O-CD1 3.17Å; P375-F377 PolarHBondContact O-N 2.75Å; F377-Y380 PolarHBondContact O-N 3.47Å; F377-F381 VanDerWaalsContact O-CD2 3.24Å; F377-F381 WeakPolarHBondContact O-CD2 3.49Å; F377-F381 PolarHBondContact O-N 2.9Å; F377-F446 AromaticContact CD1-CE2 3.86Å; F377-F446 HydrophobicContact CD1-CE2 3.86Å; F377-F446 AromaticContact CD1-CZ 3.59Å; F377-F446 HydrophobicContact CD1-CZ 3.59Å; F377-F446 HydrophobicContact CE1-CE2 4.18Å; F377-F446 AromaticContact CE1-CZ 3.68Å; F377-F446 HydrophobicContact CE1-CZ 3.68Å; F377-F446 HydrophobicContact CG-CZ 4.31Å; F377-F446 HydrophobicContact CZ-CZ 4.48Å; F377-M482 HydrophobicContact CB-SD 3.71Å; F377-M482 HydrophobicContact CG-SD 4.43Å; F377-V552 HydrophobicContact CZ-CG1 4.05Å; F377-K554 HydrophobicContact CD1-CG 4.04Å; F377-K554 HydrophobicContact CD2-CB 4.06Å; F377-K554 HydrophobicContact CD2-CG 3.83Å; F377-K554 HydrophobicContact CE1-CD 4.47Å; F377-K554 HydrophobicContact CE1-CG 3.66Å; F377-K554 HydrophobicContact CE2-CB 4.01Å; F377-K554 HydrophobicContact CE2-CG 3.39Å; F377-K554 HydrophobicContact CG-CB 4.44Å; F377-K554 HydrophobicContact CG-CG 4.14Å; F377-K554 HydrophobicContact CZ-CB 4.39Å; F377-K554 HydrophobicContact CZ-CD 4.26Å; F377-K554 HydrophobicContact CZ-CG 3.31Å; F377-C645 HydrophobicContact CB-CB 3.95Å; F377-C645 HydrophobicContact CD2-CB 3.67Å; F377-C645 HydrophobicContact CG-CB 4.23Å; F377-L647 HydrophobicContact CD2-CD1 4.38Å; F377-L647 HydrophobicContact CD2-CG 4.04Å; F377-L647 HydrophobicContact CE1-CD1 4.06Å; F377-L647 HydrophobicContact CE2-CD1 3.65Å; F377-L647 HydrophobicContact CE2-CD2 4.46Å; F377-L647 HydrophobicContact CE2-CG 3.53Å; F377-L647 HydrophobicContact CZ-CD1 3.45Å; F377-L647 VanDerWaalsContact CZ-CD1 3.45Å; F377-L647 HydrophobicContact CZ-CG 3.91Å
378	L	96.3	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-42	-179	-179.8	55.6	0	0	0	110.7	D376 A382 I405 F408 H409 V412 V484 V556 F558	D376-L378 WeakPolarHBondContact OD1-CA 3.31Å; D376-L378 WeakPolarHBondContact OD1-CB 3.44Å; D376-L378 PolarHBondContact OD1-N 2.85Å; L378-A382 WeakPolarHBondContact O-CB 3.22Å; L378-A382 PolarHBondContact O-N 3.2Å; L378-I405 HydrophobicContact CD1-CG1 4.2Å; L378-F408 HydrophobicContact CD1-CD1 3.76Å; L378-F408 HydrophobicContact CD1-CE1 3.93Å; L378-F408 HydrophobicContact CD2-CE1 4.24Å; L378-H409 HydrophobicContact CD1-CB 4.09Å; L378-H409 HydrophobicContact CG-CB 4.35Å; L378-V412 HydrophobicContact CD2-CB 4.12Å; L378-V412 HydrophobicContact CD2-CG1 4.03Å; L378-V412 HydrophobicContact CD2-CG2 4.07Å; L378-V484 HydrophobicContact CD2-CG1 4.45Å; L378-V556 HydrophobicContact CD2-CG1 4.38Å; L378-F558 HydrophobicContact CD2-CE2 4.25Å; L378-F558 HydrophobicContact CD2-CZ 4.3Å
379	D	95.6	Very high	96.3	Very high	66 Å²	66	44.5 Å²	44.5	35%	0.353	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-48.2	171.8	-84.1	-17.2	0	0	0	111.6	D376 F381 A382 F383 H409	D376-D379 HydrophobicContact CB-CB 4.14Å; D376-D379 PolarHBondContact OD1-N 2.96Å; D379-F381 PolarHBondContact O-N 3.44Å; D379-A382 PolarHBondContact O-N 3.3Å; D379-F383 VanDerWaalsContact O-CB 3.31Å; D379-F383 WeakPolarHBondContact O-CB 3.47Å; D379-F383 PolarHBondContact O-N 3.5Å; D379-H409 IonicContact OD1-CD2 3.77Å; D379-H409 PolarHBondContact OD1-CD2 2.8Å; D379-H409 IonicContact OD1-CE1 3.87Å; D379-H409 IonicContact OD1-NE2 2.78Å; D379-H409 PolarHBondContact OD1-NE2 3.11Å
380	Y	96.8	Very high	96.4	Very high	40 Å²	40	43.4 Å²	43.4	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-51.2	-178.2	177.1	-90	0	0	0	112.3	P375 D376 F377 F383 N384 F385 F446 M449	P375-Y380 HydrophobicContact CB-CD2 4.3Å; P375-Y380 HydrophobicContact CG-CD2 3.72Å; P375-Y380 HydrophobicContact CG-CG 3.96Å; D376-Y380 VanDerWaalsContact O-CB 3.25Å; D376-Y380 WeakPolarHBondContact O-CB 3.16Å; D376-Y380 PolarHBondContact O-N 3.01Å; F377-Y380 PolarHBondContact O-N 3.47Å; Y380-F383 PolarHBondContact O-N 3.47Å; Y380-N384 VanDerWaalsContact CD2-ND2 3.27Å; Y380-N384 WeakPolarHBondContact CD2-ND2 3.03Å; Y380-N384 VanDerWaalsContact CE2-ND2 3.3Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.29Å; Y380-N384 WeakPolarHBondContact O-CB 3.21Å; Y380-N384 PolarHBondContact O-N 2.72Å; Y380-N384 PolarHBondContact O-ND2 2.9Å; Y380-F385 HydrophobicContact CE1-CD2 4.42Å; Y380-F385 AromaticContact CE1-CE2 3.94Å; Y380-F385 HydrophobicContact CE1-CE2 3.94Å; Y380-F446 AromaticContact CD1-CD2 3.66Å; Y380-F446 HydrophobicContact CD1-CD2 3.66Å; Y380-F446 HydrophobicContact CD1-CE2 4.07Å; Y380-F446 HydrophobicContact CE1-CB 4.06Å; Y380-F446 AromaticContact CE1-CD2 3.45Å; Y380-F446 HydrophobicContact CE1-CD2 3.45Å; Y380-F446 VanDerWaalsContact CE1-CD2 3.45Å; Y380-F446 HydrophobicContact CE1-CE2 4.32Å; Y380-F446 HydrophobicContact CE1-CG 4.14Å; Y380-F446 HydrophobicContact CG-CD2 4.37Å; Y380-F446 AromaticContact CZ-CD2 3.99Å; Y380-M449 HydrophobicContact CD2-CE 4.26Å; Y380-M449 HydrophobicContact CE1-CE 4.37Å; Y380-M449 HydrophobicContact CE2-CE 3.59Å
381	F	97.4	Very high	96.3	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-73.8	-32.8	-179	-75.3	-76	0	0	0	112.3	F377 D379 F383 F385 I405 L431 F443 F446 M482	F377-F381 VanDerWaalsContact O-CD2 3.24Å; F377-F381 WeakPolarHBondContact O-CD2 3.49Å; F377-F381 PolarHBondContact O-N 2.9Å; D379-F381 PolarHBondContact O-N 3.44Å; F381-F383 VanDerWaalsContact C-N 3.31Å; F381-F383 PolarHBondContact O-N 2.73Å; F381-F385 AromaticContact CD1-CD2 3.67Å; F381-F385 HydrophobicContact CD1-CD2 3.67Å; F381-F385 HydrophobicContact CD1-CE2 4.34Å; F381-F385 HydrophobicContact CD1-CG 4.45Å; F381-F385 HydrophobicContact CE1-CD2 4.11Å; F381-F385 HydrophobicContact CE1-CE2 4.36Å; F381-F385 CarbonylContact O-C 3.54Å; F381-F385 WeakPolarHBondContact O-CA 3.35Å; F381-F385 PolarHBondContact O-N 2.95Å; F381-I405 HydrophobicContact CB-CD1 3.54Å; F381-I405 HydrophobicContact CB-CG1 4.32Å; F381-I405 HydrophobicContact CG-CD1 4.48Å; F381-L431 HydrophobicContact CE1-CD2 4.18Å; F381-L431 HydrophobicContact CE2-CD2 4.29Å; F381-L431 HydrophobicContact CZ-CD1 4.29Å; F381-L431 HydrophobicContact CZ-CD2 3.71Å; F381-F443 HydrophobicContact CD1-CD1 4.37Å; F381-F443 HydrophobicContact CD1-CE1 4.24Å; F381-F443 HydrophobicContact CD1-CZ 4.36Å; F381-F443 HydrophobicContact CE1-CB 4.21Å; F381-F443 AromaticContact CE1-CD1 3.81Å; F381-F443 HydrophobicContact CE1-CD1 3.81Å; F381-F443 AromaticContact CE1-CD2 3.79Å; F381-F443 HydrophobicContact CE1-CD2 3.79Å; F381-F443 HydrophobicContact CE1-CE1 4.04Å; F381-F443 HydrophobicContact CE1-CE2 4.02Å; F381-F443 AromaticContact CE1-CG 3.67Å; F381-F443 HydrophobicContact CE1-CG 3.67Å; F381-F443 HydrophobicContact CE1-CZ 4.14Å; F381-F443 HydrophobicContact CZ-CD2 4.37Å; F381-F443 HydrophobicContact CZ-CG 4.43Å; F381-F446 HydrophobicContact CE2-CD1 4.27Å; F381-F446 AromaticContact CE2-CD2 3.95Å; F381-F446 HydrophobicContact CE2-CD2 3.95Å; F381-F446 HydrophobicContact CE2-CE1 4.14Å; F381-F446 AromaticContact CE2-CE2 3.81Å; F381-F446 HydrophobicContact CE2-CE2 3.81Å; F381-F446 HydrophobicContact CE2-CG 4.17Å; F381-F446 AromaticContact CE2-CZ 3.9Å; F381-F446 HydrophobicContact CE2-CZ 3.9Å; F381-F446 HydrophobicContact CZ-CB 4.17Å; F381-F446 AromaticContact CZ-CD1 3.84Å; F381-F446 HydrophobicContact CZ-CD1 3.84Å; F381-F446 AromaticContact CZ-CD2 3.84Å; F381-F446 HydrophobicContact CZ-CD2 3.84Å; F381-F446 HydrophobicContact CZ-CE1 4.15Å; F381-F446 HydrophobicContact CZ-CE2 4.16Å; F381-F446 AromaticContact CZ-CG 3.66Å; F381-F446 HydrophobicContact CZ-CG 3.66Å; F381-F446 HydrophobicContact CZ-CZ 4.3Å; F381-M482 HydrophobicContact CD2-CE 3.65Å; F381-M482 HydrophobicContact CD2-SD 3.49Å; F381-M482 WeakPolarHBondContact CD2-SD 3.39Å; F381-M482 HydrophobicContact CE2-CE 4.13Å; F381-M482 HydrophobicContact CE2-SD 3.5Å; F381-M482 VanDerWaalsContact CE2-SD 3.5Å; F381-M482 HydrophobicContact CG-CE 4.22Å
382	A	97.1	Very high	96.1	Very high	10 Å²	10	46.2 Å²	46.2	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-29.1	174.3	0	0	0	0	0	113.4	L378 D379 P386 H409	L378-A382 WeakPolarHBondContact O-CB 3.22Å; L378-A382 PolarHBondContact O-N 3.2Å; D379-A382 PolarHBondContact O-N 3.3Å; A382-P386 WeakPolarHBondContact O-CB 3.48Å; A382-H409 HydrophobicContact CB-CB 3.58Å; A382-H409 WeakPolarHBondContact CB-CD2 3.4Å
383	F	97	Very high	96.1	Very high	170 Å²	170	45.1 Å²	45.1	75%	0.746	23%	0.228	S	C	*	.	H	α-helix	trans	-82.9	-51.8	176.7	-177.7	-97.4	0	0	0	112.7	D379 Y380 F381	D379-F383 VanDerWaalsContact O-CB 3.31Å; D379-F383 WeakPolarHBondContact O-CB 3.47Å; D379-F383 PolarHBondContact O-N 3.5Å; Y380-F383 PolarHBondContact O-N 3.47Å; F381-F383 VanDerWaalsContact C-N 3.31Å; F381-F383 PolarHBondContact O-N 2.73Å
384	N	97.6	Very high	95.8	Very high	73 Å²	73	42.7 Å²	42.7	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-82.2	-34	-173.3	-64.5	-68.7	0	0	0	113	Y380 P386	Y380-N384 VanDerWaalsContact CD2-ND2 3.27Å; Y380-N384 WeakPolarHBondContact CD2-ND2 3.03Å; Y380-N384 VanDerWaalsContact CE2-ND2 3.3Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.29Å; Y380-N384 WeakPolarHBondContact O-CB 3.21Å; Y380-N384 PolarHBondContact O-N 2.72Å; Y380-N384 PolarHBondContact O-ND2 2.9Å; N384-P386 WeakPolarHBondContact O-CD 3.42Å
385	F	97.1	Very high	95.3	Very high	57 Å²	57	43 Å²	43	25%	0.25	22%	0.222	C	C	.	.	S	Bend	trans	-127.5	51.7	-174.7	-53.9	-80.3	0	0	0	112	Y380 F381 N387 T388 I405 F443	Y380-F385 HydrophobicContact CE1-CD2 4.42Å; Y380-F385 AromaticContact CE1-CE2 3.94Å; Y380-F385 HydrophobicContact CE1-CE2 3.94Å; F381-F385 AromaticContact CD1-CD2 3.67Å; F381-F385 HydrophobicContact CD1-CD2 3.67Å; F381-F385 HydrophobicContact CD1-CE2 4.34Å; F381-F385 HydrophobicContact CD1-CG 4.45Å; F381-F385 HydrophobicContact CE1-CD2 4.11Å; F381-F385 HydrophobicContact CE1-CE2 4.36Å; F381-F385 CarbonylContact O-C 3.54Å; F381-F385 WeakPolarHBondContact O-CA 3.35Å; F381-F385 PolarHBondContact O-N 2.95Å; F385-N387 PolarHBondContact O-N 2.87Å; F385-T388 WeakPolarHBondContact CB-OG1 3.3Å; F385-T388 WeakPolarHBondContact O-CB 3.4Å; F385-T388 PolarHBondContact O-N 2.69Å; F385-T388 PolarHBondContact O-OG1 3.33Å; F385-I405 WeakPolarHBondContact O-CG2 3.37Å; F385-F443 HydrophobicContact CB-CE1 4.14Å; F385-F443 AromaticContact CD1-CD1 3.93Å; F385-F443 HydrophobicContact CD1-CD1 3.93Å; F385-F443 AromaticContact CD1-CE1 3.78Å; F385-F443 HydrophobicContact CD1-CE1 3.78Å; F385-F443 AromaticContact CD2-CD1 3.87Å; F385-F443 HydrophobicContact CD2-CD1 3.87Å; F385-F443 AromaticContact CD2-CE1 3.96Å; F385-F443 HydrophobicContact CD2-CE1 3.96Å; F385-F443 AromaticContact CE1-CD1 3.81Å; F385-F443 HydrophobicContact CE1-CD1 3.81Å; F385-F443 HydrophobicContact CE1-CE1 4.15Å; F385-F443 AromaticContact CE2-CD1 3.75Å; F385-F443 HydrophobicContact CE2-CD1 3.75Å; F385-F443 HydrophobicContact CE2-CE1 4.31Å; F385-F443 AromaticContact CG-CD1 3.96Å; F385-F443 HydrophobicContact CG-CD1 3.96Å; F385-F443 AromaticContact CG-CE1 3.68Å; F385-F443 HydrophobicContact CG-CE1 3.68Å; F385-F443 AromaticContact CZ-CD1 3.72Å; F385-F443 HydrophobicContact CZ-CD1 3.72Å; F385-F443 HydrophobicContact CZ-CE1 4.4Å
386	P	97.4	Very high	94.5	Very high	44 Å²	44	42.9 Å²	42.9	29%	0.286	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.1	-166.7	23.3	-35.5	0	0	0	114.9	A382 N384 T404 S406	A382-P386 WeakPolarHBondContact O-CB 3.48Å; N384-P386 WeakPolarHBondContact O-CD 3.42Å; P386-T404 WeakPolarHBondContact O-CB 3.32Å; P386-T404 PolarHBondContact O-OG1 2.92Å; P386-S406 VanDerWaalsContact O-CB 3.23Å; P386-S406 WeakPolarHBondContact O-CB 3.35Å; P386-S406 PolarHBondContact O-N 3.13Å
387	N	96.8	Very high	94	Very high	135 Å²	135	44 Å²	44	72%	0.722	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.6	-177.6	-64.9	-39.7	0	0	0	113.6	F385	F385-N387 PolarHBondContact O-N 2.87Å
388	T	96	Very high	93.4	Very high	14 Å²	14	53.1 Å²	53.1	9%	0.086	27%	0.272	C	S	.	.			trans	-56.1	124.3	-179.8	-66.6	0	0	0	0	109.7	F385 T404 I405 F443	F385-T388 WeakPolarHBondContact CB-OG1 3.3Å; F385-T388 WeakPolarHBondContact O-CB 3.4Å; F385-T388 PolarHBondContact O-N 2.69Å; F385-T388 PolarHBondContact O-OG1 3.33Å; T388-T404 CarbonylContact O-C 3.56Å; T388-T404 WeakPolarHBondContact O-CA 3.28Å; T388-I405 PolarHBondContact O-N 2.92Å; T388-F443 HydrophobicContact CG2-CZ 4.15Å
389	P	95.3	Very high	93	Very high	63 Å²	63	57 Å²	57	41%	0.409	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.7	177.8	26.1	-32.3	0	0	0	110.1	T403 V439	P389-T403 CarbonylContact C-O 3.51Å; P389-T403 WeakPolarHBondContact CA-O 3.45Å; P389-V439 HydrophobicContact CB-CG1 3.91Å; P389-V439 HydrophobicContact CG-CG1 3.71Å; P389-V439 WeakPolarHBondContact O-CG1 3.39Å
390	V	96.4	Very high	92.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.8	174.1	-62	0	0	0	0	109.7	T402 T403 I405 F408 M426 I429	V390-T402 WeakPolarHBondContact O-CA 3.36Å; V390-T403 HydrophobicContact CG2-CG2 3.8Å; V390-T403 PolarHBondContact N-O 3.43Å; V390-T403 PolarHBondContact O-N 2.83Å; V390-I405 HydrophobicContact CG1-CB 3.81Å; V390-I405 HydrophobicContact CG1-CD1 4.15Å; V390-I405 HydrophobicContact CG1-CG1 4.33Å; V390-F408 HydrophobicContact CG2-CB 3.98Å; V390-M426 HydrophobicContact CB-CG 4.01Å; V390-M426 HydrophobicContact CB-SD 3.88Å; V390-M426 HydrophobicContact CG1-CG 4.46Å; V390-M426 HydrophobicContact CG1-SD 3.69Å; V390-M426 HydrophobicContact CG2-CG 4.43Å; V390-M426 HydrophobicContact CG2-SD 4.32Å; V390-I429 HydrophobicContact CG1-CG2 4.23Å
391	K	95.6	Very high	92.6	Very high	59 Å²	59	60 Å²	60	26%	0.257	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.7	172	-74.4	169.3	-177.7	173.6	0	108.1	I400 R427 E437 V439	K391-I400 HydrophobicContact CB-CG2 3.85Å; K391-I400 HydrophobicContact CG-CG2 4.15Å; K391-R427 HydrophobicContact CB-CB 4.27Å; K391-R427 WeakPolarHBondContact O-CB 3.36Å; K391-R427 PolarHBondContact O-N 2.8Å; K391-E437 PolarHBondContact NZ-O 3.37Å; K391-V439 HydrophobicContact CD-CG2 3.58Å; K391-V439 HydrophobicContact CG-CG2 3.93Å
392	M	94.3	Very high	92.5	Very high	7 Å²	7	64.5 Å²	64.5	3%	0.034	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	149.7	172	58.1	161.8	-78.1	0	0	110.8	I400 E401 T403 F408 P425	M392-I400 WeakPolarHBondContact O-CA 3.41Å; M392-E401 HydrophobicContact CG-CB 4.18Å; M392-E401 VanDerWaalsContact CG-O 3.32Å; M392-E401 WeakPolarHBondContact CG-O 3.48Å; M392-E401 PolarHBondContact N-O 3.29Å; M392-E401 PolarHBondContact O-N 2.81Å; M392-T403 HydrophobicContact CG-CG2 4.11Å; M392-T403 HydrophobicContact SD-CG2 4.13Å; M392-F408 HydrophobicContact CB-CD2 4.14Å; M392-F408 HydrophobicContact CB-CE2 4.33Å; M392-F408 HydrophobicContact SD-CD2 4.1Å; M392-P425 CarbonylContact C-O 3.56Å; M392-P425 WeakPolarHBondContact CA-O 3.37Å
393	E	93.4	Very high	92.5	Very high	42 Å²	42	65.1 Å²	65.1	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	144.7	171.6	-54.1	-166.4	147.9	0	0	110	L395 G424 P425 R427	E393-L395 PolarHBondContact O-N 3.25Å; E393-G424 VanDerWaalsContact O-CA 3.22Å; E393-G424 WeakPolarHBondContact O-CA 3.42Å; E393-P425 HydrophobicContact CB-CG 4.08Å; E393-P425 HydrophobicContact CG-CG 4.2Å; E393-P425 PolarHBondContact N-O 3.21Å; E393-R427 HydrophobicContact CG-CG 4.24Å; E393-R427 IonicContact OE1-CZ 2.71Å; E393-R427 VanDerWaalsContact OE1-CZ 3.26Å; E393-R427 IonicContact OE1-NE 3.75Å; E393-R427 PolarHBondContact OE1-NE 3.12Å; E393-R427 IonicContact OE1-NH2 2.65Å; E393-R427 PolarHBondContact OE1-NH2 3.46Å
394	I	89.3	Confident	92.5	Very high	37 Å²	37	58.7 Å²	58.7	19%	0.19	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-74.9	124.8	174.4	-65.1	-174.2	0	0	0	108.6	G396 K397 D399 E401 P497	I394-G396 PolarHBondContact O-N 2.88Å; I394-G396 VanDerWaalsContact O-N 3.12Å; I394-K397 HydrophobicContact CB-CB 4.35Å; I394-K397 HydrophobicContact CG2-CB 4.36Å; I394-K397 HydrophobicContact CG2-CD 4.04Å; I394-K397 HydrophobicContact CG2-CG 4.38Å; I394-K397 CarbonylContact O-C 3.51Å; I394-K397 PolarHBondContact O-N 3.2Å; I394-D399 HydrophobicContact CB-CB 4.27Å; I394-D399 HydrophobicContact CD1-CB 3.85Å; I394-D399 HydrophobicContact CG1-CB 4.2Å; I394-D399 PolarHBondContact N-O 3.15Å; I394-E401 HydrophobicContact CD1-CB 4.49Å; I394-E401 HydrophobicContact CG1-CB 4.19Å; I394-P497 HydrophobicContact CG2-CB 4.18Å; I394-P497 HydrophobicContact CG2-CG 3.43Å; I394-P497 VanDerWaalsContact CG2-CG 3.43Å
395	L	86.7	Confident	92.5	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.063	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	119.1	-174.9	-176.6	65.5	0	0	0	112.5	E393 K397 R422 I491 P497 F527	E393-L395 PolarHBondContact O-N 3.25Å; L395-K397 VanDerWaalsContact C-N 3.29Å; L395-K397 PolarHBondContact O-N 3.24Å; L395-R422 HydrophobicContact CD2-CB 4.37Å; L395-I491 HydrophobicContact CD1-CD1 4.27Å; L395-I491 HydrophobicContact CD1-CG1 4.32Å; L395-I491 HydrophobicContact CD2-CD1 4.15Å; L395-I491 HydrophobicContact CD2-CG1 4.44Å; L395-I491 HydrophobicContact CD2-CG2 3.97Å; L395-P497 WeakPolarHBondContact O-CD 3.3Å; L395-P497 WeakPolarHBondContact O-CG 3.32Å; L395-F527 HydrophobicContact CD1-CD2 3.9Å; L395-F527 HydrophobicContact CD1-CE2 4.07Å; L395-F527 HydrophobicContact CD1-CG 4.42Å
396	G	78.8	Confident	92.5	Very high	41 Å²	41	54.4 Å²	54.4	42%	0.423	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	18.9	179.1	0	0	0	0	0	115.5	I394	I394-G396 PolarHBondContact O-N 2.88Å; I394-G396 VanDerWaalsContact O-N 3.12Å
397	K	83.7	Confident	92.6	Very high	52 Å²	52	56.4 Å²	56.4	23%	0.226	30%	0.304	C	S	.	.	S	Bend	trans	-132.1	166.7	167.6	-59.3	-175.9	-167.3	153.4	0	109.6	I394 L395 D399 P497	I394-K397 HydrophobicContact CB-CB 4.35Å; I394-K397 HydrophobicContact CG2-CB 4.36Å; I394-K397 HydrophobicContact CG2-CD 4.04Å; I394-K397 HydrophobicContact CG2-CG 4.38Å; I394-K397 CarbonylContact O-C 3.51Å; I394-K397 PolarHBondContact O-N 3.2Å; L395-K397 VanDerWaalsContact C-N 3.29Å; L395-K397 PolarHBondContact O-N 3.24Å; K397-D399 HydrophobicContact CB-CB 4.36Å; K397-D399 WeakPolarHBondContact CD-OD2 3.48Å; K397-P497 WeakPolarHBondContact CE-O 3.47Å; K397-P497 PolarHBondContact NZ-O 3.24Å
398	K	82.3	Confident	92.6	Very high	192 Å²	192	50 Å²	50	84%	0.835	27%	0.27	S	S	*	.	S	Bend	trans	-93.1	3.6	170.7	-64.9	-167.8	174.5	-167.4	0	113.3
399	D	88.4	Confident	92.7	Very high	82 Å²	82	50.8 Å²	50.8	44%	0.439	27%	0.272	S	S	.	.			trans	-67.7	135.1	177.3	-56.6	-27.4	0	0	0	108.7	I394 K397	I394-D399 HydrophobicContact CB-CB 4.27Å; I394-D399 HydrophobicContact CD1-CB 3.85Å; I394-D399 HydrophobicContact CG1-CB 4.2Å; I394-D399 PolarHBondContact N-O 3.15Å; K397-D399 HydrophobicContact CB-CB 4.36Å; K397-D399 WeakPolarHBondContact CD-OD2 3.48Å
400	I	91.9	Very high	92.7	Very high	80 Å²	80	51.5 Å²	51.5	41%	0.41	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.8	179.8	-54.4	165	0	0	0	108.5	K391 M392 R427	K391-I400 HydrophobicContact CB-CG2 3.85Å; K391-I400 HydrophobicContact CG-CG2 4.15Å; M392-I400 WeakPolarHBondContact O-CA 3.41Å; I400-R427 VanDerWaalsContact CD1-CZ 3.41Å
401	E	92.9	Very high	92.7	Very high	89 Å²	89	54.8 Å²	54.8	42%	0.416	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.4	173.9	-175.6	171.3	165.6	0	0	109.2	M392 I394	M392-E401 HydrophobicContact CG-CB 4.18Å; M392-E401 VanDerWaalsContact CG-O 3.32Å; M392-E401 WeakPolarHBondContact CG-O 3.48Å; M392-E401 PolarHBondContact N-O 3.29Å; M392-E401 PolarHBondContact O-N 2.81Å; I394-E401 HydrophobicContact CD1-CB 4.49Å; I394-E401 HydrophobicContact CG1-CB 4.19Å
402	T	95.4	Very high	92.7	Very high	96 Å²	96	52 Å²	52	59%	0.589	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	126	172	-54.6	0	0	0	0	108.9	V390	V390-T402 WeakPolarHBondContact O-CA 3.36Å
403	T	95.9	Very high	92.8	Very high	22 Å²	22	55.5 Å²	55.5	14%	0.135	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	-172.5	177.4	-166.1	0	0	0	0	109.8	P389 V390 M392 N407 F408	P389-T403 CarbonylContact C-O 3.51Å; P389-T403 WeakPolarHBondContact CA-O 3.45Å; V390-T403 HydrophobicContact CG2-CG2 3.8Å; V390-T403 PolarHBondContact N-O 3.43Å; V390-T403 PolarHBondContact O-N 2.83Å; M392-T403 HydrophobicContact CG-CG2 4.11Å; M392-T403 HydrophobicContact SD-CG2 4.13Å; T403-N407 VanDerWaalsContact OG1-CB 3.29Å; T403-N407 WeakPolarHBondContact OG1-CB 3.38Å; T403-F408 HydrophobicContact CG2-CB 4.12Å
404	T	97.4	Very high	92.9	Very high	36 Å²	36	64.1 Å²	64.1	22%	0.221	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	153.9	171.2	66.7	0	0	0	0	110.8	P386 T388 S406 N407 F408	P386-T404 WeakPolarHBondContact O-CB 3.32Å; P386-T404 PolarHBondContact O-OG1 2.92Å; T388-T404 CarbonylContact O-C 3.56Å; T388-T404 WeakPolarHBondContact O-CA 3.28Å; T404-S406 PolarHBondContact O-N 2.79Å; T404-N407 WeakPolarHBondContact O-CB 3.48Å; T404-N407 PolarHBondContact O-N 3.41Å; T404-N407 PolarHBondContact OG1-N 2.98Å; T404-N407 PolarHBondContact OG1-ND2 2.87Å; T404-F408 PolarHBondContact O-N 2.93Å
405	I	97.6	Very high	93.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-34	179.9	-170.2	145.9	0	0	0	112.9	L378 F381 F385 T388 V390 F408 H409 M426 M482	L378-I405 HydrophobicContact CD1-CG1 4.2Å; F381-I405 HydrophobicContact CB-CD1 3.54Å; F381-I405 HydrophobicContact CB-CG1 4.32Å; F381-I405 HydrophobicContact CG-CD1 4.48Å; F385-I405 WeakPolarHBondContact O-CG2 3.37Å; T388-I405 PolarHBondContact O-N 2.92Å; V390-I405 HydrophobicContact CG1-CB 3.81Å; V390-I405 HydrophobicContact CG1-CD1 4.15Å; V390-I405 HydrophobicContact CG1-CG1 4.33Å; I405-F408 PolarHBondContact O-N 3.04Å; I405-H409 VanDerWaalsContact O-CB 3.26Å; I405-H409 WeakPolarHBondContact O-CB 3.47Å; I405-H409 PolarHBondContact O-N 2.7Å; I405-M426 HydrophobicContact CD1-SD 4.38Å; I405-M482 HydrophobicContact CD1-CE 4.03Å
406	S	97.9	Very high	93.6	Very high	39 Å²	39	65 Å²	65	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-38.3	173.7	-175.2	0	0	0	0	113.2	P386 T404 T410	P386-S406 VanDerWaalsContact O-CB 3.23Å; P386-S406 WeakPolarHBondContact O-CB 3.35Å; P386-S406 PolarHBondContact O-N 3.13Å; T404-S406 PolarHBondContact O-N 2.79Å; S406-T410 WeakPolarHBondContact O-CB 3.3Å; S406-T410 PolarHBondContact O-N 3.04Å; S406-T410 PolarHBondContact O-OG1 2.92Å
407	N	97.8	Very high	94.3	Very high	87 Å²	87	66.4 Å²	66.4	47%	0.465	34%	0.336	S	S	.	.	H	α-helix	trans	-70.5	-36.3	173.9	-77.4	-27.3	0	0	0	111.9	T403 T404 Q411	T403-N407 VanDerWaalsContact OG1-CB 3.29Å; T403-N407 WeakPolarHBondContact OG1-CB 3.38Å; T404-N407 WeakPolarHBondContact O-CB 3.48Å; T404-N407 PolarHBondContact O-N 3.41Å; T404-N407 PolarHBondContact OG1-N 2.98Å; T404-N407 PolarHBondContact OG1-ND2 2.87Å; N407-Q411 WeakPolarHBondContact O-CG 3.25Å; N407-Q411 PolarHBondContact O-N 2.91Å; N407-Q411 PolarHBondContact O-NE2 2.84Å
408	F	97.6	Very high	94.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-51.6	173.9	174.7	-107.5	0	0	0	110.8	L378 V390 M392 T403 T404 I405 T410 Q411 V412 Y421 M426 V484	L378-F408 HydrophobicContact CD1-CD1 3.76Å; L378-F408 HydrophobicContact CD1-CE1 3.93Å; L378-F408 HydrophobicContact CD2-CE1 4.24Å; V390-F408 HydrophobicContact CG2-CB 3.98Å; M392-F408 HydrophobicContact CB-CD2 4.14Å; M392-F408 HydrophobicContact CB-CE2 4.33Å; M392-F408 HydrophobicContact SD-CD2 4.1Å; T403-F408 HydrophobicContact CG2-CB 4.12Å; T404-F408 PolarHBondContact O-N 2.93Å; I405-F408 PolarHBondContact O-N 3.04Å; F408-T410 VanDerWaalsContact C-N 3.3Å; F408-T410 PolarHBondContact O-N 2.92Å; F408-Q411 WeakPolarHBondContact O-CA 3.46Å; F408-Q411 WeakPolarHBondContact O-CB 3.44Å; F408-Q411 PolarHBondContact O-N 2.77Å; F408-V412 HydrophobicContact CD1-CG2 4.18Å; F408-V412 HydrophobicContact CD2-CG2 4.29Å; F408-V412 HydrophobicContact CE1-CG2 3.65Å; F408-V412 HydrophobicContact CE2-CG2 3.79Å; F408-V412 HydrophobicContact CG-CG2 4.46Å; F408-V412 HydrophobicContact CZ-CG2 3.42Å; F408-V412 VanDerWaalsContact CZ-CG2 3.42Å; F408-V412 WeakPolarHBondContact O-CG2 3.28Å; F408-V412 PolarHBondContact O-N 2.7Å; F408-Y421 HydrophobicContact CZ-CE2 4.42Å; F408-M426 HydrophobicContact CD1-CB 4.37Å; F408-M426 HydrophobicContact CD1-CG 4.36Å; F408-M426 HydrophobicContact CD1-SD 3.92Å; F408-M426 HydrophobicContact CE1-CB 3.79Å; F408-M426 HydrophobicContact CE1-CG 4.26Å; F408-M426 HydrophobicContact CE1-SD 4.03Å; F408-M426 HydrophobicContact CE2-CB 4.19Å; F408-M426 HydrophobicContact CZ-CB 3.7Å; F408-M426 HydrophobicContact CZ-CG 4.5Å; F408-V484 HydrophobicContact CE1-CB 4Å; F408-V484 HydrophobicContact CE1-CG1 4.21Å; F408-V484 HydrophobicContact CE1-CG2 4.19Å; F408-V484 HydrophobicContact CZ-CB 4.22Å; F408-V484 HydrophobicContact CZ-CG1 4.35Å
409	H	97.6	Very high	95.2	Very high	30 Å²	30	59.3 Å²	59.3	14%	0.139	32%	0.317	C	S	.	.	H	α-helix	trans	-48	-49.1	172.9	174.2	-73.5	0	0	0	112.5	L378 D379 A382 I405 Q411 V412 N413 F558	L378-H409 HydrophobicContact CD1-CB 4.09Å; L378-H409 HydrophobicContact CG-CB 4.35Å; D379-H409 IonicContact OD1-CD2 3.77Å; D379-H409 PolarHBondContact OD1-CD2 2.8Å; D379-H409 IonicContact OD1-CE1 3.87Å; D379-H409 IonicContact OD1-NE2 2.78Å; D379-H409 PolarHBondContact OD1-NE2 3.11Å; A382-H409 HydrophobicContact CB-CB 3.58Å; A382-H409 WeakPolarHBondContact CB-CD2 3.4Å; I405-H409 VanDerWaalsContact O-CB 3.26Å; I405-H409 WeakPolarHBondContact O-CB 3.47Å; I405-H409 PolarHBondContact O-N 2.7Å; H409-Q411 VanDerWaalsContact C-N 3.29Å; H409-Q411 PolarHBondContact O-N 2.75Å; H409-V412 PolarHBondContact O-N 2.86Å; H409-V412 VanDerWaalsContact O-N 3.16Å; H409-N413 WeakPolarHBondContact O-CB 3.31Å; H409-N413 PolarHBondContact O-N 3.2Å; H409-F558 AromaticContact CD2-CZ 3.9Å; H409-F558 AromaticContact CE1-CE1 3.56Å; H409-F558 AromaticContact CE1-CZ 3.97Å; H409-F558 AromaticContact NE2-CE1 3.53Å; H409-F558 AromaticContact NE2-CZ 3.69Å
