A0A096MHQ8_POEFO Loading...

2',3'-cyclic-nucleotide 3'-phosphodiesterase

Catalyzes the formation of 2'-nucleotide products from 2',3'-cyclic substrates. May participate in RNA metabolism in the myelinating cell, CNP is the third most abundant protein in central nervous system myelin.

AlphaFold DB , UniProt , Accession A0A096MHQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 662 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	30.1	Very low	34.2	Very low	236 Å²	236	153.1 Å²	153.1	100%	1.163	79%	0.785	S	S	*	*				0	135	0	-76.5	-171.6	168.7	0	0	106.7
2	D	32.8	Very low	35.5	Very low	162 Å²	162	150.4 Å²	150.4	87%	0.866	79%	0.785	S	S	*	*			trans	-93.3	159	-144.7	-60.3	-98.5	0	0	0	113.6
3	T	37.3	Very low	34.9	Very low	143 Å²	143	145.4 Å²	145.4	88%	0.877	78%	0.779	S	S	*	*			trans	-74.9	133	-178.7	44.8	0	0	0	0	112.5
4	D	40	Very low	34.5	Very low	122 Å²	122	143 Å²	143	65%	0.652	77%	0.772	S	S	*	*			trans	-157.3	130.2	162.9	-165.7	13.2	0	0	0	111.3
5	K	41.4	Very low	34.2	Very low	146 Å²	146	144.6 Å²	144.6	64%	0.635	77%	0.773	S	S	*	*			trans	66.7	150.4	170.1	-68.3	161.4	-174.2	70.1	0	116.7
6	R	37	Very low	33.8	Very low	186 Å²	186	144.1 Å²	144.1	70%	0.702	77%	0.77	S	S	*	*			cis	-166.6	156.6	-0.3	-123.9	169.6	158.4	159.3	-5.8	113.4
7	E	34.9	Very low	33.5	Very low	145 Å²	145	146.9 Å²	146.9	68%	0.678	78%	0.778	S	S	*	*			trans	34.5	145.8	131.2	-83.7	169.3	161.7	0	0	121.8
8	V	32.4	Very low	33.4	Very low	118 Å²	118	149.4 Å²	149.4	72%	0.715	78%	0.784	S	S	*	*			cis	-154.2	160.5	7.1	-157.1	0	0	0	0	109.2
9	L	28.1	Very low	33.1	Very low	161 Å²	161	151.2 Å²	151.2	84%	0.843	79%	0.788	S	S	*	*				166.2	89.1	126.1	-89.5	165.5	0	0	0	115.6
10	D	27.1	Very low	32.7	Very low	141 Å²	141	149.4 Å²	149.4	75%	0.754	78%	0.784	S	S	*	*				41.5	156.1	112.1	-142.6	-2.3	0	0	0	124.9
11	V	35.6	Very low	32.4	Very low	124 Å²	124	148 Å²	148	75%	0.752	78%	0.782	S	S	*	*			trans	94.2	135	161.7	-172.8	0	0	0	0	119.7
12	P	49.8	Very low	32.3	Very low	121 Å²	121	144.1 Å²	144.1	79%	0.786	76%	0.762	S	S	*	*			trans	-136.9	-171.5	-160.6	45.7	-26.7	0	0	0	117.3
13	A	27.2	Very low	32.1	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	75%	0.752	S	S	*	*			trans	-171.7	108.7	151.7	0	0	0	0	0	110.7
14	T	29.5	Very low	31.6	Very low	112 Å²	112	143.6 Å²	143.6	69%	0.687	74%	0.744	S	S	*	*				62	111.9	92	55.8	0	0	0	0	115.3
15	Q	30.1	Very low	31	Very low	167 Å²	167	146 Å²	146	78%	0.78	75%	0.752	S	S	*	*				69.9	146.1	78.6	-71.9	175.8	-14.4	0	0	113.3
16	N	28.3	Very low	30.4	Very low	137 Å²	137	144 Å²	144	73%	0.733	76%	0.763	S	S	*	*			cis	-165.3	173.1	-11.2	-116.2	22.2	0	0	0	107.7
17	E	27.4	Very low	30.1	Very low	192 Å²	192	143.1 Å²	143.1	90%	0.897	76%	0.764	S	S	*	*				159.6	159.6	124.8	-85.5	174.4	172.4	0	0	114.1
18	E	32.2	Very low	29.8	Very low	192 Å²	192	144.2 Å²	144.2	90%	0.897	77%	0.774	S	S	*	*			trans	-112.5	154.3	179.8	-60.5	167.6	92.6	0	0	109.4
19	E	26.9	Very low	29.7	Very low	183 Å²	183	145.4 Å²	145.4	86%	0.855	77%	0.772	S	S	*	*			trans	171	115.8	147.9	-94.7	-165.4	157.1	0	0	106.6
20	T	25.2	Very low	29.7	Very low	115 Å²	115	142.7 Å²	142.7	71%	0.706	77%	0.772	S	S	*	*				83.1	139.4	65.4	59.6	0	0	0	0	116.7
21	V	26.7	Very low	29.8	Very low	121 Å²	121	144.4 Å²	144.4	73%	0.733	78%	0.778	S	S	*	*			trans	85.7	129.2	148.2	159	0	0	0	0	120.3
22	M	28.8	Very low	29.5	Very low	153 Å²	153	147.9 Å²	147.9	75%	0.754	79%	0.786	S	S	*	*			trans	62.9	163.1	157.1	-79.1	164.1	68.2	0	0	119.2
23	E	27.9	Very low	28.4	Very low	142 Å²	142	150.8 Å²	150.8	66%	0.664	79%	0.789	S	S	*	*			cis	-165.6	157.5	-37.6	-119.8	178.2	164	0	0	107.9
24	Q	27.1	Very low	28.6	Very low	152 Å²	152	152.9 Å²	152.9	71%	0.71	80%	0.796	S	S	*	*			trans	43.2	140.6	150.6	-73.5	-172.7	-41.4	0	0	124.9
25	E	27.8	Very low	28.6	Very low	172 Å²	172	154.1 Å²	154.1	80%	0.804	80%	0.803	S	S	*	*			trans	64.2	114.8	141.1	-69.6	-177.8	-169.3	0	0	122.7
26	A	28.2	Very low	28.8	Very low	106 Å²	106	155 Å²	155	88%	0.876	81%	0.807	S	S	*	*				-150.7	109.2	128.9	0	0	0	0	0	110.8
27	K	30.2	Very low	29.1	Very low	166 Å²	166	154 Å²	154	72%	0.722	81%	0.809	S	S	*	*			trans	-85.9	141.9	171.3	177.4	-168.6	175.4	-163.1	0	109.9	E29	K27-E29 WeakPolarHBondContact CE-OE1 3.18Å; K27-E29 IonicContact NZ-OE1 2.71Å; K27-E29 PolarHBondContact NZ-OE1 2.9Å
28	L	29.8	Very low	29.2	Very low	169 Å²	169	153.7 Å²	153.7	89%	0.885	81%	0.807	S	S	*	*			trans	-153.5	152.8	154.5	-111.8	171.8	0	0	0	111.6
29	E	29.3	Very low	29.3	Very low	143 Å²	143	152.2 Å²	152.2	67%	0.668	81%	0.805	S	S	*	*			trans	-117.7	148.2	-166.6	-60.6	156.2	150.2	0	0	111.1	K27	K27-E29 WeakPolarHBondContact CE-OE1 3.18Å; K27-E29 IonicContact NZ-OE1 2.71Å; K27-E29 PolarHBondContact NZ-OE1 2.9Å
30	A	27.9	Very low	29.8	Very low	103 Å²	103	148.9 Å²	148.9	85%	0.851	80%	0.799	S	S	*	*			trans	-167.1	140.6	147.5	0	0	0	0	0	111.3
31	M	30.5	Very low	30.5	Very low	177 Å²	177	149.6 Å²	149.6	87%	0.872	81%	0.806	S	S	*	*			trans	-89.8	152.6	163.4	-68.1	149.8	49.2	0	0	109.7
32	E	27.8	Very low	30.7	Very low	197 Å²	197	148.8 Å²	148.8	92%	0.921	81%	0.812	S	S	*	*				-171	166.5	117.8	-105.1	174.7	-174.6	0	0	111.8
33	Q	27.7	Very low	30.8	Very low	182 Å²	182	146.1 Å²	146.1	85%	0.85	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-89.8	154.3	-171.1	-69.2	176.4	-20.2	0	0	112.9
34	P	31.7	Very low	30.9	Very low	130 Å²	130	145.4 Å²	145.4	84%	0.844	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-79.1	136.8	174.9	32.4	-34	0	0	0	112.2
35	T	28.1	Very low	31	Very low	138 Å²	138	146.1 Å²	146.1	85%	0.847	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-101.7	149.6	166.9	46.9	0	0	0	0	112
36	E	34.3	Very low	31.1	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-65.8	152.9	176.3	-178.2	178.5	-138.9	0	0	113.5
37	P	36.1	Very low	31.2	Very low	118 Å²	118	146.3 Å²	146.3	77%	0.766	81%	0.813	S	S	*	*			trans	-134.6	155.1	148.6	37.7	-25.7	0	0	0	115.2
38	E	29	Very low	30.9	Very low	185 Å²	185	144.3 Å²	144.3	86%	0.864	81%	0.81	S	S	*	*			trans	-79.5	172.8	-174.4	-60.3	174.5	87.2	0	0	116.1
39	N	33.3	Very low	30.9	Very low	160 Å²	160	143.6 Å²	143.6	86%	0.856	80%	0.803	S	S	*	*			trans	-55.5	152.7	169.8	-75.2	-62.6	0	0	0	114.5
40	P	38.2	Very low	30.8	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	80%	0.802	S	S	*	*				-149.2	-175.2	120.8	40	-24.8	0	0	0	113.6
41	P	40.9	Very low	30.6	Very low	130 Å²	130	144 Å²	144	84%	0.844	80%	0.798	S	S	*	*				-129.6	-169.1	-57.1	40.2	-24.6	0	0	0	111.7
42	A	30.9	Very low	30.3	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	79%	0.788	S	S	*	*			trans	-122.4	150.9	-176.1	0	0	0	0	0	115.7
43	A	31.1	Very low	30.1	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	79%	0.787	S	S	*	*			trans	-165.4	161.8	158.1	0	0	0	0	0	107.6
44	V	28.5	Very low	30	Very low	127 Å²	127	137.6 Å²	137.6	77%	0.77	78%	0.782	S	S	*	*			cis	-145.4	157.4	27	-173.2	0	0	0	0	111.5
45	E	30.2	Very low	29.7	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	78%	0.781	S	S	*	*			trans	-33.9	166.5	162.9	-60.9	159.9	163.9	0	0	117.2
46	E	30.3	Very low	29.7	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	78%	0.778	S	S	*	*			cis	-161.7	178.2	-10.3	-111.5	-172.1	164.7	0	0	106.7
47	V	28.8	Very low	29.2	Very low	115 Å²	115	138.6 Å²	138.6	70%	0.697	78%	0.775	S	S	*	*				179.7	142.7	70.4	164.3	0	0	0	0	109.8
48	D	25	Very low	28.7	Very low	124 Å²	124	141.8 Å²	141.8	66%	0.663	78%	0.78	S	S	*	*			trans	51	129.6	162.6	-66.1	-20.2	0	0	0	122.3
49	Q	30.1	Very low	28.6	Very low	154 Å²	154	141.9 Å²	141.9	72%	0.72	78%	0.777	S	S	*	*			cis	80.5	142.7	43	-64.6	-171.7	95.9	0	0	113.8
50	L	27	Very low	28.7	Very low	126 Å²	126	140 Å²	140	66%	0.66	77%	0.773	S	S	*	*			cis	-163.4	-169.9	-1.8	-123.8	177.8	0	0	0	111.6	V52	L50-V52 HydrophobicContact CD2-CG2 4Å
51	V	23.6	Very low	28.4	Very low	127 Å²	127	140.1 Å²	140.1	77%	0.77	77%	0.772	S	S	*	*			trans	79.9	104.9	164.6	-165.2	0	0	0	0	115.2
52	V	24.6	Very low	27.5	Very low	108 Å²	108	139.5 Å²	139.5	66%	0.655	77%	0.766	S	S	*	*			cis	80.5	105.8	32.2	-171.1	0	0	0	0	115.6	L50	L50-V52 HydrophobicContact CD2-CG2 4Å
53	K	22.7	Very low	27.5	Very low	208 Å²	208	140.7 Å²	140.7	90%	0.904	76%	0.762	S	S	*	*				-167.9	157	125.5	-109.3	172	-175.3	178.9	0	113.5
54	S	25.3	Very low	27.1	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	76%	0.759	S	S	*	*			trans	-121.2	150.9	-170.9	-33.1	0	0	0	0	112
55	Q	26.6	Very low	27.1	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	77%	0.765	S	S	*	*			trans	-178.3	118.8	148.9	-101.8	166.3	-19.4	0	0	106.2
56	E	27.3	Very low	26.8	Very low	167 Å²	167	143.4 Å²	143.4	78%	0.78	76%	0.763	S	S	*	*				98	157.4	55.7	-86.1	-163.6	124.2	0	0	113
57	T	24.7	Very low	26.5	Very low	131 Å²	131	141 Å²	141	80%	0.804	76%	0.76	S	S	*	*			trans	69.5	134.3	-166.2	68.5	0	0	0	0	114.6
58	E	25.2	Very low	26.6	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	77%	0.768	S	S	*	*			cis	-148.7	165.6	-5.7	-130.8	169.5	-165.1	0	0	113.1
59	K	26.2	Very low	26.8	Very low	188 Å²	188	146.1 Å²	146.1	82%	0.817	77%	0.773	S	S	*	*			trans	-121.9	154.3	175.9	-113.3	-179.7	-175.5	-179.8	0	106.6
60	P	35.9	Very low	26.6	Very low	119 Å²	119	144.5 Å²	144.5	77%	0.773	77%	0.769	S	S	*	*				-151.6	176.8	71.7	40.4	-20.8	0	0	0	117.2
61	V	31.2	Very low	26.7	Very low	116 Å²	116	145.5 Å²	145.5	70%	0.703	77%	0.768	S	S	*	*			trans	-83	144.1	164.4	173.4	0	0	0	0	109.4	V63	V61-V63 HydrophobicContact CG1-CG2 4.31Å
62	V	22.9	Very low	27	Very low	117 Å²	117	146.6 Å²	146.6	71%	0.709	76%	0.764	S	S	*	*			trans	-130.2	131.4	155.6	179	0	0	0	0	108.7	E64	V62-E64 HydrophobicContact CG1-CB 4.32Å
63	V	31.4	Very low	27.1	Very low	131 Å²	131	146.4 Å²	146.4	79%	0.794	77%	0.768	S	S	*	*			trans	-115	126.4	162.8	172.7	0	0	0	0	105.5	V61	V61-V63 HydrophobicContact CG1-CG2 4.31Å
64	E	22.9	Very low	27.3	Very low	158 Å²	158	142.6 Å²	142.6	74%	0.738	76%	0.758	S	S	*	*			trans	-148.7	121.9	172.4	-126.7	175.1	-176.7	0	0	112.7	V62 V66	V62-E64 HydrophobicContact CG1-CB 4.32Å; E64-V66 HydrophobicContact CG-CG2 4.08Å
65	N	27	Very low	27.5	Very low	164 Å²	164	143.6 Å²	143.6	88%	0.877	75%	0.752	S	S	*	*			trans	-99.5	118.2	159	-83.3	-25.3	0	0	0	107
66	V	24.6	Very low	27.6	Very low	124 Å²	124	143.4 Å²	143.4	75%	0.752	75%	0.751	S	S	*	*			trans	-137.2	153.4	166.2	-174	0	0	0	0	109.6	E64	E64-V66 HydrophobicContact CG-CG2 4.08Å
67	T	24.5	Very low	27.5	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	75%	0.752	S	S	*	*			trans	-123.6	170.9	-158.1	-27.3	0	0	0	0	112.6
68	Q	30.3	Very low	28.5	Very low	182 Å²	182	142.3 Å²	142.3	85%	0.85	74%	0.742	S	S	*	*			trans	73.1	157.9	162.6	-64.3	173.6	-51.9	0	0	116.1
69	E	28.8	Very low	28.6	Very low	165 Å²	165	140.7 Å²	140.7	77%	0.771	73%	0.734	S	S	*	*			cis	-115.5	177.9	6.8	-57.1	-172.5	128.7	0	0	111.3