410	T	97	Very high	95.5	Very high	79 Å²	79	57.1 Å²	57.1	49%	0.485	31%	0.306	S	S	.	.	H	α-helix	trans	-60.1	-36.4	177.6	-60.1	0	0	0	0	112.8	S406 F408 R414	S406-T410 WeakPolarHBondContact O-CB 3.3Å; S406-T410 PolarHBondContact O-N 3.04Å; S406-T410 PolarHBondContact O-OG1 2.92Å; F408-T410 VanDerWaalsContact C-N 3.3Å; F408-T410 PolarHBondContact O-N 2.92Å; T410-R414 VanDerWaalsContact O-CB 3.28Å; T410-R414 WeakPolarHBondContact O-CB 3.32Å; T410-R414 PolarHBondContact O-N 3.14Å; T410-R414 VanDerWaalsContact O-N 3.15Å
411	Q	94.9	Very high	95.7	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-72.1	-39.6	175.8	-70.6	175.9	84.3	0	0	112.5	N407 F408 H409 T415 A423	N407-Q411 WeakPolarHBondContact O-CG 3.25Å; N407-Q411 PolarHBondContact O-N 2.91Å; N407-Q411 PolarHBondContact O-NE2 2.84Å; F408-Q411 WeakPolarHBondContact O-CA 3.46Å; F408-Q411 WeakPolarHBondContact O-CB 3.44Å; F408-Q411 PolarHBondContact O-N 2.77Å; H409-Q411 VanDerWaalsContact C-N 3.29Å; H409-Q411 PolarHBondContact O-N 2.75Å; Q411-T415 PolarHBondContact O-N 3.2Å; Q411-T415 PolarHBondContact O-OG1 3.07Å; Q411-A423 HydrophobicContact CB-CB 4.38Å
412	V	96.3	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-57.7	173.9	179.4	0	0	0	0	109.5	L378 F408 H409 R414 T415 Y416 Y421 V556 F558	L378-V412 HydrophobicContact CD2-CB 4.12Å; L378-V412 HydrophobicContact CD2-CG1 4.03Å; L378-V412 HydrophobicContact CD2-CG2 4.07Å; F408-V412 HydrophobicContact CD1-CG2 4.18Å; F408-V412 HydrophobicContact CD2-CG2 4.29Å; F408-V412 HydrophobicContact CE1-CG2 3.65Å; F408-V412 HydrophobicContact CE2-CG2 3.79Å; F408-V412 HydrophobicContact CG-CG2 4.46Å; F408-V412 HydrophobicContact CZ-CG2 3.42Å; F408-V412 VanDerWaalsContact CZ-CG2 3.42Å; F408-V412 WeakPolarHBondContact O-CG2 3.28Å; F408-V412 PolarHBondContact O-N 2.7Å; H409-V412 PolarHBondContact O-N 2.86Å; H409-V412 VanDerWaalsContact O-N 3.16Å; V412-R414 VanDerWaalsContact C-N 3.31Å; V412-R414 PolarHBondContact O-N 3.4Å; V412-T415 CarbonylContact O-C 3.59Å; V412-T415 PolarHBondContact O-N 2.99Å; V412-T415 PolarHBondContact O-OG1 3.27Å; V412-Y416 WeakPolarHBondContact O-CB 3.46Å; V412-Y416 PolarHBondContact O-N 3.5Å; V412-Y421 HydrophobicContact CB-CD2 4.35Å; V412-Y421 HydrophobicContact CB-CG 4.39Å; V412-Y421 HydrophobicContact CG1-CD1 3.54Å; V412-Y421 HydrophobicContact CG1-CD2 4.05Å; V412-Y421 HydrophobicContact CG1-CE1 3.92Å; V412-Y421 HydrophobicContact CG1-CE2 4.44Å; V412-Y421 HydrophobicContact CG1-CG 3.63Å; V412-Y421 HydrophobicContact CG2-CD2 3.98Å; V412-Y421 HydrophobicContact CG2-CE1 4.31Å; V412-Y421 HydrophobicContact CG2-CE2 3.8Å; V412-Y421 HydrophobicContact CG2-CG 4.4Å; V412-V556 HydrophobicContact CG1-CG1 3.97Å; V412-F558 HydrophobicContact CB-CE2 4.07Å; V412-F558 HydrophobicContact CG1-CD2 4.1Å; V412-F558 HydrophobicContact CG1-CE2 3.46Å; V412-F558 VanDerWaalsContact CG1-CE2 3.46Å; V412-F558 HydrophobicContact CG1-CZ 4.36Å
413	N	96.1	Very high	95.7	Very high	82 Å²	82	50.3 Å²	50.3	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-48.5	-50.4	178.6	-172.5	-9.5	0	0	0	112.2	H409 T415 Y416 F558	H409-N413 WeakPolarHBondContact O-CB 3.31Å; H409-N413 PolarHBondContact O-N 3.2Å; N413-T415 PolarHBondContact O-N 3.16Å; N413-T415 VanDerWaalsContact O-N 3.11Å; N413-Y416 PolarHBondContact O-N 3.05Å; N413-F558 HydrophobicContact CB-CD1 3.56Å; N413-F558 HydrophobicContact CB-CD2 4.43Å; N413-F558 HydrophobicContact CB-CE1 3.45Å; N413-F558 VanDerWaalsContact CB-CE1 3.45Å; N413-F558 HydrophobicContact CB-CE2 4.32Å; N413-F558 HydrophobicContact CB-CG 4.07Å; N413-F558 HydrophobicContact CB-CZ 3.85Å
414	R	95.1	Very high	95.6	Very high	222 Å²	222	49.2 Å²	49.2	84%	0.838	26%	0.256	S	S	*	.	H	α-helix	trans	-59.8	-25.5	-179.9	178.5	174.8	177.4	-176.1	0.2	114.4	T410 V412	T410-R414 VanDerWaalsContact O-CB 3.28Å; T410-R414 WeakPolarHBondContact O-CB 3.32Å; T410-R414 PolarHBondContact O-N 3.14Å; T410-R414 VanDerWaalsContact O-N 3.15Å; V412-R414 VanDerWaalsContact C-N 3.31Å; V412-R414 PolarHBondContact O-N 3.4Å
415	T	94.4	Very high	95.5	Very high	44 Å²	44	47.6 Å²	47.6	27%	0.27	25%	0.246	S	C	.	.	H	α-helix	trans	-118.2	-0.2	-173.4	63.6	0	0	0	0	114	Q411 V412 N413 Y421 R422	Q411-T415 PolarHBondContact O-N 3.2Å; Q411-T415 PolarHBondContact O-OG1 3.07Å; V412-T415 CarbonylContact O-C 3.59Å; V412-T415 PolarHBondContact O-N 2.99Å; V412-T415 PolarHBondContact O-OG1 3.27Å; N413-T415 PolarHBondContact O-N 3.16Å; N413-T415 VanDerWaalsContact O-N 3.11Å; T415-Y421 WeakPolarHBondContact O-CA 3.48Å; T415-R422 HydrophobicContact CG2-CB 4.48Å; T415-R422 PolarHBondContact O-N 3.04Å; T415-R422 PolarHBondContact OG1-N 3.18Å; T415-R422 VanDerWaalsContact OG1-N 3.1Å
416	Y	95.8	Very high	95.5	Very high	23 Å²	23	47.7 Å²	47.7	9%	0.09	25%	0.247	C	C	.	.			trans	-71	137.5	177.7	-177.8	-86.5	0	0	0	111.1	V412 N413 G419 T420 V556 F558 E560 A643	V412-Y416 WeakPolarHBondContact O-CB 3.46Å; V412-Y416 PolarHBondContact O-N 3.5Å; N413-Y416 PolarHBondContact O-N 3.05Å; Y416-G419 WeakPolarHBondContact OH-CA 3.43Å; Y416-G419 PolarHBondContact OH-N 3.32Å; Y416-T420 CarbonylContact C-O 3.52Å; Y416-T420 VanDerWaalsContact CA-O 3.31Å; Y416-T420 WeakPolarHBondContact CA-O 3.26Å; Y416-V556 HydrophobicContact CD2-CG1 4.01Å; Y416-V556 HydrophobicContact CE2-CB 4.31Å; Y416-V556 HydrophobicContact CE2-CG1 4.03Å; Y416-V556 WeakPolarHBondContact CE2-O 3.28Å; Y416-V556 PolarHBondContact OH-O 3.36Å; Y416-V556 VanDerWaalsContact OH-O 3.04Å; Y416-F558 HydrophobicContact CD1-CB 3.68Å; Y416-F558 HydrophobicContact CD1-CD2 4.46Å; Y416-F558 HydrophobicContact CD2-CD2 4.01Å; Y416-F558 HydrophobicContact CE1-CB 4.22Å; Y416-F558 HydrophobicContact CG-CB 3.94Å; Y416-F558 AromaticContact CG-CD2 3.88Å; Y416-F558 HydrophobicContact CG-CD2 3.88Å; Y416-F558 HydrophobicContact CG-CG 4.36Å; Y416-E560 HydrophobicContact CE1-CB 4.06Å; Y416-E560 HydrophobicContact CE1-CG 3.97Å; Y416-E560 VanDerWaalsContact CE1-OE2 3.29Å; Y416-E560 WeakPolarHBondContact CE1-OE2 3.35Å; Y416-A643 HydrophobicContact CE2-CB 4.39Å
417	C	93.6	Very high	95.4	Very high	71 Å²	71	50.8 Å²	50.8	48%	0.48	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-163.8	128.5	176.9	-176.7	0	0	0	0	110.2	G419 T420	C417-G419 PolarHBondContact O-N 3.44Å; C417-G419 VanDerWaalsContact O-N 3.15Å; C417-T420 PolarHBondContact N-O 2.87Å; C417-T420 PolarHBondContact O-N 2.84Å; C417-T420 VanDerWaalsContact O-N 3.16Å
418	C	91.9	Very high	95.2	Very high	96 Å²	96	51.1 Å²	51.1	65%	0.649	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	30.9	173.1	-63	0	0	0	0	115.1	E560 R566	C418-E560 WeakPolarHBondContact CA-OE2 3.45Å; C418-E560 PolarHBondContact N-OE1 3.15Å; C418-E560 PolarHBondContact N-OE2 3.24Å; C418-R566 PolarHBondContact O-NH1 2.98Å
419	G	93.2	Very high	95.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	7.7	-179.4	0	0	0	0	0	116.7	Y416 C417 E560 S642 A643	Y416-G419 WeakPolarHBondContact OH-CA 3.43Å; Y416-G419 PolarHBondContact OH-N 3.32Å; C417-G419 PolarHBondContact O-N 3.44Å; C417-G419 VanDerWaalsContact O-N 3.15Å; G419-E560 PolarHBondContact N-OE2 3.41Å; G419-S642 CarbonylContact O-C 3.48Å; G419-S642 WeakPolarHBondContact O-CA 3.18Å; G419-S642 WeakPolarHBondContact O-CB 3.25Å; G419-A643 WeakPolarHBondContact O-CB 3.18Å; G419-A643 PolarHBondContact O-N 3.42Å
420	T	96.2	Very high	95.1	Very high	36 Å²	36	49.9 Å²	49.9	22%	0.221	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-133.4	163.9	169.1	59.7	0	0	0	0	110.8	Y416 C417 P486	Y416-T420 CarbonylContact C-O 3.52Å; Y416-T420 VanDerWaalsContact CA-O 3.31Å; Y416-T420 WeakPolarHBondContact CA-O 3.26Å; C417-T420 PolarHBondContact N-O 2.87Å; C417-T420 PolarHBondContact O-N 2.84Å; C417-T420 VanDerWaalsContact O-N 3.16Å; T420-P486 WeakPolarHBondContact CA-O 3.49Å; T420-P486 WeakPolarHBondContact CB-O 3.3Å
421	Y	95.6	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.			trans	-132.8	159.2	173.9	67.4	-96.5	0	0	0	112.4	F408 V412 T415 A423 V484 R485 P486 Q489 A643	F408-Y421 HydrophobicContact CZ-CE2 4.42Å; V412-Y421 HydrophobicContact CB-CD2 4.35Å; V412-Y421 HydrophobicContact CB-CG 4.39Å; V412-Y421 HydrophobicContact CG1-CD1 3.54Å; V412-Y421 HydrophobicContact CG1-CD2 4.05Å; V412-Y421 HydrophobicContact CG1-CE1 3.92Å; V412-Y421 HydrophobicContact CG1-CE2 4.44Å; V412-Y421 HydrophobicContact CG1-CG 3.63Å; V412-Y421 HydrophobicContact CG2-CD2 3.98Å; V412-Y421 HydrophobicContact CG2-CE1 4.31Å; V412-Y421 HydrophobicContact CG2-CE2 3.8Å; V412-Y421 HydrophobicContact CG2-CG 4.4Å; T415-Y421 WeakPolarHBondContact O-CA 3.48Å; Y421-A423 HydrophobicContact CD2-CB 3.81Å; Y421-A423 HydrophobicContact CE2-CB 3.93Å; Y421-A423 WeakPolarHBondContact CE2-O 3.4Å; Y421-V484 HydrophobicContact CE1-CG1 4.2Å; Y421-R485 WeakPolarHBondContact CE1-O 3.46Å; Y421-P486 HydrophobicContact CD1-CB 4.08Å; Y421-P486 HydrophobicContact CD2-CB 3.98Å; Y421-P486 HydrophobicContact CE1-CB 3.88Å; Y421-P486 HydrophobicContact CE2-CB 3.71Å; Y421-P486 HydrophobicContact CG-CB 4.12Å; Y421-P486 WeakPolarHBondContact O-CB 3.43Å; Y421-Q489 PolarHBondContact O-NE2 3.01Å; Y421-A643 HydrophobicContact CD1-CB 3.58Å; Y421-A643 HydrophobicContact CE1-CB 3.88Å
422	R	94.4	Very high	95	Very high	113 Å²	113	43 Å²	43	43%	0.426	21%	0.209	S	C	.	.	S	Bend	trans	-111.8	49.3	-177.7	-55.9	-171.4	-166.7	160.6	10.5	113.1	L395 T415 I491 D495	L395-R422 HydrophobicContact CD2-CB 4.37Å; T415-R422 HydrophobicContact CG2-CB 4.48Å; T415-R422 PolarHBondContact O-N 3.04Å; T415-R422 PolarHBondContact OG1-N 3.18Å; T415-R422 VanDerWaalsContact OG1-N 3.1Å; R422-I491 HydrophobicContact CG-CD1 4.05Å; R422-D495 WeakPolarHBondContact CD-OD2 3.48Å; R422-D495 IonicContact CZ-OD2 3.28Å; R422-D495 IonicContact NE-OD2 3.01Å; R422-D495 IonicContact NH1-OD2 3.54Å; R422-D495 PolarHBondContact NH1-OD2 3.32Å
423	A	93	Very high	94.6	Very high	8 Å²	8	44 Å²	44	7%	0.066	22%	0.219	C	C	.	.	S	Bend	trans	-119.5	165.3	159.6	0	0	0	0	0	107.3	Q411 Y421	Q411-A423 HydrophobicContact CB-CB 4.38Å; Y421-A423 HydrophobicContact CD2-CB 3.81Å; Y421-A423 HydrophobicContact CE2-CB 3.93Å; Y421-A423 WeakPolarHBondContact CE2-O 3.4Å
424	G	93.5	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-77	164.7	176.7	0	0	0	0	0	112.3	E393	E393-G424 VanDerWaalsContact O-CA 3.22Å; E393-G424 WeakPolarHBondContact O-CA 3.42Å
425	P	96.4	Very high	92.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.013	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-64.9	148.1	-178	26.6	-35.3	0	0	0	112.3	M392 E393 V484 F527	M392-P425 CarbonylContact C-O 3.56Å; M392-P425 WeakPolarHBondContact CA-O 3.37Å; E393-P425 HydrophobicContact CB-CG 4.08Å; E393-P425 HydrophobicContact CG-CG 4.2Å; E393-P425 PolarHBondContact N-O 3.21Å; P425-V484 WeakPolarHBondContact CA-O 3.37Å; P425-F527 HydrophobicContact CG-CZ 4.39Å
426	M	96.9	Very high	91.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.9	164.3	-159.2	-175.5	84.1	0	0	108.9	V390 I405 F408 I429 M482 V484	V390-M426 HydrophobicContact CB-CG 4.01Å; V390-M426 HydrophobicContact CB-SD 3.88Å; V390-M426 HydrophobicContact CG1-CG 4.46Å; V390-M426 HydrophobicContact CG1-SD 3.69Å; V390-M426 HydrophobicContact CG2-CG 4.43Å; V390-M426 HydrophobicContact CG2-SD 4.32Å; I405-M426 HydrophobicContact CD1-SD 4.38Å; F408-M426 HydrophobicContact CD1-CB 4.37Å; F408-M426 HydrophobicContact CD1-CG 4.36Å; F408-M426 HydrophobicContact CD1-SD 3.92Å; F408-M426 HydrophobicContact CE1-CB 3.79Å; F408-M426 HydrophobicContact CE1-CG 4.26Å; F408-M426 HydrophobicContact CE1-SD 4.03Å; F408-M426 HydrophobicContact CE2-CB 4.19Å; F408-M426 HydrophobicContact CZ-CB 3.7Å; F408-M426 HydrophobicContact CZ-CG 4.5Å; M426-I429 HydrophobicContact CE-CG1 4.4Å; M426-I429 HydrophobicContact CE-CG2 4.42Å; M426-M482 HydrophobicContact CE-CE 3.91Å; M426-V484 HydrophobicContact CB-CB 3.92Å; M426-V484 HydrophobicContact CB-CG2 4.31Å; M426-V484 HydrophobicContact CE-CG2 4.01Å; M426-V484 PolarHBondContact N-O 2.95Å; M426-V484 HydrophobicContact SD-CG2 4.23Å
427	R	95.1	Very high	91	Very high	104 Å²	104	48.5 Å²	48.5	39%	0.392	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	168.2	169.4	-66	-173.2	162.7	-148.6	-3.6	110.4	K391 E393 I400	K391-R427 HydrophobicContact CB-CB 4.27Å; K391-R427 WeakPolarHBondContact O-CB 3.36Å; K391-R427 PolarHBondContact O-N 2.8Å; E393-R427 HydrophobicContact CG-CG 4.24Å; E393-R427 IonicContact OE1-CZ 2.71Å; E393-R427 VanDerWaalsContact OE1-CZ 3.26Å; E393-R427 IonicContact OE1-NE 3.75Å; E393-R427 PolarHBondContact OE1-NE 3.12Å; E393-R427 IonicContact OE1-NH2 2.65Å; E393-R427 PolarHBondContact OE1-NH2 3.46Å; I400-R427 VanDerWaalsContact CD1-CZ 3.41Å
428	Q	95	Very high	90.4	Very high	93 Å²	93	49.1 Å²	49.1	44%	0.435	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	143.4	179.5	76.8	-163.7	42.7	0	0	112.3	E438 I481 M482 W483	Q428-E438 PolarHBondContact NE2-OE1 3.15Å; Q428-E438 VanDerWaalsContact NE2-OE1 3.07Å; Q428-I481 HydrophobicContact CB-CB 4.38Å; Q428-I481 HydrophobicContact CB-CD1 4.14Å; Q428-I481 HydrophobicContact CG-CD1 4.43Å; Q428-M482 CarbonylContact C-O 3.56Å; Q428-M482 VanDerWaalsContact CA-O 3.29Å; Q428-M482 WeakPolarHBondContact CA-O 3.13Å; Q428-W483 HydrophobicContact CB-CB 4.32Å
429	I	95.8	Very high	90.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.9	161.3	66.6	171.9	0	0	0	109.9	V390 M426 L431 V439 I481 M482	V390-I429 HydrophobicContact CG1-CG2 4.23Å; M426-I429 HydrophobicContact CE-CG1 4.4Å; M426-I429 HydrophobicContact CE-CG2 4.42Å; I429-L431 HydrophobicContact CD1-CD2 4.31Å; I429-L431 HydrophobicContact CG1-CD2 4.26Å; I429-V439 CarbonylContact C-O 3.57Å; I429-V439 WeakPolarHBondContact CA-O 3.38Å; I429-V439 VanDerWaalsContact CB-O 3.28Å; I429-V439 WeakPolarHBondContact CB-O 3.35Å; I429-V439 HydrophobicContact CG2-CB 4.24Å; I429-I481 CarbonylContact O-C 3.4Å; I429-I481 VanDerWaalsContact O-CA 3.25Å; I429-I481 WeakPolarHBondContact O-CA 3.41Å; I429-M482 HydrophobicContact CD1-CE 3.84Å; I429-M482 HydrophobicContact CG1-CB 4.11Å; I429-M482 HydrophobicContact CG1-CE 4.23Å; I429-M482 PolarHBondContact N-O 3.43Å; I429-M482 PolarHBondContact O-N 2.91Å
430	S	96.6	Very high	90.2	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	141.7	169.4	174.2	0	0	0	0	110.6	V432 G433 V439 G440 D441	S430-V432 VanDerWaalsContact OG-CG2 3.31Å; S430-V432 WeakPolarHBondContact OG-CG2 3.43Å; S430-V432 PolarHBondContact OG-N 2.89Å; S430-G433 WeakPolarHBondContact CB-O 3.44Å; S430-G433 PolarHBondContact OG-N 3.38Å; S430-G433 PolarHBondContact OG-O 2.69Å; S430-V439 PolarHBondContact N-O 3.38Å; S430-G440 VanDerWaalsContact O-CA 3.24Å; S430-G440 WeakPolarHBondContact O-CA 3.49Å; S430-D441 PolarHBondContact O-N 2.92Å
431	L	96.6	Very high	90.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-102.3	-7	172.9	-55.8	-172.7	0	0	0	113.8	F381 I429 D441 F443 F446 L447 P480 M482 L647	F381-L431 HydrophobicContact CE1-CD2 4.18Å; F381-L431 HydrophobicContact CE2-CD2 4.29Å; F381-L431 HydrophobicContact CZ-CD1 4.29Å; F381-L431 HydrophobicContact CZ-CD2 3.71Å; I429-L431 HydrophobicContact CD1-CD2 4.31Å; I429-L431 HydrophobicContact CG1-CD2 4.26Å; L431-D441 CarbonylContact C-O 3.54Å; L431-F443 HydrophobicContact CB-CD2 4.17Å; L431-F443 HydrophobicContact CD2-CD2 3.68Å; L431-F443 HydrophobicContact CD2-CE2 3.82Å; L431-F443 PolarHBondContact O-N 3.34Å; L431-F443 VanDerWaalsContact O-N 3.12Å; L431-F446 HydrophobicContact CD1-CD1 3.74Å; L431-F446 HydrophobicContact CD1-CE1 3.59Å; L431-L447 HydrophobicContact CB-CD2 4.37Å; L431-P480 HydrophobicContact CD1-CB 4.44Å; L431-P480 PolarHBondContact N-O 3.5Å; L431-M482 HydrophobicContact CD1-CB 4.28Å; L431-M482 HydrophobicContact CD2-CB 4.09Å; L431-M482 HydrophobicContact CG-CB 4.29Å; L431-L647 HydrophobicContact CD1-CD2 3.56Å
432	V	94.2	Very high	90.1	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-100.4	-14.6	179.1	-71.2	0	0	0	0	112.5	S430 Y442 L447 W462 S474 S476 G479	S430-V432 VanDerWaalsContact OG-CG2 3.31Å; S430-V432 WeakPolarHBondContact OG-CG2 3.43Å; S430-V432 PolarHBondContact OG-N 2.89Å; V432-Y442 WeakPolarHBondContact O-CD2 3.33Å; V432-L447 HydrophobicContact CG1-CD1 4.09Å; V432-W462 HydrophobicContact CG1-CH2 3.67Å; V432-W462 HydrophobicContact CG1-CZ3 3.75Å; V432-S474 WeakPolarHBondContact O-CA 3.49Å; V432-S474 WeakPolarHBondContact O-CB 3.08Å; V432-S476 WeakPolarHBondContact CG2-O 3.12Å; V432-G479 WeakPolarHBondContact CG1-O 3.48Å
433	G	87.5	Confident	90.2	Very high	21 Å²	21	47.3 Å²	47.3	22%	0.216	25%	0.25	C	C	.	.			trans	134.8	144.9	-177.2	0	0	0	0	0	110.8	S430 D441	S430-G433 WeakPolarHBondContact CB-O 3.44Å; S430-G433 PolarHBondContact OG-N 3.38Å; S430-G433 PolarHBondContact OG-O 2.69Å; G433-D441 PolarHBondContact N-O 2.95Å
434	A	79.9	Confident	90.3	Very high	53 Å²	53	48.4 Å²	48.4	44%	0.438	26%	0.256	S	S	.	.			trans	-85	135.6	-179.7	0	0	0	0	0	111.6
435	V	73.9	Confident	90.5	Very high	79 Å²	79	53.7 Å²	53.7	48%	0.479	28%	0.281	S	S	.	.			trans	-115.2	137.6	171.1	-176.7	0	0	0	0	109	E437 E438	V435-E437 PolarHBondContact O-N 3.02Å; V435-E437 VanDerWaalsContact O-N 3.15Å; V435-E438 VanDerWaalsContact O-CB 3.3Å; V435-E438 WeakPolarHBondContact O-CB 3.42Å; V435-E438 PolarHBondContact O-N 3.5Å
436	D	75.4	Confident	90.6	Very high	166 Å²	166	53.6 Å²	53.6	89%	0.888	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	-110.1	177.3	-62.7	-34.7	0	0	0	115.6
437	E	75.7	Confident	90.6	Very high	167 Å²	167	53.5 Å²	53.5	78%	0.78	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.7	-179	-67	-162.2	-179.1	0	0	113.7	K391 V435	K391-E437 PolarHBondContact NZ-O 3.37Å; V435-E437 PolarHBondContact O-N 3.02Å; V435-E437 VanDerWaalsContact O-N 3.15Å
438	E	82.7	Confident	90.7	Very high	83 Å²	83	52.2 Å²	52.2	39%	0.388	28%	0.281	S	S	.	.			trans	-65.4	164.5	175.2	-62.4	-145	128.5	0	0	111.4	Q428 V435	Q428-E438 PolarHBondContact NE2-OE1 3.15Å; Q428-E438 VanDerWaalsContact NE2-OE1 3.07Å; V435-E438 VanDerWaalsContact O-CB 3.3Å; V435-E438 WeakPolarHBondContact O-CB 3.42Å; V435-E438 PolarHBondContact O-N 3.5Å
439	V	88.9	Confident	90.9	Very high	21 Å²	21	49.8 Å²	49.8	13%	0.127	27%	0.27	C	S	.	.			trans	-126.7	149	177	-165.5	0	0	0	0	106.9	P389 K391 I429 S430	P389-V439 HydrophobicContact CB-CG1 3.91Å; P389-V439 HydrophobicContact CG-CG1 3.71Å; P389-V439 WeakPolarHBondContact O-CG1 3.39Å; K391-V439 HydrophobicContact CD-CG2 3.58Å; K391-V439 HydrophobicContact CG-CG2 3.93Å; I429-V439 CarbonylContact C-O 3.57Å; I429-V439 WeakPolarHBondContact CA-O 3.38Å; I429-V439 VanDerWaalsContact CB-O 3.28Å; I429-V439 WeakPolarHBondContact CB-O 3.35Å; I429-V439 HydrophobicContact CG2-CB 4.24Å; S430-V439 PolarHBondContact N-O 3.38Å
440	G	90.8	Very high	91	Very high	15 Å²	15	49.8 Å²	49.8	16%	0.155	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	145.4	-174.7	-172.6	0	0	0	0	0	110.9	S430	S430-G440 VanDerWaalsContact O-CA 3.24Å; S430-G440 WeakPolarHBondContact O-CA 3.49Å
441	D	93.5	Very high	91	Very high	94 Å²	94	52.1 Å²	52.1	50%	0.503	28%	0.28	S	S	.	.			trans	-154	177.6	174.6	-149.6	-23.2	0	0	0	108.2	S430 L431 G433 F443	S430-D441 PolarHBondContact O-N 2.92Å; L431-D441 CarbonylContact C-O 3.54Å; G433-D441 PolarHBondContact N-O 2.95Å; D441-F443 HydrophobicContact CB-CE1 3.84Å; D441-F443 HydrophobicContact CB-CE2 3.86Å; D441-F443 HydrophobicContact CB-CZ 3.46Å; D441-F443 VanDerWaalsContact CB-CZ 3.46Å; D441-F443 WeakPolarHBondContact O-CD2 3.31Å; D441-F443 WeakPolarHBondContact O-CE2 3.39Å
442	Y	95.4	Very high	91	Very high	76 Å²	76	58.4 Å²	58.4	30%	0.298	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-89.5	114.2	170.8	-179.9	-125.2	0	0	0	110	V432 P444 L447 R473	V432-Y442 WeakPolarHBondContact O-CD2 3.33Å; Y442-P444 VanDerWaalsContact C-CD 3.48Å; Y442-P444 HydrophobicContact CD1-CG 4.25Å; Y442-P444 HydrophobicContact CE1-CB 3.91Å; Y442-P444 HydrophobicContact CE1-CG 3.95Å; Y442-P444 WeakPolarHBondContact O-CD 3.48Å; Y442-L447 HydrophobicContact CD2-CD1 4.26Å; Y442-L447 HydrophobicContact CE2-CD1 3.76Å; Y442-R473 HydrophobicContact CE2-CB 4.01Å; Y442-R473 PolarHBondContact OH-NE 3.28Å
443	F	96.6	Very high	91.2	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	31%	0.311	C	S	.	.			trans	-113.3	72.8	-177	-53.3	-79.2	0	0	0	111.9	F381 F385 T388 L431 D441 E445 F446 L447	F381-F443 HydrophobicContact CD1-CD1 4.37Å; F381-F443 HydrophobicContact CD1-CE1 4.24Å; F381-F443 HydrophobicContact CD1-CZ 4.36Å; F381-F443 HydrophobicContact CE1-CB 4.21Å; F381-F443 AromaticContact CE1-CD1 3.81Å; F381-F443 HydrophobicContact CE1-CD1 3.81Å; F381-F443 AromaticContact CE1-CD2 3.79Å; F381-F443 HydrophobicContact CE1-CD2 3.79Å; F381-F443 HydrophobicContact CE1-CE1 4.04Å; F381-F443 HydrophobicContact CE1-CE2 4.02Å; F381-F443 AromaticContact CE1-CG 3.67Å; F381-F443 HydrophobicContact CE1-CG 3.67Å; F381-F443 HydrophobicContact CE1-CZ 4.14Å; F381-F443 HydrophobicContact CZ-CD2 4.37Å; F381-F443 HydrophobicContact CZ-CG 4.43Å; F385-F443 HydrophobicContact CB-CE1 4.14Å; F385-F443 AromaticContact CD1-CD1 3.93Å; F385-F443 HydrophobicContact CD1-CD1 3.93Å; F385-F443 AromaticContact CD1-CE1 3.78Å; F385-F443 HydrophobicContact CD1-CE1 3.78Å; F385-F443 AromaticContact CD2-CD1 3.87Å; F385-F443 HydrophobicContact CD2-CD1 3.87Å; F385-F443 AromaticContact CD2-CE1 3.96Å; F385-F443 HydrophobicContact CD2-CE1 3.96Å; F385-F443 AromaticContact CE1-CD1 3.81Å; F385-F443 HydrophobicContact CE1-CD1 3.81Å; F385-F443 HydrophobicContact CE1-CE1 4.15Å; F385-F443 AromaticContact CE2-CD1 3.75Å; F385-F443 HydrophobicContact CE2-CD1 3.75Å; F385-F443 HydrophobicContact CE2-CE1 4.31Å; F385-F443 AromaticContact CG-CD1 3.96Å; F385-F443 HydrophobicContact CG-CD1 3.96Å; F385-F443 AromaticContact CG-CE1 3.68Å; F385-F443 HydrophobicContact CG-CE1 3.68Å; F385-F443 AromaticContact CZ-CD1 3.72Å; F385-F443 HydrophobicContact CZ-CD1 3.72Å; F385-F443 HydrophobicContact CZ-CE1 4.4Å; T388-F443 HydrophobicContact CG2-CZ 4.15Å; L431-F443 HydrophobicContact CB-CD2 4.17Å; L431-F443 HydrophobicContact CD2-CD2 3.68Å; L431-F443 HydrophobicContact CD2-CE2 3.82Å; L431-F443 PolarHBondContact O-N 3.34Å; L431-F443 VanDerWaalsContact O-N 3.12Å; D441-F443 HydrophobicContact CB-CE1 3.84Å; D441-F443 HydrophobicContact CB-CE2 3.86Å; D441-F443 HydrophobicContact CB-CZ 3.46Å; D441-F443 VanDerWaalsContact CB-CZ 3.46Å; D441-F443 WeakPolarHBondContact O-CD2 3.31Å; D441-F443 WeakPolarHBondContact O-CE2 3.39Å; F443-E445 VanDerWaalsContact C-N 3.33Å; F443-E445 PolarHBondContact O-N 3.06Å; F443-F446 HydrophobicContact CB-CB 4.13Å; F443-F446 PolarHBondContact O-N 3.23Å; F443-F446 VanDerWaalsContact O-N 3.1Å; F443-L447 WeakPolarHBondContact O-CG 3.49Å; F443-L447 PolarHBondContact O-N 3.3Å; F443-L447 VanDerWaalsContact O-N 3.1Å
444	P	96.3	Very high	91.6	Very high	30 Å²	30	59 Å²	59	20%	0.195	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-39.6	-170.9	22.2	-31.3	0	0	0	113.4	Y442 F446 L447 D448	Y442-P444 VanDerWaalsContact C-CD 3.48Å; Y442-P444 HydrophobicContact CD1-CG 4.25Å; Y442-P444 HydrophobicContact CE1-CB 3.91Å; Y442-P444 HydrophobicContact CE1-CG 3.95Å; Y442-P444 WeakPolarHBondContact O-CD 3.48Å; P444-F446 VanDerWaalsContact C-N 3.25Å; P444-F446 PolarHBondContact O-N 3.18Å; P444-L447 PolarHBondContact O-N 2.9Å; P444-L447 VanDerWaalsContact O-N 3.14Å; P444-D448 PolarHBondContact O-N 3.21Å
445	E	97.2	Very high	92.5	Very high	112 Å²	112	56.6 Å²	56.6	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-29.5	-179.4	-57.1	78.8	-174.2	0	0	112.4	F443 M449	F443-E445 VanDerWaalsContact C-N 3.33Å; F443-E445 PolarHBondContact O-N 3.06Å; E445-M449 PolarHBondContact O-N 3.38Å
446	F	97.8	Very high	93.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-78.1	-36.7	174.2	-173.3	-91.7	0	0	0	111.7	F377 Y380 F381 L431 F443 P444 D448 M449 L450 L647	F377-F446 AromaticContact CD1-CE2 3.86Å; F377-F446 HydrophobicContact CD1-CE2 3.86Å; F377-F446 AromaticContact CD1-CZ 3.59Å; F377-F446 HydrophobicContact CD1-CZ 3.59Å; F377-F446 HydrophobicContact CE1-CE2 4.18Å; F377-F446 AromaticContact CE1-CZ 3.68Å; F377-F446 HydrophobicContact CE1-CZ 3.68Å; F377-F446 HydrophobicContact CG-CZ 4.31Å; F377-F446 HydrophobicContact CZ-CZ 4.48Å; Y380-F446 AromaticContact CD1-CD2 3.66Å; Y380-F446 HydrophobicContact CD1-CD2 3.66Å; Y380-F446 HydrophobicContact CD1-CE2 4.07Å; Y380-F446 HydrophobicContact CE1-CB 4.06Å; Y380-F446 AromaticContact CE1-CD2 3.45Å; Y380-F446 HydrophobicContact CE1-CD2 3.45Å; Y380-F446 VanDerWaalsContact CE1-CD2 3.45Å; Y380-F446 HydrophobicContact CE1-CE2 4.32Å; Y380-F446 HydrophobicContact CE1-CG 4.14Å; Y380-F446 HydrophobicContact CG-CD2 4.37Å; Y380-F446 AromaticContact CZ-CD2 3.99Å; F381-F446 HydrophobicContact CE2-CD1 4.27Å; F381-F446 AromaticContact CE2-CD2 3.95Å; F381-F446 HydrophobicContact CE2-CD2 3.95Å; F381-F446 HydrophobicContact CE2-CE1 4.14Å; F381-F446 AromaticContact CE2-CE2 3.81Å; F381-F446 HydrophobicContact CE2-CE2 3.81Å; F381-F446 HydrophobicContact CE2-CG 4.17Å; F381-F446 AromaticContact CE2-CZ 3.9Å; F381-F446 HydrophobicContact CE2-CZ 3.9Å; F381-F446 HydrophobicContact CZ-CB 4.17Å; F381-F446 AromaticContact CZ-CD1 3.84Å; F381-F446 HydrophobicContact CZ-CD1 3.84Å; F381-F446 AromaticContact CZ-CD2 3.84Å; F381-F446 HydrophobicContact CZ-CD2 3.84Å; F381-F446 HydrophobicContact CZ-CE1 4.15Å; F381-F446 HydrophobicContact CZ-CE2 4.16Å; F381-F446 AromaticContact CZ-CG 3.66Å; F381-F446 HydrophobicContact CZ-CG 3.66Å; F381-F446 HydrophobicContact CZ-CZ 4.3Å; L431-F446 HydrophobicContact CD1-CD1 3.74Å; L431-F446 HydrophobicContact CD1-CE1 3.59Å; F443-F446 HydrophobicContact CB-CB 4.13Å; F443-F446 PolarHBondContact O-N 3.23Å; F443-F446 VanDerWaalsContact O-N 3.1Å; P444-F446 VanDerWaalsContact C-N 3.25Å; P444-F446 PolarHBondContact O-N 3.18Å; F446-D448 VanDerWaalsContact C-N 3.32Å; F446-M449 HydrophobicContact CB-CE 4.28Å; F446-M449 HydrophobicContact CD2-CE 3.51Å; F446-M449 HydrophobicContact CE2-CE 4.21Å; F446-M449 HydrophobicContact CG-CE 4.21Å; F446-M449 PolarHBondContact O-N 2.91Å; F446-L450 HydrophobicContact CD1-CD1 4.35Å; F446-L450 HydrophobicContact CD1-CG 4.39Å; F446-L450 HydrophobicContact CE1-CD1 4.11Å; F446-L450 HydrophobicContact CE1-CD2 4.17Å; F446-L450 HydrophobicContact CE1-CG 4.17Å; F446-L450 PolarHBondContact O-N 2.67Å; F446-L450 VanDerWaalsContact O-N 3.16Å; F446-L647 HydrophobicContact CE1-CD1 3.85Å; F446-L647 HydrophobicContact CE1-CD2 4.28Å; F446-L647 HydrophobicContact CZ-CD1 4Å