70	N	26.9	Very low	28.9	Very low	119 Å²	119	139 Å²	139	64%	0.636	73%	0.729	S	S	*	*			cis	-159.2	175.7	32.6	-132.1	-57.4	0	0	0	114.9
71	K	28.5	Very low	28.5	Very low	147 Å²	147	142 Å²	142	64%	0.639	73%	0.733	S	S	*	*			trans	-33.9	155.3	175.8	-70.6	166.9	153.3	-75.8	0	117.3
72	E	28.6	Very low	28.3	Very low	150 Å²	150	141.6 Å²	141.6	70%	0.701	74%	0.735	S	S	*	*			cis	-169.3	168.4	-2.8	-111.7	157.9	174.8	0	0	107.1
73	S	28.4	Very low	28.8	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	74%	0.74	S	S	*	*			cis	-156.5	-154.1	5.5	42.8	0	0	0	0	107.1
74	N	27.1	Very low	29.6	Very low	129 Å²	129	140.7 Å²	140.7	69%	0.69	73%	0.732	S	S	*	*			cis	-162.2	172.5	9	-161.1	19.1	0	0	0	112.9
75	M	29.5	Very low	29.9	Very low	128 Å²	128	141.6 Å²	141.6	63%	0.631	74%	0.736	S	S	*	*			trans	22.7	131.9	155.7	-80.6	164.3	66.9	0	0	124.8
76	E	27.2	Very low	30	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	73%	0.727	S	S	*	*			trans	89.4	110.3	135.9	-71.7	174.2	164.2	0	0	123.2
77	K	26.5	Very low	30.1	Very low	183 Å²	183	137 Å²	137	80%	0.796	73%	0.733	S	S	*	*			trans	-84.7	178.5	144.8	-126	-151.1	171	-167	0	108.3
78	P	45.5	Very low	30.3	Very low	92 Å²	92	135.7 Å²	135.7	60%	0.597	74%	0.735	S	S	*	*			cis	-125.4	-161.1	20.6	39.5	-18	0	0	0	112.6
79	E	27.6	Very low	31.4	Very low	149 Å²	149	132.6 Å²	132.6	70%	0.696	73%	0.73	S	S	*	*			cis	-158.3	161.2	16.7	-148	128	-110.3	0	0	113.2
80	E	31.1	Very low	31.5	Very low	152 Å²	152	131.2 Å²	131.2	71%	0.71	73%	0.733	S	S	*	*			trans	19.4	124.6	158.3	-72.9	169.1	-174.2	0	0	122.9
81	E	28.6	Very low	31.5	Very low	184 Å²	184	133.7 Å²	133.7	86%	0.86	74%	0.741	S	S	*	*				77.8	151.6	92.5	-67.1	-160.4	167.5	0	0	115.1
82	S	26.5	Very low	31.6	Very low	106 Å²	106	131.6 Å²	131.6	74%	0.741	75%	0.745	S	S	*	*			cis	-149.2	167.5	18.2	61.5	0	0	0	0	114.6
83	V	33.4	Very low	31.6	Very low	133 Å²	133	128.7 Å²	128.7	81%	0.806	75%	0.746	S	S	*	*			trans	-117.5	156.6	168.4	-160.1	0	0	0	0	104.9
84	P	47.8	Very low	31.6	Very low	96 Å²	96	132.7 Å²	132.7	62%	0.623	75%	0.753	S	S	*	*			cis	-162.1	-179.5	44.2	46.8	-23.8	0	0	0	121.3
85	H	28.6	Very low	31.8	Very low	178 Å²	178	130.5 Å²	130.5	82%	0.824	75%	0.748	S	S	*	*			trans	60.5	156.1	141.6	-71.5	-17.6	0	0	0	121.7
86	A	29.7	Very low	31.9	Very low	84 Å²	84	129.4 Å²	129.4	69%	0.694	75%	0.753	S	S	*	*			cis	-170	174.7	-19.5	0	0	0	0	0	110.9
87	A	28.1	Very low	31.9	Very low	107 Å²	107	127.1 Å²	127.1	88%	0.884	75%	0.751	S	S	*	*			trans	76.6	153.5	162.7	0	0	0	0	0	119.2
88	A	28.3	Very low	32.1	Very low	91 Å²	91	127.1 Å²	127.1	75%	0.752	75%	0.75	S	S	*	*			trans	-130.9	-164.2	179.4	0	0	0	0	0	107.6
89	P	52.5	Low	31.2	Very low	117 Å²	117	128.9 Å²	128.9	76%	0.76	76%	0.759	S	S	*	*			cis	-124.8	-159.4	-16.7	40.9	-23.7	0	0	0	111.1
90	V	30.2	Very low	31.3	Very low	136 Å²	136	127.2 Å²	127.2	82%	0.824	76%	0.764	S	S	*	*			trans	162.7	161.3	136.3	157.9	0	0	0	0	111
91	E	28.3	Very low	31.2	Very low	171 Å²	171	126.9 Å²	126.9	80%	0.799	77%	0.767	S	S	*	*			trans	-91.9	-171.2	-161.8	-45.4	169	117	0	0	116
92	S	29.8	Very low	32.1	Very low	103 Å²	103	123.8 Å²	123.8	72%	0.72	76%	0.763	S	S	*	*			trans	98	97.3	144.1	-69	0	0	0	0	120.4
93	A	28.2	Very low	32.3	Very low	89 Å²	89	122.7 Å²	122.7	74%	0.736	76%	0.76	S	S	*	*				64.1	140.9	107	0	0	0	0	0	122.3
94	E	28.7	Very low	32.1	Very low	187 Å²	187	120.8 Å²	120.8	87%	0.874	76%	0.758	S	S	*	*			trans	62	162	159.1	-65.3	-162.2	130.7	0	0	119.6
95	S	30.7	Very low	31.2	Very low	84 Å²	84	122.3 Å²	122.3	59%	0.587	77%	0.766	S	S	*	*			cis	-161.3	167.7	-43	70.2	0	0	0	0	110
96	S	33	Very low	31.2	Very low	104 Å²	104	121 Å²	121	73%	0.727	76%	0.764	S	S	*	*			trans	75	141.3	142.6	-59.5	0	0	0	0	123
97	V	27.8	Very low	31.1	Very low	124 Å²	124	124.4 Å²	124.4	75%	0.752	77%	0.766	S	S	*	*			trans	91.8	106.1	137.1	161.3	0	0	0	0	121.9
98	K	29.3	Very low	31.2	Very low	182 Å²	182	127 Å²	127	79%	0.791	76%	0.759	S	S	*	*			trans	78.6	112.9	137.7	-76.4	-178.8	-177.5	175.4	0	123.7
99	V	26.8	Very low	31.1	Very low	129 Å²	129	130.4 Å²	130.4	78%	0.782	76%	0.76	S	S	*	*				49.8	117.2	109.9	179.2	0	0	0	0	118.7
100	S	29.1	Very low	30.7	Very low	114 Å²	114	131 Å²	131	80%	0.797	76%	0.764	S	S	*	*				-169.1	130.8	116	-74.8	0	0	0	0	112.3
101	D	30.1	Very low	30.9	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	76%	0.755	S	S	*	*			trans	-88.9	151.7	158.1	-157.6	-22.6	0	0	0	107.3	A103	D101-A103 PolarHBondContact OD1-N 3.46Å
102	P	46.9	Very low	31.7	Very low	120 Å²	120	126.8 Å²	126.8	78%	0.779	75%	0.752	S	S	*	*				-152.4	126.9	96.9	35.9	-15.6	0	0	0	117.2
103	A	30.3	Very low	31.8	Very low	82 Å²	82	129.5 Å²	129.5	68%	0.678	75%	0.753	S	S	*	*				69	115.2	123	0	0	0	0	0	122.9	D101	D101-A103 PolarHBondContact OD1-N 3.46Å
104	A	30	Very low	31.8	Very low	93 Å²	93	130.5 Å²	130.5	77%	0.769	75%	0.746	S	S	*	*				76.9	129.8	128.5	0	0	0	0	0	122.4
105	V	28.9	Very low	31.9	Very low	128 Å²	128	129 Å²	129	78%	0.776	74%	0.742	S	S	*	*				177	129.5	99.3	154.9	0	0	0	0	111.9
106	L	28.3	Very low	31.7	Very low	152 Å²	152	129.4 Å²	129.4	80%	0.796	75%	0.751	S	S	*	*			trans	32.7	136.2	155.2	-62.8	169.9	0	0	0	123.1
107	E	27.1	Very low	31.4	Very low	155 Å²	155	132.9 Å²	132.9	72%	0.724	76%	0.756	S	S	*	*				-167.7	115	106.9	-91.7	-86.1	92.2	0	0	112.2
108	Q	29.8	Very low	32.7	Very low	160 Å²	160	131.5 Å²	131.5	75%	0.748	75%	0.749	S	S	*	*			trans	50.7	135.7	144.2	-53	-173.1	46.4	0	0	124.5
109	Q	27.9	Very low	32.6	Very low	164 Å²	164	130 Å²	130	77%	0.766	76%	0.755	S	S	*	*			trans	-99.7	-179.9	162	-60.4	179.6	-42.9	0	0	110.8