447	L	97.6	Very high	94.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-38.3	172.7	-62.3	177	0	0	0	111.4	L431 V432 Y442 F443 P444 M449 L450 E451 W462 R473 P480	L431-L447 HydrophobicContact CB-CD2 4.37Å; V432-L447 HydrophobicContact CG1-CD1 4.09Å; Y442-L447 HydrophobicContact CD2-CD1 4.26Å; Y442-L447 HydrophobicContact CE2-CD1 3.76Å; F443-L447 WeakPolarHBondContact O-CG 3.49Å; F443-L447 PolarHBondContact O-N 3.3Å; F443-L447 VanDerWaalsContact O-N 3.1Å; P444-L447 PolarHBondContact O-N 2.9Å; P444-L447 VanDerWaalsContact O-N 3.14Å; L447-M449 VanDerWaalsContact C-N 3.32Å; L447-M449 PolarHBondContact O-N 3.18Å; L447-L450 HydrophobicContact CD2-CD1 4.19Å; L447-L450 WeakPolarHBondContact O-CB 3.44Å; L447-L450 PolarHBondContact O-N 2.95Å; L447-L450 VanDerWaalsContact O-N 3.07Å; L447-E451 PolarHBondContact O-N 2.82Å; L447-W462 HydrophobicContact CB-CZ2 4.48Å; L447-W462 HydrophobicContact CD1-CH2 4.06Å; L447-W462 HydrophobicContact CD1-CZ2 4.2Å; L447-W462 HydrophobicContact CD2-CH2 4.07Å; L447-W462 HydrophobicContact CD2-CZ2 4.23Å; L447-R473 HydrophobicContact CD1-CB 4.3Å; L447-P480 HydrophobicContact CD2-CG 4.19Å
448	D	97.9	Very high	95.8	Very high	77 Å²	77	43 Å²	43	41%	0.412	21%	0.214	S	C	.	.	H	α-helix	trans	-59.9	-40.9	174.9	-64.7	-21.7	0	0	0	111.2	P444 F446 L450 E451 E452 R473	P444-D448 PolarHBondContact O-N 3.21Å; F446-D448 VanDerWaalsContact C-N 3.32Å; D448-L450 PolarHBondContact O-N 2.87Å; D448-E451 PolarHBondContact O-N 3.27Å; D448-E452 PolarHBondContact O-N 3.37Å; D448-R473 IonicContact OD1-CZ 3.17Å; D448-R473 IonicContact OD1-NH1 3.75Å; D448-R473 PolarHBondContact OD1-NH1 2.74Å; D448-R473 IonicContact OD1-NH2 3.29Å; D448-R473 PolarHBondContact OD1-NH2 3.35Å
449	M	98.1	Very high	96.5	Very high	42 Å²	42	39.1 Å²	39.1	21%	0.207	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-35.9	172.1	-69.4	-172.3	-67.7	0	0	113.1	Y373 L374 P375 Y380 E445 F446 L447 E451 E452	Y373-M449 WeakPolarHBondContact CE2-O 3.38Å; Y373-M449 PolarHBondContact OH-O 3.36Å; L374-M449 HydrophobicContact CD2-CB 3.91Å; P375-M449 HydrophobicContact CG-CE 4.32Å; Y380-M449 HydrophobicContact CD2-CE 4.26Å; Y380-M449 HydrophobicContact CE1-CE 4.37Å; Y380-M449 HydrophobicContact CE2-CE 3.59Å; E445-M449 PolarHBondContact O-N 3.38Å; F446-M449 HydrophobicContact CB-CE 4.28Å; F446-M449 HydrophobicContact CD2-CE 3.51Å; F446-M449 HydrophobicContact CE2-CE 4.21Å; F446-M449 HydrophobicContact CG-CE 4.21Å; F446-M449 PolarHBondContact O-N 2.91Å; L447-M449 VanDerWaalsContact C-N 3.32Å; L447-M449 PolarHBondContact O-N 3.18Å; M449-E451 VanDerWaalsContact C-N 3.27Å; M449-E451 PolarHBondContact O-N 3.05Å; M449-E452 PolarHBondContact O-N 3.17Å
450	L	97.9	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-36.8	173.3	-61.8	179.6	0	0	0	111.2	Y373 L374 F446 L447 D448 E452 S453 L456 L460 P480 L647 W649	Y373-L450 PolarHBondContact OH-O 3.4Å; L374-L450 HydrophobicContact CD1-CD2 3.76Å; L374-L450 HydrophobicContact CD2-CD2 4.22Å; F446-L450 HydrophobicContact CD1-CD1 4.35Å; F446-L450 HydrophobicContact CD1-CG 4.39Å; F446-L450 HydrophobicContact CE1-CD1 4.11Å; F446-L450 HydrophobicContact CE1-CD2 4.17Å; F446-L450 HydrophobicContact CE1-CG 4.17Å; F446-L450 PolarHBondContact O-N 2.67Å; F446-L450 VanDerWaalsContact O-N 3.16Å; L447-L450 HydrophobicContact CD2-CD1 4.19Å; L447-L450 WeakPolarHBondContact O-CB 3.44Å; L447-L450 PolarHBondContact O-N 2.95Å; L447-L450 VanDerWaalsContact O-N 3.07Å; D448-L450 PolarHBondContact O-N 2.87Å; L450-E452 PolarHBondContact O-N 2.84Å; L450-S453 PolarHBondContact O-N 3.25Å; L450-L456 HydrophobicContact CB-CD1 4.47Å; L450-L456 HydrophobicContact CD2-CD1 4.2Å; L450-L456 VanDerWaalsContact O-CB 3.32Å; L450-L456 WeakPolarHBondContact O-CB 3.15Å; L450-L460 HydrophobicContact CB-CD1 4.34Å; L450-P480 HydrophobicContact CD1-CG 4.17Å; L450-L647 HydrophobicContact CD1-CD1 4.23Å; L450-L647 HydrophobicContact CD2-CD1 3.7Å; L450-W649 HydrophobicContact CD1-CZ3 4.44Å
451	E	96.9	Very high	97.2	Very high	53 Å²	53	37.4 Å²	37.4	25%	0.248	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.3	178.7	-68.9	177.2	-150.6	0	0	114.6	L447 D448 M449 S453 K457 L460 W462 R473	L447-E451 PolarHBondContact O-N 2.82Å; D448-E451 PolarHBondContact O-N 3.27Å; M449-E451 VanDerWaalsContact C-N 3.27Å; M449-E451 PolarHBondContact O-N 3.05Å; E451-S453 VanDerWaalsContact C-N 3.33Å; E451-K457 WeakPolarHBondContact O-CB 3.49Å; E451-K457 WeakPolarHBondContact O-CD 3.37Å; E451-L460 HydrophobicContact CG-CD1 3.56Å; E451-W462 PolarHBondContact OE1-NE1 3.19Å; E451-R473 WeakPolarHBondContact OE1-CD 3.16Å; E451-R473 IonicContact OE1-CZ 2.98Å; E451-R473 IonicContact OE1-NH1 3.77Å; E451-R473 PolarHBondContact OE1-NH1 2.72Å; E451-R473 IonicContact OE2-NH1 2.68Å
452	E	97.1	Very high	97.3	Very high	133 Å²	133	35.6 Å²	35.6	62%	0.621	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.1	172.2	-64.7	-174.9	152.8	0	0	112.7	Y373 D448 M449 L450	Y373-E452 HydrophobicContact CE2-CB 3.88Å; D448-E452 PolarHBondContact O-N 3.37Å; M449-E452 PolarHBondContact O-N 3.17Å; L450-E452 PolarHBondContact O-N 2.84Å
453	S	97.4	Very high	97.3	Very high	7 Å²	7	32.4 Å²	32.4	5%	0.049	16%	0.159	C	C	.	.	S	Bend	trans	-78.4	123.7	175.9	172.3	0	0	0	0	110.4	Y373 L450 E451 F455 L456 K457	Y373-S453 VanDerWaalsContact OH-CB 3.27Å; Y373-S453 WeakPolarHBondContact OH-CB 3.23Å; Y373-S453 PolarHBondContact OH-N 2.9Å; L450-S453 PolarHBondContact O-N 3.25Å; E451-S453 VanDerWaalsContact C-N 3.33Å; S453-F455 PolarHBondContact O-N 3.15Å; S453-L456 PolarHBondContact O-N 2.77Å; S453-L456 VanDerWaalsContact O-N 3.14Å; S453-K457 VanDerWaalsContact O-CB 3.25Å; S453-K457 WeakPolarHBondContact O-CB 3.45Å; S453-K457 PolarHBondContact O-N 3.23Å
454	P	97.3	Very high	97.3	Very high	29 Å²	29	36.6 Å²	36.6	19%	0.188	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-32.7	-179.8	22.8	-31	0	0	0	112.1	M340 E341 S344 M458	M340-P454 HydrophobicContact CG-CG 3.67Å; E341-P454 HydrophobicContact CG-CB 4.34Å; S344-P454 WeakPolarHBondContact OG-CG 3.35Å; P454-M458 WeakPolarHBondContact O-CE 3.5Å; P454-M458 WeakPolarHBondContact O-CG 3.41Å; P454-M458 PolarHBondContact O-N 2.83Å
455	F	98.3	Very high	97.2	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-52.6	173.6	-54.2	-85.6	0	0	0	111.5	L332 M340 F343 S344 F347 V367 S453 M458 T459 F629	L332-F455 HydrophobicContact CD1-CE2 4.46Å; L332-F455 HydrophobicContact CD1-CZ 3.94Å; M340-F455 HydrophobicContact SD-CE2 4.28Å; M340-F455 HydrophobicContact SD-CZ 4.45Å; F343-F455 HydrophobicContact CD1-CE1 4Å; F343-F455 AromaticContact CD1-CZ 3.78Å; F343-F455 HydrophobicContact CD1-CZ 3.78Å; F343-F455 AromaticContact CE1-CE1 3.86Å; F343-F455 HydrophobicContact CE1-CE1 3.86Å; F343-F455 AromaticContact CE1-CZ 3.74Å; F343-F455 HydrophobicContact CE1-CZ 3.74Å; S344-F455 WeakPolarHBondContact OG-CE1 3.23Å; S344-F455 WeakPolarHBondContact OG-CZ 3.39Å; F347-F455 HydrophobicContact CB-CE1 4.43Å; F347-F455 HydrophobicContact CD1-CD1 4.46Å; F347-F455 HydrophobicContact CD1-CE1 4.19Å; F347-F455 HydrophobicContact CG-CE1 4.45Å; V367-F455 HydrophobicContact CG1-CE2 4.16Å; V367-F455 HydrophobicContact CG1-CZ 4.03Å; V367-F455 HydrophobicContact CG2-CD1 4.08Å; V367-F455 HydrophobicContact CG2-CE1 3.83Å; V367-F455 HydrophobicContact CG2-CZ 4.1Å; S453-F455 PolarHBondContact O-N 3.15Å; F455-M458 PolarHBondContact O-N 3.46Å; F455-T459 WeakPolarHBondContact O-CG2 3.18Å; F455-T459 PolarHBondContact O-N 3.16Å; F455-T459 PolarHBondContact O-OG1 2.88Å; F455-T459 VanDerWaalsContact O-OG1 3.05Å; F455-F629 HydrophobicContact CB-CZ 3.98Å
456	L	98.4	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.7	-41.5	-175.5	-57.3	-175.1	0	0	0	111.8	L450 S453 M458 T459 L460 V550 V552 I627 W649	L450-L456 HydrophobicContact CB-CD1 4.47Å; L450-L456 HydrophobicContact CD2-CD1 4.2Å; L450-L456 VanDerWaalsContact O-CB 3.32Å; L450-L456 WeakPolarHBondContact O-CB 3.15Å; S453-L456 PolarHBondContact O-N 2.77Å; S453-L456 VanDerWaalsContact O-N 3.14Å; L456-M458 PolarHBondContact O-N 3.39Å; L456-T459 CarbonylContact O-C 3.51Å; L456-T459 PolarHBondContact O-N 2.87Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.34Å; L456-V550 HydrophobicContact CD2-CG1 4.19Å; L456-V552 HydrophobicContact CD1-CG2 4Å; L456-V552 HydrophobicContact CD2-CG2 3.95Å; L456-I627 HydrophobicContact CD1-CD1 4.1Å; L456-I627 HydrophobicContact CD2-CD1 3.89Å; L456-I627 HydrophobicContact CD2-CG1 4.44Å; L456-I627 HydrophobicContact CD2-CG2 3.59Å; L456-I627 HydrophobicContact CG-CD1 3.95Å; L456-W649 HydrophobicContact CB-CH2 4.47Å; L456-W649 HydrophobicContact CB-CZ2 4.38Å; L456-W649 HydrophobicContact CD1-CH2 4.28Å; L456-W649 HydrophobicContact CD2-CH2 3.77Å; L456-W649 HydrophobicContact CD2-CZ2 3.84Å; L456-W649 HydrophobicContact CG-CH2 4.38Å
457	K	97.6	Very high	96.9	Very high	108 Å²	108	34.6 Å²	34.6	47%	0.47	18%	0.179	S	C	.	.	H	α-helix	trans	-53.8	-37.3	176	-172.2	-177.6	-173.9	174	0	112.9	E451 S453 G463	E451-K457 WeakPolarHBondContact O-CB 3.49Å; E451-K457 WeakPolarHBondContact O-CD 3.37Å; S453-K457 VanDerWaalsContact O-CB 3.25Å; S453-K457 WeakPolarHBondContact O-CB 3.45Å; S453-K457 PolarHBondContact O-N 3.23Å; K457-G463 WeakPolarHBondContact O-CA 3.48Å
458	M	97.7	Very high	96.5	Very high	19 Å²	19	36.5 Å²	36.5	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-78.3	-31.7	176.4	-70.7	-165.3	-85.8	0	0	113.1	E345 L348 P454 F455 L456 G463 T464 L465	E345-M458 HydrophobicContact CG-CE 4.08Å; E345-M458 HydrophobicContact CG-SD 3.81Å; L348-M458 HydrophobicContact CD1-CB 4Å; L348-M458 HydrophobicContact CD1-CE 3.87Å; L348-M458 HydrophobicContact CD1-SD 4.47Å; P454-M458 WeakPolarHBondContact O-CE 3.5Å; P454-M458 WeakPolarHBondContact O-CG 3.41Å; P454-M458 PolarHBondContact O-N 2.83Å; F455-M458 PolarHBondContact O-N 3.46Å; L456-M458 PolarHBondContact O-N 3.39Å; M458-G463 CarbonylContact O-C 3.09Å; M458-T464 WeakPolarHBondContact CG-OG1 3.21Å; M458-T464 PolarHBondContact O-N 3.04Å; M458-L465 HydrophobicContact CB-CD1 4.1Å; M458-L465 HydrophobicContact CB-CG 4.17Å; M458-L465 WeakPolarHBondContact O-CB 3.49Å; M458-L465 PolarHBondContact O-N 3.08Å; M458-L465 VanDerWaalsContact O-N 3.12Å
459	T	98.1	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-103.6	-1.5	-172.6	64.6	0	0	0	0	116.4	L348 F352 F455 L456 L465 F629 W649 I651	L348-T459 HydrophobicContact CD1-CG2 3.65Å; L348-T459 HydrophobicContact CD2-CG2 3.8Å; L348-T459 HydrophobicContact CG-CG2 4.35Å; F352-T459 HydrophobicContact CE2-CG2 4.14Å; F455-T459 WeakPolarHBondContact O-CG2 3.18Å; F455-T459 PolarHBondContact O-N 3.16Å; F455-T459 PolarHBondContact O-OG1 2.88Å; F455-T459 VanDerWaalsContact O-OG1 3.05Å; L456-T459 CarbonylContact O-C 3.51Å; L456-T459 PolarHBondContact O-N 2.87Å; T459-L465 HydrophobicContact CG2-CD1 4.19Å; T459-F629 HydrophobicContact CG2-CD1 4.27Å; T459-F629 HydrophobicContact CG2-CE1 3.93Å; T459-W649 PolarHBondContact O-NE1 2.95Å; T459-I651 WeakPolarHBondContact O-CD1 3.29Å
460	L	97.6	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-61.4	160.9	169.3	-82.4	162.3	0	0	0	111.1	L450 E451 L456 W462 G463 P480 W649	L450-L460 HydrophobicContact CB-CD1 4.34Å; E451-L460 HydrophobicContact CG-CD1 3.56Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.34Å; L460-W462 HydrophobicContact CB-CD2 4.49Å; L460-W462 HydrophobicContact CD1-CZ2 4.26Å; L460-W462 HydrophobicContact CD2-CH2 4.37Å; L460-W462 HydrophobicContact CD2-CZ2 4.11Å; L460-W462 PolarHBondContact O-N 3.15Å; L460-W462 VanDerWaalsContact O-N 3.1Å; L460-G463 WeakPolarHBondContact O-CA 3.42Å; L460-G463 PolarHBondContact O-N 3.48Å; L460-P480 HydrophobicContact CD2-CG 3.59Å; L460-W649 HydrophobicContact CD2-CD2 4.11Å; L460-W649 HydrophobicContact CD2-CE3 4.42Å; L460-W649 HydrophobicContact CD2-CH2 4.09Å; L460-W649 HydrophobicContact CD2-CZ2 3.77Å; L460-W649 HydrophobicContact CD2-CZ3 4.42Å; L460-W649 HydrophobicContact CG-CZ2 4.03Å
461	P	96.4	Very high	94.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.1	-178.6	-26.4	36.3	0	0	0	114.6	S466 L468 S476 D478 W649	P461-S466 WeakPolarHBondContact O-CB 3.39Å; P461-S466 PolarHBondContact O-OG 2.84Å; P461-L468 HydrophobicContact CB-CD1 4.47Å; P461-S476 WeakPolarHBondContact CB-OG 3.43Å; P461-D478 HydrophobicContact CB-CB 4.14Å; P461-D478 HydrophobicContact CG-CB 4.04Å; P461-W649 HydrophobicContact CG-CB 4.17Å; P461-W649 HydrophobicContact CG-CG 4.34Å
462	W	96	Very high	94.6	Very high	57 Å²	57	51.4 Å²	51.4	22%	0.216	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	7.2	171.9	51.6	89.7	0	0	0	113.7	V432 L447 E451 L460 L470 R473 P480	V432-W462 HydrophobicContact CG1-CH2 3.67Å; V432-W462 HydrophobicContact CG1-CZ3 3.75Å; L447-W462 HydrophobicContact CB-CZ2 4.48Å; L447-W462 HydrophobicContact CD1-CH2 4.06Å; L447-W462 HydrophobicContact CD1-CZ2 4.2Å; L447-W462 HydrophobicContact CD2-CH2 4.07Å; L447-W462 HydrophobicContact CD2-CZ2 4.23Å; E451-W462 PolarHBondContact OE1-NE1 3.19Å; L460-W462 HydrophobicContact CB-CD2 4.49Å; L460-W462 HydrophobicContact CD1-CZ2 4.26Å; L460-W462 HydrophobicContact CD2-CH2 4.37Å; L460-W462 HydrophobicContact CD2-CZ2 4.11Å; L460-W462 PolarHBondContact O-N 3.15Å; L460-W462 VanDerWaalsContact O-N 3.1Å; W462-L470 HydrophobicContact CE3-CD1 4.27Å; W462-R473 HydrophobicContact CD2-CB 4.22Å; W462-R473 HydrophobicContact CD2-CG 3.79Å; W462-R473 VanDerWaalsContact CE2-CD 3.46Å; W462-R473 HydrophobicContact CE3-CB 4.16Å; W462-R473 HydrophobicContact CE3-CG 4.24Å; W462-R473 HydrophobicContact CG-CG 4.17Å; W462-R473 HydrophobicContact CH2-CB 4.05Å; W462-R473 HydrophobicContact CH2-CG 4.38Å; W462-R473 HydrophobicContact CZ2-CB 4.11Å; W462-R473 HydrophobicContact CZ2-CG 3.95Å; W462-R473 HydrophobicContact CZ3-CB 4.08Å; W462-P480 HydrophobicContact CH2-CG 4.49Å
463	G	95.7	Very high	94.4	Very high	9 Å²	9	47.4 Å²	47.4	9%	0.093	23%	0.232	C	C	.	.	S	Bend	trans	-70.7	166.9	-179.5	0	0	0	0	0	113.7	K457 M458 L460 L465 S466	K457-G463 WeakPolarHBondContact O-CA 3.48Å; M458-G463 CarbonylContact O-C 3.09Å; L460-G463 WeakPolarHBondContact O-CA 3.42Å; L460-G463 PolarHBondContact O-N 3.48Å; G463-L465 PolarHBondContact O-N 2.87Å; G463-L465 VanDerWaalsContact O-N 3.15Å; G463-S466 WeakPolarHBondContact O-CB 3.46Å; G463-S466 PolarHBondContact O-N 3.44Å
464	T	95.5	Very high	94.2	Very high	89 Å²	89	49.7 Å²	49.7	55%	0.546	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.5	-172.7	55.9	0	0	0	0	114.4	M458 K654	M458-T464 WeakPolarHBondContact CG-OG1 3.21Å; M458-T464 PolarHBondContact O-N 3.04Å; T464-K654 VanDerWaalsContact O-CE 3.26Å; T464-K654 WeakPolarHBondContact O-CE 3.2Å; T464-K654 PolarHBondContact O-NZ 2.95Å
465	L	96	Very high	93.8	Very high	56 Å²	56	53.4 Å²	53.4	29%	0.293	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.6	177.1	-59.4	176.9	0	0	0	113.4	L348 M458 T459 G463 I651 L653 K654	L348-L465 HydrophobicContact CB-CD1 4.12Å; L348-L465 HydrophobicContact CD1-CD1 3.94Å; M458-L465 HydrophobicContact CB-CD1 4.1Å; M458-L465 HydrophobicContact CB-CG 4.17Å; M458-L465 WeakPolarHBondContact O-CB 3.49Å; M458-L465 PolarHBondContact O-N 3.08Å; M458-L465 VanDerWaalsContact O-N 3.12Å; T459-L465 HydrophobicContact CG2-CD1 4.19Å; G463-L465 PolarHBondContact O-N 2.87Å; G463-L465 VanDerWaalsContact O-N 3.15Å; L465-I651 HydrophobicContact CB-CD1 4.04Å; L465-L653 HydrophobicContact CB-CD2 3.64Å; L465-L653 HydrophobicContact CD1-CD2 4.44Å; L465-L653 WeakPolarHBondContact O-CA 3.3Å; L465-K654 WeakPolarHBondContact O-CG 3.42Å; L465-K654 PolarHBondContact O-N 3.49Å
466	S	95	Very high	93.4	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-77.1	137.7	-178.4	-176.1	0	0	0	0	112.5	P461 G463 L468 R652 K654	P461-S466 WeakPolarHBondContact O-CB 3.39Å; P461-S466 PolarHBondContact O-OG 2.84Å; G463-S466 WeakPolarHBondContact O-CB 3.46Å; G463-S466 PolarHBondContact O-N 3.44Å; S466-L468 VanDerWaalsContact C-N 3.29Å; S466-L468 PolarHBondContact OG-N 2.87Å; S466-R652 CarbonylContact C-O 3.49Å; S466-R652 WeakPolarHBondContact CA-O 3.4Å; S466-K654 WeakPolarHBondContact O-CE 3.36Å
467	S	93.1	Very high	93	Very high	42 Å²	42	60.2 Å²	60.2	29%	0.294	30%	0.301	S	S	.	.			trans	-75	-19.6	172.8	67.4	0	0	0	0	112.6	R652	S467-R652 WeakPolarHBondContact CB-O 3.05Å; S467-R652 PolarHBondContact N-O 3.09Å; S467-R652 WeakPolarHBondContact OG-CB 3.37Å; S467-R652 PolarHBondContact OG-O 3.16Å; S467-R652 VanDerWaalsContact OG-O 3.07Å
468	L	89.8	Confident	92.8	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.209	28%	0.28	C	S	.	.			trans	-64.8	141.2	-179.9	-67.8	-178.4	0	0	0	112.1	P461 S466 L470 D478 R652	P461-L468 HydrophobicContact CB-CD1 4.47Å; S466-L468 VanDerWaalsContact C-N 3.29Å; S466-L468 PolarHBondContact OG-N 2.87Å; L468-L470 HydrophobicContact CB-CG 4.4Å; L468-D478 WeakPolarHBondContact CD1-OD2 3.49Å; L468-R652 HydrophobicContact CG-CG 4.44Å
469	R	87.2	Confident	92.5	Very high	209 Å²	209	54.8 Å²	54.8	79%	0.789	28%	0.278	S	S	*	.			trans	-120.5	79.5	176.3	-62.1	-59	-167.6	156	7.1	109.3
470	L	86.9	Confident	92.5	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.267	28%	0.278	S	S	.	.			trans	-83.1	146	178	-56.3	178.3	0	0	0	110.6	W462 L468 Q475	W462-L470 HydrophobicContact CE3-CD1 4.27Å; L468-L470 HydrophobicContact CB-CG 4.4Å; L470-Q475 HydrophobicContact CD2-CB 4.49Å
471	Q	85.9	Confident	92.5	Very high	176 Å²	176	56.4 Å²	56.4	82%	0.822	29%	0.286	S	S	*	.	S	Bend	trans	-86.9	-29.9	172	-61.4	-63.5	-36.7	0	0	111.4
472	C	89.6	Confident	92.5	Very high	50 Å²	50	56.4 Å²	56.4	34%	0.338	29%	0.286	S	S	.	.	S	Bend	trans	-137.1	147.9	172.9	-173.2	0	0	0	0	110.3	S474 Q475	C472-S474 PolarHBondContact O-N 3.33Å; C472-S474 PolarHBondContact SG-OG 3.43Å; C472-Q475 HydrophobicContact CB-CG 4.24Å; C472-Q475 VanDerWaalsContact N-OE1 3.15Å; C472-Q475 WeakPolarHBondContact O-CB 3.41Å; C472-Q475 PolarHBondContact O-N 3.47Å; C472-Q475 VanDerWaalsContact O-N 3.14Å
473	R	93.9	Very high	92.6	Very high	48 Å²	48	56 Å²	56	18%	0.181	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-54.7	-33.3	172.8	-61	-171.3	-74.3	-158.9	1.2	112	Y442 L447 D448 E451 W462 Q475 S476	Y442-R473 HydrophobicContact CE2-CB 4.01Å; Y442-R473 PolarHBondContact OH-NE 3.28Å; L447-R473 HydrophobicContact CD1-CB 4.3Å; D448-R473 IonicContact OD1-CZ 3.17Å; D448-R473 IonicContact OD1-NH1 3.75Å; D448-R473 PolarHBondContact OD1-NH1 2.74Å; D448-R473 IonicContact OD1-NH2 3.29Å; D448-R473 PolarHBondContact OD1-NH2 3.35Å; E451-R473 WeakPolarHBondContact OE1-CD 3.16Å; E451-R473 IonicContact OE1-CZ 2.98Å; E451-R473 IonicContact OE1-NH1 3.77Å; E451-R473 PolarHBondContact OE1-NH1 2.72Å; E451-R473 IonicContact OE2-NH1 2.68Å; W462-R473 HydrophobicContact CD2-CB 4.22Å; W462-R473 HydrophobicContact CD2-CG 3.79Å; W462-R473 VanDerWaalsContact CE2-CD 3.46Å; W462-R473 HydrophobicContact CE3-CB 4.16Å; W462-R473 HydrophobicContact CE3-CG 4.24Å; W462-R473 HydrophobicContact CG-CG 4.17Å; W462-R473 HydrophobicContact CH2-CB 4.05Å; W462-R473 HydrophobicContact CH2-CG 4.38Å; W462-R473 HydrophobicContact CZ2-CB 4.11Å; W462-R473 HydrophobicContact CZ2-CG 3.95Å; W462-R473 HydrophobicContact CZ3-CB 4.08Å; R473-Q475 PolarHBondContact O-N 2.79Å; R473-Q475 VanDerWaalsContact O-N 3.1Å; R473-S476 PolarHBondContact O-N 2.95Å
474	S	92.1	Very high	92.7	Very high	56 Å²	56	55.6 Å²	55.6	39%	0.392	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-72.7	5.1	-179.8	74.6	0	0	0	0	115.8	V432 C472	V432-S474 WeakPolarHBondContact O-CA 3.49Å; V432-S474 WeakPolarHBondContact O-CB 3.08Å; C472-S474 PolarHBondContact O-N 3.33Å; C472-S474 PolarHBondContact SG-OG 3.43Å
475	Q	88.8	Confident	92.9	Very high	107 Å²	107	53.5 Å²	53.5	50%	0.5	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-108.4	13	177.9	-62.2	174.3	-36.1	0	0	112	L470 C472 R473	L470-Q475 HydrophobicContact CD2-CB 4.49Å; C472-Q475 HydrophobicContact CB-CG 4.24Å; C472-Q475 VanDerWaalsContact N-OE1 3.15Å; C472-Q475 WeakPolarHBondContact O-CB 3.41Å; C472-Q475 PolarHBondContact O-N 3.47Å; C472-Q475 VanDerWaalsContact O-N 3.14Å; R473-Q475 PolarHBondContact O-N 2.79Å; R473-Q475 VanDerWaalsContact O-N 3.1Å
476	S	90.8	Very high	92.9	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.063	25%	0.248	C	C	.	.			trans	-89.1	119	-179.5	-163.2	0	0	0	0	111.7	V432 P461 R473 D478 G479	V432-S476 WeakPolarHBondContact CG2-O 3.12Å; P461-S476 WeakPolarHBondContact CB-OG 3.43Å; R473-S476 PolarHBondContact O-N 2.95Å; S476-D478 VanDerWaalsContact C-N 3.25Å; S476-D478 PolarHBondContact OG-N 3.02Å; S476-G479 PolarHBondContact OG-O 2.68Å
477	D	89.8	Confident	93	Very high	137 Å²	137	50.7 Å²	50.7	73%	0.733	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.7	168.3	-53.5	-49.3	0	0	0	112.5
478	D	92.6	Very high	93.2	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.043	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.3	-174.6	-73.9	-2.3	0	0	0	112.9	P461 L468 S476 W649 H650 R652	P461-D478 HydrophobicContact CB-CB 4.14Å; P461-D478 HydrophobicContact CG-CB 4.04Å; L468-D478 WeakPolarHBondContact CD1-OD2 3.49Å; S476-D478 VanDerWaalsContact C-N 3.25Å; S476-D478 PolarHBondContact OG-N 3.02Å; D478-W649 CarbonylContact O-C 3.58Å; D478-W649 WeakPolarHBondContact O-CA 3.42Å; D478-W649 WeakPolarHBondContact O-CB 3.49Å; D478-H650 HydrophobicContact CB-CB 4.05Å; D478-H650 PolarHBondContact O-N 3.15Å; D478-R652 IonicContact OD1-CZ 2.98Å; D478-R652 IonicContact OD1-NE 3.26Å; D478-R652 PolarHBondContact OD1-NE 2.95Å; D478-R652 IonicContact OD1-NH2 2.9Å; D478-R652 PolarHBondContact OD1-NH2 3.33Å; D478-R652 WeakPolarHBondContact OD2-CG 3.15Å; D478-R652 IonicContact OD2-CZ 3.41Å; D478-R652 IonicContact OD2-NE 3.81Å; D478-R652 PolarHBondContact OD2-NE 3.07Å; D478-R652 IonicContact OD2-NH2 3.49Å; D478-R652 PolarHBondContact OD2-NH2 2.94Å
479	G	92.7	Very high	93.4	Very high	4 Å²	4	50 Å²	50	4%	0.041	24%	0.238	C	C	.	.			trans	105.5	-161.7	-177.6	0	0	0	0	0	113.7	V432 S476	V432-G479 WeakPolarHBondContact CG1-O 3.48Å; S476-G479 PolarHBondContact OG-O 2.68Å
480	P	97	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.			cis	-66.5	144.8	2	-25.8	37.3	0	0	0	116.4	L431 L447 L450 L460 W462 A648 W649	L431-P480 HydrophobicContact CD1-CB 4.44Å; L431-P480 PolarHBondContact N-O 3.5Å; L447-P480 HydrophobicContact CD2-CG 4.19Å; L450-P480 HydrophobicContact CD1-CG 4.17Å; L460-P480 HydrophobicContact CD2-CG 3.59Å; W462-P480 HydrophobicContact CH2-CG 4.49Å; P480-A648 WeakPolarHBondContact CA-O 3.36Å; P480-W649 HydrophobicContact CB-CD2 4.48Å; P480-W649 HydrophobicContact CB-CE3 3.71Å; P480-W649 HydrophobicContact CB-CZ3 4.26Å; P480-W649 HydrophobicContact CG-CB 4.47Å; P480-W649 HydrophobicContact CG-CD2 4.06Å; P480-W649 HydrophobicContact CG-CE3 3.63Å; P480-W649 HydrophobicContact CG-CG 4.45Å; P480-W649 HydrophobicContact CG-CZ3 4.13Å
481	I	96.8	Very high	94	Very high	35 Å²	35	42 Å²	42	18%	0.179	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.7	168.9	53.4	157.9	0	0	0	111	Q428 I429 W483 L647 A648	Q428-I481 HydrophobicContact CB-CB 4.38Å; Q428-I481 HydrophobicContact CB-CD1 4.14Å; Q428-I481 HydrophobicContact CG-CD1 4.43Å; I429-I481 CarbonylContact O-C 3.4Å; I429-I481 VanDerWaalsContact O-CA 3.25Å; I429-I481 WeakPolarHBondContact O-CA 3.41Å; I481-W483 HydrophobicContact CD1-CE3 4.14Å; I481-W483 HydrophobicContact CD1-CZ3 3.84Å; I481-W483 HydrophobicContact CG1-CE3 4.35Å; I481-W483 HydrophobicContact CG1-CZ3 3.98Å; I481-L647 VanDerWaalsContact O-CA 3.28Å; I481-L647 WeakPolarHBondContact O-CA 3.29Å; I481-A648 WeakPolarHBondContact CG1-O 3.33Å; I481-A648 PolarHBondContact N-O 2.65Å; I481-A648 PolarHBondContact O-N 2.85Å