110	P	42.8	Very low	32.9	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	75%	0.753	S	S	*	*				-141.8	169	90.3	38.7	-24.7	0	0	0	115.7
111	V	34.3	Very low	33	Very low	105 Å²	105	131.8 Å²	131.8	64%	0.636	75%	0.75	S	S	*	*			trans	-137.3	155.3	179.7	-174.1	0	0	0	0	109
112	P	45.9	Very low	32.9	Very low	113 Å²	113	133.6 Å²	133.6	73%	0.734	75%	0.754	S	S	*	*			trans	-118.5	120.5	147.4	32.1	-20.4	0	0	0	110.3
113	E	31.3	Very low	32.1	Very low	161 Å²	161	136 Å²	136	75%	0.752	76%	0.76	S	S	*	*				71.9	134.4	88.6	-77	-168.2	-168.4	0	0	113.7
114	N	29.3	Very low	32.1	Very low	110 Å²	110	137.1 Å²	137.1	59%	0.588	77%	0.769	S	S	*	*			cis	-158.7	147.5	19.1	-115.2	-32	0	0	0	114.1
115	I	29.9	Very low	32.1	Very low	154 Å²	154	141.4 Å²	141.4	79%	0.79	77%	0.773	S	S	*	*			trans	52.4	134.1	135.8	-69.3	168	0	0	0	119.2
116	A	26.7	Very low	32	Very low	93 Å²	93	142.4 Å²	142.4	77%	0.769	78%	0.78	S	S	*	*			cis	-148	171.6	32.4	0	0	0	0	0	116.3
117	E	27.2	Very low	32	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	78%	0.782	S	S	*	*			trans	-133.3	-167.2	177.9	-98.2	-158.9	140.9	0	0	109.1
118	P	54.4	Low	32.7	Very low	94 Å²	94	140.1 Å²	140.1	61%	0.61	79%	0.785	S	S	*	*				-136.6	-177.8	-57.8	41.2	-25.2	0	0	0	113
119	V	27.5	Very low	32.6	Very low	152 Å²	152	135.6 Å²	135.6	92%	0.921	78%	0.781	S	S	*	*			trans	-142.9	150.1	145.1	-173.9	0	0	0	0	108.5
120	Q	33.8	Very low	33.2	Very low	158 Å²	158	134.3 Å²	134.3	74%	0.738	79%	0.787	S	S	*	*			trans	-149.7	166.9	-163.6	-158.8	-172.6	69.2	0	0	112.8
121	V	31.3	Very low	32.6	Very low	122 Å²	122	136.8 Å²	136.8	74%	0.739	79%	0.787	S	S	*	*			trans	65.3	151.6	165.7	-104	0	0	0	0	117.1
122	Q	28.3	Very low	33.4	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	79%	0.788	S	S	*	*			cis	-139.7	165.9	21	-64.4	-178.9	2.5	0	0	115
123	L	29.4	Very low	32.5	Very low	172 Å²	172	140.4 Å²	140.4	90%	0.901	80%	0.796	S	S	*	*			trans	-106.2	154.7	166.4	-107.3	77	0	0	0	111.2
124	A	30	Very low	32.3	Very low	105 Å²	105	142.2 Å²	142.2	87%	0.868	80%	0.801	S	S	*	*			trans	-170	152.7	145.2	0	0	0	0	0	112.1
125	E	30.2	Very low	32.9	Very low	183 Å²	183	142.8 Å²	142.8	86%	0.855	81%	0.811	S	S	*	*			trans	-100.6	159.5	-176.7	-58.2	160.9	86.3	0	0	113.7
126	T	26.2	Very low	32.8	Very low	149 Å²	149	139.6 Å²	139.6	91%	0.914	81%	0.808	S	S	*	*				-173.2	138.3	129.9	12.7	0	0	0	0	113.9
127	T	29.8	Very low	32.8	Very low	137 Å²	137	144 Å²	144	84%	0.84	81%	0.812	S	S	*	*			trans	-98.7	176.3	168.2	24.2	0	0	0	0	110.5
128	P	40.3	Very low	32.9	Very low	121 Å²	121	140.9 Å²	140.9	79%	0.786	81%	0.81	S	S	*	*			cis	-135.7	-173.9	19.7	42.9	-23.7	0	0	0	117
129	G	27.8	Very low	31.7	Very low	65 Å²	65	143.6 Å²	143.6	67%	0.67	82%	0.819	S	S	*	*			trans	-79.7	-170.4	174.3	0	0	0	0	0	115.1
130	P	40.6	Very low	32.1	Very low	138 Å²	138	142.4 Å²	142.4	90%	0.896	82%	0.815	S	S	*	*				-145.1	-179.4	65.9	41.9	-24.5	0	0	0	117.8
131	E	31.2	Very low	31.9	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	82%	0.815	S	S	*	*			trans	-84.6	-170.1	170.3	-116.7	-168.5	132.5	0	0	112.8
132	P	50.6	Low	31.7	Very low	100 Å²	100	146.1 Å²	146.1	65%	0.649	82%	0.824	S	S	*	*			cis	-133.9	-175.5	-26.6	37.6	-20.7	0	0	0	113.4
133	E	25.9	Very low	31.7	Very low	194 Å²	194	146 Å²	146	91%	0.907	82%	0.82	S	S	*	*			trans	-170.1	162.1	139.2	-112.4	172.3	-165	0	0	115.2
134	K	28.1	Very low	31.3	Very low	199 Å²	199	144.8 Å²	144.8	87%	0.865	82%	0.82	S	S	*	*			trans	-141.7	179.5	-176.6	-105.8	-175.3	-178.3	177.4	0	109
135	P	42.9	Very low	31.3	Very low	123 Å²	123	146.4 Å²	146.4	80%	0.799	82%	0.819	S	S	*	*			cis	-120	-124.9	11.1	27.7	-1.5	0	0	0	113.3
136	A	27	Very low	31.8	Very low	86 Å²	86	143.7 Å²	143.7	71%	0.711	82%	0.817	S	S	*	*			cis	-162.5	-173.4	9.9	0	0	0	0	0	115.6
137	E	26.7	Very low	31.7	Very low	185 Å²	185	146 Å²	146	86%	0.864	82%	0.815	S	S	*	*			trans	-58	172.2	174.7	-74	173.7	116.1	0	0	117.4
138	S	28.3	Very low	32.4	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	81%	0.809	S	S	*	*			cis	-161.3	179.5	-1.6	37.9	0	0	0	0	112.2
139	L	29.6	Very low	31.8	Very low	151 Å²	151	143.3 Å²	143.3	79%	0.791	81%	0.807	S	S	*	*			trans	-81.7	164.8	178	-72.4	169.1	0	0	0	114.6
140	P	35.6	Very low	31.8	Very low	128 Å²	128	148.1 Å²	148.1	83%	0.831	81%	0.812	S	S	*	*				-144.8	163.8	104.6	39	-25.4	0	0	0	116.4
141	Q	30.4	Very low	31	Very low	158 Å²	158	147.2 Å²	147.2	74%	0.738	80%	0.804	S	S	*	*			trans	-93.2	161.2	173.9	-60.4	177.7	-5.7	0	0	113.2
142	Q	26.7	Very low	30.9	Very low	199 Å²	199	145.5 Å²	145.5	93%	0.93	80%	0.8	S	S	*	*			trans	-140.4	153.9	149.3	-77.5	-159.2	-3.8	0	0	112.8
143	K	27.7	Very low	30.4	Very low	180 Å²	180	146.9 Å²	146.9	78%	0.783	81%	0.809	S	S	*	*			trans	-119.2	149.5	179.6	-60.7	174.1	177.7	177.1	0	110.6
144	T	22.5	Very low	30.6	Very low	147 Å²	147	146.1 Å²	146.1	90%	0.902	81%	0.805	S	S	*	*			trans	-168.4	156.3	145.4	3.4	0	0	0	0	112.9
145	V	29.7	Very low	30.8	Very low	138 Å²	138	142.3 Å²	142.3	84%	0.836	80%	0.804	S	S	*	*			trans	-152	131.6	-174.3	165.7	0	0	0	0	108.8
146	P	39.9	Very low	30.2	Very low	126 Å²	126	140.6 Å²	140.6	82%	0.818	80%	0.8	S	S	*	*				-153.6	173.6	116.6	41.3	-23.6	0	0	0	117.2
147	K	25.2	Very low	30.5	Very low	199 Å²	199	142.9 Å²	142.9	87%	0.865	81%	0.805	S	S	*	*			trans	-83.7	-169.3	159	-118.6	-171.6	176.9	177.8	0	109.6