482	M	97.8	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.7	179.5	-171.3	-175.6	78.8	0	0	112.4	F377 F381 I405 M426 Q428 I429 L431 S646 L647	F377-M482 HydrophobicContact CB-SD 3.71Å; F377-M482 HydrophobicContact CG-SD 4.43Å; F381-M482 HydrophobicContact CD2-CE 3.65Å; F381-M482 HydrophobicContact CD2-SD 3.49Å; F381-M482 WeakPolarHBondContact CD2-SD 3.39Å; F381-M482 HydrophobicContact CE2-CE 4.13Å; F381-M482 HydrophobicContact CE2-SD 3.5Å; F381-M482 VanDerWaalsContact CE2-SD 3.5Å; F381-M482 HydrophobicContact CG-CE 4.22Å; I405-M482 HydrophobicContact CD1-CE 4.03Å; M426-M482 HydrophobicContact CE-CE 3.91Å; Q428-M482 CarbonylContact C-O 3.56Å; Q428-M482 VanDerWaalsContact CA-O 3.29Å; Q428-M482 WeakPolarHBondContact CA-O 3.13Å; I429-M482 HydrophobicContact CD1-CE 3.84Å; I429-M482 HydrophobicContact CG1-CB 4.11Å; I429-M482 HydrophobicContact CG1-CE 4.23Å; I429-M482 PolarHBondContact N-O 3.43Å; I429-M482 PolarHBondContact O-N 2.91Å; L431-M482 HydrophobicContact CD1-CB 4.28Å; L431-M482 HydrophobicContact CD2-CB 4.09Å; L431-M482 HydrophobicContact CG-CB 4.29Å; M482-S646 WeakPolarHBondContact CA-O 3.36Å; M482-L647 HydrophobicContact CB-CD2 3.54Å; M482-L647 HydrophobicContact CG-CD2 3.68Å; M482-L647 HydrophobicContact SD-CD2 4.39Å
483	W	98	Very high	94.1	Very high	48 Å²	48	36 Å²	36	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	164.1	172	67.1	100.2	0	0	0	112.8	Q428 I481 C645 S646 A648	Q428-W483 HydrophobicContact CB-CB 4.32Å; I481-W483 HydrophobicContact CD1-CE3 4.14Å; I481-W483 HydrophobicContact CD1-CZ3 3.84Å; I481-W483 HydrophobicContact CG1-CE3 4.35Å; I481-W483 HydrophobicContact CG1-CZ3 3.98Å; W483-C645 WeakPolarHBondContact O-CA 3.49Å; W483-S646 PolarHBondContact N-O 3.16Å; W483-S646 PolarHBondContact O-N 2.73Å; W483-A648 HydrophobicContact CH2-CB 3.56Å; W483-A648 HydrophobicContact CZ3-CB 3.75Å
484	V	98.3	Very high	93.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.9	-178.1	-169.5	0	0	0	0	111	L378 F408 Y421 P425 M426 V556 V644 C645	L378-V484 HydrophobicContact CD2-CG1 4.45Å; F408-V484 HydrophobicContact CE1-CB 4Å; F408-V484 HydrophobicContact CE1-CG1 4.21Å; F408-V484 HydrophobicContact CE1-CG2 4.19Å; F408-V484 HydrophobicContact CZ-CB 4.22Å; F408-V484 HydrophobicContact CZ-CG1 4.35Å; Y421-V484 HydrophobicContact CE1-CG1 4.2Å; P425-V484 WeakPolarHBondContact CA-O 3.37Å; M426-V484 HydrophobicContact CB-CB 3.92Å; M426-V484 HydrophobicContact CB-CG2 4.31Å; M426-V484 HydrophobicContact CE-CG2 4.01Å; M426-V484 PolarHBondContact N-O 2.95Å; M426-V484 HydrophobicContact SD-CG2 4.23Å; V484-V556 HydrophobicContact CG1-CG2 3.9Å; V484-V644 WeakPolarHBondContact CA-O 3.47Å; V484-C645 HydrophobicContact CG2-CB 4.37Å
485	R	97.9	Very high	93.1	Very high	45 Å²	45	38.5 Å²	38.5	17%	0.17	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.1	-177.2	-60.1	-59.8	-65.1	-168.2	-6.9	111.4	Y421 D529 T640 A643 V644	Y421-R485 WeakPolarHBondContact CE1-O 3.46Å; R485-D529 IonicContact CZ-OD1 3.54Å; R485-D529 IonicContact NE-OD1 3.43Å; R485-D529 PolarHBondContact NE-OD1 3.44Å; R485-D529 IonicContact NE-OD2 2.78Å; R485-D529 IonicContact NH2-OD1 2.72Å; R485-D529 PolarHBondContact NH2-OD1 2.87Å; R485-T640 HydrophobicContact CB-CG2 3.79Å; R485-A643 WeakPolarHBondContact O-CA 3.17Å; R485-V644 HydrophobicContact CB-CG1 4.37Å; R485-V644 PolarHBondContact N-O 3.4Å; R485-V644 PolarHBondContact O-N 3.43Å; R485-V644 VanDerWaalsContact O-N 3.08Å
486	P	97	Very high	92.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.			trans	-80.3	-19.8	-178.4	30.6	-37.6	0	0	0	116	T420 Y421 F527 D529	T420-P486 WeakPolarHBondContact CA-O 3.49Å; T420-P486 WeakPolarHBondContact CB-O 3.3Å; Y421-P486 HydrophobicContact CD1-CB 4.08Å; Y421-P486 HydrophobicContact CD2-CB 3.98Å; Y421-P486 HydrophobicContact CE1-CB 3.88Å; Y421-P486 HydrophobicContact CE2-CB 3.71Å; Y421-P486 HydrophobicContact CG-CB 4.12Å; Y421-P486 WeakPolarHBondContact O-CB 3.43Å; P486-F527 HydrophobicContact CG-CD1 4.26Å; P486-F527 HydrophobicContact CG-CE1 3.5Å; P486-F527 HydrophobicContact CG-CZ 4.01Å; P486-D529 WeakPolarHBondContact CD-OD2 3.43Å
487	G	97.1	Very high	91.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.			trans	87.9	143.6	-171.6	0	0	0	0	0	113.2	Q489 D529	G487-Q489 PolarHBondContact O-N 2.79Å; G487-Q489 PolarHBondContact O-NE2 2.82Å; G487-Q489 VanDerWaalsContact O-NE2 3.15Å; G487-D529 WeakPolarHBondContact CA-OD2 2.92Å; G487-D529 PolarHBondContact N-OD2 3.2Å
488	E	96.6	Very high	90.9	Very high	42 Å²	42	39.9 Å²	39.9	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	-63.7	127.5	179.6	178.7	174.5	109.4	0	0	111.4	L526 F527 D529 R530 K639 T640	E488-L526 HydrophobicContact CG-CD1 3.96Å; E488-F527 WeakPolarHBondContact CA-O 3.25Å; E488-F527 WeakPolarHBondContact CG-O 3.36Å; E488-D529 HydrophobicContact CB-CB 4.18Å; E488-R530 IonicContact OE1-NH2 3.55Å; E488-R530 IonicContact OE2-CZ 3.74Å; E488-R530 IonicContact OE2-NE 3.39Å; E488-R530 PolarHBondContact OE2-NE 3.37Å; E488-R530 IonicContact OE2-NH2 3.48Å; E488-R530 PolarHBondContact OE2-NH2 3.1Å; E488-K639 WeakPolarHBondContact OE1-CE 3.47Å; E488-K639 IonicContact OE1-NZ 3.42Å; E488-K639 PolarHBondContact OE1-NZ 3.46Å; E488-K639 WeakPolarHBondContact OE2-CE 3.46Å; E488-K639 IonicContact OE2-NZ 2.99Å; E488-T640 PolarHBondContact N-O 3.11Å
489	Q	95.7	Very high	88.9	Confident	24 Å²	24	43 Å²	43	11%	0.112	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164	-171.6	64	-173.7	-79.7	0	0	112.7	Y421 G487 I491 F527	Y421-Q489 PolarHBondContact O-NE2 3.01Å; G487-Q489 PolarHBondContact O-N 2.79Å; G487-Q489 PolarHBondContact O-NE2 2.82Å; G487-Q489 VanDerWaalsContact O-NE2 3.15Å; Q489-I491 VanDerWaalsContact CD-CD1 3.5Å; Q489-I491 HydrophobicContact CG-CD1 3.59Å; Q489-I491 HydrophobicContact CG-CG1 4.16Å; Q489-I491 VanDerWaalsContact OE1-CD1 3.26Å; Q489-F527 HydrophobicContact CG-CB 4.43Å; Q489-F527 PolarHBondContact N-O 3.16Å; Q489-F527 PolarHBondContact O-N 2.92Å
490	M	94.3	Very high	87	Confident	90 Å²	90	47.6 Å²	47.6	44%	0.443	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.4	169.3	-65.6	-59.1	-60.4	0	0	110.1	E524 L526	M490-E524 HydrophobicContact CB-CB 4.31Å; M490-E524 HydrophobicContact CE-CB 3.65Å; M490-L526 HydrophobicContact SD-CB 3.83Å; M490-L526 HydrophobicContact SD-CD1 3.87Å; M490-L526 HydrophobicContact SD-CG 4.46Å
491	I	92.3	Very high	84.9	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.5	178.4	-60.8	-61.6	0	0	0	110	L395 R422 Q489 T493 D495 M496 E524 V525 F527	L395-I491 HydrophobicContact CD1-CD1 4.27Å; L395-I491 HydrophobicContact CD1-CG1 4.32Å; L395-I491 HydrophobicContact CD2-CD1 4.15Å; L395-I491 HydrophobicContact CD2-CG1 4.44Å; L395-I491 HydrophobicContact CD2-CG2 3.97Å; R422-I491 HydrophobicContact CG-CD1 4.05Å; Q489-I491 VanDerWaalsContact CD-CD1 3.5Å; Q489-I491 HydrophobicContact CG-CD1 3.59Å; Q489-I491 HydrophobicContact CG-CG1 4.16Å; Q489-I491 VanDerWaalsContact OE1-CD1 3.26Å; I491-T493 PolarHBondContact O-N 3.21Å; I491-D495 HydrophobicContact CG2-CB 4.23Å; I491-M496 HydrophobicContact CG2-CG 4.01Å; I491-M496 HydrophobicContact CG2-SD 3.9Å; I491-E524 CarbonylContact O-C 3.17Å; I491-E524 VanDerWaalsContact O-CA 3.24Å; I491-E524 WeakPolarHBondContact O-CA 3.17Å; I491-V525 PolarHBondContact N-O 2.77Å; I491-V525 PolarHBondContact O-N 3.07Å; I491-F527 HydrophobicContact CG1-CB 3.71Å
492	P	90.4	Very high	82.5	Confident	29 Å²	29	63.9 Å²	63.9	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	136.9	172.6	-25	35.5	0	0	0	112.3	A494 D495 M496 R523	P492-A494 PolarHBondContact O-N 2.76Å; P492-D495 PolarHBondContact O-N 3.44Å; P492-M496 PolarHBondContact O-N 3.15Å; P492-R523 WeakPolarHBondContact CA-O 3.43Å
493	T	86	Confident	80.2	Confident	71 Å²	71	75.1 Å²	75.1	44%	0.436	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10	178.9	-45.4	0	0	0	0	113.1	I491 P522 R523	I491-T493 PolarHBondContact O-N 3.21Å; T493-P522 PolarHBondContact OG1-O 3.17Å; T493-P522 VanDerWaalsContact OG1-O 3.13Å; T493-R523 PolarHBondContact N-O 2.8Å; T493-R523 PolarHBondContact OG1-O 2.95Å; T493-R523 VanDerWaalsContact OG1-O 3.13Å
494	A	83.7	Confident	77.8	Confident	86 Å²	86	84.4 Å²	84.4	71%	0.711	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-32.7	171	0	0	0	0	0	113.4	P492	P492-A494 PolarHBondContact O-N 2.76Å
495	D	82.4	Confident	75.6	Confident	72 Å²	72	95.3 Å²	95.3	39%	0.385	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-21.4	-178.6	-59	-9.3	0	0	0	110.6	R422 I491 P492	R422-D495 WeakPolarHBondContact CD-OD2 3.48Å; R422-D495 IonicContact CZ-OD2 3.28Å; R422-D495 IonicContact NE-OD2 3.01Å; R422-D495 IonicContact NH1-OD2 3.54Å; R422-D495 PolarHBondContact NH1-OD2 3.32Å; I491-D495 HydrophobicContact CG2-CB 4.23Å; P492-D495 PolarHBondContact O-N 3.44Å
496	M	80.8	Confident	73.5	Confident	43 Å²	43	98 Å²	98	21%	0.212	48%	0.478	C	S	.	.	S	Bend	trans	-60.4	121.2	173.4	-72.2	-67.8	-63.7	0	0	111.9	I491 P492 K498	I491-M496 HydrophobicContact CG2-CG 4.01Å; I491-M496 HydrophobicContact CG2-SD 3.9Å; P492-M496 PolarHBondContact O-N 3.15Å; M496-K498 PolarHBondContact O-N 2.94Å; M496-K498 VanDerWaalsContact O-N 3.16Å
497	P	72.9	Confident	71.3	Confident	47 Å²	47	106 Å²	106	31%	0.305	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-67.3	117.1	-175.8	22.7	-29.5	0	0	0	111	I394 L395 K397 S499	I394-P497 HydrophobicContact CG2-CB 4.18Å; I394-P497 HydrophobicContact CG2-CG 3.43Å; I394-P497 VanDerWaalsContact CG2-CG 3.43Å; L395-P497 WeakPolarHBondContact O-CD 3.3Å; L395-P497 WeakPolarHBondContact O-CG 3.32Å; K397-P497 WeakPolarHBondContact CE-O 3.47Å; K397-P497 PolarHBondContact NZ-O 3.24Å; P497-S499 PolarHBondContact O-N 2.99Å
498	K	68.4	Low	69.3	Low	192 Å²	192	110.1 Å²	110.1	84%	0.835	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-54	135.5	178.7	-67.7	166	-173.3	160	0	109.9	M496	M496-K498 PolarHBondContact O-N 2.94Å; M496-K498 VanDerWaalsContact O-N 3.16Å
499	S	51.6	Low	67.6	Low	72 Å²	72	115.4 Å²	115.4	50%	0.503	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-59.7	128.3	179.3	-179.3	0	0	0	0	110.3	P497 F501	P497-S499 PolarHBondContact O-N 2.99Å; S499-F501 PolarHBondContact O-N 2.88Å; S499-F501 PolarHBondContact OG-N 3.31Å
500	P	52.1	Low	65.9	Low	101 Å²	101	120.8 Å²	120.8	66%	0.656	59%	0.592	S	S	*	*	S	Bend	trans	-64.4	-28.3	178.2	25.5	-33.2	0	0	0	111.4	K502	P500-K502 PolarHBondContact O-N 3.06Å
501	F	52.6	Low	63.9	Low	184 Å²	184	123.5 Å²	123.5	81%	0.807	60%	0.601	S	S	*	*			trans	-72.9	71.5	169	-69.6	-78.5	0	0	0	111.5	S499 R503	S499-F501 PolarHBondContact O-N 2.88Å; S499-F501 PolarHBondContact OG-N 3.31Å; F501-R503 PolarHBondContact O-N 2.81Å
502	K	47.5	Very low	62.1	Low	194 Å²	194	129.8 Å²	129.8	84%	0.843	63%	0.634	S	S	*	*			trans	-61.4	85.4	157.1	-86.8	-177.1	177.7	171.6	0	108.8	P500 R504	P500-K502 PolarHBondContact O-N 3.06Å; K502-R504 PolarHBondContact O-N 2.82Å
503	R	49.4	Very low	60.5	Low	235 Å²	235	134.1 Å²	134.1	89%	0.887	66%	0.655	S	S	*	*			trans	-55.4	106.7	157.3	-158.3	-176.4	-66.6	174	-1.1	105.6	F501 R505	F501-R503 PolarHBondContact O-N 2.81Å; R503-R505 PolarHBondContact O-N 3.1Å
504	R	46.3	Very low	59.1	Low	243 Å²	243	138.3 Å²	138.3	92%	0.917	67%	0.67	S	S	*	*			trans	-51.8	103.4	-169.8	-171.2	-179.4	-175.1	-169.4	3.2	108.3	K502 S506	K502-R504 PolarHBondContact O-N 2.82Å; R504-S506 PolarHBondContact O-N 3.16Å
505	R	53.7	Low	57.6	Low	230 Å²	230	145.1 Å²	145.1	87%	0.868	68%	0.679	S	S	*	*			trans	-59.5	113.4	-178.3	-70.3	-174	-174.3	-179.9	0.2	106.9	R503 M507	R503-R505 PolarHBondContact O-N 3.1Å; R505-M507 PolarHBondContact O-N 3.39Å
506	S	52.8	Low	56.3	Low	102 Å²	102	148.7 Å²	148.7	71%	0.713	70%	0.697	S	S	*	*			trans	-54.5	135.1	170.3	178.5	0	0	0	0	108.3	R504 N508	R504-S506 PolarHBondContact O-N 3.16Å; S506-N508 PolarHBondContact O-N 3.42Å
507	M	49.8	Very low	54.8	Low	168 Å²	168	150.3 Å²	150.3	83%	0.828	71%	0.711	S	S	*	*	S	Bend	trans	-56.7	100.7	-175.2	-177.8	-148.2	-63.4	0	0	110.2	R505	R505-M507 PolarHBondContact O-N 3.39Å
508	N	56.9	Low	53.9	Low	85 Å²	85	157.9 Å²	157.9	46%	0.455	73%	0.733	S	S	.	*			trans	-149.2	40.8	174.6	-100.5	-42.7	0	0	0	110.8	S506 I510 K511	S506-N508 PolarHBondContact O-N 3.42Å; N508-I510 PolarHBondContact O-N 3.1Å; N508-I510 VanDerWaalsContact O-N 3.16Å; N508-K511 PolarHBondContact O-N 3.31Å; N508-K511 VanDerWaalsContact O-N 3.12Å
509	E	60.8	Low	53.3	Low	154 Å²	154	154.8 Å²	154.8	72%	0.72	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-29	173.8	-58.4	-175	156.9	0	0	111.6	K511 N512 L513	E509-K511 VanDerWaalsContact C-N 3.34Å; E509-K511 PolarHBondContact O-N 3.1Å; E509-N512 PolarHBondContact O-N 3.14Å; E509-N512 VanDerWaalsContact O-N 3.16Å; E509-L513 PolarHBondContact O-N 2.85Å
510	I	58.4	Low	53.8	Low	137 Å²	137	155.1 Å²	155.1	70%	0.703	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-30.8	179	-62	168.7	0	0	0	112.7	N508 L513	N508-I510 PolarHBondContact O-N 3.1Å; N508-I510 VanDerWaalsContact O-N 3.16Å; I510-L513 PolarHBondContact O-N 2.77Å
511	K	53.3	Low	54.4	Low	146 Å²	146	157.3 Å²	157.3	64%	0.635	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-76.9	-23.8	175.2	-68.9	-169.2	178.1	-174.3	0	112.8	N508 E509 L513	N508-K511 PolarHBondContact O-N 3.31Å; N508-K511 VanDerWaalsContact O-N 3.12Å; E509-K511 VanDerWaalsContact C-N 3.34Å; E509-K511 PolarHBondContact O-N 3.1Å; K511-L513 VanDerWaalsContact C-N 3.27Å
512	N	54.1	Low	55.2	Low	134 Å²	134	153.4 Å²	153.4	72%	0.717	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-84.2	-0.3	172.3	-64.9	-8.4	0	0	0	113	E509	E509-N512 PolarHBondContact O-N 3.14Å; E509-N512 VanDerWaalsContact O-N 3.16Å
513	L	56.6	Low	57	Low	120 Å²	120	152.6 Å²	152.6	63%	0.628	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-91.2	-6.8	169.4	-71.2	173.1	0	0	0	113	E509 I510 K511 Y515	E509-L513 PolarHBondContact O-N 2.85Å; I510-L513 PolarHBondContact O-N 2.77Å; K511-L513 VanDerWaalsContact C-N 3.27Å; L513-Y515 WeakPolarHBondContact O-CD2 3.27Å; L513-Y515 PolarHBondContact O-N 2.7Å; L513-Y515 VanDerWaalsContact O-N 3.16Å
514	Q	56.2	Low	58.9	Low	159 Å²	159	146.4 Å²	146.4	74%	0.743	70%	0.7	S	S	*	*	S	Bend	trans	-67.8	113.2	161.8	-79.1	-174.3	-35.2	0	0	108	L516	Q514-L516 VanDerWaalsContact C-N 3.27Å; Q514-L516 PolarHBondContact O-N 2.77Å
515	Y	53.5	Low	61	Low	230 Å²	230	138 Å²	138	90%	0.902	68%	0.676	S	S	*	*			trans	-58.9	75.7	-171.6	-74.4	-107.8	0	0	0	113.6	L513	L513-Y515 WeakPolarHBondContact O-CD2 3.27Å; L513-Y515 PolarHBondContact O-N 2.7Å; L513-Y515 VanDerWaalsContact O-N 3.16Å
516	L	54.1	Low	62.9	Low	147 Å²	147	130.7 Å²	130.7	77%	0.77	65%	0.654	S	S	*	*			trans	-74.5	125.8	146.2	-77.1	170	0	0	0	107.3	Q514 R518	Q514-L516 VanDerWaalsContact C-N 3.27Å; Q514-L516 PolarHBondContact O-N 2.77Å; L516-R518 PolarHBondContact O-N 2.77Å
517	P	49.1	Very low	64.9	Low	76 Å²	76	127.2 Å²	127.2	49%	0.494	63%	0.626	S	S	.	*			trans	-57.3	130.1	179.6	-27.5	36.4	0	0	0	111.6	T519 S520	P517-T519 WeakPolarHBondContact CB-OG1 3.44Å; P517-T519 PolarHBondContact O-N 2.78Å; P517-S520 PolarHBondContact O-N 3.27Å; P517-S520 PolarHBondContact O-OG 3.47Å; P517-S520 VanDerWaalsContact O-OG 3.11Å
518	R	54.7	Low	67	Low	207 Å²	207	124.3 Å²	124.3	78%	0.781	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	14.8	168.4	-65.7	-176.1	-177.1	158	-0.2	114	L516 R523	L516-R518 PolarHBondContact O-N 2.77Å; R518-R523 PolarHBondContact O-NH2 2.84Å
519	T	56.7	Low	68.8	Low	126 Å²	126	120.2 Å²	120.2	77%	0.773	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-7.9	172.5	58.6	0	0	0	0	112.2	P517	P517-T519 WeakPolarHBondContact CB-OG1 3.44Å; P517-T519 PolarHBondContact O-N 2.78Å
520	S	61.5	Low	70.5	Confident	79 Å²	79	115.9 Å²	115.9	55%	0.552	57%	0.565	S	S	*	*	S	Bend	trans	-101	-12.2	180	66.6	0	0	0	0	115.4	P517	P517-S520 PolarHBondContact O-N 3.27Å; P517-S520 PolarHBondContact O-OG 3.47Å; P517-S520 VanDerWaalsContact O-OG 3.11Å
521	E	64	Low	72.3	Confident	148 Å²	148	111.8 Å²	111.8	69%	0.692	55%	0.547	S	S	*	.	S	Bend	trans	-79	128.6	172.5	-71.1	-175.9	158	0	0	110	R523	E521-R523 PolarHBondContact O-N 2.82Å
522	P	70	Confident	74.3	Confident	102 Å²	102	110.2 Å²	110.2	66%	0.662	54%	0.537	S	S	*	.			trans	-57.5	122	173.8	-25.4	35.1	0	0	0	111.5	T493 E524	T493-P522 PolarHBondContact OG1-O 3.17Å; T493-P522 VanDerWaalsContact OG1-O 3.13Å; P522-E524 VanDerWaalsContact C-N 3.32Å
523	R	84.4	Confident	76.4	Confident	176 Å²	176	103.8 Å²	103.8	66%	0.664	50%	0.503	S	S	*	.	S	Bend	trans	-86.2	-10.8	179.6	-67.3	178.7	175.7	-105.4	-9.8	113	P492 T493 R518 E521	P492-R523 WeakPolarHBondContact CA-O 3.43Å; T493-R523 PolarHBondContact N-O 2.8Å; T493-R523 PolarHBondContact OG1-O 2.95Å; T493-R523 VanDerWaalsContact OG1-O 3.13Å; R518-R523 PolarHBondContact O-NH2 2.84Å; E521-R523 PolarHBondContact O-N 2.82Å
524	E	90.4	Very high	78.3	Confident	106 Å²	106	98.7 Å²	98.7	50%	0.495	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.2	-177.6	-63.8	167.5	175.5	0	0	108	M490 I491 P522	M490-E524 HydrophobicContact CB-CB 4.31Å; M490-E524 HydrophobicContact CE-CB 3.65Å; I491-E524 CarbonylContact O-C 3.17Å; I491-E524 VanDerWaalsContact O-CA 3.24Å; I491-E524 WeakPolarHBondContact O-CA 3.17Å; P522-E524 VanDerWaalsContact C-N 3.32Å
525	V	90.2	Very high	80.2	Confident	67 Å²	67	91.1 Å²	91.1	41%	0.406	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135	178.1	-179.1	0	0	0	0	107.7	I491 F527	I491-V525 PolarHBondContact N-O 2.77Å; I491-V525 PolarHBondContact O-N 3.07Å; V525-F527 PolarHBondContact O-N 2.85Å
526	L	93.1	Very high	82.1	Confident	76 Å²	76	81 Å²	81	40%	0.398	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.6	173.4	-179.4	63.4	0	0	0	109.4	E488 M490 E528	E488-L526 HydrophobicContact CG-CD1 3.96Å; M490-L526 HydrophobicContact SD-CB 3.83Å; M490-L526 HydrophobicContact SD-CD1 3.87Å; M490-L526 HydrophobicContact SD-CG 4.46Å; L526-E528 HydrophobicContact CD2-CG 3.76Å; L526-E528 HydrophobicContact CG-CG 3.84Å
527	F	94.2	Very high	83.7	Confident	29 Å²	29	75.5 Å²	75.5	13%	0.127	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.1	165.6	179.2	-90.8	0	0	0	108.1	L395 P425 P486 E488 Q489 I491 V525 D529	L395-F527 HydrophobicContact CD1-CD2 3.9Å; L395-F527 HydrophobicContact CD1-CE2 4.07Å; L395-F527 HydrophobicContact CD1-CG 4.42Å; P425-F527 HydrophobicContact CG-CZ 4.39Å; P486-F527 HydrophobicContact CG-CD1 4.26Å; P486-F527 HydrophobicContact CG-CE1 3.5Å; P486-F527 HydrophobicContact CG-CZ 4.01Å; E488-F527 WeakPolarHBondContact CA-O 3.25Å; E488-F527 WeakPolarHBondContact CG-O 3.36Å; Q489-F527 HydrophobicContact CG-CB 4.43Å; Q489-F527 PolarHBondContact N-O 3.16Å; Q489-F527 PolarHBondContact O-N 2.92Å; I491-F527 HydrophobicContact CG1-CB 3.71Å; V525-F527 PolarHBondContact O-N 2.85Å; F527-D529 HydrophobicContact CD1-CB 4.3Å; F527-D529 HydrophobicContact CE1-CB 3.91Å
528	E	94.3	Very high	85.4	Confident	106 Å²	106	72.9 Å²	72.9	50%	0.495	35%	0.354	S	S	.	.			trans	-82.2	117.3	178.9	-58.2	-168.1	132.7	0	0	110.4	L526 R530	L526-E528 HydrophobicContact CD2-CG 3.76Å; L526-E528 HydrophobicContact CG-CG 3.84Å; E528-R530 VanDerWaalsContact CD-CZ 3.44Å; E528-R530 IonicContact OE1-CZ 3.75Å; E528-R530 IonicContact OE1-NH1 2.73Å; E528-R530 PolarHBondContact OE1-NH1 2.9Å; E528-R530 IonicContact OE1-NH2 2.9Å; E528-R530 PolarHBondContact OE1-NH2 3.02Å; E528-R530 IonicContact OE2-NH1 3.99Å
529	D	96	Very high	86.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.336	C	S	.	.			trans	-107.7	87.8	-179.4	-164.4	-27.6	0	0	0	110.2	R485 P486 G487 E488 F527 T640	R485-D529 IonicContact CZ-OD1 3.54Å; R485-D529 IonicContact NE-OD1 3.43Å; R485-D529 PolarHBondContact NE-OD1 3.44Å; R485-D529 IonicContact NE-OD2 2.78Å; R485-D529 IonicContact NH2-OD1 2.72Å; R485-D529 PolarHBondContact NH2-OD1 2.87Å; P486-D529 WeakPolarHBondContact CD-OD2 3.43Å; G487-D529 WeakPolarHBondContact CA-OD2 2.92Å; G487-D529 PolarHBondContact N-OD2 3.2Å; E488-D529 HydrophobicContact CB-CB 4.18Å; F527-D529 HydrophobicContact CD1-CB 4.3Å; F527-D529 HydrophobicContact CE1-CB 3.91Å; D529-T640 PolarHBondContact O-N 2.79Å; D529-T640 WeakPolarHBondContact OD1-CB 3.48Å; D529-T640 PolarHBondContact OD1-OG1 3.13Å
530	R	95.4	Very high	86.9	Confident	62 Å²	62	66.9 Å²	66.9	23%	0.234	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	136.2	-163.1	-66.5	-178.8	-165.1	155.2	16.5	112.7	E488 E528 W601 F638 K639	E488-R530 IonicContact OE1-NH2 3.55Å; E488-R530 IonicContact OE2-CZ 3.74Å; E488-R530 IonicContact OE2-NE 3.39Å; E488-R530 PolarHBondContact OE2-NE 3.37Å; E488-R530 IonicContact OE2-NH2 3.48Å; E488-R530 PolarHBondContact OE2-NH2 3.1Å; E528-R530 VanDerWaalsContact CD-CZ 3.44Å; E528-R530 IonicContact OE1-CZ 3.75Å; E528-R530 IonicContact OE1-NH1 2.73Å; E528-R530 PolarHBondContact OE1-NH1 2.9Å; E528-R530 IonicContact OE1-NH2 2.9Å; E528-R530 PolarHBondContact OE1-NH2 3.02Å; E528-R530 IonicContact OE2-NH1 3.99Å; R530-W601 HydrophobicContact CB-CE3 3.99Å; R530-W601 HydrophobicContact CB-CH2 3.94Å; R530-W601 HydrophobicContact CB-CZ3 3.5Å; R530-W601 VanDerWaalsContact CB-CZ3 3.5Å; R530-W601 HydrophobicContact CG-CE3 4.22Å; R530-W601 HydrophobicContact CG-CH2 3.69Å; R530-W601 HydrophobicContact CG-CZ2 4.13Å; R530-W601 HydrophobicContact CG-CZ3 3.74Å; R530-F638 WeakPolarHBondContact CA-O 3.43Å; R530-K639 HydrophobicContact CG-CG 4.43Å
531	T	95.6	Very high	87.2	Confident	51 Å²	51	65.5 Å²	65.5	31%	0.313	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122	162.1	-49.7	0	0	0	0	107.3	H534 Q637 F638	T531-H534 VanDerWaalsContact CG2-CE1 3.44Å; T531-H534 WeakPolarHBondContact CG2-CE1 3.16Å; T531-Q637 WeakPolarHBondContact O-CG 3.12Å; T531-F638 PolarHBondContact N-O 2.94Å; T531-F638 PolarHBondContact O-N 3.08Å
532	R	96.6	Very high	87	Confident	113 Å²	113	68.4 Å²	68.4	43%	0.426	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	172.5	-177.1	-68.3	-177.2	-175.2	103.6	5.3	111.9	H534 C598 V599 Q600 W601	R532-H534 PolarHBondContact O-N 3.09Å; R532-H534 PolarHBondContact O-ND1 2.77Å; R532-C598 HydrophobicContact CB-CB 4.22Å; R532-C598 WeakPolarHBondContact CD-O 3.36Å; R532-V599 PolarHBondContact NE-O 3.39Å; R532-Q600 WeakPolarHBondContact CD-O 3.44Å; R532-W601 HydrophobicContact CG-CE3 4.42Å
533	A	97.6	Very high	86.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	128.5	174.8	0	0	0	0	0	111.5	L586 C598 V602 I635 H636 Q637	A533-L586 HydrophobicContact CB-CD1 3.77Å; A533-C598 HydrophobicContact CB-CB 4.25Å; A533-C598 WeakPolarHBondContact O-CB 3.36Å; A533-V602 HydrophobicContact CB-CG2 4.22Å; A533-I635 HydrophobicContact CB-CG2 4.11Å; A533-H636 CarbonylContact C-O 3.59Å; A533-H636 VanDerWaalsContact CA-O 3.28Å; A533-H636 WeakPolarHBondContact CA-O 3.48Å; A533-Q637 HydrophobicContact CB-CB 4.4Å
534	H	97.1	Very high	86.5	Confident	13 Å²	13	64.7 Å²	64.7	6%	0.06	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	167.1	175.5	56.5	-72.8	0	0	0	109.9	T531 R532 D536 P594 Q597 I635 H636	T531-H534 VanDerWaalsContact CG2-CE1 3.44Å; T531-H534 WeakPolarHBondContact CG2-CE1 3.16Å; R532-H534 PolarHBondContact O-N 3.09Å; R532-H534 PolarHBondContact O-ND1 2.77Å; H534-D536 IonicContact CD2-OD1 2.72Å; H534-D536 PolarHBondContact CD2-OD1 2.64Å; H534-D536 IonicContact NE2-OD1 3.54Å; H534-P594 HydrophobicContact CB-CB 4.08Å; H534-Q597 HydrophobicContact CB-CB 4.39Å; H534-Q597 HydrophobicContact CB-CG 4.48Å; H534-Q597 VanDerWaalsContact CB-OE1 3.29Å; H534-I635 CarbonylContact O-C 3.5Å; H534-I635 VanDerWaalsContact O-CA 3.26Å; H534-I635 WeakPolarHBondContact O-CA 3.14Å; H534-H636 AromaticContact CD2-NE2 3.75Å; H534-H636 AromaticContact CE1-CD2 3.82Å; H534-H636 AromaticContact CE1-NE2 3.63Å; H534-H636 PolarHBondContact N-O 2.81Å; H534-H636 PolarHBondContact ND1-O 2.98Å; H534-H636 AromaticContact NE2-CD2 3.88Å; H534-H636 AromaticContact NE2-CE1 3.94Å; H534-H636 AromaticContact NE2-NE2 3.22Å; H534-H636 PolarHBondContact NE2-NE2 3.24Å; H534-H636 PolarHBondContact O-N 2.88Å
535	A	94.9	Very high	86.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.325	C	S	.	.			trans	-125.2	142.5	161.8	0	0	0	0	0	109.7	H537 F579 Q597 I635	A535-H537 PolarHBondContact O-CE1 3.45Å; A535-H537 PolarHBondContact O-ND1 2.87Å; A535-F579 HydrophobicContact CB-CE2 3.79Å; A535-Q597 PolarHBondContact O-NE2 3.13Å; A535-Q597 PolarHBondContact O-OE1 3.39Å; A535-I635 HydrophobicContact CB-CG1 3.81Å
536	D	93.3	Very high	86.2	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.091	31%	0.311	C	S	.	.			trans	-79.7	138.1	-178.6	-63.6	-33.9	0	0	0	110.6	H534 S546 T547 A549 H636 H650	H534-D536 IonicContact CD2-OD1 2.72Å; H534-D536 PolarHBondContact CD2-OD1 2.64Å; H534-D536 IonicContact NE2-OD1 3.54Å; D536-S546 CarbonylContact O-C 3.45Å; D536-S546 WeakPolarHBondContact O-CA 3.3Å; D536-S546 PolarHBondContact O-OG 2.96Å; D536-T547 HydrophobicContact CB-CG2 3.76Å; D536-T547 PolarHBondContact O-N 3.15Å; D536-A549 VanDerWaalsContact OD2-CB 3.26Å; D536-A549 WeakPolarHBondContact OD2-CB 3.29Å; D536-H636 IonicContact OD2-CE1 3.53Å; D536-H636 PolarHBondContact OD2-CE1 3.41Å; D536-H636 VanDerWaalsContact OD2-CE1 3.29Å; D536-H636 IonicContact OD2-NE2 3.65Å; D536-H650 IonicContact OD1-NE2 2.72Å
537	H	89.3	Confident	86.2	Confident	31 Å²	31	58.5 Å²	58.5	14%	0.144	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.9	-176.7	-66.3	76.1	0	0	0	110.8	A535 W544 Q545	A535-H537 PolarHBondContact O-CE1 3.45Å; A535-H537 PolarHBondContact O-ND1 2.87Å; H537-W544 HydrophobicContact CB-CD2 4.34Å; H537-W544 HydrophobicContact CB-CE3 3.72Å; H537-W544 HydrophobicContact CB-CZ3 4.27Å; H537-W544 AromaticContact CG-CE3 3.96Å; H537-Q545 CarbonylContact C-O 3.58Å; H537-Q545 VanDerWaalsContact CA-O 3.27Å; H537-Q545 WeakPolarHBondContact CA-O 3.05Å
538	V	84.9	Confident	86.4	Confident	21 Å²	21	57.1 Å²	57.1	13%	0.127	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	158.9	167.7	-65.9	0	0	0	0	109.6	Q545 T547 H650 R652	V538-Q545 PolarHBondContact N-O 2.89Å; V538-Q545 PolarHBondContact O-N 3.39Å; V538-T547 HydrophobicContact CG1-CG2 4.01Å; V538-H650 HydrophobicContact CG1-CB 4.26Å; V538-R652 HydrophobicContact CG2-CG 4.16Å