148	P	44.8	Very low	30.5	Very low	111 Å²	111	143 Å²	143	72%	0.721	81%	0.805	S	S	*	*			cis	-138	-172.2	6.9	43.2	-24.3	0	0	0	117.1
149	A	27	Very low	30.4	Very low	89 Å²	89	147 Å²	147	74%	0.736	81%	0.808	S	S	*	*			trans	72.6	148.1	163.3	0	0	0	0	0	116.3
150	E	26.8	Very low	31.4	Very low	167 Å²	167	145 Å²	145	78%	0.78	81%	0.805	S	S	*	*			cis	-162.3	-178.9	0.3	-134.4	-167.9	-109.4	0	0	108.3
151	T	25.3	Very low	30.9	Very low	119 Å²	119	146.9 Å²	146.9	73%	0.73	81%	0.806	S	S	*	*			cis	-147.9	-178.8	6.9	-41.8	0	0	0	0	110
152	L	28.8	Very low	30.7	Very low	144 Å²	144	148 Å²	148	75%	0.754	81%	0.811	S	S	*	*			trans	-98.8	169.3	172.7	-108.4	171	0	0	0	111.6
153	P	40.3	Very low	30.6	Very low	129 Å²	129	145.4 Å²	145.4	84%	0.838	81%	0.809	S	S	*	*				-153.1	-177.4	70.5	41.8	-19.8	0	0	0	118.3
154	E	29.4	Very low	30.6	Very low	178 Å²	178	145.4 Å²	145.4	83%	0.832	81%	0.812	S	S	*	*			trans	-141.9	153.2	-172.4	-179.7	-175.1	-147.4	0	0	111.1
155	S	31.4	Very low	32.1	Very low	119 Å²	119	142.7 Å²	142.7	83%	0.832	80%	0.797	S	S	*	*			trans	168	156.4	161.8	32.6	0	0	0	0	111.8
156	A	31.5	Very low	32.2	Very low	87 Å²	87	142.3 Å²	142.3	72%	0.719	80%	0.797	S	S	*	*			cis	-163.1	140.8	-17.5	0	0	0	0	0	112.7
157	V	33	Very low	31.6	Very low	134 Å²	134	141.2 Å²	141.2	81%	0.812	79%	0.793	S	S	*	*			trans	24.4	129.2	143	-151.7	0	0	0	0	122.1
158	E	25.8	Very low	31.7	Very low	187 Å²	187	139.6 Å²	139.6	87%	0.874	79%	0.786	S	S	*	*				175	174.7	114.9	-92	-166.8	169	0	0	115.9
159	K	26.1	Very low	30.9	Very low	196 Å²	196	140.9 Å²	140.9	85%	0.852	78%	0.782	S	S	*	*			trans	-138.5	-174.7	-169.4	-88.9	-174	177.4	-178.4	0	109.3
160	P	51.6	Low	30.8	Very low	111 Å²	111	143.2 Å²	143.2	72%	0.721	79%	0.787	S	S	*	*			cis	-125.8	-165.3	-48.6	39.4	-23.4	0	0	0	110.8
161	I	24.7	Very low	30.8	Very low	167 Å²	167	143.8 Å²	143.8	86%	0.856	79%	0.79	S	S	*	*			trans	-171.4	153.6	140.6	-105.2	159.7	0	0	0	111.8
162	E	26.7	Very low	31.4	Very low	180 Å²	180	143 Å²	143	84%	0.841	79%	0.787	S	S	*	*			trans	-91.8	152	178.5	-58.2	163	93.1	0	0	113.4
163	T	24.6	Very low	31.4	Very low	145 Å²	145	143.7 Å²	143.7	89%	0.89	79%	0.786	S	S	*	*				-161.2	152.7	127.5	-6.3	0	0	0	0	111.3
164	Q	27.1	Very low	30.9	Very low	180 Å²	180	144.7 Å²	144.7	84%	0.841	78%	0.78	S	S	*	*			trans	-123.8	-171.1	178.7	-141.3	-162.7	60.6	0	0	110.6
165	P	55.3	Low	30.7	Very low	90 Å²	90	140.8 Å²	140.8	58%	0.584	78%	0.778	S	S	*	*				-101.6	-164.5	-122.9	41.7	-26.6	0	0	0	113.3
166	P	31.4	Very low	30.5	Very low	131 Å²	131	143 Å²	143	85%	0.851	77%	0.772	S	S	*	*				-131.5	160.1	129	37.6	-30.2	0	0	0	114.4
167	S	26.8	Very low	30.1	Very low	103 Å²	103	145 Å²	145	72%	0.72	78%	0.776	S	S	*	*			trans	-107.3	154.7	-173.3	-36.4	0	0	0	0	112.7
168	K	27.3	Very low	30	Very low	164 Å²	164	145.4 Å²	145.4	71%	0.713	77%	0.769	S	S	*	*				165.1	156	118.3	-95.4	175.1	160.7	-75	0	115
169	E	28.5	Very low	30.1	Very low	139 Å²	139	143.6 Å²	143.6	65%	0.65	77%	0.766	S	S	*	*			trans	1.2	142.7	153.6	-57.4	129.3	176	0	0	117.9
170	T	23.7	Very low	30.2	Very low	138 Å²	138	142.4 Å²	142.4	85%	0.847	76%	0.763	S	S	*	*				-170.4	160.4	60.2	-39.4	0	0	0	0	111.7
171	E	26.7	Very low	29	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	77%	0.766	S	S	*	*			trans	-72.3	-173.8	159.5	-72.3	-168.8	117.7	0	0	111.8
172	P	39.7	Very low	29.7	Very low	101 Å²	101	142.4 Å²	142.4	66%	0.656	76%	0.762	S	S	*	*			cis	-142.3	-177.6	7.1	45.6	-27.1	0	0	0	117.8
173	E	26.8	Very low	29.6	Very low	159 Å²	159	140.3 Å²	140.3	74%	0.743	76%	0.762	S	S	*	*			trans	57.9	159.9	148.4	-78.3	-170	121.5	0	0	120.7
174	Q	30	Very low	29.7	Very low	151 Å²	151	137.7 Å²	137.7	71%	0.706	75%	0.754	S	S	*	*			cis	-159.2	154.4	-4.2	-134.7	-172.9	52.7	0	0	109.5
175	A	25.5	Very low	29.8	Very low	96 Å²	96	135 Å²	135	79%	0.793	75%	0.75	S	S	*	*			trans	-179.8	113.3	141.8	0	0	0	0	0	115.3
176	K	27	Very low	28.4	Very low	164 Å²	164	138.7 Å²	138.7	71%	0.713	76%	0.759	S	S	*	*			trans	8.8	150.6	145.9	-61.1	-163.2	170.4	-146	0	121.5
177	T	24.3	Very low	28	Very low	130 Å²	130	138 Å²	138	80%	0.798	75%	0.753	S	S	*	*			cis	-144.6	157.9	40.1	48.1	0	0	0	0	116.6
178	E	29.6	Very low	27.9	Very low	142 Å²	142	141.2 Å²	141.2	66%	0.664	75%	0.754	S	S	*	*			trans	-69.8	174.1	162.3	-48.7	102.5	140.5	0	0	112
179	D	28.2	Very low	27.9	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	76%	0.756	S	S	*	*			cis	-152.3	-166.2	-1.3	-134.6	-27.3	0	0	0	107.2
180	E	28.5	Very low	27.8	Very low	170 Å²	170	140 Å²	140	79%	0.794	75%	0.754	S	S	*	*			cis	-155.7	-171.6	10.1	-150.5	-173.2	163	0	0	109.2
181	M	27.2	Very low	27.8	Very low	162 Å²	162	140.1 Å²	140.1	80%	0.798	74%	0.743	S	S	*	*			trans	-123.2	161.8	165.7	-76.4	-171.8	69.5	0	0	111.7
182	P	38.4	Very low	27.8	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	74%	0.737	S	S	*	*				-151.2	141.3	119.2	35.2	-18	0	0	0	117.7
183	T	25	Very low	27.2	Very low	137 Å²	137	138.5 Å²	138.5	84%	0.84	74%	0.742	S	S	*	*			trans	51.8	160	131.3	-38.5	0	0	0	0	122.1
184	A	27.3	Very low	27.2	Very low	89 Å²	89	135.2 Å²	135.2	74%	0.736	74%	0.743	S	S	*	*			trans	-122.7	-168	-166.1	0	0	0	0	0	114.7
185	V	29.3	Very low	27.1	Very low	124 Å²	124	132.7 Å²	132.7	75%	0.752	75%	0.747	S	S	*	*			trans	121.2	114.2	151.6	178.6	0	0	0	0	118.2
186	E	25.4	Very low	27.1	Very low	167 Å²	167	137.2 Å²	137.2	78%	0.78	75%	0.752	S	S	*	*			trans	89.4	113.6	140.8	-88.4	171.5	-157.7	0	0	128.6