539	G	76.4	Confident	86.5	Confident	38 Å²	38	52.4 Å²	52.4	39%	0.392	27%	0.267	S	S	.	.	S	Bend	trans	113.6	178.3	-179.2	0	0	0	0	0	112.9	W544	G539-W544 PolarHBondContact O-NE1 3.33Å
540	Q	65.9	Low	86.7	Confident	170 Å²	170	52.4 Å²	52.4	79%	0.794	27%	0.267	S	S	*	.	S	Bend	trans	-127.6	137.2	-179.6	-68.7	-174.7	-8.7	0	0	110.4	F542 D543	Q540-F542 PolarHBondContact O-N 2.85Å; Q540-F542 VanDerWaalsContact O-N 3.11Å; Q540-D543 PolarHBondContact O-N 3.02Å; Q540-D543 VanDerWaalsContact O-N 3.13Å
541	G	67.8	Low	86.8	Confident	49 Å²	49	49.4 Å²	49.4	51%	0.505	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	56.7	-112.8	177.1	0	0	0	0	0	113.7	D543	G541-D543 VanDerWaalsContact C-N 3.34Å
542	F	58.9	Low	87	Confident	210 Å²	210	47 Å²	47	92%	0.921	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-79.8	-13.6	-176.3	-63.5	-77.9	0	0	0	113.9	Q540 W544	Q540-F542 PolarHBondContact O-N 2.85Å; Q540-F542 VanDerWaalsContact O-N 3.11Å; F542-W544 VanDerWaalsContact C-N 3.3Å; F542-W544 PolarHBondContact O-N 2.88Å
543	D	67.9	Low	87.1	Confident	117 Å²	117	41.6 Å²	41.6	63%	0.626	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-92.1	23	-179.5	-61.9	-41.7	0	0	0	113	Q540 G541 Q545	Q540-D543 PolarHBondContact O-N 3.02Å; Q540-D543 VanDerWaalsContact O-N 3.13Å; G541-D543 VanDerWaalsContact C-N 3.34Å; D543-Q545 PolarHBondContact O-N 3.1Å
544	W	77.5	Confident	87	Confident	82 Å²	82	42.3 Å²	42.3	31%	0.311	22%	0.223	S	C	.	.			trans	-66.5	114.4	176.3	-85.8	43.8	0	0	0	110.6	H537 G539 F542 L590 H591	H537-W544 HydrophobicContact CB-CD2 4.34Å; H537-W544 HydrophobicContact CB-CE3 3.72Å; H537-W544 HydrophobicContact CB-CZ3 4.27Å; H537-W544 AromaticContact CG-CE3 3.96Å; G539-W544 PolarHBondContact O-NE1 3.33Å; F542-W544 VanDerWaalsContact C-N 3.3Å; F542-W544 PolarHBondContact O-N 2.88Å; W544-L590 WeakPolarHBondContact CZ3-O 3.06Å; W544-H591 VanDerWaalsContact CH2-O 3.31Å; W544-H591 WeakPolarHBondContact CH2-O 3.39Å
545	Q	83.6	Confident	87	Confident	98 Å²	98	41.7 Å²	41.7	46%	0.458	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.2	179.3	-66.1	179.7	10.6	0	0	109.3	H537 V538 D543 T547 H657	H537-Q545 CarbonylContact C-O 3.58Å; H537-Q545 VanDerWaalsContact CA-O 3.27Å; H537-Q545 WeakPolarHBondContact CA-O 3.05Å; V538-Q545 PolarHBondContact N-O 2.89Å; V538-Q545 PolarHBondContact O-N 3.39Å; D543-Q545 PolarHBondContact O-N 3.1Å; Q545-T547 PolarHBondContact O-N 2.86Å; Q545-H657 PolarHBondContact OE1-CE1 2.87Å
546	S	90	Very high	87	Confident	16 Å²	16	41.7 Å²	41.7	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.6	176.3	-173.5	0	0	0	0	110.4	D536 R632 N633	D536-S546 CarbonylContact O-C 3.45Å; D536-S546 WeakPolarHBondContact O-CA 3.3Å; D536-S546 PolarHBondContact O-OG 2.96Å; S546-R632 WeakPolarHBondContact O-CB 3.4Å; S546-N633 VanDerWaalsContact CB-OD1 3.29Å; S546-N633 WeakPolarHBondContact CB-OD1 3.24Å; S546-N633 PolarHBondContact OG-N 3.33Å
547	T	93.9	Very high	86.6	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.037	22%	0.224	C	C	.	.			trans	-110.7	160.4	-177.9	-171.9	0	0	0	0	110.5	D536 V538 Q545 R632 H650 I651	D536-T547 HydrophobicContact CB-CG2 3.76Å; D536-T547 PolarHBondContact O-N 3.15Å; V538-T547 HydrophobicContact CG1-CG2 4.01Å; Q545-T547 PolarHBondContact O-N 2.86Å; T547-R632 WeakPolarHBondContact O-CA 3.45Å; T547-H650 HydrophobicContact CG2-CB 3.76Å; T547-I651 PolarHBondContact OG1-O 2.75Å; T547-I651 VanDerWaalsContact OG1-O 3.12Å
548	A	96.9	Very high	86.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	154	161.3	0	0	0	0	0	109.9	F352 I630 H650 I651 L653 Y656	F352-A548 HydrophobicContact CD1-CB 4.18Å; F352-A548 HydrophobicContact CE1-CB 3.73Å; F352-A548 HydrophobicContact CZ-CB 4.45Å; A548-I630 CarbonylContact C-O 3.55Å; A548-I630 WeakPolarHBondContact CA-O 3.28Å; A548-I630 WeakPolarHBondContact CB-O 3.03Å; A548-H650 WeakPolarHBondContact O-CA 3.35Å; A548-I651 HydrophobicContact CB-CG2 3.89Å; A548-I651 PolarHBondContact O-N 2.78Å; A548-L653 HydrophobicContact CB-CD1 3.95Å; A548-Y656 HydrophobicContact CB-CE2 4.02Å
549	A	97.8	Very high	85.9	Confident	6 Å²	6	44.7 Å²	44.7	5%	0.05	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.2	176.4	0	0	0	0	0	111.1	D536 I630 W649	D536-A549 VanDerWaalsContact OD2-CB 3.26Å; D536-A549 WeakPolarHBondContact OD2-CB 3.29Å; A549-I630 HydrophobicContact CB-CB 4.42Å; A549-I630 PolarHBondContact N-O 2.88Å; A549-I630 PolarHBondContact O-N 2.57Å; A549-W649 WeakPolarHBondContact CA-O 3.34Å
550	V	98.7	Very high	86	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142	177.3	-173.2	0	0	0	0	108.4	L456 I627 Y628 F629 A648 W649 I651	L456-V550 HydrophobicContact CD2-CG1 4.19Å; V550-I627 HydrophobicContact CG1-CG2 4.42Å; V550-Y628 WeakPolarHBondContact CA-O 3.12Å; V550-F629 HydrophobicContact CB-CD1 4.31Å; V550-F629 HydrophobicContact CG1-CD1 3.75Å; V550-F629 HydrophobicContact CG1-CE1 3.62Å; V550-F629 HydrophobicContact CG1-CZ 4.48Å; V550-F629 HydrophobicContact CG2-CD1 3.79Å; V550-F629 HydrophobicContact CG2-CE1 4.24Å; V550-A648 WeakPolarHBondContact O-CA 3.42Å; V550-A648 WeakPolarHBondContact O-CB 3.43Å; V550-W649 HydrophobicContact CB-CD2 4.31Å; V550-W649 HydrophobicContact CB-CZ2 4.05Å; V550-W649 HydrophobicContact CG1-CH2 4.36Å; V550-W649 HydrophobicContact CG1-CZ2 3.75Å; V550-W649 PolarHBondContact N-O 3.03Å; V550-W649 PolarHBondContact O-N 3.35Å; V550-I651 HydrophobicContact CG2-CG2 4.02Å
551	G	98.5	Very high	86.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.9	174.2	0	0	0	0	0	114.2	I627 Y628 L647	G551-I627 WeakPolarHBondContact O-CA 3.34Å; G551-Y628 PolarHBondContact N-O 3.45Å; G551-Y628 WeakPolarHBondContact O-CD1 3.25Å; G551-Y628 PolarHBondContact O-N 3.46Å; G551-L647 CarbonylContact C-O 3.59Å; G551-L647 WeakPolarHBondContact CA-O 3.32Å
552	V	98.8	Very high	86.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.1	-177.8	-173.5	0	0	0	0	109.3	A371 L374 F377 L456 I627 S646 L647 W649	A371-V552 HydrophobicContact CB-CG1 3.4Å; L374-V552 HydrophobicContact CD1-CG1 4.13Å; F377-V552 HydrophobicContact CZ-CG1 4.05Å; L456-V552 HydrophobicContact CD1-CG2 4Å; L456-V552 HydrophobicContact CD2-CG2 3.95Å; V552-I627 HydrophobicContact CG1-CG1 4.32Å; V552-I627 HydrophobicContact CG2-CG1 4.32Å; V552-I627 HydrophobicContact CG2-CG2 4.46Å; V552-S646 WeakPolarHBondContact O-CA 3.38Å; V552-L647 HydrophobicContact CB-CB 4.17Å; V552-L647 HydrophobicContact CB-CD1 4.36Å; V552-L647 PolarHBondContact N-O 3.39Å; V552-L647 PolarHBondContact O-N 2.97Å; V552-W649 HydrophobicContact CG2-CH2 3.97Å; V552-W649 HydrophobicContact CG2-CZ3 4.18Å
553	L	98.6	Very high	87	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.6	-174.2	-56.3	-176	0	0	0	112.3	T568 K569 L622 N625 D626 Y628 V644 S646	L553-T568 WeakPolarHBondContact CD1-OG1 3.14Å; L553-K569 HydrophobicContact CD1-CD 4.21Å; L553-K569 HydrophobicContact CD1-CG 4.35Å; L553-K569 HydrophobicContact CD2-CD 4.22Å; L553-L622 HydrophobicContact CD1-CB 3.56Å; L553-L622 HydrophobicContact CD1-CD1 3.92Å; L553-L622 HydrophobicContact CD1-CG 4.4Å; L553-N625 VanDerWaalsContact O-CA 3.3Å; L553-N625 WeakPolarHBondContact O-CA 3.28Å; L553-N625 PolarHBondContact O-N 3.23Å; L553-D626 PolarHBondContact N-O 3.37Å; L553-Y628 HydrophobicContact CD1-CD1 4.28Å; L553-Y628 HydrophobicContact CD1-CE1 4.14Å; L553-Y628 HydrophobicContact CD2-CE1 3.85Å; L553-Y628 HydrophobicContact CG-CD1 4.19Å; L553-Y628 HydrophobicContact CG-CE1 3.88Å; L553-V644 HydrophobicContact CB-CG2 4.23Å; L553-V644 HydrophobicContact CD2-CG2 4.21Å; L553-S646 WeakPolarHBondContact CD2-OG 3.46Å
554	K	97.3	Very high	87.6	Confident	14 Å²	14	47.1 Å²	47.1	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.5	166.8	-59	-67.7	-80.1	-169.2	0	108.3	A371 L374 P375 F377 D624 N625 V644 C645	A371-K554 HydrophobicContact CB-CD 4.46Å; A371-K554 PolarHBondContact O-NZ 2.98Å; L374-K554 VanDerWaalsContact O-CE 3.28Å; L374-K554 WeakPolarHBondContact O-CE 3.41Å; L374-K554 PolarHBondContact O-NZ 3.22Å; P375-K554 VanDerWaalsContact O-CE 3.25Å; P375-K554 WeakPolarHBondContact O-CE 3.21Å; F377-K554 HydrophobicContact CD1-CG 4.04Å; F377-K554 HydrophobicContact CD2-CB 4.06Å; F377-K554 HydrophobicContact CD2-CG 3.83Å; F377-K554 HydrophobicContact CE1-CD 4.47Å; F377-K554 HydrophobicContact CE1-CG 3.66Å; F377-K554 HydrophobicContact CE2-CB 4.01Å; F377-K554 HydrophobicContact CE2-CG 3.39Å; F377-K554 HydrophobicContact CG-CB 4.44Å; F377-K554 HydrophobicContact CG-CG 4.14Å; F377-K554 HydrophobicContact CZ-CB 4.39Å; F377-K554 HydrophobicContact CZ-CD 4.26Å; F377-K554 HydrophobicContact CZ-CG 3.31Å; K554-D624 WeakPolarHBondContact CA-OD1 3.39Å; K554-N625 WeakPolarHBondContact CE-OD1 3.49Å; K554-N625 PolarHBondContact NZ-OD1 2.88Å; K554-V644 WeakPolarHBondContact O-CA 3.33Å; K554-V644 WeakPolarHBondContact O-CG2 2.98Å; K554-C645 PolarHBondContact N-O 3.29Å; K554-C645 PolarHBondContact O-N 3.26Å
555	A	95.9	Very high	88	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	137.9	171.7	0	0	0	0	0	108.9	Q557 R566 T568 D624 A643	A555-Q557 PolarHBondContact O-N 3.11Å; A555-R566 HydrophobicContact CB-CB 4.27Å; A555-T568 HydrophobicContact CB-CG2 3.75Å; A555-D624 HydrophobicContact CB-CB 3.77Å; A555-D624 PolarHBondContact N-OD1 2.88Å; A555-A643 WeakPolarHBondContact CA-O 3.1Å
556	V	94.4	Very high	88.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.			trans	-69.6	127.8	174.1	173.8	0	0	0	0	108.2	L378 V412 Y416 V484 F558 A643	L378-V556 HydrophobicContact CD2-CG1 4.38Å; V412-V556 HydrophobicContact CG1-CG1 3.97Å; Y416-V556 HydrophobicContact CD2-CG1 4.01Å; Y416-V556 HydrophobicContact CE2-CB 4.31Å; Y416-V556 HydrophobicContact CE2-CG1 4.03Å; Y416-V556 WeakPolarHBondContact CE2-O 3.28Å; Y416-V556 PolarHBondContact OH-O 3.36Å; Y416-V556 VanDerWaalsContact OH-O 3.04Å; V484-V556 HydrophobicContact CG1-CG2 3.9Å; V556-F558 HydrophobicContact CG1-CD2 3.69Å; V556-F558 HydrophobicContact CG1-CE2 3.48Å; V556-F558 VanDerWaalsContact CG1-CE2 3.48Å; V556-A643 HydrophobicContact CB-CB 3.91Å; V556-A643 HydrophobicContact CG2-CB 4.17Å; V556-A643 PolarHBondContact N-O 2.78Å
557	Q	86.8	Confident	88.7	Confident	36 Å²	36	46.4 Å²	46.4	17%	0.168	24%	0.244	C	C	.	.			trans	-128.9	109.6	-178.7	-56.7	-171.2	25.3	0	0	112.5	D376 A555 D624	D376-Q557 PolarHBondContact OD2-N 2.83Å; A555-Q557 PolarHBondContact O-N 3.11Å; Q557-D624 PolarHBondContact NE2-OD2 3.38Å
558	F	86.1	Confident	88.8	Confident	33 Å²	33	46.1 Å²	46.1	15%	0.145	24%	0.242	C	C	.	.	S	Bend	trans	-106	76.1	173.2	-77.5	-74.9	0	0	0	111.8	L378 H409 V412 N413 Y416 V556 E560	L378-F558 HydrophobicContact CD2-CE2 4.25Å; L378-F558 HydrophobicContact CD2-CZ 4.3Å; H409-F558 AromaticContact CD2-CZ 3.9Å; H409-F558 AromaticContact CE1-CE1 3.56Å; H409-F558 AromaticContact CE1-CZ 3.97Å; H409-F558 AromaticContact NE2-CE1 3.53Å; H409-F558 AromaticContact NE2-CZ 3.69Å; V412-F558 HydrophobicContact CB-CE2 4.07Å; V412-F558 HydrophobicContact CG1-CD2 4.1Å; V412-F558 HydrophobicContact CG1-CE2 3.46Å; V412-F558 VanDerWaalsContact CG1-CE2 3.46Å; V412-F558 HydrophobicContact CG1-CZ 4.36Å; N413-F558 HydrophobicContact CB-CD1 3.56Å; N413-F558 HydrophobicContact CB-CD2 4.43Å; N413-F558 HydrophobicContact CB-CE1 3.45Å; N413-F558 VanDerWaalsContact CB-CE1 3.45Å; N413-F558 HydrophobicContact CB-CE2 4.32Å; N413-F558 HydrophobicContact CB-CG 4.07Å; N413-F558 HydrophobicContact CB-CZ 3.85Å; Y416-F558 HydrophobicContact CD1-CB 3.68Å; Y416-F558 HydrophobicContact CD1-CD2 4.46Å; Y416-F558 HydrophobicContact CD2-CD2 4.01Å; Y416-F558 HydrophobicContact CE1-CB 4.22Å; Y416-F558 HydrophobicContact CG-CB 3.94Å; Y416-F558 AromaticContact CG-CD2 3.88Å; Y416-F558 HydrophobicContact CG-CD2 3.88Å; Y416-F558 HydrophobicContact CG-CG 4.36Å; V556-F558 HydrophobicContact CG1-CD2 3.69Å; V556-F558 HydrophobicContact CG1-CE2 3.48Å; V556-F558 VanDerWaalsContact CG1-CE2 3.48Å; F558-E560 PolarHBondContact O-N 2.94Å; F558-E560 VanDerWaalsContact O-N 3.13Å
559	G	73.1	Confident	88.9	Confident	62 Å²	62	46.4 Å²	46.4	64%	0.639	24%	0.243	S	C	*	.	S	Bend	trans	73.6	-4.9	178.6	0	0	0	0	0	115.5	W561	G559-W561 PolarHBondContact O-N 2.84Å
560	E	77	Confident	88.9	Confident	63 Å²	63	47.1 Å²	47.1	29%	0.294	25%	0.246	S	C	.	.			trans	-92.8	69	173.6	-65.6	-175.4	175.5	0	0	111.5	Y416 C418 G419 F558	Y416-E560 HydrophobicContact CE1-CB 4.06Å; Y416-E560 HydrophobicContact CE1-CG 3.97Å; Y416-E560 VanDerWaalsContact CE1-OE2 3.29Å; Y416-E560 WeakPolarHBondContact CE1-OE2 3.35Å; C418-E560 WeakPolarHBondContact CA-OE2 3.45Å; C418-E560 PolarHBondContact N-OE1 3.15Å; C418-E560 PolarHBondContact N-OE2 3.24Å; G419-E560 PolarHBondContact N-OE2 3.41Å; F558-E560 PolarHBondContact O-N 2.94Å; F558-E560 VanDerWaalsContact O-N 3.13Å
561	W	72.4	Confident	88.9	Confident	210 Å²	210	47.2 Å²	47.2	80%	0.795	25%	0.247	S	C	*	.			trans	-70.2	144.4	173.9	-59.1	83.9	0	0	0	110.8	G559	G559-W561 PolarHBondContact O-N 2.84Å
562	S	71.8	Confident	88.9	Confident	69 Å²	69	47.8 Å²	47.8	48%	0.483	25%	0.25	S	C	.	.			trans	-137.7	131.9	-179.4	169.2	0	0	0	0	109.4	Q564	S562-Q564 PolarHBondContact O-N 3.35Å; S562-Q564 PolarHBondContact OG-N 2.95Å; S562-Q564 VanDerWaalsContact OG-N 3.16Å; S562-Q564 PolarHBondContact OG-O 3.29Å
563	D	70.3	Confident	88.9	Confident	177 Å²	177	47.9 Å²	47.9	95%	0.947	25%	0.251	S	S	*	.	S	Bend	trans	-68.1	-18.3	173.4	-55.9	-40.9	0	0	0	112.3
564	Q	79.9	Confident	88.9	Confident	116 Å²	116	48 Å²	48	54%	0.542	25%	0.251	S	S	.	.	S	Bend	trans	-96.7	135.5	174.4	-60	-165.8	-44.1	0	0	110.8	M290 S562 R566	M290-Q564 HydrophobicContact CE-CG 4.38Å; M290-Q564 HydrophobicContact SD-CB 4.08Å; M290-Q564 HydrophobicContact SD-CG 3.69Å; M290-Q564 PolarHBondContact SD-NE2 2.94Å; M290-Q564 VanDerWaalsContact SD-NE2 3.41Å; S562-Q564 PolarHBondContact O-N 3.35Å; S562-Q564 PolarHBondContact OG-N 2.95Å; S562-Q564 VanDerWaalsContact OG-N 3.16Å; S562-Q564 PolarHBondContact OG-O 3.29Å; Q564-R566 PolarHBondContact O-N 2.99Å
565	P	85.9	Confident	88.9	Confident	68 Å²	68	47.8 Å²	47.8	44%	0.442	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-64.9	129.3	178.1	28.3	-34.8	0	0	0	110.4	C623	P565-C623 HydrophobicContact CB-CB 4.19Å
566	R	91.9	Very high	89	Confident	53 Å²	53	48 Å²	48	20%	0.2	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-77.2	126	-177.6	-175.3	-179.9	-60.8	-85.2	4.3	110	C418 A555 Q564 T568 C623 D624	C418-R566 PolarHBondContact O-NH1 2.98Å; A555-R566 HydrophobicContact CB-CB 4.27Å; Q564-R566 PolarHBondContact O-N 2.99Å; R566-T568 PolarHBondContact O-N 3.3Å; R566-C623 CarbonylContact O-C 3.59Å; R566-C623 WeakPolarHBondContact O-CA 3.48Å; R566-D624 HydrophobicContact CB-CB 4.42Å; R566-D624 PolarHBondContact O-N 3.14Å
567	I	95.8	Very high	89.2	Confident	61 Å²	61	50.6 Å²	50.6	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	124	169.5	-56.2	157.7	0	0	0	108.4	Q621 V641 S642	I567-Q621 HydrophobicContact CG2-CB 3.82Å; I567-Q621 HydrophobicContact CG2-CG 4.08Å; I567-V641 HydrophobicContact CB-CG2 4.39Å; I567-V641 HydrophobicContact CG2-CG2 3.76Å; I567-V641 WeakPolarHBondContact O-CG2 3.19Å; I567-S642 WeakPolarHBondContact O-CB 3.49Å; I567-S642 PolarHBondContact O-OG 2.86Å
568	T	97.3	Very high	89.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-35	-176.6	59.1	0	0	0	0	113	L553 A555 R566 L622 V641 S642 V644	L553-T568 WeakPolarHBondContact CD1-OG1 3.14Å; A555-T568 HydrophobicContact CB-CG2 3.75Å; R566-T568 PolarHBondContact O-N 3.3Å; T568-L622 PolarHBondContact N-O 2.98Å; T568-L622 PolarHBondContact OG1-O 3.11Å; T568-V641 WeakPolarHBondContact O-CG2 3.38Å; T568-V641 PolarHBondContact O-N 3.24Å; T568-S642 PolarHBondContact O-N 3.46Å; T568-V644 HydrophobicContact CG2-CB 3.95Å; T568-V644 HydrophobicContact CG2-CG2 3.74Å
569	K	98.4	Very high	90.2	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.8	178.5	-54.5	-174.9	-164.7	-85.9	0	112.6	L553 V571 Q621 L622 F638 K639 S646	L553-K569 HydrophobicContact CD1-CD 4.21Å; L553-K569 HydrophobicContact CD1-CG 4.35Å; L553-K569 HydrophobicContact CD2-CD 4.22Å; K569-V571 HydrophobicContact CB-CG2 3.92Å; K569-Q621 WeakPolarHBondContact O-CA 3.34Å; K569-L622 HydrophobicContact CB-CB 4.37Å; K569-L622 PolarHBondContact N-O 3.41Å; K569-L622 VanDerWaalsContact N-O 3.15Å; K569-L622 PolarHBondContact O-N 3.03Å; K569-F638 HydrophobicContact CB-CD1 4.33Å; K569-F638 HydrophobicContact CD-CD1 3.48Å; K569-F638 VanDerWaalsContact CD-CD1 3.48Å; K569-F638 HydrophobicContact CD-CE1 3.87Å; K569-F638 HydrophobicContact CD-CG 4.38Å; K569-F638 HydrophobicContact CG-CD1 4.5Å; K569-K639 CarbonylContact C-O 3.44Å; K569-K639 VanDerWaalsContact CA-O 3.23Å; K569-K639 WeakPolarHBondContact CA-O 3.16Å; K569-S646 VanDerWaalsContact CE-OG 3.29Å; K569-S646 WeakPolarHBondContact CE-OG 3.31Å; K569-S646 PolarHBondContact NZ-OG 3.39Å
570	D	98.1	Very high	91.3	Very high	21 Å²	21	51.6 Å²	51.6	11%	0.112	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.4	165.8	177.9	16.2	0	0	0	106.3	R619 K639 V641	D570-R619 WeakPolarHBondContact OD1-CG 3.33Å; D570-R619 IonicContact OD1-CZ 3.02Å; D570-R619 IonicContact OD1-NE 3.51Å; D570-R619 PolarHBondContact OD1-NE 3.2Å; D570-R619 IonicContact OD1-NH2 3.64Å; D570-R619 IonicContact OD2-CZ 3.31Å; D570-R619 IonicContact OD2-NE 3.68Å; D570-R619 PolarHBondContact OD2-NE 3.34Å; D570-R619 IonicContact OD2-NH2 2.89Å; D570-R619 PolarHBondContact OD2-NH2 3.4Å; D570-K639 HydrophobicContact CB-CB 4.26Å; D570-K639 PolarHBondContact N-O 3.07Å; D570-K639 WeakPolarHBondContact O-CB 3.5Å; D570-K639 PolarHBondContact O-N 2.89Å; D570-V641 HydrophobicContact CB-CG1 3.93Å
571	V	98.4	Very high	92.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	137	-163.8	-167.1	0	0	0	0	109.6	K569 R619 I620 L622 Q637 F638	K569-V571 HydrophobicContact CB-CG2 3.92Å; V571-R619 CarbonylContact O-C 3.54Å; V571-R619 WeakPolarHBondContact O-CA 3.35Å; V571-I620 PolarHBondContact N-O 2.77Å; V571-I620 PolarHBondContact O-N 3.31Å; V571-L622 HydrophobicContact CG2-CD1 3.67Å; V571-L622 HydrophobicContact CG2-CG 3.76Å; V571-Q637 WeakPolarHBondContact CA-O 3.35Å; V571-F638 HydrophobicContact CB-CD1 4.25Å; V571-F638 HydrophobicContact CB-CE1 4.28Å; V571-F638 HydrophobicContact CG1-CD1 3.81Å; V571-F638 HydrophobicContact CG1-CE1 3.63Å; V571-F638 HydrophobicContact CG1-CG 4.47Å; V571-F638 HydrophobicContact CG1-CZ 4.14Å; V571-F638 HydrophobicContact CG2-CD1 3.55Å; V571-F638 HydrophobicContact CG2-CE1 3.6Å
572	I	98.6	Very high	93.5	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.7	170	-68	158	0	0	0	107.4	F574 L607 A618 R619 H636 Q637	I572-F574 HydrophobicContact CG2-CD2 4.47Å; I572-F574 HydrophobicContact CG2-CE2 3.99Å; I572-F574 HydrophobicContact CG2-CZ 4.12Å; I572-L607 HydrophobicContact CD1-CD1 3.79Å; I572-L607 HydrophobicContact CD1-CD2 4.48Å; I572-L607 HydrophobicContact CD1-CG 4.43Å; I572-L607 HydrophobicContact CG1-CD1 4.14Å; I572-L607 HydrophobicContact CG2-CD2 3.91Å; I572-A618 WeakPolarHBondContact CA-O 3.08Å; I572-R619 HydrophobicContact CG1-CB 4.39Å; I572-R619 HydrophobicContact CG1-CG 4.2Å; I572-H636 CarbonylContact O-C 3.1Å; I572-H636 WeakPolarHBondContact O-CA 3.44Å; I572-H636 WeakPolarHBondContact O-CB 3.26Å; I572-Q637 HydrophobicContact CB-CB 4.35Å; I572-Q637 PolarHBondContact N-O 2.88Å; I572-Q637 PolarHBondContact O-N 3.06Å
573	C	98.6	Very high	94.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130	172.2	-63.8	0	0	0	0	109.4	A363 Y617 A618 V634 H636	A363-C573 HydrophobicContact CB-CB 4Å; A363-C573 WeakPolarHBondContact O-CB 3.29Å; C573-Y617 CarbonylContact O-C 3.49Å; C573-Y617 VanDerWaalsContact O-CA 3.22Å; C573-Y617 WeakPolarHBondContact O-CA 3.37Å; C573-A618 PolarHBondContact N-O 3.24Å; C573-A618 PolarHBondContact O-N 3.14Å; C573-V634 HydrophobicContact CB-CG1 3.81Å; C573-H636 HydrophobicContact CB-CB 4.44Å
574	F	98.7	Very high	95.9	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.7	173.9	-66.8	-79.7	0	0	0	110.6	I572 V582 L586 V602 L607 M610 I615 I635	I572-F574 HydrophobicContact CG2-CD2 4.47Å; I572-F574 HydrophobicContact CG2-CE2 3.99Å; I572-F574 HydrophobicContact CG2-CZ 4.12Å; F574-V582 HydrophobicContact CB-CG2 3.97Å; F574-V582 HydrophobicContact CD1-CG1 4.43Å; F574-V582 HydrophobicContact CD1-CG2 3.76Å; F574-V582 HydrophobicContact CD2-CG1 3.82Å; F574-V582 HydrophobicContact CD2-CG2 4.46Å; F574-V582 HydrophobicContact CE1-CG2 4.37Å; F574-V582 HydrophobicContact CE2-CG1 4.08Å; F574-V582 HydrophobicContact CG-CG1 4.01Å; F574-V582 HydrophobicContact CG-CG2 3.81Å; F574-V582 HydrophobicContact CZ-CG1 4.49Å; F574-L586 HydrophobicContact CE2-CD1 4.13Å; F574-L586 HydrophobicContact CZ-CD1 4.45Å; F574-V602 HydrophobicContact CZ-CG1 4.19Å; F574-L607 HydrophobicContact CE1-CD2 4.05Å; F574-L607 HydrophobicContact CZ-CD2 3.95Å; F574-M610 HydrophobicContact CD1-CE 4.17Å; F574-M610 HydrophobicContact CE1-CE 3.41Å; F574-M610 VanDerWaalsContact CE1-CE 3.41Å; F574-M610 HydrophobicContact CE1-SD 4.13Å; F574-M610 HydrophobicContact CZ-CE 3.64Å; F574-M610 HydrophobicContact CZ-SD 4.1Å; F574-I615 HydrophobicContact CD1-CG2 3.7Å; F574-I615 HydrophobicContact CE1-CG2 4.13Å; F574-I635 HydrophobicContact CB-CB 4.46Å; F574-I635 HydrophobicContact CD2-CB 4.12Å; F574-I635 HydrophobicContact CD2-CG2 3.87Å; F574-I635 WeakPolarHBondContact CD2-O 3.48Å; F574-I635 HydrophobicContact CE2-CG2 4.4Å; F574-I635 PolarHBondContact N-O 2.85Å
575	H	98.4	Very high	96.6	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.046	18%	0.182	C	C	.	.			trans	-66.2	138.6	-179.5	-173.1	-82.6	0	0	0	111.3	A322 Y361 E577 D578 R616	A322-H575 HydrophobicContact CB-CB 4.22Å; Y361-H575 PolarHBondContact O-NE2 2.81Å; H575-E577 VanDerWaalsContact C-N 3.32Å; H575-E577 IonicContact CE1-OE2 3.88Å; H575-E577 PolarHBondContact ND1-N 3.44Å; H575-E577 IonicContact ND1-OE2 3.76Å; H575-E577 PolarHBondContact O-N 3.12Å; H575-D578 PolarHBondContact O-N 3.49Å; H575-R616 HydrophobicContact CB-CB 3.72Å; H575-R616 PolarHBondContact CE1-NH1 3Å; H575-R616 PolarHBondContact N-O 3.18Å; H575-R616 VanDerWaalsContact N-O 3.11Å; H575-R616 PolarHBondContact ND1-NH1 3.03Å; H575-R616 PolarHBondContact ND1-NH2 3.38Å; H575-R616 PolarHBondContact NE2-NH1 2.93Å
576	A	97.8	Very high	97.1	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.8	-34.4	-170.3	0	0	0	0	0	114.4	A359 A360 D578 F579 N633 V634	A359-A576 HydrophobicContact CB-CB 4.02Å; A360-A576 HydrophobicContact CB-CB 4.12Å; A576-D578 PolarHBondContact O-N 2.78Å; A576-F579 VanDerWaalsContact O-CB 3.23Å; A576-F579 WeakPolarHBondContact O-CB 3.46Å; A576-F579 PolarHBondContact O-N 3.46Å; A576-N633 WeakPolarHBondContact CA-O 3.37Å; A576-N633 HydrophobicContact CB-CB 4.2Å; A576-V634 HydrophobicContact CB-CG2 4.27Å
577	E	97.1	Very high	97.3	Very high	55 Å²	55	36.7 Å²	36.7	26%	0.257	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-61.5	-26.2	173.4	-74	-172	124.7	0	0	113.6	N355 K357 A359 H575 F579 R616	N355-E577 VanDerWaalsContact ND2-CD 3.32Å; N355-E577 PolarHBondContact ND2-OE1 2.94Å; K357-E577 WeakPolarHBondContact CD-OE1 3.45Å; K357-E577 WeakPolarHBondContact CE-OE1 3.26Å; K357-E577 IonicContact NZ-OE1 3.75Å; K357-E577 PolarHBondContact NZ-OE1 2.91Å; A359-E577 HydrophobicContact CB-CB 4.13Å; A359-E577 HydrophobicContact CB-CG 3.37Å; H575-E577 VanDerWaalsContact C-N 3.32Å; H575-E577 IonicContact CE1-OE2 3.88Å; H575-E577 PolarHBondContact ND1-N 3.44Å; H575-E577 IonicContact ND1-OE2 3.76Å; H575-E577 PolarHBondContact O-N 3.12Å; E577-F579 VanDerWaalsContact C-N 3.31Å; E577-R616 IonicContact OE2-CZ 3.69Å; E577-R616 VanDerWaalsContact OE2-CZ 3.28Å; E577-R616 IonicContact OE2-NH1 2.76Å; E577-R616 PolarHBondContact OE2-NH1 3.12Å; E577-R616 IonicContact OE2-NH2 2.83Å; E577-R616 PolarHBondContact OE2-NH2 2.71Å
578	D	97.6	Very high	97.2	Very high	16 Å²	16	34.5 Å²	34.5	9%	0.086	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-93.2	5	-174.6	-52.6	-21.1	0	0	0	111.3	H575 A576 T580 D581 V582 I615 R616	H575-D578 PolarHBondContact O-N 3.49Å; A576-D578 PolarHBondContact O-N 2.78Å; D578-T580 PolarHBondContact O-N 2.96Å; D578-D581 PolarHBondContact O-N 2.96Å; D578-V582 WeakPolarHBondContact O-CG2 3.2Å; D578-V582 PolarHBondContact O-N 3.48Å; D578-I615 HydrophobicContact CB-CG2 4.18Å; D578-R616 IonicContact OD1-CZ 2.79Å; D578-R616 IonicContact OD1-NE 2.74Å; D578-R616 IonicContact OD1-NH2 3.28Å; D578-R616 PolarHBondContact OD1-NH2 3.37Å; D578-R616 VanDerWaalsContact OD2-CB 3.31Å; D578-R616 WeakPolarHBondContact OD2-CB 3.35Å; D578-R616 IonicContact OD2-CZ 3.3Å; D578-R616 PolarHBondContact OD2-N 3.25Å; D578-R616 IonicContact OD2-NE 3.8Å; D578-R616 PolarHBondContact OD2-NE 3.25Å; D578-R616 IonicContact OD2-NH2 2.77Å