187	T	23.2	Very low	26.9	Very low	116 Å²	116	135 Å²	135	71%	0.712	75%	0.753	S	S	*	*				78	148.3	128.9	44.6	0	0	0	0	127.8
188	K	25.2	Very low	27	Very low	171 Å²	171	135.9 Å²	135.9	74%	0.743	76%	0.757	S	S	*	*			trans	76.3	150	160.2	-75	168.9	179.5	-179.9	0	116.4
189	I	27.6	Very low	26.7	Very low	150 Å²	150	134.3 Å²	134.3	77%	0.769	76%	0.757	S	S	*	*			cis	-130.9	136.7	16.5	-47.9	164.7	0	0	0	105.6
190	E	24.6	Very low	26.6	Very low	127 Å²	127	134.1 Å²	134.1	59%	0.593	76%	0.761	S	S	*	*				47	148.8	79.3	-67.5	176.5	89.4	0	0	113.2
191	K	25.5	Very low	26.5	Very low	142 Å²	142	131.6 Å²	131.6	62%	0.617	76%	0.758	S	S	*	*			cis	-174.3	168.5	-3.5	-101.9	173	171.6	-74.6	0	105.4
192	E	26	Very low	26.3	Very low	152 Å²	152	133.6 Å²	133.6	71%	0.71	77%	0.765	S	S	*	*			cis	-173.4	168.2	-12.9	-111.8	163.1	-174.9	0	0	105.7
193	A	26.4	Very low	25.6	Very low	93 Å²	93	133 Å²	133	77%	0.769	77%	0.77	S	S	*	*			cis	-152.1	-139.4	-3.5	0	0	0	0	0	106.6
194	A	27.6	Very low	25.7	Very low	91 Å²	91	132.3 Å²	132.3	75%	0.752	77%	0.77	S	S	*	*			cis	-166.2	159.5	1.4	0	0	0	0	0	111.9
195	A	27.7	Very low	26.3	Very low	97 Å²	97	133.6 Å²	133.6	80%	0.802	77%	0.771	S	S	*	*			trans	66.1	152	158.4	0	0	0	0	0	119.5
196	E	25.3	Very low	26	Very low	192 Å²	192	137 Å²	137	90%	0.897	78%	0.779	S	S	*	*			cis	-116	-174.8	6.2	-86.9	-164.6	119.7	0	0	114.7
197	T	23.8	Very low	26.1	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	78%	0.779	S	S	*	*			trans	-119.8	148.2	-160.8	54.3	0	0	0	0	115.3
198	V	25.2	Very low	26.2	Very low	147 Å²	147	139.4 Å²	139.4	89%	0.891	78%	0.784	S	S	*	*			trans	-133.4	144.8	144.5	-177.4	0	0	0	0	108.4
199	V	24.6	Very low	26.2	Very low	110 Å²	110	135.1 Å²	135.1	67%	0.667	78%	0.78	S	S	*	*			trans	-129.3	127.7	-175.5	177.9	0	0	0	0	110.5	T201	V199-T201 HydrophobicContact CG1-CG2 4.13Å
200	V	25.6	Very low	26.1	Very low	145 Å²	145	137.3 Å²	137.3	88%	0.879	79%	0.787	S	S	*	*			trans	-135.5	142.1	152.1	-177.9	0	0	0	0	107.6
201	T	25	Very low	26.2	Very low	118 Å²	118	135.9 Å²	135.9	72%	0.724	80%	0.796	S	S	*	*			trans	-110.5	133	-170.8	52.5	0	0	0	0	112.5	V199	V199-T201 HydrophobicContact CG1-CG2 4.13Å
202	E	24.3	Very low	26.3	Very low	204 Å²	204	133.4 Å²	133.4	95%	0.953	80%	0.803	S	S	*	*			trans	-116.6	149.8	151.6	-74.1	-152.4	128.8	0	0	110.3
203	A	24.3	Very low	26.4	Very low	104 Å²	104	134.7 Å²	134.7	86%	0.86	81%	0.811	S	S	*	*			trans	-130.1	144.2	179.8	0	0	0	0	0	110.7
204	S	25.3	Very low	26.3	Very low	121 Å²	121	136.6 Å²	136.6	85%	0.846	80%	0.804	S	S	*	*			trans	-143.6	166.7	-176.6	-123.4	0	0	0	0	110
205	P	39.8	Very low	26.1	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	80%	0.799	S	S	*	*				-128.2	160.9	-107.9	34.9	-18.1	0	0	0	116.2
206	E	24.6	Very low	26.1	Very low	196 Å²	196	141.1 Å²	141.1	92%	0.916	80%	0.799	S	S	*	*			trans	-110.4	89.4	177.8	-67.8	-157.7	122.3	0	0	114.6
207	K	26.1	Very low	26.9	Very low	181 Å²	181	137.3 Å²	137.3	79%	0.787	79%	0.791	S	S	*	*				24.8	119.2	121.3	-149	-169.8	-171.6	175.4	0	119.2
208	L	26.2	Very low	27.1	Very low	153 Å²	153	138.7 Å²	138.7	80%	0.801	79%	0.793	S	S	*	*				165.5	135.7	111.2	-88.1	172.2	0	0	0	117.3
209	A	25.4	Very low	27.1	Very low	81 Å²	81	134.5 Å²	134.5	67%	0.669	78%	0.78	S	S	*	*			trans	65	115	137.1	0	0	0	0	0	125.7
210	E	25	Very low	27.3	Very low	196 Å²	196	137.5 Å²	137.5	92%	0.916	79%	0.786	S	S	*	*				68	140.1	129.9	-64.3	-162.7	114.3	0	0	126.4
211	A	26.1	Very low	27.3	Very low	96 Å²	96	135.6 Å²	135.6	79%	0.793	78%	0.78	S	S	*	*			trans	111.6	96.3	138.1	0	0	0	0	0	122.4
212	A	28.3	Very low	27.3	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	78%	0.783	S	S	*	*				65	133.4	129.5	0	0	0	0	0	125.5
213	M	27.9	Very low	27.3	Very low	180 Å²	180	131.7 Å²	131.7	89%	0.887	77%	0.774	S	S	*	*			trans	65.4	150.9	141.4	-82.4	178.5	166.1	0	0	120.6
214	E	23.7	Very low	27.8	Very low	132 Å²	132	132.4 Å²	132.4	62%	0.617	77%	0.77	S	S	*	*			cis	-164.5	160.7	-16.3	-150.6	-153.8	147.3	0	0	110.7
215	K	24.8	Very low	27.8	Very low	151 Å²	151	130.3 Å²	130.3	66%	0.657	76%	0.76	S	S	*	*			trans	70.9	138.4	166.3	-64.5	172.8	170.3	70.9	0	118.9
216	V	26.5	Very low	27.4	Very low	132 Å²	132	130.7 Å²	130.7	80%	0.8	76%	0.762	S	S	*	*			cis	84.1	146.9	28.3	176.3	0	0	0	0	112.8
217	P	42.2	Very low	27.3	Very low	113 Å²	113	127.8 Å²	127.8	73%	0.734	76%	0.758	S	S	*	*			cis	-105.8	-159.3	2.8	43.6	-34.1	0	0	0	112.9
218	L	29.2	Very low	27.4	Very low	146 Å²	146	128.1 Å²	128.1	76%	0.764	76%	0.762	S	S	*	*			cis	-156.8	158.5	6.9	-168.9	68	0	0	0	108.5
219	G	25	Very low	27.5	Very low	59 Å²	59	130.4 Å²	130.4	61%	0.608	77%	0.766	S	S	*	*			cis	141.1	150.8	-10.8	0	0	0	0	0	114.6
220	E	28.9	Very low	27.6	Very low	173 Å²	173	134.6 Å²	134.6	81%	0.808	77%	0.772	S	S	*	*			trans	70.3	143.9	162.9	-59.3	-151.6	83.3	0	0	120.7
221	S	24.9	Very low	27.8	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	77%	0.768	S	S	*	*			cis	-165.8	162.8	-13.2	-97.5	0	0	0	0	107.4
222	G	24.4	Very low	27.8	Very low	77 Å²	77	132.6 Å²	132.6	79%	0.794	77%	0.765	S	S	*	*			cis	-176.6	-153.5	6.1	0	0	0	0	0	110.6
223	E	25.1	Very low	27.7	Very low	164 Å²	164	136.6 Å²	136.6	77%	0.766	77%	0.766	S	S	*	*			trans	-131.5	166.6	-177	-151.4	-158.4	105.1	0	0	111.2	A225	E223-A225 PolarHBondContact OE1-N 3Å
224	P	34.4	Very low	27.6	Very low	119 Å²	119	133.2 Å²	133.2	77%	0.773	76%	0.759	S	S	*	*				-154.4	146.2	98	38.2	-19.4	0	0	0	119
225	A	25	Very low	27.7	Very low	76 Å²	76	134.6 Å²	134.6	63%	0.628	77%	0.766	S	S	*	*			trans	78.8	125.2	142.4	0	0	0	0	0	120	E223	E223-A225 PolarHBondContact OE1-N 3Å
226	P	31.8	Very low	27.8	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	77%	0.771	S	S	*	*			trans	-87.3	157.6	176	36	-35.8	0	0	0	113.4
227	T	23	Very low	27.8	Very low	135 Å²	135	130.7 Å²	130.7	83%	0.828	77%	0.769	S	S	*	*			trans	-122.7	123.5	171.6	-58	0	0	0	0	110.7
228	Q	28.1	Very low	27.1	Very low	188 Å²	188	133 Å²	133	88%	0.879	77%	0.774	S	S	*	*			trans	-87.4	148.4	172.3	-66.1	177.2	-14.6	0	0	111.4
229	K	27.3	Very low	27.2	Very low	201 Å²	201	131.3 Å²	131.3	87%	0.874	77%	0.771	S	S	*	*			trans	-144	145.1	154.7	-78	-160.8	174	-177.7	0	111.4
230	E	28.8	Very low	27.4	Very low	170 Å²	170	137.4 Å²	137.4	79%	0.794	78%	0.784	S	S	*	*			trans	-88	176	-175.8	-50.2	158.9	110.6	0	0	112.5
231	P	27.9	Very low	27.3	Very low	128 Å²	128	137.9 Å²	137.9	83%	0.831	79%	0.786	S	S	*	*			trans	-107.4	125.6	137.7	33.4	-28.3	0	0	0	112.8
232	V	25.8	Very low	27.7	Very low	121 Å²	121	138.6 Å²	138.6	73%	0.733	79%	0.788	S	S	*	*			trans	-71.6	133.6	168.9	169	0	0	0	0	108.7
233	K	26	Very low	27.7	Very low	175 Å²	175	140.4 Å²	140.4	76%	0.761	78%	0.784	S	S	*	*			cis	83	116.2	43.6	-164.4	-163.2	175.5	-161.7	0	115.7
234	S	26.3	Very low	27.8	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	78%	0.783	S	S	*	*			trans	-152.5	120.7	162.1	51	0	0	0	0	106.9
235	E	26	Very low	27.6	Very low	162 Å²	162	141.9 Å²	141.9	76%	0.757	79%	0.789	S	S	*	*			cis	66.2	130.1	49.5	-149.9	168.6	-98.1	0	0	110.9
236	S	26.3	Very low	27.8	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	80%	0.799	S	S	*	*			cis	-155.7	156.4	21.1	-148.3	0	0	0	0	109.4
237	A	26.5	Very low	27.6	Very low	91 Å²	91	146.9 Å²	146.9	75%	0.752	81%	0.806	S	S	*	*			cis	-167.4	-156.9	-17.1	0	0	0	0	0	108.5
238	I	28.3	Very low	27.8	Very low	163 Å²	163	144.6 Å²	144.6	84%	0.836	80%	0.8	S	S	*	*			trans	-124.7	144.3	-179.8	-59.9	169.3	0	0	0	110.7
239	P	31.3	Very low	27.8	Very low	109 Å²	109	142 Å²	142	71%	0.708	80%	0.797	S	S	*	*			trans	-132.2	131.3	148.7	35.5	-21.9	0	0	0	115
240	E	28.4	Very low	27.9	Very low	188 Å²	188	141.9 Å²	141.9	88%	0.879	80%	0.796	S	S	*	*			trans	55.9	125.6	140	-55.6	-176.6	146.4	0	0	122.2
241	E	28.6	Very low	28.1	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	80%	0.796	S	S	*	*			trans	-76.8	159.9	156.8	-61.6	-174.7	142.8	0	0	111
242	P	32.6	Very low	28.1	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	80%	0.798	S	S	*	*				-141.2	164.2	108	39.1	-28.6	0	0	0	115.7
243	T	24.8	Very low	28.4	Very low	115 Å²	115	143 Å²	143	71%	0.706	81%	0.805	S	S	*	*			trans	-58.3	164.1	163.3	51.4	0	0	0	0	112.3
244	V	27.7	Very low	28.5	Very low	123 Å²	123	142.2 Å²	142.2	75%	0.745	80%	0.801	S	S	*	*			cis	-158.9	175	36.2	-140.6	0	0	0	0	112.3
245	E	28.9	Very low	28.8	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	80%	0.803	S	S	*	*			trans	74.7	165.1	156.6	-75.7	-179.8	-171.7	0	0	118.9
246	A	30.5	Very low	29.2	Very low	101 Å²	101	143.1 Å²	143.1	84%	0.835	80%	0.803	S	S	*	*			trans	-142.7	144.4	-153.4	0	0	0	0	0	113.5
247	E	27.7	Very low	29.5	Very low	204 Å²	204	144.3 Å²	144.3	95%	0.953	80%	0.797	S	S	*	*			trans	-146.2	171.1	158.4	-134.4	177.3	-166.2	0	0	110.2
248	A	27.1	Very low	29.9	Very low	87 Å²	87	146 Å²	146	72%	0.719	80%	0.8	S	S	*	*			trans	-122.1	162.6	-149.2	0	0	0	0	0	116.7
249	V	26.7	Very low	30.2	Very low	132 Å²	132	147 Å²	147	80%	0.8	80%	0.801	S	S	*	*			trans	71	102.6	161.8	-164.5	0	0	0	0	117.5
250	K	29.2	Very low	30.6	Very low	200 Å²	200	151 Å²	151	87%	0.87	81%	0.808	S	S	*	*				-159.3	144.1	112.2	-109.9	164.7	-172.5	172.9	0	113.4
251	S	33.3	Very low	31.1	Very low	113 Å²	113	149 Å²	149	79%	0.79	80%	0.799	S	S	*	*			trans	-84.3	131.8	-178.3	51.4	0	0	0	0	112.1
252	V	29	Very low	31.7	Very low	143 Å²	143	148.8 Å²	148.8	87%	0.867	80%	0.797	S	S	*	*			trans	-126.2	131	157.2	179.2	0	0	0	0	106.6	K254	V252-K254 PolarHBondContact O-N 3.26Å
253	Q	30.7	Very low	33	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	79%	0.788	S	S	*	*			trans	-73.4	125.3	175.2	-70.5	168	-56.8	0	0	108.4	E255	Q253-E255 PolarHBondContact O-N 3.49Å
254	K	28	Very low	34.6	Very low	158 Å²	158	145.9 Å²	145.9	69%	0.687	78%	0.775	S	S	*	*			trans	-74.7	110.4	167.2	-165.7	-170.7	179.1	-165.2	0	106.9	V252 E257	V252-K254 PolarHBondContact O-N 3.26Å; K254-E257 IonicContact NZ-OE1 2.87Å; K254-E257 PolarHBondContact NZ-OE1 3.43Å; K254-E257 IonicContact NZ-OE2 2.88Å; K254-E257 PolarHBondContact NZ-OE2 3.23Å
255	E	34.4	Very low	36.6	Very low	169 Å²	169	146.2 Å²	146.2	79%	0.79	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57	142.1	166.3	-68.5	177.9	119.9	0	0	109	Q253 E257	Q253-E255 PolarHBondContact O-N 3.49Å; E255-E257 PolarHBondContact O-N 3.25Å
256	P	33.7	Very low	39.1	Very low	119 Å²	119	138.4 Å²	138.4	77%	0.773	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-62.3	129	172.4	27.5	-32.7	0	0	0	108.5
257	E	31.4	Very low	41.5	Very low	135 Å²	135	134.7 Å²	134.7	63%	0.631	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-55.5	132.5	170.9	-75.6	141.6	159.3	0	0	108.4	K254 E255 Q259	K254-E257 IonicContact NZ-OE1 2.87Å; K254-E257 PolarHBondContact NZ-OE1 3.43Å; K254-E257 IonicContact NZ-OE2 2.88Å; K254-E257 PolarHBondContact NZ-OE2 3.23Å; E255-E257 PolarHBondContact O-N 3.25Å; E257-Q259 PolarHBondContact O-N 2.61Å