579	F	97.1	Very high	97	Very high	31 Å²	31	38.2 Å²	38.2	14%	0.136	19%	0.192	C	C	.	.	H	α-helix	trans	-47.5	-57.7	-176.3	177.3	-101.8	0	0	0	112.8	A535 A576 E577 D581 V582 V583 L590 N633 I635	A535-F579 HydrophobicContact CB-CE2 3.79Å; A576-F579 VanDerWaalsContact O-CB 3.23Å; A576-F579 WeakPolarHBondContact O-CB 3.46Å; A576-F579 PolarHBondContact O-N 3.46Å; E577-F579 VanDerWaalsContact C-N 3.31Å; F579-D581 VanDerWaalsContact C-N 3.32Å; F579-D581 PolarHBondContact O-N 3.45Å; F579-V582 PolarHBondContact O-N 2.67Å; F579-V582 VanDerWaalsContact O-N 3.1Å; F579-V583 HydrophobicContact CD1-CG2 4.23Å; F579-V583 HydrophobicContact CE1-CG2 4.01Å; F579-V583 HydrophobicContact CE2-CG2 4.31Å; F579-V583 HydrophobicContact CG-CG2 4.49Å; F579-V583 HydrophobicContact CZ-CG2 4.07Å; F579-V583 WeakPolarHBondContact O-CG2 3.29Å; F579-V583 PolarHBondContact O-N 3.42Å; F579-L590 HydrophobicContact CE1-CD1 3.95Å; F579-L590 HydrophobicContact CZ-CD1 3.64Å; F579-L590 HydrophobicContact CZ-CD2 4.43Å; F579-N633 HydrophobicContact CB-CB 4.34Å; F579-N633 HydrophobicContact CD2-CB 4.11Å; F579-N633 WeakPolarHBondContact CD2-O 3.34Å; F579-N633 HydrophobicContact CG-CB 4.19Å; F579-I635 HydrophobicContact CD2-CD1 3.48Å; F579-I635 VanDerWaalsContact CD2-CD1 3.48Å; F579-I635 HydrophobicContact CD2-CG1 3.68Å; F579-I635 HydrophobicContact CE2-CD1 3.79Å; F579-I635 HydrophobicContact CE2-CG1 3.77Å; F579-I635 HydrophobicContact CG-CD1 4.24Å
580	T	96.1	Very high	96.7	Very high	105 Å²	105	39.6 Å²	39.6	64%	0.644	20%	0.199	S	C	*	.	H	α-helix	trans	-59.7	-40.6	-177.3	-51.2	0	0	0	0	112.4	D578 V582 Q584	D578-T580 PolarHBondContact O-N 2.96Å; T580-V582 VanDerWaalsContact C-N 3.35Å; T580-Q584 PolarHBondContact O-N 3.41Å; T580-Q584 VanDerWaalsContact O-N 3.13Å
581	D	97.3	Very high	96.2	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.353	22%	0.223	S	C	.	.	H	α-helix	trans	-65.5	-38.7	177.4	-85.9	-59.8	0	0	0	111.7	D578 F579 R585 I615	D578-D581 PolarHBondContact O-N 2.96Å; F579-D581 VanDerWaalsContact C-N 3.32Å; F579-D581 PolarHBondContact O-N 3.45Å; D581-R585 WeakPolarHBondContact O-CB 3.28Å; D581-R585 VanDerWaalsContact O-CD 3.3Å; D581-R585 WeakPolarHBondContact O-CD 3.42Å; D581-R585 VanDerWaalsContact O-CG 3.29Å; D581-R585 WeakPolarHBondContact O-CG 3.35Å; D581-R585 PolarHBondContact O-N 2.93Å; D581-R585 VanDerWaalsContact O-N 3.08Å; D581-R585 PolarHBondContact O-NH1 3.48Å; D581-R585 VanDerWaalsContact O-NH1 3.09Å; D581-R585 IonicContact OD1-CZ 3.04Å; D581-R585 IonicContact OD1-NH1 3.75Å; D581-R585 PolarHBondContact OD1-NH1 2.91Å; D581-R585 IonicContact OD1-NH2 2.73Å; D581-R585 PolarHBondContact OD1-NH2 3Å; D581-I615 HydrophobicContact CB-CD1 4.15Å; D581-I615 HydrophobicContact CB-CG1 4.3Å
582	V	97.8	Very high	95.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-45.5	177.3	176.4	0	0	0	0	111.3	F574 D578 F579 T580 Q584 R585 L586 M610 I615 I635	F574-V582 HydrophobicContact CB-CG2 3.97Å; F574-V582 HydrophobicContact CD1-CG1 4.43Å; F574-V582 HydrophobicContact CD1-CG2 3.76Å; F574-V582 HydrophobicContact CD2-CG1 3.82Å; F574-V582 HydrophobicContact CD2-CG2 4.46Å; F574-V582 HydrophobicContact CE1-CG2 4.37Å; F574-V582 HydrophobicContact CE2-CG1 4.08Å; F574-V582 HydrophobicContact CG-CG1 4.01Å; F574-V582 HydrophobicContact CG-CG2 3.81Å; F574-V582 HydrophobicContact CZ-CG1 4.49Å; D578-V582 WeakPolarHBondContact O-CG2 3.2Å; D578-V582 PolarHBondContact O-N 3.48Å; F579-V582 PolarHBondContact O-N 2.67Å; F579-V582 VanDerWaalsContact O-N 3.1Å; T580-V582 VanDerWaalsContact C-N 3.35Å; V582-Q584 VanDerWaalsContact C-N 3.3Å; V582-Q584 PolarHBondContact O-N 3.25Å; V582-R585 PolarHBondContact O-N 2.78Å; V582-L586 HydrophobicContact CG1-CD1 3.64Å; V582-L586 HydrophobicContact CG1-CG 4.09Å; V582-L586 WeakPolarHBondContact O-CB 3.36Å; V582-L586 PolarHBondContact O-N 3.28Å; V582-M610 HydrophobicContact CB-CE 4.38Å; V582-M610 HydrophobicContact CG1-CE 4.09Å; V582-M610 HydrophobicContact CG2-CE 3.9Å; V582-I615 HydrophobicContact CG2-CD1 4.08Å; V582-I615 HydrophobicContact CG2-CG2 3.71Å; V582-I635 HydrophobicContact CB-CD1 3.8Å; V582-I635 HydrophobicContact CG1-CB 4.14Å; V582-I635 HydrophobicContact CG1-CD1 3.61Å; V582-I635 HydrophobicContact CG1-CG1 4.48Å; V582-I635 HydrophobicContact CG1-CG2 3.91Å
583	V	96.3	Very high	95.1	Very high	28 Å²	28	51.2 Å²	51.2	17%	0.17	26%	0.258	C	S	.	.	H	α-helix	trans	-50.4	-52.4	173.2	171	0	0	0	0	110	F579 R585 Q587 L588 L590 I635	F579-V583 HydrophobicContact CD1-CG2 4.23Å; F579-V583 HydrophobicContact CE1-CG2 4.01Å; F579-V583 HydrophobicContact CE2-CG2 4.31Å; F579-V583 HydrophobicContact CG-CG2 4.49Å; F579-V583 HydrophobicContact CZ-CG2 4.07Å; F579-V583 WeakPolarHBondContact O-CG2 3.29Å; F579-V583 PolarHBondContact O-N 3.42Å; V583-R585 PolarHBondContact O-N 3.08Å; V583-Q587 WeakPolarHBondContact O-CA 3.46Å; V583-Q587 PolarHBondContact O-N 3.08Å; V583-L588 HydrophobicContact CG1-CB 4.27Å; V583-L588 HydrophobicContact CG2-CD1 4.27Å; V583-L588 PolarHBondContact O-N 2.72Å; V583-L590 HydrophobicContact CG1-CD1 4.31Å; V583-L590 HydrophobicContact CG1-CG 4.31Å; V583-L590 HydrophobicContact CG2-CD1 3.92Å; V583-L590 HydrophobicContact CG2-CD2 4.21Å; V583-L590 HydrophobicContact CG2-CG 4.28Å; V583-I635 HydrophobicContact CG2-CD1 3.75Å
584	Q	96.3	Very high	94.5	Very high	137 Å²	137	53.2 Å²	53.2	64%	0.64	27%	0.271	S	S	*	.	H	α-helix	trans	-64.1	-40.3	-178.4	-170.6	-178.3	4.8	0	0	113	T580 V582	T580-Q584 PolarHBondContact O-N 3.41Å; T580-Q584 VanDerWaalsContact O-N 3.13Å; V582-Q584 VanDerWaalsContact C-N 3.3Å; V582-Q584 PolarHBondContact O-N 3.25Å
585	R	95.5	Very high	93.9	Very high	68 Å²	68	58.5 Å²	58.5	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-85.4	-21.4	-173.5	-76	164.1	179.8	77.9	-18.6	115.4	D581 V582 V583 K606 E613 I615	D581-R585 WeakPolarHBondContact O-CB 3.28Å; D581-R585 VanDerWaalsContact O-CD 3.3Å; D581-R585 WeakPolarHBondContact O-CD 3.42Å; D581-R585 VanDerWaalsContact O-CG 3.29Å; D581-R585 WeakPolarHBondContact O-CG 3.35Å; D581-R585 PolarHBondContact O-N 2.93Å; D581-R585 VanDerWaalsContact O-N 3.08Å; D581-R585 PolarHBondContact O-NH1 3.48Å; D581-R585 VanDerWaalsContact O-NH1 3.09Å; D581-R585 IonicContact OD1-CZ 3.04Å; D581-R585 IonicContact OD1-NH1 3.75Å; D581-R585 PolarHBondContact OD1-NH1 2.91Å; D581-R585 IonicContact OD1-NH2 2.73Å; D581-R585 PolarHBondContact OD1-NH2 3Å; V582-R585 PolarHBondContact O-N 2.78Å; V583-R585 PolarHBondContact O-N 3.08Å; R585-K606 PolarHBondContact O-NZ 3.04Å; R585-E613 WeakPolarHBondContact CD-OE2 3.41Å; R585-E613 IonicContact CZ-OE2 3.91Å; R585-E613 IonicContact NE-OE2 3.49Å; R585-E613 PolarHBondContact NE-OE2 2.99Å; R585-I615 VanDerWaalsContact CD-CD1 3.44Å
586	L	96.5	Very high	93.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-96.2	-7.1	170.2	-60.7	-173.6	0	0	0	112.1	A533 F574 V582 L588 V602 K606 M610	A533-L586 HydrophobicContact CB-CD1 3.77Å; F574-L586 HydrophobicContact CE2-CD1 4.13Å; F574-L586 HydrophobicContact CZ-CD1 4.45Å; V582-L586 HydrophobicContact CG1-CD1 3.64Å; V582-L586 HydrophobicContact CG1-CG 4.09Å; V582-L586 WeakPolarHBondContact O-CB 3.36Å; V582-L586 PolarHBondContact O-N 3.28Å; L586-L588 VanDerWaalsContact C-N 3.35Å; L586-L588 HydrophobicContact CB-CD2 3.92Å; L586-L588 HydrophobicContact CB-CG 4.03Å; L586-V602 HydrophobicContact CD1-CG2 3.75Å; L586-V602 HydrophobicContact CD2-CG2 3.8Å; L586-V602 HydrophobicContact CG-CG2 4.46Å; L586-K606 VanDerWaalsContact CD2-CE 3.49Å; L586-K606 HydrophobicContact CD2-CG 4.46Å; L586-M610 HydrophobicContact CD2-CE 4.28Å; L586-M610 HydrophobicContact CD2-SD 3.94Å; L586-M610 HydrophobicContact CG-CE 4.26Å
587	Q	95.6	Very high	93.1	Very high	145 Å²	145	60 Å²	60	68%	0.678	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	51.7	-175.6	-60.5	173.8	-9.6	0	0	110.5	V583 D589	V583-Q587 WeakPolarHBondContact O-CA 3.46Å; V583-Q587 PolarHBondContact O-N 3.08Å; Q587-D589 PolarHBondContact O-N 3.13Å
588	L	94.8	Very high	93	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.073	30%	0.302	C	S	.	.			trans	-71.9	124.5	177.2	-57.6	-176.9	0	0	0	109.7	V583 L586 L590 Q597 C598 I635	V583-L588 HydrophobicContact CG1-CB 4.27Å; V583-L588 HydrophobicContact CG2-CD1 4.27Å; V583-L588 PolarHBondContact O-N 2.72Å; L586-L588 VanDerWaalsContact C-N 3.35Å; L586-L588 HydrophobicContact CB-CD2 3.92Å; L586-L588 HydrophobicContact CB-CG 4.03Å; L588-L590 HydrophobicContact CB-CD2 4.1Å; L588-L590 HydrophobicContact CD1-CD2 4.43Å; L588-L590 PolarHBondContact O-N 3.17Å; L588-Q597 WeakPolarHBondContact CA-O 3.39Å; L588-C598 HydrophobicContact CD2-CB 3.36Å; L588-I635 HydrophobicContact CD1-CD1 3.6Å; L588-I635 HydrophobicContact CD1-CG1 3.91Å; L588-I635 HydrophobicContact CD1-CG2 3.89Å
589	D	92.9	Very high	92.7	Very high	78 Å²	78	61.9 Å²	61.9	42%	0.417	33%	0.329	S	S	.	.			trans	-85.1	103.9	162.3	-166.3	-26.4	0	0	0	108	Q587 H591 E592 Q597	Q587-D589 PolarHBondContact O-N 3.13Å; D589-H591 PolarHBondContact O-N 2.87Å; D589-H591 WeakPolarHBondContact OD1-CB 3.26Å; D589-H591 IonicContact OD1-CD2 2.69Å; D589-H591 PolarHBondContact OD1-N 3.49Å; D589-E592 HydrophobicContact CB-CB 4.32Å; D589-E592 HydrophobicContact CB-CG 4.02Å; D589-E592 PolarHBondContact O-N 2.85Å; D589-Q597 PolarHBondContact N-O 3.45Å; D589-Q597 WeakPolarHBondContact O-CA 3.46Å; D589-Q597 WeakPolarHBondContact O-CG 3.17Å
590	L	90.7	Very high	92.4	Very high	36 Å²	36	64 Å²	64	19%	0.188	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.3	-179.1	-64	-175.2	0	0	0	113.5	W544 F579 V583 L588	W544-L590 WeakPolarHBondContact CZ3-O 3.06Å; F579-L590 HydrophobicContact CE1-CD1 3.95Å; F579-L590 HydrophobicContact CZ-CD1 3.64Å; F579-L590 HydrophobicContact CZ-CD2 4.43Å; V583-L590 HydrophobicContact CG1-CD1 4.31Å; V583-L590 HydrophobicContact CG1-CG 4.31Å; V583-L590 HydrophobicContact CG2-CD1 3.92Å; V583-L590 HydrophobicContact CG2-CD2 4.21Å; V583-L590 HydrophobicContact CG2-CG 4.28Å; L588-L590 HydrophobicContact CB-CD2 4.1Å; L588-L590 HydrophobicContact CD1-CD2 4.43Å; L588-L590 PolarHBondContact O-N 3.17Å
591	H	87.7	Confident	92.4	Very high	132 Å²	132	62.6 Å²	62.6	61%	0.611	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.1	173.6	-59.4	-66.4	0	0	0	112.8	W544 D589	W544-H591 VanDerWaalsContact CH2-O 3.31Å; W544-H591 WeakPolarHBondContact CH2-O 3.39Å; D589-H591 PolarHBondContact O-N 2.87Å; D589-H591 WeakPolarHBondContact OD1-CB 3.26Å; D589-H591 IonicContact OD1-CD2 2.69Å; D589-H591 PolarHBondContact OD1-N 3.49Å
592	E	89.4	Confident	92.4	Very high	83 Å²	83	59.5 Å²	59.5	39%	0.388	31%	0.306	S	S	.	.	S	Bend	trans	-82.8	150	172	-77	-76.6	145.2	0	0	111	D589 S596 Q597	D589-E592 HydrophobicContact CB-CB 4.32Å; D589-E592 HydrophobicContact CB-CG 4.02Å; D589-E592 PolarHBondContact O-N 2.85Å; E592-S596 WeakPolarHBondContact OE2-CB 3.49Å; E592-S596 PolarHBondContact OE2-OG 3.39Å; E592-Q597 HydrophobicContact CB-CG 4.37Å; E592-Q597 WeakPolarHBondContact O-CG 3.19Å; E592-Q597 PolarHBondContact O-NE2 2.99Å
593	P	85.9	Confident	92.4	Very high	63 Å²	63	63.3 Å²	63.3	41%	0.409	33%	0.327	S	S	.	.			trans	-63.2	155.9	171.4	27.6	-34.8	0	0	0	111.2	V595 S596 Q597	P593-V595 HydrophobicContact CG-CG2 4.28Å; P593-V595 PolarHBondContact O-N 3.31Å; P593-S596 WeakPolarHBondContact CD-OG 3.24Å; P593-S596 PolarHBondContact O-N 2.72Å; P593-S596 PolarHBondContact O-OG 3.37Å; P593-Q597 PolarHBondContact O-N 2.97Å
594	P	86.2	Confident	92.3	Very high	45 Å²	45	66.2 Å²	66.2	29%	0.292	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-35.1	-176.2	-38.5	39.6	0	0	0	117.3	H534 S596	H534-P594 HydrophobicContact CB-CB 4.08Å; P594-S596 VanDerWaalsContact C-N 3.31Å; P594-S596 PolarHBondContact O-N 2.83Å
595	V	84.3	Confident	92.4	Very high	112 Å²	112	62.8 Å²	62.8	68%	0.679	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.5	-179.2	-65.4	0	0	0	0	114.8	P593	P593-V595 HydrophobicContact CG-CG2 4.28Å; P593-V595 PolarHBondContact O-N 3.31Å
596	S	88	Confident	92.5	Very high	43 Å²	43	61.2 Å²	61.2	30%	0.301	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-12.6	-178.1	36.2	0	0	0	0	115.1	E592 P593 P594 C598	E592-S596 WeakPolarHBondContact OE2-CB 3.49Å; E592-S596 PolarHBondContact OE2-OG 3.39Å; P593-S596 WeakPolarHBondContact CD-OG 3.24Å; P593-S596 PolarHBondContact O-N 2.72Å; P593-S596 PolarHBondContact O-OG 3.37Å; P594-S596 VanDerWaalsContact C-N 3.31Å; P594-S596 PolarHBondContact O-N 2.83Å; S596-C598 VanDerWaalsContact C-N 3.26Å; S596-C598 PolarHBondContact O-N 3.43Å; S596-C598 VanDerWaalsContact O-N 3.14Å
597	Q	92.2	Very high	92.6	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.014	33%	0.329	C	S	.	.	S	Bend	trans	-48.1	-44.1	178.5	-66.4	-171.8	-0.8	0	0	113.7	H534 A535 L588 D589 E592 P593	H534-Q597 HydrophobicContact CB-CB 4.39Å; H534-Q597 HydrophobicContact CB-CG 4.48Å; H534-Q597 VanDerWaalsContact CB-OE1 3.29Å; A535-Q597 PolarHBondContact O-NE2 3.13Å; A535-Q597 PolarHBondContact O-OE1 3.39Å; L588-Q597 WeakPolarHBondContact CA-O 3.39Å; D589-Q597 PolarHBondContact N-O 3.45Å; D589-Q597 WeakPolarHBondContact O-CA 3.46Å; D589-Q597 WeakPolarHBondContact O-CG 3.17Å; E592-Q597 HydrophobicContact CB-CG 4.37Å; E592-Q597 WeakPolarHBondContact O-CG 3.19Å; E592-Q597 PolarHBondContact O-NE2 2.99Å; P593-Q597 PolarHBondContact O-N 2.97Å
598	C	94.9	Very high	92.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.311	C	S	.	.			trans	-113.7	134.6	175.3	-161	0	0	0	0	112.2	R532 A533 L588 S596 Q600	R532-C598 HydrophobicContact CB-CB 4.22Å; R532-C598 WeakPolarHBondContact CD-O 3.36Å; A533-C598 HydrophobicContact CB-CB 4.25Å; A533-C598 WeakPolarHBondContact O-CB 3.36Å; L588-C598 HydrophobicContact CD2-CB 3.36Å; S596-C598 VanDerWaalsContact C-N 3.26Å; S596-C598 PolarHBondContact O-N 3.43Å; S596-C598 VanDerWaalsContact O-N 3.14Å; C598-Q600 PolarHBondContact SG-N 3.2Å; C598-Q600 VanDerWaalsContact SG-N 3.37Å; C598-Q600 PolarHBondContact SG-O 3.06Å; C598-Q600 VanDerWaalsContact SG-O 3.39Å
599	V	90.5	Very high	92.8	Very high	110 Å²	110	60.6 Å²	60.6	67%	0.667	33%	0.327	S	S	*	.	S	Bend	trans	-87.5	-21.4	169.5	-60.3	0	0	0	0	113	R532	R532-V599 PolarHBondContact NE-O 3.39Å
600	Q	92.3	Very high	93	Very high	76 Å²	76	56.9 Å²	56.9	36%	0.355	31%	0.307	S	S	.	.	S	Bend	trans	-92.8	151.2	-174.1	-52.9	-171.9	13.9	0	0	111.3	R532 C598	R532-Q600 WeakPolarHBondContact CD-O 3.44Å; C598-Q600 PolarHBondContact SG-N 3.2Å; C598-Q600 VanDerWaalsContact SG-N 3.37Å; C598-Q600 PolarHBondContact SG-O 3.06Å; C598-Q600 VanDerWaalsContact SG-O 3.39Å
601	W	96.1	Very high	93.4	Very high	76 Å²	76	59.4 Å²	59.4	29%	0.288	31%	0.314	S	S	.	.			trans	-98.4	127.6	164.4	175.8	-101.2	0	0	0	108.3	R530 R532 D603 Q637 K639	R530-W601 HydrophobicContact CB-CE3 3.99Å; R530-W601 HydrophobicContact CB-CH2 3.94Å; R530-W601 HydrophobicContact CB-CZ3 3.5Å; R530-W601 VanDerWaalsContact CB-CZ3 3.5Å; R530-W601 HydrophobicContact CG-CE3 4.22Å; R530-W601 HydrophobicContact CG-CH2 3.69Å; R530-W601 HydrophobicContact CG-CZ2 4.13Å; R530-W601 HydrophobicContact CG-CZ3 3.74Å; R532-W601 HydrophobicContact CG-CE3 4.42Å; W601-D603 PolarHBondContact O-N 2.94Å; W601-Q637 HydrophobicContact CE3-CG 3.93Å; W601-Q637 VanDerWaalsContact CE3-OE1 3.24Å; W601-Q637 HydrophobicContact CH2-CG 3.66Å; W601-Q637 VanDerWaalsContact CH2-NE2 3.34Å; W601-Q637 HydrophobicContact CZ3-CG 3.3Å; W601-K639 HydrophobicContact CH2-CB 3.91Å; W601-K639 HydrophobicContact CZ2-CB 4.18Å
602	V	97.4	Very high	93.8	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	32%	0.32	C	S	.	.			trans	-82.3	114.1	176.4	-175.5	0	0	0	0	108.7	A533 F574 L586 K606 L607 Q637	A533-V602 HydrophobicContact CB-CG2 4.22Å; F574-V602 HydrophobicContact CZ-CG1 4.19Å; L586-V602 HydrophobicContact CD1-CG2 3.75Å; L586-V602 HydrophobicContact CD2-CG2 3.8Å; L586-V602 HydrophobicContact CG-CG2 4.46Å; V602-K606 HydrophobicContact CG1-CB 4.26Å; V602-K606 HydrophobicContact CG1-CG 4.08Å; V602-L607 HydrophobicContact CG1-CD2 3.65Å; V602-L607 HydrophobicContact CG1-CG 3.84Å; V602-Q637 PolarHBondContact O-NE2 2.92Å
603	D	96.4	Very high	94.2	Very high	80 Å²	80	62.3 Å²	62.3	43%	0.428	32%	0.32	S	S	.	.			trans	-105.5	177.8	175.6	76	-4.5	0	0	0	112.3	W601 A605 K606 L607	W601-D603 PolarHBondContact O-N 2.94Å; D603-A605 PolarHBondContact O-N 2.95Å; D603-A605 WeakPolarHBondContact OD1-CB 3.41Å; D603-A605 PolarHBondContact OD1-N 3.24Å; D603-K606 PolarHBondContact O-N 3.16Å; D603-K606 WeakPolarHBondContact OD1-CB 3.31Å; D603-K606 PolarHBondContact OD1-N 2.88Å; D603-L607 WeakPolarHBondContact O-CG 3.46Å; D603-L607 PolarHBondContact O-N 2.83Å
604	E	95.9	Very high	94.7	Very high	89 Å²	89	61.6 Å²	61.6	42%	0.416	32%	0.324	S	S	.	.	H	α-helix	trans	-55.5	-34.9	178	-150.1	94.3	-133.7	0	0	112.6	N608 R619	E604-N608 WeakPolarHBondContact O-CB 3.43Å; E604-N608 PolarHBondContact O-N 2.91Å; E604-N608 PolarHBondContact O-ND2 2.82Å; E604-R619 IonicContact OE1-NH1 2.64Å; E604-R619 PolarHBondContact OE1-NH1 2.81Å; E604-R619 IonicContact OE2-CZ 2.85Å; E604-R619 IonicContact OE2-NH1 2.79Å; E604-R619 PolarHBondContact OE2-NH1 3.38Å
605	A	97.2	Very high	95.3	Very high	64 Å²	64	59.6 Å²	59.6	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-71.9	-43.5	-178.8	0	0	0	0	0	111.1	D603 N608 Q609	D603-A605 PolarHBondContact O-N 2.95Å; D603-A605 WeakPolarHBondContact OD1-CB 3.41Å; D603-A605 PolarHBondContact OD1-N 3.24Å; A605-N608 PolarHBondContact O-N 3.33Å; A605-Q609 PolarHBondContact O-N 3.28Å
606	K	97.5	Very high	95.9	Very high	36 Å²	36	57.1 Å²	57.1	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-41.5	174.5	-177.1	60.1	172.4	-179.8	0	111.7	R585 L586 V602 D603 N608 Q609 M610	R585-K606 PolarHBondContact O-NZ 3.04Å; L586-K606 VanDerWaalsContact CD2-CE 3.49Å; L586-K606 HydrophobicContact CD2-CG 4.46Å; V602-K606 HydrophobicContact CG1-CB 4.26Å; V602-K606 HydrophobicContact CG1-CG 4.08Å; D603-K606 PolarHBondContact O-N 3.16Å; D603-K606 WeakPolarHBondContact OD1-CB 3.31Å; D603-K606 PolarHBondContact OD1-N 2.88Å; K606-N608 PolarHBondContact O-N 3.28Å; K606-Q609 WeakPolarHBondContact O-CB 3.49Å; K606-Q609 PolarHBondContact O-N 2.82Å; K606-M610 HydrophobicContact CD-CG 4.33Å; K606-M610 HydrophobicContact CD-SD 4.14Å; K606-M610 HydrophobicContact CG-SD 3.93Å; K606-M610 WeakPolarHBondContact O-CG 3.34Å; K606-M610 PolarHBondContact O-N 3.35Å
607	L	98.1	Very high	96.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-47.8	172.6	-73.3	179.2	0	0	0	112.1	I572 F574 V602 D603 Q609 M610 R611 Y617	I572-L607 HydrophobicContact CD1-CD1 3.79Å; I572-L607 HydrophobicContact CD1-CD2 4.48Å; I572-L607 HydrophobicContact CD1-CG 4.43Å; I572-L607 HydrophobicContact CG1-CD1 4.14Å; I572-L607 HydrophobicContact CG2-CD2 3.91Å; F574-L607 HydrophobicContact CE1-CD2 4.05Å; F574-L607 HydrophobicContact CZ-CD2 3.95Å; V602-L607 HydrophobicContact CG1-CD2 3.65Å; V602-L607 HydrophobicContact CG1-CG 3.84Å; D603-L607 WeakPolarHBondContact O-CG 3.46Å; D603-L607 PolarHBondContact O-N 2.83Å; L607-Q609 VanDerWaalsContact C-N 3.28Å; L607-Q609 PolarHBondContact O-N 2.92Å; L607-M610 PolarHBondContact O-N 2.89Å; L607-R611 WeakPolarHBondContact O-CB 3.17Å; L607-R611 PolarHBondContact O-N 3.05Å; L607-Y617 HydrophobicContact CB-CD1 4.49Å; L607-Y617 HydrophobicContact CB-CE1 3.82Å; L607-Y617 HydrophobicContact CB-CE2 4.32Å; L607-Y617 HydrophobicContact CD1-CD2 4.21Å; L607-Y617 HydrophobicContact CD1-CE2 3.8Å; L607-Y617 HydrophobicContact CD2-CD1 3.89Å; L607-Y617 HydrophobicContact CD2-CD2 3.96Å; L607-Y617 HydrophobicContact CD2-CE1 4.06Å; L607-Y617 HydrophobicContact CD2-CE2 4.18Å; L607-Y617 HydrophobicContact CD2-CG 3.84Å; L607-Y617 HydrophobicContact CG-CE1 4.4Å; L607-Y617 HydrophobicContact CG-CE2 4.33Å
608	N	97.9	Very high	96.7	Very high	59 Å²	59	55 Å²	55	32%	0.316	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-29.1	176.8	-79.6	-61.5	0	0	0	112.8	E604 A605 K606 R612	E604-N608 WeakPolarHBondContact O-CB 3.43Å; E604-N608 PolarHBondContact O-N 2.91Å; E604-N608 PolarHBondContact O-ND2 2.82Å; A605-N608 PolarHBondContact O-N 3.33Å; K606-N608 PolarHBondContact O-N 3.28Å; N608-R612 VanDerWaalsContact C-NH1 3.3Å; N608-R612 WeakPolarHBondContact O-CG 3.26Å; N608-R612 PolarHBondContact O-NH1 3.41Å
609	Q	97.5	Very high	96.9	Very high	85 Å²	85	58.6 Å²	58.6	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-57.1	169.5	-176.1	-166.1	-24.3	0	0	110.3	A605 K606 L607 R611 R612 E613	A605-Q609 PolarHBondContact O-N 3.28Å; K606-Q609 WeakPolarHBondContact O-CB 3.49Å; K606-Q609 PolarHBondContact O-N 2.82Å; L607-Q609 VanDerWaalsContact C-N 3.28Å; L607-Q609 PolarHBondContact O-N 2.92Å; Q609-R611 PolarHBondContact O-N 3.26Å; Q609-R612 WeakPolarHBondContact O-CB 3.29Å; Q609-R612 PolarHBondContact O-N 3.39Å; Q609-E613 WeakPolarHBondContact CG-OE1 3.46Å; Q609-E613 PolarHBondContact NE2-OE1 3.19Å; Q609-E613 PolarHBondContact O-N 2.93Å
610	M	97.6	Very high	97.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-34.4	-177	-69.4	171	71.9	0	0	112	F574 V582 L586 K606 L607 R612 E613 G614 I615	F574-M610 HydrophobicContact CD1-CE 4.17Å; F574-M610 HydrophobicContact CE1-CE 3.41Å; F574-M610 VanDerWaalsContact CE1-CE 3.41Å; F574-M610 HydrophobicContact CE1-SD 4.13Å; F574-M610 HydrophobicContact CZ-CE 3.64Å; F574-M610 HydrophobicContact CZ-SD 4.1Å; V582-M610 HydrophobicContact CB-CE 4.38Å; V582-M610 HydrophobicContact CG1-CE 4.09Å; V582-M610 HydrophobicContact CG2-CE 3.9Å; L586-M610 HydrophobicContact CD2-CE 4.28Å; L586-M610 HydrophobicContact CD2-SD 3.94Å; L586-M610 HydrophobicContact CG-CE 4.26Å; K606-M610 HydrophobicContact CD-CG 4.33Å; K606-M610 HydrophobicContact CD-SD 4.14Å; K606-M610 HydrophobicContact CG-SD 3.93Å; K606-M610 WeakPolarHBondContact O-CG 3.34Å; K606-M610 PolarHBondContact O-N 3.35Å; L607-M610 PolarHBondContact O-N 2.89Å; M610-R612 VanDerWaalsContact C-N 3.35Å; M610-R612 PolarHBondContact O-N 2.72Å; M610-E613 CarbonylContact O-C 3.15Å; M610-E613 WeakPolarHBondContact O-CA 3.24Å; M610-E613 WeakPolarHBondContact O-CB 3.46Å; M610-E613 PolarHBondContact O-N 2.99Å; M610-G614 PolarHBondContact O-N 3.19Å; M610-I615 HydrophobicContact CB-CB 4.23Å; M610-I615 HydrophobicContact CB-CD1 4.13Å; M610-I615 HydrophobicContact CE-CD1 3.81Å; M610-I615 HydrophobicContact CE-CG2 4.29Å; M610-I615 HydrophobicContact CG-CD1 4.37Å; M610-I615 PolarHBondContact O-N 3.39Å; M610-I615 VanDerWaalsContact O-N 3.17Å
611	R	97.8	Very high	97.4	Very high	89 Å²	89	55 Å²	55	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-63.9	-35.2	175.1	-169.4	54.6	175.8	147.2	-0.9	114	N319 G320 L607 Q609 E613 G614 I615 Y617	N319-R611 WeakPolarHBondContact O-CG 3.19Å; N319-R611 PolarHBondContact O-NE 3.5Å; N319-R611 VanDerWaalsContact O-NE 3.14Å; G320-R611 PolarHBondContact O-NE 2.85Å; G320-R611 VanDerWaalsContact O-NE 3.12Å; G320-R611 PolarHBondContact O-NH1 3.1Å; L607-R611 WeakPolarHBondContact O-CB 3.17Å; L607-R611 PolarHBondContact O-N 3.05Å; Q609-R611 PolarHBondContact O-N 3.26Å; R611-E613 PolarHBondContact O-N 3.28Å; R611-G614 PolarHBondContact O-N 2.91Å; R611-I615 WeakPolarHBondContact CD-O 3.15Å; R611-Y617 HydrophobicContact CB-CE1 4.18Å
612	R	97.5	Very high	97.5	Very high	198 Å²	198	51.4 Å²	51.4	75%	0.747	25%	0.25	S	S	*	.	H	α-helix	trans	-70.2	-21.8	173.7	-64.5	175.7	-169.9	104.3	-5.2	112.4	N608 Q609 M610 G614	N608-R612 VanDerWaalsContact C-NH1 3.3Å; N608-R612 WeakPolarHBondContact O-CG 3.26Å; N608-R612 PolarHBondContact O-NH1 3.41Å; Q609-R612 WeakPolarHBondContact O-CB 3.29Å; Q609-R612 PolarHBondContact O-N 3.39Å; M610-R612 VanDerWaalsContact C-N 3.35Å; M610-R612 PolarHBondContact O-N 2.72Å; R612-G614 VanDerWaalsContact C-N 3.28Å
613	E	96.4	Very high	97.4	Very high	79 Å²	79	52.3 Å²	52.3	37%	0.369	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	6.1	175.3	-60.1	171.6	-163	0	0	112.4	R585 Q609 M610 R611	R585-E613 WeakPolarHBondContact CD-OE2 3.41Å; R585-E613 IonicContact CZ-OE2 3.91Å; R585-E613 IonicContact NE-OE2 3.49Å; R585-E613 PolarHBondContact NE-OE2 2.99Å; Q609-E613 WeakPolarHBondContact CG-OE1 3.46Å; Q609-E613 PolarHBondContact NE2-OE1 3.19Å; Q609-E613 PolarHBondContact O-N 2.93Å; M610-E613 CarbonylContact O-C 3.15Å; M610-E613 WeakPolarHBondContact O-CA 3.24Å; M610-E613 WeakPolarHBondContact O-CB 3.46Å; M610-E613 PolarHBondContact O-N 2.99Å; R611-E613 PolarHBondContact O-N 3.28Å
614	G	96.9	Very high	97.4	Very high	48 Å²	48	49 Å²	49	50%	0.495	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	-18.3	175.5	0	0	0	0	0	115.2	M610 R611 R612 R616	M610-G614 PolarHBondContact O-N 3.19Å; R611-G614 PolarHBondContact O-N 2.91Å; R612-G614 VanDerWaalsContact C-N 3.28Å; G614-R616 PolarHBondContact O-N 3.36Å
615	I	98.3	Very high	97.5	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	23%	0.226	C	C	.	.			trans	-64.3	135.1	-172.9	-63.9	169.9	0	0	0	111.2	F574 D578 D581 V582 R585 M610 R611	F574-I615 HydrophobicContact CD1-CG2 3.7Å; F574-I615 HydrophobicContact CE1-CG2 4.13Å; D578-I615 HydrophobicContact CB-CG2 4.18Å; D581-I615 HydrophobicContact CB-CD1 4.15Å; D581-I615 HydrophobicContact CB-CG1 4.3Å; V582-I615 HydrophobicContact CG2-CD1 4.08Å; V582-I615 HydrophobicContact CG2-CG2 3.71Å; R585-I615 VanDerWaalsContact CD-CD1 3.44Å; M610-I615 HydrophobicContact CB-CB 4.23Å; M610-I615 HydrophobicContact CB-CD1 4.13Å; M610-I615 HydrophobicContact CE-CD1 3.81Å; M610-I615 HydrophobicContact CE-CG2 4.29Å; M610-I615 HydrophobicContact CG-CD1 4.37Å; M610-I615 PolarHBondContact O-N 3.39Å; M610-I615 VanDerWaalsContact O-N 3.17Å; R611-I615 WeakPolarHBondContact CD-O 3.15Å
616	R	98.5	Very high	97.5	Very high	59 Å²	59	43.2 Å²	43.2	22%	0.223	20%	0.201	C	C	.	.			trans	-94.5	142.2	173.2	-64.3	160.7	-73.2	-171.2	-14.3	111.5	G320 A322 H575 E577 D578 G614	G320-R616 WeakPolarHBondContact O-CA 3.25Å; A322-R616 HydrophobicContact CB-CB 4.17Å; H575-R616 HydrophobicContact CB-CB 3.72Å; H575-R616 PolarHBondContact CE1-NH1 3Å; H575-R616 PolarHBondContact N-O 3.18Å; H575-R616 VanDerWaalsContact N-O 3.11Å; H575-R616 PolarHBondContact ND1-NH1 3.03Å; H575-R616 PolarHBondContact ND1-NH2 3.38Å; H575-R616 PolarHBondContact NE2-NH1 2.93Å; E577-R616 IonicContact OE2-CZ 3.69Å; E577-R616 VanDerWaalsContact OE2-CZ 3.28Å; E577-R616 IonicContact OE2-NH1 2.76Å; E577-R616 PolarHBondContact OE2-NH1 3.12Å; E577-R616 IonicContact OE2-NH2 2.83Å; E577-R616 PolarHBondContact OE2-NH2 2.71Å; D578-R616 IonicContact OD1-CZ 2.79Å; D578-R616 IonicContact OD1-NE 2.74Å; D578-R616 IonicContact OD1-NH2 3.28Å; D578-R616 PolarHBondContact OD1-NH2 3.37Å; D578-R616 VanDerWaalsContact OD2-CB 3.31Å; D578-R616 WeakPolarHBondContact OD2-CB 3.35Å; D578-R616 IonicContact OD2-CZ 3.3Å; D578-R616 PolarHBondContact OD2-N 3.25Å; D578-R616 IonicContact OD2-NE 3.8Å; D578-R616 PolarHBondContact OD2-NE 3.25Å; D578-R616 IonicContact OD2-NH2 2.77Å; G614-R616 PolarHBondContact O-N 3.36Å
617	Y	98.6	Very high	97.6	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159.6	170.9	67.4	-92.2	0	0	0	110.8	G320 G321 A322 C573 L607 R611 R619	G320-Y617 CarbonylContact C-O 3.59Å; G320-Y617 VanDerWaalsContact CA-CE1 3.41Å; G320-Y617 WeakPolarHBondContact CA-O 3.23Å; G320-Y617 PolarHBondContact O-N 3.1Å; G321-Y617 PolarHBondContact N-O 3.45Å; A322-Y617 WeakPolarHBondContact CB-O 2.98Å; A322-Y617 PolarHBondContact N-O 2.99Å; C573-Y617 CarbonylContact O-C 3.49Å; C573-Y617 VanDerWaalsContact O-CA 3.22Å; C573-Y617 WeakPolarHBondContact O-CA 3.37Å; L607-Y617 HydrophobicContact CB-CD1 4.49Å; L607-Y617 HydrophobicContact CB-CE1 3.82Å; L607-Y617 HydrophobicContact CB-CE2 4.32Å; L607-Y617 HydrophobicContact CD1-CD2 4.21Å; L607-Y617 HydrophobicContact CD1-CE2 3.8Å; L607-Y617 HydrophobicContact CD2-CD1 3.89Å; L607-Y617 HydrophobicContact CD2-CD2 3.96Å; L607-Y617 HydrophobicContact CD2-CE1 4.06Å; L607-Y617 HydrophobicContact CD2-CE2 4.18Å; L607-Y617 HydrophobicContact CD2-CG 3.84Å; L607-Y617 HydrophobicContact CG-CE1 4.4Å; L607-Y617 HydrophobicContact CG-CE2 4.33Å; R611-Y617 HydrophobicContact CB-CE1 4.18Å; Y617-R619 HydrophobicContact CE2-CB 4.47Å
618	A	98.3	Very high	97.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.1	161.7	0	0	0	0	0	108.8	Q317 A322 V324 I572 C573 I620	Q317-A618 HydrophobicContact CB-CB 4.11Å; Q317-A618 HydrophobicContact CG-CB 4.23Å; A322-A618 HydrophobicContact CB-CB 4.18Å; V324-A618 HydrophobicContact CG2-CB 3.42Å; V324-A618 VanDerWaalsContact CG2-CB 3.42Å; I572-A618 WeakPolarHBondContact CA-O 3.08Å; C573-A618 PolarHBondContact N-O 3.24Å; C573-A618 PolarHBondContact O-N 3.14Å; A618-I620 HydrophobicContact CB-CD1 4.28Å; A618-I620 HydrophobicContact CB-CG1 4.09Å
619	R	97.4	Very high	97.7	Very high	77 Å²	77	39 Å²	39	29%	0.291	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.9	167	-179.4	-169.9	176	-178.7	6.3	108	D570 V571 I572 E604 Y617	D570-R619 WeakPolarHBondContact OD1-CG 3.33Å; D570-R619 IonicContact OD1-CZ 3.02Å; D570-R619 IonicContact OD1-NE 3.51Å; D570-R619 PolarHBondContact OD1-NE 3.2Å; D570-R619 IonicContact OD1-NH2 3.64Å; D570-R619 IonicContact OD2-CZ 3.31Å; D570-R619 IonicContact OD2-NE 3.68Å; D570-R619 PolarHBondContact OD2-NE 3.34Å; D570-R619 IonicContact OD2-NH2 2.89Å; D570-R619 PolarHBondContact OD2-NH2 3.4Å; V571-R619 CarbonylContact O-C 3.54Å; V571-R619 WeakPolarHBondContact O-CA 3.35Å; I572-R619 HydrophobicContact CG1-CB 4.39Å; I572-R619 HydrophobicContact CG1-CG 4.2Å; E604-R619 IonicContact OE1-NH1 2.64Å; E604-R619 PolarHBondContact OE1-NH1 2.81Å; E604-R619 IonicContact OE2-CZ 2.85Å; E604-R619 IonicContact OE2-NH1 2.79Å; E604-R619 PolarHBondContact OE2-NH1 3.38Å; Y617-R619 HydrophobicContact CE2-CB 4.47Å
620	I	96.7	Very high	97.7	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.046	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.6	-168.4	-51.1	-63.8	0	0	0	110.4	E315 Q317 V324 L364 I366 V571 A618	E315-I620 VanDerWaalsContact OE2-CD1 3.26Å; E315-I620 WeakPolarHBondContact OE2-CD1 3.22Å; Q317-I620 HydrophobicContact CG-CD1 4.48Å; V324-I620 HydrophobicContact CB-CD1 4.36Å; V324-I620 HydrophobicContact CG1-CD1 4.36Å; V324-I620 HydrophobicContact CG1-CG1 4.33Å; V324-I620 HydrophobicContact CG2-CD1 3.91Å; V324-I620 HydrophobicContact CG2-CG1 3.96Å; L364-I620 HydrophobicContact CD2-CB 4.19Å; L364-I620 HydrophobicContact CD2-CG1 4.19Å; L364-I620 HydrophobicContact CD2-CG2 4.46Å; I366-I620 HydrophobicContact CD1-CG2 3.55Å; V571-I620 PolarHBondContact N-O 2.77Å; V571-I620 PolarHBondContact O-N 3.31Å; A618-I620 HydrophobicContact CB-CD1 4.28Å; A618-I620 HydrophobicContact CB-CG1 4.09Å
621	Q	97	Very high	97.7	Very high	102 Å²	102	35.2 Å²	35.2	48%	0.477	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.4	171.8	-73.1	-178.7	-19.1	0	0	109.3	I567 K569	I567-Q621 HydrophobicContact CG2-CB 3.82Å; I567-Q621 HydrophobicContact CG2-CG 4.08Å; K569-Q621 WeakPolarHBondContact O-CA 3.34Å
622	L	97.9	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.1	172.7	-59.8	-178.5	0	0	0	110.1	L364 I366 L553 T568 K569 V571 Y628 F638	L364-L622 HydrophobicContact CD2-CD2 4.39Å; I366-L622 HydrophobicContact CD1-CD2 3.4Å; I366-L622 HydrophobicContact CG1-CD2 3.73Å; I366-L622 HydrophobicContact CG2-CD2 4.19Å; L553-L622 HydrophobicContact CD1-CB 3.56Å; L553-L622 HydrophobicContact CD1-CD1 3.92Å; L553-L622 HydrophobicContact CD1-CG 4.4Å; T568-L622 PolarHBondContact N-O 2.98Å; T568-L622 PolarHBondContact OG1-O 3.11Å; K569-L622 HydrophobicContact CB-CB 4.37Å; K569-L622 PolarHBondContact N-O 3.41Å; K569-L622 VanDerWaalsContact N-O 3.15Å; K569-L622 PolarHBondContact O-N 3.03Å; V571-L622 HydrophobicContact CG2-CD1 3.67Å; V571-L622 HydrophobicContact CG2-CG 3.76Å; L622-Y628 HydrophobicContact CD1-CD1 3.62Å; L622-Y628 HydrophobicContact CD1-CD2 4.39Å; L622-Y628 HydrophobicContact CD1-CE1 4.02Å; L622-Y628 HydrophobicContact CD1-CG 3.81Å; L622-F638 HydrophobicContact CD1-CE1 4.2Å
623	C	96.3	Very high	97.6	Very high	20 Å²	20	25.3 Å²	25.3	14%	0.135	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	173	-172	-72.5	0	0	0	0	113	P565 R566 D626	P565-C623 HydrophobicContact CB-CB 4.19Å; R566-C623 CarbonylContact O-C 3.59Å; R566-C623 WeakPolarHBondContact O-CA 3.48Å; C623-D626 WeakPolarHBondContact CB-OD2 3.29Å; C623-D626 PolarHBondContact N-OD2 3.46Å; C623-D626 WeakPolarHBondContact O-CB 3.37Å; C623-D626 PolarHBondContact O-N 3Å
624	D	96.3	Very high	97.6	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.059	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.1	165.4	-174.5	33.9	0	0	0	110.8	K554 A555 Q557 R566 D626	K554-D624 WeakPolarHBondContact CA-OD1 3.39Å; A555-D624 HydrophobicContact CB-CB 3.77Å; A555-D624 PolarHBondContact N-OD1 2.88Å; Q557-D624 PolarHBondContact NE2-OD2 3.38Å; R566-D624 HydrophobicContact CB-CB 4.42Å; R566-D624 PolarHBondContact O-N 3.14Å; D624-D626 PolarHBondContact O-N 3.17Å
625	N	97.2	Very high	97.7	Very high	27 Å²	27	19.4 Å²	19.4	14%	0.144	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	9.1	-177.7	-47.5	-71.2	0	0	0	115.7	G369 A370 A371 A372 L553 K554	G369-N625 CarbonylContact C-O 3.57Å; G369-N625 VanDerWaalsContact CA-O 3.25Å; G369-N625 WeakPolarHBondContact CA-O 3.38Å; G369-N625 PolarHBondContact N-O 3.13Å; A370-N625 PolarHBondContact N-O 2.93Å; A371-N625 WeakPolarHBondContact CB-O 3.48Å; A371-N625 PolarHBondContact N-O 3.4Å; A372-N625 WeakPolarHBondContact CA-OD1 3.27Å; A372-N625 HydrophobicContact CB-CB 4.2Å; L553-N625 VanDerWaalsContact O-CA 3.3Å; L553-N625 WeakPolarHBondContact O-CA 3.28Å; L553-N625 PolarHBondContact O-N 3.23Å; K554-N625 WeakPolarHBondContact CE-OD1 3.49Å; K554-N625 PolarHBondContact NZ-OD1 2.88Å
626	D	98.5	Very high	97.7	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	9%	0.088	C	C	.	.			trans	-75.2	140.1	173.8	-72.4	-1.9	0	0	0	111.7	I366 H368 G369 L553 C623 D624	I366-D626 HydrophobicContact CG2-CB 4.16Å; H368-D626 VanDerWaalsContact CA-OD1 3.23Å; H368-D626 WeakPolarHBondContact CA-OD1 3.46Å; H368-D626 IonicContact CE1-OD2 3.65Å; H368-D626 IonicContact CG-OD1 2.77Å; H368-D626 VanDerWaalsContact ND1-CG 3.32Å; H368-D626 IonicContact ND1-OD1 3.09Å; H368-D626 PolarHBondContact ND1-OD1 3.12Å; H368-D626 IonicContact ND1-OD2 3.19Å; H368-D626 PolarHBondContact ND1-OD2 3.04Å; G369-D626 PolarHBondContact N-OD1 3.14Å; L553-D626 PolarHBondContact N-O 3.37Å; C623-D626 WeakPolarHBondContact CB-OD2 3.29Å; C623-D626 PolarHBondContact N-OD2 3.46Å; C623-D626 WeakPolarHBondContact O-CB 3.37Å; C623-D626 PolarHBondContact O-N 3Å; D624-D626 PolarHBondContact O-N 3.17Å
627	I	98.8	Very high	97.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.1	163.1	-57.4	176.7	0	0	0	107.2	I366 V367 A370 A371 L456 V550 G551 V552 F629	I366-I627 WeakPolarHBondContact CA-O 3.37Å; V367-I627 PolarHBondContact N-O 3.12Å; V367-I627 PolarHBondContact O-N 3.22Å; A370-I627 HydrophobicContact CB-CB 4.44Å; A370-I627 HydrophobicContact CB-CD1 3.57Å; A370-I627 HydrophobicContact CB-CG1 3.94Å; A371-I627 HydrophobicContact CB-CD1 4.36Å; A371-I627 HydrophobicContact CB-CG1 3.94Å; L456-I627 HydrophobicContact CD1-CD1 4.1Å; L456-I627 HydrophobicContact CD2-CD1 3.89Å; L456-I627 HydrophobicContact CD2-CG1 4.44Å; L456-I627 HydrophobicContact CD2-CG2 3.59Å; L456-I627 HydrophobicContact CG-CD1 3.95Å; V550-I627 HydrophobicContact CG1-CG2 4.42Å; G551-I627 WeakPolarHBondContact O-CA 3.34Å; V552-I627 HydrophobicContact CG1-CG1 4.32Å; V552-I627 HydrophobicContact CG2-CG1 4.32Å; V552-I627 HydrophobicContact CG2-CG2 4.46Å; I627-F629 HydrophobicContact CG2-CE1 4.18Å; I627-F629 HydrophobicContact CG2-CE2 3.82Å; I627-F629 HydrophobicContact CG2-CZ 3.47Å; I627-F629 VanDerWaalsContact CG2-CZ 3.47Å
628	Y	98.8	Very high	97.6	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.035	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.2	-179.5	68.6	-89.5	0	0	0	112.5	L364 A365 V550 G551 L553 L622 I630 F638	L364-Y628 HydrophobicContact CD1-CD2 4.25Å; A365-Y628 CarbonylContact O-C 3.55Å; A365-Y628 VanDerWaalsContact O-CA 3.28Å; A365-Y628 WeakPolarHBondContact O-CA 3.23Å; V550-Y628 WeakPolarHBondContact CA-O 3.12Å; G551-Y628 PolarHBondContact N-O 3.45Å; G551-Y628 WeakPolarHBondContact O-CD1 3.25Å; G551-Y628 PolarHBondContact O-N 3.46Å; L553-Y628 HydrophobicContact CD1-CD1 4.28Å; L553-Y628 HydrophobicContact CD1-CE1 4.14Å; L553-Y628 HydrophobicContact CD2-CE1 3.85Å; L553-Y628 HydrophobicContact CG-CD1 4.19Å; L553-Y628 HydrophobicContact CG-CE1 3.88Å; L622-Y628 HydrophobicContact CD1-CD1 3.62Å; L622-Y628 HydrophobicContact CD1-CD2 4.39Å; L622-Y628 HydrophobicContact CD1-CE1 4.02Å; L622-Y628 HydrophobicContact CD1-CG 3.81Å; Y628-I630 HydrophobicContact CD2-CD1 4.15Å; Y628-I630 HydrophobicContact CD2-CG1 4.11Å; Y628-I630 HydrophobicContact CE2-CD1 3.89Å; Y628-I630 HydrophobicContact CE2-CG1 4.32Å; Y628-F638 HydrophobicContact CE2-CE1 4.27Å; Y628-F638 AromaticContact CE2-CZ 3.7Å; Y628-F638 HydrophobicContact CE2-CZ 3.7Å; Y628-F638 AromaticContact CZ-CZ 3.86Å
629	F	98.8	Very high	97.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.8	-177	-50.2	-90.3	0	0	0	109.5	F347 L348 T351 F352 A365 V367 F455 T459 V550 I627	F347-F629 HydrophobicContact CE1-CD2 4.38Å; F347-F629 HydrophobicContact CE1-CE2 4.34Å; L348-F629 HydrophobicContact CD2-CD1 3.89Å; L348-F629 HydrophobicContact CD2-CD2 4.44Å; L348-F629 HydrophobicContact CD2-CE1 3.68Å; L348-F629 HydrophobicContact CD2-CE2 4.27Å; L348-F629 HydrophobicContact CD2-CG 4.3Å; L348-F629 HydrophobicContact CD2-CZ 3.9Å; T351-F629 HydrophobicContact CG2-CB 3.62Å; T351-F629 HydrophobicContact CG2-CG 4.21Å; F352-F629 HydrophobicContact CE1-CB 4.26Å; F352-F629 HydrophobicContact CZ-CB 4.06Å; F352-F629 HydrophobicContact CZ-CD1 4.08Å; F352-F629 HydrophobicContact CZ-CG 4.43Å; A365-F629 HydrophobicContact CB-CB 4.35Å; A365-F629 HydrophobicContact CB-CD2 4.31Å; A365-F629 PolarHBondContact N-O 3.31Å; A365-F629 PolarHBondContact O-N 3.22Å; V367-F629 HydrophobicContact CG2-CE2 4.09Å; F455-F629 HydrophobicContact CB-CZ 3.98Å; T459-F629 HydrophobicContact CG2-CD1 4.27Å; T459-F629 HydrophobicContact CG2-CE1 3.93Å; V550-F629 HydrophobicContact CB-CD1 4.31Å; V550-F629 HydrophobicContact CG1-CD1 3.75Å; V550-F629 HydrophobicContact CG1-CE1 3.62Å; V550-F629 HydrophobicContact CG1-CZ 4.48Å; V550-F629 HydrophobicContact CG2-CD1 3.79Å; V550-F629 HydrophobicContact CG2-CE1 4.24Å; I627-F629 HydrophobicContact CG2-CE1 4.18Å; I627-F629 HydrophobicContact CG2-CE2 3.82Å; I627-F629 HydrophobicContact CG2-CZ 3.47Å; I627-F629 VanDerWaalsContact CG2-CZ 3.47Å
630	I	98.6	Very high	97.7	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.015	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.1	178.7	-63.2	176.1	0	0	0	107	L364 A548 A549 Y628 V634 F638	L364-I630 HydrophobicContact CD1-CD1 4.44Å; L364-I630 HydrophobicContact CD1-CG1 3.66Å; A548-I630 CarbonylContact C-O 3.55Å; A548-I630 WeakPolarHBondContact CA-O 3.28Å; A548-I630 WeakPolarHBondContact CB-O 3.03Å; A549-I630 HydrophobicContact CB-CB 4.42Å; A549-I630 PolarHBondContact N-O 2.88Å; A549-I630 PolarHBondContact O-N 2.57Å; Y628-I630 HydrophobicContact CD2-CD1 4.15Å; Y628-I630 HydrophobicContact CD2-CG1 4.11Å; Y628-I630 HydrophobicContact CE2-CD1 3.89Å; Y628-I630 HydrophobicContact CE2-CG1 4.32Å; I630-V634 HydrophobicContact CG2-CB 3.79Å; I630-V634 HydrophobicContact CG2-CG1 3.86Å; I630-F638 HydrophobicContact CD1-CE2 4.29Å; I630-F638 HydrophobicContact CD1-CZ 3.98Å
631	P	98.1	Very high	97.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.09	C	C	.	.			trans	-63.4	161.5	173.2	-24.7	36.5	0	0	0	112.6	T351 F352 A360 V634	T351-P631 VanDerWaalsContact O-CG 3.32Å; T351-P631 WeakPolarHBondContact O-CG 3.22Å; F352-P631 HydrophobicContact CD1-CB 4.25Å; F352-P631 HydrophobicContact CD1-CG 4.17Å; A360-P631 HydrophobicContact CB-CB 3.4Å; A360-P631 VanDerWaalsContact CB-CB 3.4Å; A360-P631 HydrophobicContact CB-CG 3.9Å; P631-V634 HydrophobicContact CB-CG2 4.34Å; P631-V634 WeakPolarHBondContact O-CB 3.31Å; P631-V634 WeakPolarHBondContact O-CG2 3.41Å; P631-V634 PolarHBondContact O-N 2.98Å
632	R	95.9	Very high	97.7	Very high	38 Å²	38	14.1 Å²	14.1	14%	0.143	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	159	174.5	73.2	175.1	171.5	179.8	-4.1	112.1	E354 S546 T547 V634 Y656	E354-R632 WeakPolarHBondContact OE1-CG 3.42Å; E354-R632 IonicContact OE1-CZ 3.2Å; E354-R632 IonicContact OE1-NE 3.53Å; E354-R632 PolarHBondContact OE1-NE 3.36Å; E354-R632 IonicContact OE1-NH2 2.75Å; E354-R632 PolarHBondContact OE1-NH2 2.68Å; E354-R632 IonicContact OE2-CZ 3.95Å; E354-R632 IonicContact OE2-NE 3.82Å; E354-R632 IonicContact OE2-NH2 3.65Å; E354-R632 PolarHBondContact OE2-NH2 3.4Å; S546-R632 WeakPolarHBondContact O-CB 3.4Å; T547-R632 WeakPolarHBondContact O-CA 3.45Å; R632-V634 PolarHBondContact O-N 2.86Å; R632-V634 VanDerWaalsContact O-N 3.15Å; R632-Y656 HydrophobicContact CB-CD2 4.49Å; R632-Y656 HydrophobicContact CB-CE2 3.77Å; R632-Y656 HydrophobicContact CG-CD2 4.24Å; R632-Y656 HydrophobicContact CG-CE1 4.1Å; R632-Y656 HydrophobicContact CG-CE2 3.65Å; R632-Y656 PolarHBondContact N-OH 2.87Å
633	N	95.9	Very high	97.7	Very high	41 Å²	41	14.1 Å²	14.1	22%	0.219	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	11.1	-177.4	-53.5	-35.8	0	0	0	114.4	S546 A576 F579	S546-N633 VanDerWaalsContact CB-OD1 3.29Å; S546-N633 WeakPolarHBondContact CB-OD1 3.24Å; S546-N633 PolarHBondContact OG-N 3.33Å; A576-N633 WeakPolarHBondContact CA-O 3.37Å; A576-N633 HydrophobicContact CB-CB 4.2Å; F579-N633 HydrophobicContact CB-CB 4.34Å; F579-N633 HydrophobicContact CD2-CB 4.11Å; F579-N633 WeakPolarHBondContact CD2-O 3.34Å; F579-N633 HydrophobicContact CG-CB 4.19Å
634	V	98	Very high	97.8	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.018	7%	0.067	C	C	.	.			trans	-89.8	106.9	170.1	173.7	0	0	0	0	109.6	A363 C573 A576 I630 P631 R632 H636	A363-V634 VanDerWaalsContact O-CG1 3.3Å; A363-V634 WeakPolarHBondContact O-CG1 3.25Å; C573-V634 HydrophobicContact CB-CG1 3.81Å; A576-V634 HydrophobicContact CB-CG2 4.27Å; I630-V634 HydrophobicContact CG2-CB 3.79Å; I630-V634 HydrophobicContact CG2-CG1 3.86Å; P631-V634 HydrophobicContact CB-CG2 4.34Å; P631-V634 WeakPolarHBondContact O-CB 3.31Å; P631-V634 WeakPolarHBondContact O-CG2 3.41Å; P631-V634 PolarHBondContact O-N 2.98Å; R632-V634 PolarHBondContact O-N 2.86Å; R632-V634 VanDerWaalsContact O-N 3.15Å; V634-H636 HydrophobicContact CG1-CB 4.37Å; V634-H636 PolarHBondContact O-ND1 2.71Å
635	I	98.4	Very high	97.9	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	6%	0.064	C	C	.	.			trans	-74.2	131.2	168	-68.6	155.2	0	0	0	108.3	A533 H534 A535 F574 F579 V582 V583 L588	A533-I635 HydrophobicContact CB-CG2 4.11Å; H534-I635 CarbonylContact O-C 3.5Å; H534-I635 VanDerWaalsContact O-CA 3.26Å; H534-I635 WeakPolarHBondContact O-CA 3.14Å; A535-I635 HydrophobicContact CB-CG1 3.81Å; F574-I635 HydrophobicContact CB-CB 4.46Å; F574-I635 HydrophobicContact CD2-CB 4.12Å; F574-I635 HydrophobicContact CD2-CG2 3.87Å; F574-I635 WeakPolarHBondContact CD2-O 3.48Å; F574-I635 HydrophobicContact CE2-CG2 4.4Å; F574-I635 PolarHBondContact N-O 2.85Å; F579-I635 HydrophobicContact CD2-CD1 3.48Å; F579-I635 VanDerWaalsContact CD2-CD1 3.48Å; F579-I635 HydrophobicContact CD2-CG1 3.68Å; F579-I635 HydrophobicContact CE2-CD1 3.79Å; F579-I635 HydrophobicContact CE2-CG1 3.77Å; F579-I635 HydrophobicContact CG-CD1 4.24Å; V582-I635 HydrophobicContact CB-CD1 3.8Å; V582-I635 HydrophobicContact CG1-CB 4.14Å; V582-I635 HydrophobicContact CG1-CD1 3.61Å; V582-I635 HydrophobicContact CG1-CG1 4.48Å; V582-I635 HydrophobicContact CG1-CG2 3.91Å; V583-I635 HydrophobicContact CG2-CD1 3.75Å; L588-I635 HydrophobicContact CD1-CD1 3.6Å; L588-I635 HydrophobicContact CD1-CG1 3.91Å; L588-I635 HydrophobicContact CD1-CG2 3.89Å
636	H	98.3	Very high	97.9	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.014	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.3	-173.4	61.9	-90.5	0	0	0	113.1	A533 H534 D536 I572 C573 V634 F638	A533-H636 CarbonylContact C-O 3.59Å; A533-H636 VanDerWaalsContact CA-O 3.28Å; A533-H636 WeakPolarHBondContact CA-O 3.48Å; H534-H636 AromaticContact CD2-NE2 3.75Å; H534-H636 AromaticContact CE1-CD2 3.82Å; H534-H636 AromaticContact CE1-NE2 3.63Å; H534-H636 PolarHBondContact N-O 2.81Å; H534-H636 PolarHBondContact ND1-O 2.98Å; H534-H636 AromaticContact NE2-CD2 3.88Å; H534-H636 AromaticContact NE2-CE1 3.94Å; H534-H636 AromaticContact NE2-NE2 3.22Å; H534-H636 PolarHBondContact NE2-NE2 3.24Å; H534-H636 PolarHBondContact O-N 2.88Å; D536-H636 IonicContact OD2-CE1 3.53Å; D536-H636 PolarHBondContact OD2-CE1 3.41Å; D536-H636 VanDerWaalsContact OD2-CE1 3.29Å; D536-H636 IonicContact OD2-NE2 3.65Å; I572-H636 CarbonylContact O-C 3.1Å; I572-H636 WeakPolarHBondContact O-CA 3.44Å; I572-H636 WeakPolarHBondContact O-CB 3.26Å; C573-H636 HydrophobicContact CB-CB 4.44Å; V634-H636 HydrophobicContact CG1-CB 4.37Å; V634-H636 PolarHBondContact O-ND1 2.71Å; H636-F638 AromaticContact CD2-CD2 3.87Å; H636-F638 AromaticContact CD2-CE2 3.35Å; H636-F638 WeakPolarHBondContact CD2-CE2 3.49Å; H636-F638 AromaticContact NE2-CE2 3.71Å
637	Q	97.8	Very high	97.9	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.009	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	134.8	-174.4	-175.4	-177.5	-100.7	0	0	109.7	T531 A533 V571 I572 W601 V602	T531-Q637 WeakPolarHBondContact O-CG 3.12Å; A533-Q637 HydrophobicContact CB-CB 4.4Å; V571-Q637 WeakPolarHBondContact CA-O 3.35Å; I572-Q637 HydrophobicContact CB-CB 4.35Å; I572-Q637 PolarHBondContact N-O 2.88Å; I572-Q637 PolarHBondContact O-N 3.06Å; W601-Q637 HydrophobicContact CE3-CG 3.93Å; W601-Q637 VanDerWaalsContact CE3-OE1 3.24Å; W601-Q637 HydrophobicContact CH2-CG 3.66Å; W601-Q637 VanDerWaalsContact CH2-NE2 3.34Å; W601-Q637 HydrophobicContact CZ3-CG 3.3Å; V602-Q637 PolarHBondContact O-NE2 2.92Å
638	F	97.9	Very high	97.9	Very high	16 Å²	16	12 Å²	12	7%	0.07	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.8	-178.3	-73.1	-81.9	0	0	0	112.2	R530 T531 K569 V571 L622 Y628 I630 H636	R530-F638 WeakPolarHBondContact CA-O 3.43Å; T531-F638 PolarHBondContact N-O 2.94Å; T531-F638 PolarHBondContact O-N 3.08Å; K569-F638 HydrophobicContact CB-CD1 4.33Å; K569-F638 HydrophobicContact CD-CD1 3.48Å; K569-F638 VanDerWaalsContact CD-CD1 3.48Å; K569-F638 HydrophobicContact CD-CE1 3.87Å; K569-F638 HydrophobicContact CD-CG 4.38Å; K569-F638 HydrophobicContact CG-CD1 4.5Å; V571-F638 HydrophobicContact CB-CD1 4.25Å; V571-F638 HydrophobicContact CB-CE1 4.28Å; V571-F638 HydrophobicContact CG1-CD1 3.81Å; V571-F638 HydrophobicContact CG1-CE1 3.63Å; V571-F638 HydrophobicContact CG1-CG 4.47Å; V571-F638 HydrophobicContact CG1-CZ 4.14Å; V571-F638 HydrophobicContact CG2-CD1 3.55Å; V571-F638 HydrophobicContact CG2-CE1 3.6Å; L622-F638 HydrophobicContact CD1-CE1 4.2Å; Y628-F638 HydrophobicContact CE2-CE1 4.27Å; Y628-F638 AromaticContact CE2-CZ 3.7Å; Y628-F638 HydrophobicContact CE2-CZ 3.7Å; Y628-F638 AromaticContact CZ-CZ 3.86Å; I630-F638 HydrophobicContact CD1-CE2 4.29Å; I630-F638 HydrophobicContact CD1-CZ 3.98Å; H636-F638 AromaticContact CD2-CD2 3.87Å; H636-F638 AromaticContact CD2-CE2 3.35Å; H636-F638 WeakPolarHBondContact CD2-CE2 3.49Å; H636-F638 AromaticContact NE2-CE2 3.71Å
639	K	98.1	Very high	97.9	Very high	49 Å²	49	11.8 Å²	11.8	21%	0.213	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.7	163.1	177.8	-179.9	-178.5	168.4	0	109.3	E488 R530 K569 D570 W601 V641	E488-K639 WeakPolarHBondContact OE1-CE 3.47Å; E488-K639 IonicContact OE1-NZ 3.42Å; E488-K639 PolarHBondContact OE1-NZ 3.46Å; E488-K639 WeakPolarHBondContact OE2-CE 3.46Å; E488-K639 IonicContact OE2-NZ 2.99Å; R530-K639 HydrophobicContact CG-CG 4.43Å; K569-K639 CarbonylContact C-O 3.44Å; K569-K639 VanDerWaalsContact CA-O 3.23Å; K569-K639 WeakPolarHBondContact CA-O 3.16Å; D570-K639 HydrophobicContact CB-CB 4.26Å; D570-K639 PolarHBondContact N-O 3.07Å; D570-K639 WeakPolarHBondContact O-CB 3.5Å; D570-K639 PolarHBondContact O-N 2.89Å; W601-K639 HydrophobicContact CH2-CB 3.91Å; W601-K639 HydrophobicContact CZ2-CB 4.18Å; K639-V641 HydrophobicContact CD-CG1 4.17Å; K639-V641 HydrophobicContact CG-CG1 4.12Å
640	T	98.3	Very high	97.7	Very high	4 Å²	4	14.1 Å²	14.1	3%	0.025	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.3	171.7	-45.7	0	0	0	0	109.5	R485 E488 D529 S642 V644	R485-T640 HydrophobicContact CB-CG2 3.79Å; E488-T640 PolarHBondContact N-O 3.11Å; D529-T640 PolarHBondContact O-N 2.79Å; D529-T640 WeakPolarHBondContact OD1-CB 3.48Å; D529-T640 PolarHBondContact OD1-OG1 3.13Å; T640-S642 WeakPolarHBondContact CG2-O 3.48Å; T640-V644 HydrophobicContact CG2-CG1 3.7Å
641	V	97.3	Very high	97.6	Very high	48 Å²	48	14 Å²	14	29%	0.291	7%	0.072	S	C	.	.			trans	-103.7	-16.6	-178.9	-59.1	0	0	0	0	113.7	I567 T568 D570 K639	I567-V641 HydrophobicContact CB-CG2 4.39Å; I567-V641 HydrophobicContact CG2-CG2 3.76Å; I567-V641 WeakPolarHBondContact O-CG2 3.19Å; T568-V641 WeakPolarHBondContact O-CG2 3.38Å; T568-V641 PolarHBondContact O-N 3.24Å; D570-V641 HydrophobicContact CB-CG1 3.93Å; K639-V641 HydrophobicContact CD-CG1 4.17Å; K639-V641 HydrophobicContact CG-CG1 4.12Å
642	S	97.1	Very high	97.4	Very high	18 Å²	18	16.8 Å²	16.8	13%	0.126	8%	0.082	C	C	.	.	S	Bend	trans	-147.6	158.3	171.5	-75.5	0	0	0	0	110	G419 I567 T568 T640 V644	G419-S642 CarbonylContact O-C 3.48Å; G419-S642 WeakPolarHBondContact O-CA 3.18Å; G419-S642 WeakPolarHBondContact O-CB 3.25Å; I567-S642 WeakPolarHBondContact O-CB 3.49Å; I567-S642 PolarHBondContact O-OG 2.86Å; T568-S642 PolarHBondContact O-N 3.46Å; T640-S642 WeakPolarHBondContact CG2-O 3.48Å; S642-V644 PolarHBondContact O-N 2.81Å
643	A	97.5	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.			trans	-58	128	-178.8	0	0	0	0	0	111.5	Y416 G419 Y421 R485 A555 V556	Y416-A643 HydrophobicContact CE2-CB 4.39Å; G419-A643 WeakPolarHBondContact O-CB 3.18Å; G419-A643 PolarHBondContact O-N 3.42Å; Y421-A643 HydrophobicContact CD1-CB 3.58Å; Y421-A643 HydrophobicContact CE1-CB 3.88Å; R485-A643 WeakPolarHBondContact O-CA 3.17Å; A555-A643 WeakPolarHBondContact CA-O 3.1Å; V556-A643 HydrophobicContact CB-CB 3.91Å; V556-A643 HydrophobicContact CG2-CB 4.17Å; V556-A643 PolarHBondContact N-O 2.78Å
644	V	98.1	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	136.4	-169.7	65.9	0	0	0	0	111.1	V484 R485 L553 K554 T568 T640 S642	V484-V644 WeakPolarHBondContact CA-O 3.47Å; R485-V644 HydrophobicContact CB-CG1 4.37Å; R485-V644 PolarHBondContact N-O 3.4Å; R485-V644 PolarHBondContact O-N 3.43Å; R485-V644 VanDerWaalsContact O-N 3.08Å; L553-V644 HydrophobicContact CB-CG2 4.23Å; L553-V644 HydrophobicContact CD2-CG2 4.21Å; K554-V644 WeakPolarHBondContact O-CA 3.33Å; K554-V644 WeakPolarHBondContact O-CG2 2.98Å; T568-V644 HydrophobicContact CG2-CB 3.95Å; T568-V644 HydrophobicContact CG2-CG2 3.74Å; T640-V644 HydrophobicContact CG2-CG1 3.7Å; S642-V644 PolarHBondContact O-N 2.81Å
645	C	98.2	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128	161.3	-56.4	0	0	0	0	107.8	F377 W483 V484 K554	F377-C645 HydrophobicContact CB-CB 3.95Å; F377-C645 HydrophobicContact CD2-CB 3.67Å; F377-C645 HydrophobicContact CG-CB 4.23Å; W483-C645 WeakPolarHBondContact O-CA 3.49Å; V484-C645 HydrophobicContact CG2-CB 4.37Å; K554-C645 PolarHBondContact N-O 3.29Å; K554-C645 PolarHBondContact O-N 3.26Å
646	S	98.5	Very high	96.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.3	179.1	-58.3	0	0	0	0	109.4	M482 W483 V552 L553 K569	M482-S646 WeakPolarHBondContact CA-O 3.36Å; W483-S646 PolarHBondContact N-O 3.16Å; W483-S646 PolarHBondContact O-N 2.73Å; V552-S646 WeakPolarHBondContact O-CA 3.38Å; L553-S646 WeakPolarHBondContact CD2-OG 3.46Å; K569-S646 VanDerWaalsContact CE-OG 3.29Å; K569-S646 WeakPolarHBondContact CE-OG 3.31Å; K569-S646 PolarHBondContact NZ-OG 3.39Å
647	L	98.4	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146.2	159.5	-59.9	172.3	0	0	0	108.8	F377 L431 F446 L450 I481 M482 G551 V552 W649	F377-L647 HydrophobicContact CD2-CD1 4.38Å; F377-L647 HydrophobicContact CD2-CG 4.04Å; F377-L647 HydrophobicContact CE1-CD1 4.06Å; F377-L647 HydrophobicContact CE2-CD1 3.65Å; F377-L647 HydrophobicContact CE2-CD2 4.46Å; F377-L647 HydrophobicContact CE2-CG 3.53Å; F377-L647 HydrophobicContact CZ-CD1 3.45Å; F377-L647 VanDerWaalsContact CZ-CD1 3.45Å; F377-L647 HydrophobicContact CZ-CG 3.91Å; L431-L647 HydrophobicContact CD1-CD2 3.56Å; F446-L647 HydrophobicContact CE1-CD1 3.85Å; F446-L647 HydrophobicContact CE1-CD2 4.28Å; F446-L647 HydrophobicContact CZ-CD1 4Å; L450-L647 HydrophobicContact CD1-CD1 4.23Å; L450-L647 HydrophobicContact CD2-CD1 3.7Å; I481-L647 VanDerWaalsContact O-CA 3.28Å; I481-L647 WeakPolarHBondContact O-CA 3.29Å; M482-L647 HydrophobicContact CB-CD2 3.54Å; M482-L647 HydrophobicContact CG-CD2 3.68Å; M482-L647 HydrophobicContact SD-CD2 4.39Å; G551-L647 CarbonylContact C-O 3.59Å; G551-L647 WeakPolarHBondContact CA-O 3.32Å; V552-L647 HydrophobicContact CB-CB 4.17Å; V552-L647 HydrophobicContact CB-CD1 4.36Å; V552-L647 PolarHBondContact N-O 3.39Å; V552-L647 PolarHBondContact O-N 2.97Å; L647-W649 HydrophobicContact CB-CZ3 4.27Å
648	A	98.1	Very high	93.3	Very high	15 Å²	15	31.3 Å²	31.3	12%	0.124	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.2	162	0	0	0	0	0	112.5	P480 I481 W483 V550	P480-A648 WeakPolarHBondContact CA-O 3.36Å; I481-A648 WeakPolarHBondContact CG1-O 3.33Å; I481-A648 PolarHBondContact N-O 2.65Å; I481-A648 PolarHBondContact O-N 2.85Å; W483-A648 HydrophobicContact CH2-CB 3.56Å; W483-A648 HydrophobicContact CZ3-CB 3.75Å; V550-A648 WeakPolarHBondContact O-CA 3.42Å; V550-A648 WeakPolarHBondContact O-CB 3.43Å
649	W	97.9	Very high	90.8	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	162.1	170.4	53.9	93.5	0	0	0	110.3	L450 L456 T459 L460 P461 D478 P480 A549 V550 V552 L647	L450-W649 HydrophobicContact CD1-CZ3 4.44Å; L456-W649 HydrophobicContact CB-CH2 4.47Å; L456-W649 HydrophobicContact CB-CZ2 4.38Å; L456-W649 HydrophobicContact CD1-CH2 4.28Å; L456-W649 HydrophobicContact CD2-CH2 3.77Å; L456-W649 HydrophobicContact CD2-CZ2 3.84Å; L456-W649 HydrophobicContact CG-CH2 4.38Å; T459-W649 PolarHBondContact O-NE1 2.95Å; L460-W649 HydrophobicContact CD2-CD2 4.11Å; L460-W649 HydrophobicContact CD2-CE3 4.42Å; L460-W649 HydrophobicContact CD2-CH2 4.09Å; L460-W649 HydrophobicContact CD2-CZ2 3.77Å; L460-W649 HydrophobicContact CD2-CZ3 4.42Å; L460-W649 HydrophobicContact CG-CZ2 4.03Å; P461-W649 HydrophobicContact CG-CB 4.17Å; P461-W649 HydrophobicContact CG-CG 4.34Å; D478-W649 CarbonylContact O-C 3.58Å; D478-W649 WeakPolarHBondContact O-CA 3.42Å; D478-W649 WeakPolarHBondContact O-CB 3.49Å; P480-W649 HydrophobicContact CB-CD2 4.48Å; P480-W649 HydrophobicContact CB-CE3 3.71Å; P480-W649 HydrophobicContact CB-CZ3 4.26Å; P480-W649 HydrophobicContact CG-CB 4.47Å; P480-W649 HydrophobicContact CG-CD2 4.06Å; P480-W649 HydrophobicContact CG-CE3 3.63Å; P480-W649 HydrophobicContact CG-CG 4.45Å; P480-W649 HydrophobicContact CG-CZ3 4.13Å; A549-W649 WeakPolarHBondContact CA-O 3.34Å; V550-W649 HydrophobicContact CB-CD2 4.31Å; V550-W649 HydrophobicContact CB-CZ2 4.05Å; V550-W649 HydrophobicContact CG1-CH2 4.36Å; V550-W649 HydrophobicContact CG1-CZ2 3.75Å; V550-W649 PolarHBondContact N-O 3.03Å; V550-W649 PolarHBondContact O-N 3.35Å; V552-W649 HydrophobicContact CG2-CH2 3.97Å; V552-W649 HydrophobicContact CG2-CZ3 4.18Å; L647-W649 HydrophobicContact CB-CZ3 4.27Å
650	H	96.4	Very high	88	Confident	49 Å²	49	40.3 Å²	40.3	23%	0.227	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	151.6	168.4	-58.1	142.7	0	0	0	110.9	D478 D536 V538 T547 A548	D478-H650 HydrophobicContact CB-CB 4.05Å; D478-H650 PolarHBondContact O-N 3.15Å; D536-H650 IonicContact OD1-NE2 2.72Å; V538-H650 HydrophobicContact CG1-CB 4.26Å; T547-H650 HydrophobicContact CG2-CB 3.76Å; A548-H650 WeakPolarHBondContact O-CA 3.35Å
651	I	95.3	Very high	85	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.9	166.7	178.9	164.9	0	0	0	111.6	T459 L465 T547 A548 V550 L653	T459-I651 WeakPolarHBondContact O-CD1 3.29Å; L465-I651 HydrophobicContact CB-CD1 4.04Å; T547-I651 PolarHBondContact OG1-O 2.75Å; T547-I651 VanDerWaalsContact OG1-O 3.12Å; A548-I651 HydrophobicContact CB-CG2 3.89Å; A548-I651 PolarHBondContact O-N 2.78Å; V550-I651 HydrophobicContact CG2-CG2 4.02Å; I651-L653 HydrophobicContact CD1-CD2 3.58Å; I651-L653 HydrophobicContact CD1-CG 4.39Å; I651-L653 HydrophobicContact CG1-CD2 3.81Å; I651-L653 HydrophobicContact CG1-CG 4.08Å; I651-L653 HydrophobicContact CG2-CD2 4.38Å; I651-L653 HydrophobicContact CG2-CG 4.31Å; I651-L653 PolarHBondContact O-N 3.37Å; I651-L653 VanDerWaalsContact O-N 3.16Å
652	R	94.4	Very high	81.9	Confident	60 Å²	60	49.1 Å²	49.1	23%	0.226	27%	0.267	C	S	.	.			trans	-81.1	87.7	172.3	-47.1	-172.4	-162.6	-169.9	1.6	108.6	S466 S467 L468 D478 V538	S466-R652 CarbonylContact C-O 3.49Å; S466-R652 WeakPolarHBondContact CA-O 3.4Å; S467-R652 WeakPolarHBondContact CB-O 3.05Å; S467-R652 PolarHBondContact N-O 3.09Å; S467-R652 WeakPolarHBondContact OG-CB 3.37Å; S467-R652 PolarHBondContact OG-O 3.16Å; S467-R652 VanDerWaalsContact OG-O 3.07Å; L468-R652 HydrophobicContact CG-CG 4.44Å; D478-R652 IonicContact OD1-CZ 2.98Å; D478-R652 IonicContact OD1-NE 3.26Å; D478-R652 PolarHBondContact OD1-NE 2.95Å; D478-R652 IonicContact OD1-NH2 2.9Å; D478-R652 PolarHBondContact OD1-NH2 3.33Å; D478-R652 WeakPolarHBondContact OD2-CG 3.15Å; D478-R652 IonicContact OD2-CZ 3.41Å; D478-R652 IonicContact OD2-NE 3.81Å; D478-R652 PolarHBondContact OD2-NE 3.07Å; D478-R652 IonicContact OD2-NH2 3.49Å; D478-R652 PolarHBondContact OD2-NH2 2.94Å; V538-R652 HydrophobicContact CG2-CG 4.16Å
653	L	94	Very high	78.9	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-66.6	136.1	-173.2	-69.5	166.7	0	0	0	112.2	F352 L465 A548 I651 Q655 Y656	F352-L653 HydrophobicContact CB-CD1 3.68Å; F352-L653 HydrophobicContact CD1-CD1 3.52Å; F352-L653 HydrophobicContact CD2-CD1 3.61Å; F352-L653 HydrophobicContact CD2-CD2 4.19Å; F352-L653 HydrophobicContact CE1-CD1 3.97Å; F352-L653 HydrophobicContact CE2-CD1 4.03Å; F352-L653 HydrophobicContact CE2-CD2 4.26Å; F352-L653 HydrophobicContact CG-CD1 3.32Å; F352-L653 HydrophobicContact CZ-CD1 4.19Å; L465-L653 HydrophobicContact CB-CD2 3.64Å; L465-L653 HydrophobicContact CD1-CD2 4.44Å; L465-L653 WeakPolarHBondContact O-CA 3.3Å; A548-L653 HydrophobicContact CB-CD1 3.95Å; I651-L653 HydrophobicContact CD1-CD2 3.58Å; I651-L653 HydrophobicContact CD1-CG 4.39Å; I651-L653 HydrophobicContact CG1-CD2 3.81Å; I651-L653 HydrophobicContact CG1-CG 4.08Å; I651-L653 HydrophobicContact CG2-CD2 4.38Å; I651-L653 HydrophobicContact CG2-CG 4.31Å; I651-L653 PolarHBondContact O-N 3.37Å; I651-L653 VanDerWaalsContact O-N 3.16Å; L653-Q655 HydrophobicContact CB-CG 3.97Å; L653-Q655 PolarHBondContact O-N 3.32Å; L653-Y656 HydrophobicContact CB-CD1 4.41Å; L653-Y656 HydrophobicContact CB-CD2 3.78Å; L653-Y656 HydrophobicContact CB-CE2 3.99Å; L653-Y656 HydrophobicContact CB-CG 4.02Å; L653-Y656 HydrophobicContact CD1-CD2 4.36Å; L653-Y656 HydrophobicContact CD1-CE1 4.22Å; L653-Y656 HydrophobicContact CD1-CE2 3.68Å; L653-Y656 HydrophobicContact CG-CD2 4.44Å; L653-Y656 HydrophobicContact CG-CE2 4.18Å; L653-Y656 WeakPolarHBondContact O-CB 2.94Å; L653-Y656 PolarHBondContact O-N 3.33Å
654	K	93.2	Very high	75.9	Confident	92 Å²	92	63.1 Å²	63.1	40%	0.4	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-51.9	-42.6	177.8	-71.5	172.7	-172.7	173.2	0	113	T464 L465 S466 Y656 H657	T464-K654 VanDerWaalsContact O-CE 3.26Å; T464-K654 WeakPolarHBondContact O-CE 3.2Å; T464-K654 PolarHBondContact O-NZ 2.95Å; L465-K654 WeakPolarHBondContact O-CG 3.42Å; L465-K654 PolarHBondContact O-N 3.49Å; S466-K654 WeakPolarHBondContact O-CE 3.36Å; K654-Y656 PolarHBondContact O-N 3.41Å; K654-H657 CarbonylContact O-C 3.5Å; K654-H657 PolarHBondContact O-N 3.16Å; K654-H657 VanDerWaalsContact O-N 3.15Å
655	Q	89.5	Confident	72.7	Confident	101 Å²	101	71 Å²	71	47%	0.472	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21.8	-179.8	55.5	165.8	33.5	0	0	114.4	F352 L653 H657	F352-Q655 VanDerWaalsContact CB-NE2 3.33Å; F352-Q655 PolarHBondContact O-NE2 3.12Å; L653-Q655 HydrophobicContact CB-CG 3.97Å; L653-Q655 PolarHBondContact O-N 3.32Å; Q655-H657 PolarHBondContact O-N 3.16Å
656	Y	85.8	Confident	69.7	Low	14 Å²	14	77.1 Å²	77.1	6%	0.055	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-75.4	-16.7	177.7	-67.6	-14.6	0	0	0	113.1	E354 A548 R632 L653 K654	E354-Y656 HydrophobicContact CG-CE1 4.32Å; E354-Y656 WeakPolarHBondContact OE1-CE1 3.22Å; A548-Y656 HydrophobicContact CB-CE2 4.02Å; R632-Y656 HydrophobicContact CB-CD2 4.49Å; R632-Y656 HydrophobicContact CB-CE2 3.77Å; R632-Y656 HydrophobicContact CG-CD2 4.24Å; R632-Y656 HydrophobicContact CG-CE1 4.1Å; R632-Y656 HydrophobicContact CG-CE2 3.65Å; R632-Y656 PolarHBondContact N-OH 2.87Å; L653-Y656 HydrophobicContact CB-CD1 4.41Å; L653-Y656 HydrophobicContact CB-CD2 3.78Å; L653-Y656 HydrophobicContact CB-CE2 3.99Å; L653-Y656 HydrophobicContact CB-CG 4.02Å; L653-Y656 HydrophobicContact CD1-CD2 4.36Å; L653-Y656 HydrophobicContact CD1-CE1 4.22Å; L653-Y656 HydrophobicContact CD1-CE2 3.68Å; L653-Y656 HydrophobicContact CG-CD2 4.44Å; L653-Y656 HydrophobicContact CG-CE2 4.18Å; L653-Y656 WeakPolarHBondContact O-CB 2.94Å; L653-Y656 PolarHBondContact O-N 3.33Å; K654-Y656 PolarHBondContact O-N 3.41Å
657	H	75.6	Confident	66.7	Low	77 Å²	77	86.1 Å²	86.1	36%	0.356	46%	0.462	S	S	.	.	S	Bend	trans	-122.8	76.4	176.2	-47.7	-78.1	0	0	0	108.1	Q545 K654 Q655 V659	Q545-H657 PolarHBondContact OE1-CE1 2.87Å; K654-H657 CarbonylContact O-C 3.5Å; K654-H657 PolarHBondContact O-N 3.16Å; K654-H657 VanDerWaalsContact O-N 3.15Å; Q655-H657 PolarHBondContact O-N 3.16Å; H657-V659 PolarHBondContact O-N 2.78Å
658	P	59.1	Low	63.5	Low	107 Å²	107	91.9 Å²	91.9	70%	0.695	50%	0.503	S	S	*	.			trans	-54.4	118.1	170.6	24.2	-33	0	0	0	107.5	V660	P658-V660 PolarHBondContact O-N 2.86Å
659	V	45.8	Very low	60.3	Low	119 Å²	119	99.1 Å²	99.1	72%	0.721	54%	0.54	S	S	*	.			trans	-61.8	111.1	-178.9	-175.8	0	0	0	0	106.4	H657 E661	H657-V659 PolarHBondContact O-N 2.78Å; V659-E661 HydrophobicContact CB-CG 4.25Å; V659-E661 HydrophobicContact CG1-CG 3.65Å; V659-E661 PolarHBondContact O-N 2.82Å
660	V	39.4	Very low	57.1	Low	135 Å²	135	104.3 Å²	104.3	82%	0.818	58%	0.577	S	S	*	*			trans	-68.5	84.6	160.4	-178	0	0	0	0	104.8	P658 A662	P658-V660 PolarHBondContact O-N 2.86Å; V660-A662 PolarHBondContact O-N 3.4Å
661	E	34.9	Very low	54.1	Low	167 Å²	167	108.3 Å²	108.3	78%	0.78	60%	0.599	S	S	*	*			trans	-64.3	88.3	167.3	-73.5	-165.8	162	0	0	106.3	V659 T663	V659-E661 HydrophobicContact CB-CG 4.25Å; V659-E661 HydrophobicContact CG1-CG 3.65Å; V659-E661 PolarHBondContact O-N 2.82Å; E661-T663 PolarHBondContact O-N 2.88Å; E661-T663 VanDerWaalsContact O-N 3.16Å
662	A	32.6	Very low	51.1	Low	70 Å²	70	116.2 Å²	116.2	58%	0.579	64%	0.639	S	S	*	*			trans	-54.5	123.7	169.1	0	0	0	0	0	107.1	V660 Q664	V660-A662 PolarHBondContact O-N 3.4Å; A662-Q664 PolarHBondContact O-N 2.97Å
663	T	33.6	Very low	48	Very low	144 Å²	144	120.1 Å²	120.1	88%	0.883	66%	0.664	S	S	*	*	S	Bend	trans	-64.5	75.9	173.3	24.7	0	0	0	0	110.2	E661	E661-T663 PolarHBondContact O-N 2.88Å; E661-T663 VanDerWaalsContact O-N 3.16Å
664	Q	34.3	Very low	44.9	Very low	167 Å²	167	125.5 Å²	125.5	78%	0.78	70%	0.701	S	S	*	*			trans	-132	55.6	172.5	-69.1	-167	1	0	0	109.5	A662	A662-Q664 PolarHBondContact O-N 2.97Å
665	N	32.7	Very low	41.7	Very low	167 Å²	167	125.1 Å²	125.1	89%	0.893	72%	0.722	S	S	*	*			trans	-151.1	41.3	167.2	-98	-31.6	0	0	0	112.2
666	T	35	Very low	38.9	Very low	128 Å²	128	128.2 Å²	128.2	79%	0.785	74%	0.741	S	S	*	*	S	Bend	trans	-140.4	71.2	167	-39.9	0	0	0	0	110.3
667	E	35.6	Very low	36.1	Very low	188 Å²	188	134.7 Å²	134.7	88%	0.879	78%	0.782	S	S	*	*	S	Bend	trans	175.6	94.5	148.5	-102.9	172.5	-147	0	0	111
668	S	29.8	Very low	33.8	Very low	122 Å²	122	135 Å²	135	85%	0.853	81%	0.806	S	S	*	*			trans	167.7	84.1	142.8	40.4	0	0	0	0	110.1
669	N	31.5	Very low	32.4	Very low	167 Å²	167	139.7 Å²	139.7	89%	0.893	82%	0.816	S	S	*	*			trans	-135	84.2	164	-144.2	1.6	0	0	0	109.9
670	S	31.7	Very low	31.6	Very low	114 Å²	114	145.6 Å²	145.6	80%	0.797	83%	0.825	S	S	*	*			trans	-142.4	110.5	167.5	60.2	0	0	0	0	109.5
671	N	32.4	Very low	31	Very low	132 Å²	132	147.7 Å²	147.7	71%	0.706	83%	0.826	S	S	*	*			trans	-38.3	144.7	168.9	-73.8	-27.6	0	0	0	113.5
672	M	31.7	Very low	30.8	Very low	167 Å²	167	147.8 Å²	147.8	82%	0.823	83%	0.831	S	S	*	*				-175.5	120	97.3	-85.4	-51.3	166.7	0	0	112.7
673	D	29.1	Very low	30.6	Very low	142 Å²	142	152.6 Å²	152.6	76%	0.759	84%	0.842	S	S	*	*			trans	14.9	145.4	145.5	-153.8	34.1	0	0	0	125.6
674	C	29.6	Very low	30.2	Very low	116 Å²	116	152 Å²	152	78%	0.784	84%	0.837	S	S	*	*			trans	49.6	132.4	150.2	-83.6	0	0	0	0	124.5
675	G	25.6	Very low	30	Very low	83 Å²	83	150.9 Å²	150.9	86%	0.856	84%	0.837	S	S	*	*			trans	171.3	96.4	157.1	0	0	0	0	0	116.1
676	L	30.4	Very low	29.8	Very low	167 Å²	167	148.3 Å²	148.3	87%	0.874	83%	0.832	S	S	*	*			trans	-83	157.6	172.7	-82.2	162.6	0	0	0	113.3
677	T	28.3	Very low	29.4	Very low	149 Å²	149	151 Å²	151	91%	0.914	84%	0.835	S	S	*	*			trans	112.7	138	152.5	69.3	0	0	0	0	118.8
678	G	26.9	Very low	28.8	Very low	83 Å²	83	147.4 Å²	147.4	86%	0.856	83%	0.83	S	S	*	*			trans	144.8	94.5	164.7	0	0	0	0	0	115.3
679	K	29.4	Very low	28.6	Very low	206 Å²	206	147 Å²	147	90%	0.896	82%	0.822	S	S	*	*			trans	-82	149.4	177.2	-58.6	175.2	176	-176.7	0	112.9
680	R	28.5	Very low	28.4	Very low	244 Å²	244	151 Å²	151	92%	0.921	83%	0.825	S	S	*	*				-172.9	149.2	116.9	-106.1	173.5	-171.6	148.8	4.6	113.7
681	E	27.6	Very low	28.2	Very low	178 Å²	178	152.2 Å²	152.2	83%	0.832	82%	0.821	S	S	*	*			trans	-79.4	158.1	174.5	-57.8	126.9	138.6	0	0	112.3
682	L	30.3	Very low	28	Very low	169 Å²	169	153 Å²	153	89%	0.885	82%	0.818	S	S	*	*				-165.1	148.8	122.2	-105.2	166.9	0	0	0	111.5
683	E	27.8	Very low	27.9	Very low	172 Å²	172	151.9 Å²	151.9	80%	0.804	82%	0.821	S	S	*	*			trans	-77.2	158.7	-178.7	-59.2	163.8	115	0	0	112.4
684	V	27	Very low	27.7	Very low	130 Å²	130	151.7 Å²	151.7	79%	0.788	82%	0.815	S	S	*	*				170.5	130.5	107.9	158	0	0	0	0	109.6
685	D	28.6	Very low	27.7	Very low	145 Å²	145	151.8 Å²	151.8	78%	0.775	82%	0.817	S	S	*	*			trans	-81.3	141.1	172.4	-177.7	17.9	0	0	0	111.2
686	S	28.4	Very low	27.8	Very low	112 Å²	112	156.6 Å²	156.6	78%	0.783	82%	0.817	S	S	*	*			trans	-164.5	91.7	169.7	-83.1	0	0	0	0	112.8
687	Q	26.6	Very low	27.7	Very low	184 Å²	184	157.5 Å²	157.5	86%	0.86	82%	0.817	S	S	*	*			trans	-55	134.4	164	179.3	178.5	12.7	0	0	113.7
688	C	23.3	Very low	27.7	Very low	114 Å²	114	154.8 Å²	154.8	77%	0.77	81%	0.81	S	S	*	*			trans	-178.6	128.4	140	-155.2	0	0	0	0	114.5
689	V	26.6	Very low	27.7	Very low	114 Å²	114	157.1 Å²	157.1	69%	0.691	81%	0.811	S	S	*	*			trans	31.2	128	147	179.7	0	0	0	0	120.6	I691	V689-I691 HydrophobicContact CG1-CD1 4.37Å; V689-I691 HydrophobicContact CG1-CG1 3.9Å
690	R	26.5	Very low	27.5	Very low	250 Å²	250	154.2 Å²	154.2	94%	0.943	81%	0.811	S	S	*	*			trans	-128.3	123.3	152.1	-160.6	167.7	-176.8	165.1	-0.1	112
691	I	28.7	Very low	27.5	Very low	139 Å²	139	150.3 Å²	150.3	71%	0.713	80%	0.803	S	S	*	*			trans	-84.2	156.2	178.8	-69.3	168	0	0	0	109.9	V689	V689-I691 HydrophobicContact CG1-CD1 4.37Å; V689-I691 HydrophobicContact CG1-CG1 3.9Å
692	K	28.1	Very low	27.6	Very low	148 Å²	148	148 Å²	148	64%	0.643	80%	0.795	S	S	*	*			trans	-45	149.1	169.3	-78.8	-173.8	169.7	-167	0	113	E694	K692-E694 HydrophobicContact CD-CG 4.42Å; K692-E694 WeakPolarHBondContact CE-OE1 3.14Å; K692-E694 IonicContact NZ-OE1 3.55Å; K692-E694 PolarHBondContact NZ-OE1 2.89Å; K692-E694 IonicContact NZ-OE2 2.67Å
693	T	27.7	Very low	27.4	Very low	145 Å²	145	148.4 Å²	148.4	89%	0.89	79%	0.793	S	S	*	*			trans	-136.2	120.8	139.8	-36.5	0	0	0	0	108.2
694	E	26.1	Very low	27.6	Very low	138 Å²	138	147.6 Å²	147.6	65%	0.645	79%	0.793	S	S	*	*			trans	-92	159.7	171.7	-72.2	158.9	152.4	0	0	109.4	K692	K692-E694 HydrophobicContact CD-CG 4.42Å; K692-E694 WeakPolarHBondContact CE-OE1 3.14Å; K692-E694 IonicContact NZ-OE1 3.55Å; K692-E694 PolarHBondContact NZ-OE1 2.89Å; K692-E694 IonicContact NZ-OE2 2.67Å
695	S	28.4	Very low	27.6	Very low	117 Å²	117	149.3 Å²	149.3	82%	0.818	80%	0.797	S	S	*	*			trans	-135.8	102.7	163.2	58.7	0	0	0	0	109.2
696	E	28.7	Very low	27.5	Very low	184 Å²	184	147.5 Å²	147.5	86%	0.86	79%	0.791	S	S	*	*			trans	-64.9	157.1	155.1	-60.2	-178.8	128.4	0	0	108.2
697	E	29	Very low	27.5	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	79%	0.792	S	S	*	*				-168.3	166.1	76	-78.2	179	166.2	0	0	108.4
698	A	27.3	Very low	27.6	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	79%	0.786	S	S	*	*			cis	-165.8	150.1	-27.9	0	0	0	0	0	106.7
699	C	26.4	Very low	27.9	Very low	131 Å²	131	144.2 Å²	144.2	89%	0.885	79%	0.79	S	S	*	*			trans	-89.1	158.5	174	-74.9	0	0	0	0	112.4
700	T	25.9	Very low	28	Very low	146 Å²	146	144.3 Å²	144.3	90%	0.896	80%	0.796	S	S	*	*			trans	-138.5	121.9	153.1	-17.2	0	0	0	0	111.6
701	E	28.1	Very low	28.1	Very low	162 Å²	162	137.6 Å²	137.6	76%	0.757	79%	0.787	S	S	*	*			trans	-86.3	178	165	-133.7	-137.7	121.8	0	0	108.6
702	I	30.4	Very low	28.1	Very low	129 Å²	129	140.3 Å²	140.3	66%	0.662	79%	0.794	S	S	*	*			cis	-144.7	162.9	23.7	-52.1	162.9	0	0	0	107.7
703	Q	25.5	Very low	29	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	80%	0.8	S	S	*	*				151.7	125.5	115.6	-152.9	152.3	98.5	0	0	117
704	L	31.9	Very low	30.3	Very low	155 Å²	155	137.3 Å²	137.3	81%	0.812	79%	0.793	S	S	*	*			trans	-89.1	145.6	168.5	-98	143.6	0	0	0	110.8
705	L	27.9	Very low	30.5	Very low	165 Å²	165	134.9 Å²	134.9	86%	0.864	80%	0.796	S	S	*	*				-169.5	137.1	128.9	-123.1	83.7	0	0	0	115.2
706	T	26.5	Very low	30.6	Very low	107 Å²	107	134.5 Å²	134.5	66%	0.656	79%	0.793	S	S	*	*			trans	-20.7	155.7	162.6	43.8	0	0	0	0	125.5
707	T	27.3	Very low	30.7	Very low	129 Å²	129	134 Å²	134	79%	0.791	79%	0.791	S	S	*	*			trans	91.5	106.9	135	45.3	0	0	0	0	124.7
708	A	29.1	Very low	30.7	Very low	89 Å²	89	132.7 Å²	132.7	74%	0.736	79%	0.789	S	S	*	*				98.5	136.9	111.5	0	0	0	0	0	123.2
709	S	29.3	Very low	30.7	Very low	124 Å²	124	134.2 Å²	134.2	87%	0.867	78%	0.784	S	S	*	*			trans	66.3	142.5	166.5	69.8	0	0	0	0	117.6
710	S	28.7	Very low	30.9	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	78%	0.775	S	S	*	*			cis	-158.9	-177.2	-12.8	63.5	0	0	0	0	107.5
711	S	29.3	Very low	31.2	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	77%	0.771	S	S	*	*			cis	-153.9	-178.6	9.1	65.6	0	0	0	0	112.3
712	F	28.1	Very low	31.3	Very low	195 Å²	195	136.4 Å²	136.4	86%	0.855	78%	0.775	S	S	*	*			trans	-96.2	179.6	169.4	-74	-80.5	0	0	0	111.8
713	P	47.4	Very low	31.4	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	78%	0.775	S	S	*	*			cis	-127.9	-121.5	-23.7	25.4	1.6	0	0	0	113.6
714	P	55.4	Low	31.7	Very low	114 Å²	114	136.9 Å²	136.9	74%	0.74	78%	0.778	S	S	*	*				-135.6	-176.8	-111.1	45.5	-26.9	0	0	0	118.5
715	A	30.2	Very low	31.7	Very low	86 Å²	86	138.1 Å²	138.1	71%	0.711	78%	0.777	S	S	*	*			trans	93.2	141.6	137.9	0	0	0	0	0	123.2
716	S	30.1	Very low	31.8	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	78%	0.776	S	S	*	*			trans	79.9	116.3	145	-60.6	0	0	0	0	123.2
717	E	30.6	Very low	32.1	Very low	174 Å²	174	140 Å²	140	81%	0.813	78%	0.784	S	S	*	*				41.6	128.5	128.1	-58.6	-172.4	146.8	0	0	122.1
718	L	29.4	Very low	33.1	Very low	160 Å²	160	138.5 Å²	138.5	84%	0.838	78%	0.776	S	S	*	*				164.6	155.4	116	-83.4	165	0	0	0	107.7
719	N	28.2	Very low	33.4	Very low	123 Å²	123	141.3 Å²	141.3	66%	0.658	78%	0.777	S	S	*	*			cis	169.4	173.9	-23.3	-168.8	-7.3	0	0	0	105.2
720	L	30.6	Very low	34.1	Very low	132 Å²	132	141.1 Å²	141.1	69%	0.691	77%	0.773	S	S	*	*			trans	77.5	107.7	179.7	-68.5	88.8	0	0	0	115.4
721	Q	31.4	Very low	34.2	Very low	174 Å²	174	141.4 Å²	141.4	81%	0.813	77%	0.77	S	S	*	*				88.5	136.5	72.1	-79.7	170.9	-15.3	0	0	111.3
722	Q	30.9	Very low	34.1	Very low	179 Å²	179	144.4 Å²	144.4	84%	0.836	78%	0.776	S	S	*	*				-161.3	118	50.5	-173	170.2	16.4	0	0	109.1
723	D	32.6	Very low	34.1	Very low	126 Å²	126	142.6 Å²	142.6	67%	0.674	77%	0.768	S	S	*	*				79	116.3	86.9	-167.8	24.1	0	0	0	116.8
724	Q	32	Very low	33.3	Very low	192 Å²	192	143.7 Å²	143.7	90%	0.897	77%	0.772	S	S	*	*			trans	-161.5	138.1	140.4	-115.6	173.1	89.3	0	0	112.9
725	K	31.7	Very low	32	Very low	180 Å²	180	145.6 Å²	145.6	78%	0.783	77%	0.771	S	S	*	*			trans	-66.5	157	-178.5	-67.6	166.7	176.5	170	0	112.3
726	T	29.8	Very low	32	Very low	138 Å²	138	147 Å²	147	85%	0.847	78%	0.776	S	S	*	*				-170.3	156.7	64.3	-53.7	0	0	0	0	112
727	Q	32.4	Very low	32	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.813	78%	0.781	S	S	*	*			trans	-120.4	178.9	-177.8	-94.1	-159.2	20.3	0	0	111.6
728	P	47	Very low	32	Very low	98 Å²	98	150.8 Å²	150.8	64%	0.636	78%	0.775	S	S	*	*			cis	-138.4	158.9	-31.5	35	-16.5	0	0	0	116.3
729	I	35.8	Very low	32	Very low	147 Å²	147	151 Å²	151	75%	0.754	78%	0.777	S	S	*	*				18.1	131.2	129.9	-66.3	171.1	0	0	0	118.4	V731	I729-V731 HydrophobicContact CG2-CG2 4.33Å
730	P	43.5	Very low	32.2	Very low	120 Å²	120	149.6 Å²	149.6	78%	0.779	78%	0.777	S	S	*	*				-146.6	132.8	90.8	36.2	-16.7	0	0	0	120.3
731	V	31.2	Very low	32.3	Very low	122 Å²	122	149.9 Å²	149.9	74%	0.739	78%	0.779	S	S	*	*			trans	10.6	126.3	133.6	-173.4	0	0	0	0	118.5	I729	I729-V731 HydrophobicContact CG2-CG2 4.33Å
732	L	28.6	Very low	32.3	Very low	172 Å²	172	148.6 Å²	148.6	90%	0.901	77%	0.773	S	S	*	*			trans	-98.4	129.8	160.2	-85	165.8	0	0	0	111.3
733	K	28	Very low	32.4	Very low	158 Å²	158	146.8 Å²	146.8	69%	0.687	77%	0.765	S	S	*	*			trans	-126.9	124	173.4	-169.8	-166.9	-174.5	-151.4	0	106.9	E735	K733-E735 WeakPolarHBondContact CE-OE2 3.48Å; K733-E735 IonicContact NZ-OE1 3.68Å; K733-E735 IonicContact NZ-OE2 2.74Å; K733-E735 PolarHBondContact NZ-OE2 2.65Å
734	V	29.8	Very low	32.4	Very low	140 Å²	140	148.2 Å²	148.2	85%	0.848	77%	0.767	S	S	*	*			trans	-99.4	110	179.2	177.1	0	0	0	0	109.1
735	E	27.6	Very low	32.4	Very low	154 Å²	154	145.5 Å²	145.5	72%	0.72	76%	0.758	S	S	*	*			trans	-122.3	137.9	165.5	-87.9	176.7	115.2	0	0	109	K733	K733-E735 WeakPolarHBondContact CE-OE2 3.48Å; K733-E735 IonicContact NZ-OE1 3.68Å; K733-E735 IonicContact NZ-OE2 2.74Å; K733-E735 PolarHBondContact NZ-OE2 2.65Å
736	S	30.7	Very low	32.4	Very low	115 Å²	115	145.2 Å²	145.2	80%	0.804	77%	0.765	S	S	*	*			trans	-108	121.5	-172.2	46	0	0	0	0	112.3
737	R	29.5	Very low	32.6	Very low	232 Å²	232	145.7 Å²	145.7	88%	0.875	76%	0.757	S	S	*	*			trans	-164.2	151.2	166	-76.1	-165.8	-178.4	-172.6	-1	105.9
738	L	30.6	Very low	32.5	Very low	130 Å²	130	146 Å²	146	68%	0.681	76%	0.759	S	S	*	*			cis	-163.2	157.4	-6	-106.4	161.7	0	0	0	104.3
739	D	29.5	Very low	31.9	Very low	166 Å²	166	148.4 Å²	148.4	89%	0.888	76%	0.761	S	S	*	*			trans	-160.6	162.3	131	-114	-27	0	0	0	112.2
740	S	33.2	Very low	31.8	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	76%	0.763	S	S	*	*			trans	-140.4	140	-170	-62.9	0	0	0	0	112.1
741	D	32.8	Very low	31.3	Very low	137 Å²	137	146.6 Å²	146.6	73%	0.733	76%	0.76	S	S	*	*			trans	-146.6	125.5	154.1	-93.3	-43.5	0	0	0	106.8
742	Q	32.1	Very low	31.5	Very low	148 Å²	148	146.7 Å²	146.7	69%	0.692	76%	0.761	S	S	*	*				57.8	131	87	-65.2	-168.4	92	0	0	112.9
743	Q	32.6	Very low	31.9	Very low	141 Å²	141	143.5 Å²	143.5	66%	0.659	75%	0.753	S	S	*	*			cis	-168.8	167	6	-129.2	178.3	21.7	0	0	109.9
744	H	31.9	Very low	32.8	Very low	156 Å²	156	146.1 Å²	146.1	72%	0.722	78%	0.781	S	S	*	*			trans	55.5	116.3	165.6	-72.7	-85.3	0	0	0	118.9
745	N	31.8	Very low	32.9	Very low	134 Å²	134	146.4 Å²	146.4	72%	0.717	78%	0.778	S	S	*	*				66	102.4	56.2	-166.5	12.3	0	0	0	114.8
746	L	32.6	Very low	33.2	Very low	175 Å²	175	146 Å²	146	92%	0.916	78%	0.781	S	S	*	*			trans	-155.4	161.2	141.9	-108.2	174.8	0	0	0	111.1
747	Q	32.5	Very low	33.3	Very low	148 Å²	148	147.7 Å²	147.7	69%	0.692	78%	0.78	S	S	*	*			trans	-120.9	179.1	-162.2	-174.3	174.1	-8.6	0	0	110.9
748	E	30.9	Very low	33.5	Very low	179 Å²	179	142.8 Å²	142.8	84%	0.836	77%	0.774	S	S	*	*			trans	89.4	148.6	172.4	-52.9	-171.9	156.7	0	0	116.6
749	H	34.3	Very low	33.7	Very low	149 Å²	149	143.6 Å²	143.6	69%	0.69	78%	0.78	S	S	*	*			cis	161.3	138.6	-39	-101.9	-59	0	0	0	106.8
750	S	33.5	Very low	34	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	77%	0.773	S	S	*	*			trans	66.6	153.4	165	76.4	0	0	0	0	116.7
751	T	33.1	Very low	34.1	Very low	115 Å²	115	145.6 Å²	145.6	71%	0.706	78%	0.782	S	S	*	*			cis	-130.9	150.4	11.2	49.6	0	0	0	0	110.7
752	T	36.2	Very low	34.2	Very low	125 Å²	125	146.2 Å²	146.2	77%	0.767	79%	0.786	S	S	*	*				44.5	142.6	81.3	13.4	0	0	0	0	114.3
753	S	36.8	Very low	34.3	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	79%	0.793	S	S	*	*			cis	-157.1	167.6	18.3	43.7	0	0	0	0	108.9
754	V	45.9	Very low	34.5	Very low	212 Å²	212	146.5 Å²	146.5	100%	1.285	81%	0.806	S	S	*	*				-148.6	0	53.8	174.1	0	0	0	0	110.7

Retrieved 754 of 754 residues in 316.5 ms (Link to these results)

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