258	P	36.8	Very low	43.9	Very low	126 Å²	126	131.2 Å²	131.2	82%	0.818	71%	0.707	S	S	*	*			trans	-60.5	115.3	-178.7	24.5	-32.9	0	0	0	108.2	K260	P258-K260 PolarHBondContact O-N 2.82Å
259	Q	33.5	Very low	46.6	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	70%	0.696	S	S	*	*			trans	-54.4	133.4	171.3	-68.6	175.7	-25.7	0	0	107.3	E257 E261	E257-Q259 PolarHBondContact O-N 2.61Å; Q259-E261 PolarHBondContact O-N 2.71Å
260	K	38.8	Very low	49.5	Very low	193 Å²	193	125.5 Å²	125.5	84%	0.839	66%	0.66	S	S	*	*			trans	-58	115	160.1	-83.5	-175.1	169.8	-173.8	0	106	P258 E262	P258-K260 PolarHBondContact O-N 2.82Å; K260-E262 VanDerWaalsContact C-N 3.29Å; K260-E262 PolarHBondContact O-N 3.01Å
261	E	39.4	Very low	52.5	Low	148 Å²	148	118 Å²	118	69%	0.692	63%	0.63	S	S	*	*			trans	-57.8	104.2	153.8	-69.4	177.3	138.9	0	0	105.2	Q259 D263 K402	Q259-E261 PolarHBondContact O-N 2.71Å; E261-D263 PolarHBondContact O-N 2.81Å; E261-K402 IonicContact OE1-NZ 2.67Å; E261-K402 PolarHBondContact OE1-NZ 2.73Å; E261-K402 IonicContact OE2-NZ 2.84Å; E261-K402 PolarHBondContact OE2-NZ 2.86Å
262	E	42.3	Very low	55.3	Low	176 Å²	176	114.5 Å²	114.5	82%	0.822	61%	0.605	S	S	*	*			trans	-62.6	124.2	165.5	-66.9	-169	144.6	0	0	106.4	K260 P264	K260-E262 VanDerWaalsContact C-N 3.29Å; K260-E262 PolarHBondContact O-N 3.01Å; E262-P264 WeakPolarHBondContact O-CD 3.46Å
263	D	58.6	Low	58.5	Low	111 Å²	111	108.6 Å²	108.6	59%	0.594	57%	0.567	S	S	*	*			trans	-58.1	115.4	-173.6	-142.5	-33.7	0	0	0	108.1	E261 V265 K403	E261-D263 PolarHBondContact O-N 2.81Å; D263-V265 PolarHBondContact O-N 2.85Å; D263-K403 IonicContact OD1-NZ 2.68Å; D263-K403 PolarHBondContact OD1-NZ 3.08Å
264	P	58.4	Low	61.5	Low	65 Å²	65	99.9 Å²	99.9	42%	0.422	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-61.6	120.9	-166	18.1	-30.1	0	0	0	109.7	E262 W393 K403	E262-P264 WeakPolarHBondContact O-CD 3.46Å; P264-W393 HydrophobicContact CG-CZ3 4.44Å; P264-W393 WeakPolarHBondContact O-CH2 3.12Å; P264-W393 WeakPolarHBondContact O-CZ3 3.35Å; P264-K403 PolarHBondContact O-NZ 2.85Å
265	V	71.1	Confident	64.7	Low	129 Å²	129	92.4 Å²	92.4	78%	0.782	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-59	128.4	173.1	-178.8	0	0	0	0	107	D263	D263-V265 PolarHBondContact O-N 2.85Å
266	P	80.3	Confident	67.6	Low	27 Å²	27	85.6 Å²	85.6	18%	0.175	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-50.5	142.7	177	-24.5	30.5	0	0	0	111.8	S270 F304 W393	P266-S270 WeakPolarHBondContact CB-OG 3.24Å; P266-F304 HydrophobicContact CB-CE1 3.97Å; P266-F304 HydrophobicContact CB-CZ 4.31Å; P266-F304 HydrophobicContact CG-CD1 4.08Å; P266-F304 HydrophobicContact CG-CE1 3.68Å; P266-F304 HydrophobicContact CG-CE2 4.43Å; P266-F304 HydrophobicContact CG-CZ 3.88Å; P266-W393 HydrophobicContact CB-CH2 4.21Å; P266-W393 HydrophobicContact CG-CH2 3.73Å; P266-W393 HydrophobicContact CG-CZ2 4.4Å
267	A	82.2	Confident	70.4	Confident	23 Å²	23	85.1 Å²	85.1	19%	0.19	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-55.6	150.3	175.2	0	0	0	0	0	111.5	N269 S270 E392	A267-N269 WeakPolarHBondContact CB-OD1 3.47Å; A267-N269 PolarHBondContact O-N 3.36Å; A267-S270 WeakPolarHBondContact O-CB 3.32Å; A267-S270 PolarHBondContact O-N 2.68Å; A267-S270 PolarHBondContact O-OG 3Å; A267-E392 HydrophobicContact CB-CG 4.38Å; A267-E392 VanDerWaalsContact CB-OE1 3.29Å; A267-E392 WeakPolarHBondContact CB-OE1 3.44Å; A267-E392 PolarHBondContact N-OE1 2.99Å; A267-E392 PolarHBondContact N-OE2 2.89Å
268	P	76.5	Confident	73.4	Confident	132 Å²	132	82.1 Å²	82.1	86%	0.857	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-55.2	-29	-176	-28.6	36	0	0	0	114.9
269	N	85.1	Confident	76.2	Confident	92 Å²	92	80.7 Å²	80.7	49%	0.492	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-84.5	-1.1	178	67.4	-63	0	0	0	114.4	A267 L271 S272	A267-N269 WeakPolarHBondContact CB-OD1 3.47Å; A267-N269 PolarHBondContact O-N 3.36Å; N269-L271 PolarHBondContact O-N 3.37Å; N269-L271 VanDerWaalsContact O-N 3.17Å; N269-S272 WeakPolarHBondContact CA-OG 3.35Å; N269-S272 WeakPolarHBondContact O-CB 3.36Å; N269-S272 PolarHBondContact O-N 3.23Å; N269-S272 PolarHBondContact O-OG 2.93Å
270	S	87.8	Confident	79.1	Confident	6 Å²	6	79.8 Å²	79.8	4%	0.042	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-66.1	-12.6	176.9	62.9	0	0	0	0	113.7	P266 A267	P266-S270 WeakPolarHBondContact CB-OG 3.24Å; A267-S270 WeakPolarHBondContact O-CB 3.32Å; A267-S270 PolarHBondContact O-N 2.68Å; A267-S270 PolarHBondContact O-OG 3Å
271	L	92	Very high	81.8	Confident	44 Å²	44	70.8 Å²	70.8	23%	0.23	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-111.5	13.4	173	-65	179.4	0	0	0	113.1	N269 F273 L276 F304 L305 A308	N269-L271 PolarHBondContact O-N 3.37Å; N269-L271 VanDerWaalsContact O-N 3.17Å; L271-F273 VanDerWaalsContact C-N 3.28Å; L271-F273 PolarHBondContact O-N 3.28Å; L271-L276 HydrophobicContact CB-CD1 4.1Å; L271-L276 HydrophobicContact CD2-CD1 4.23Å; L271-F304 HydrophobicContact CD1-CE1 3.96Å; L271-F304 HydrophobicContact CD1-CZ 3.76Å; L271-F304 HydrophobicContact CD2-CD1 4.11Å; L271-F304 HydrophobicContact CD2-CE1 3.65Å; L271-F304 HydrophobicContact CD2-CZ 4.28Å; L271-F304 HydrophobicContact CG-CE1 3.75Å; L271-F304 HydrophobicContact CG-CZ 4.07Å; L271-L305 HydrophobicContact CD2-CD1 3.87Å; L271-A308 HydrophobicContact CD1-CB 3.79Å; L271-A308 HydrophobicContact CD2-CB 3.71Å; L271-A308 HydrophobicContact CG-CB 4.4Å
272	S	92.4	Very high	84.4	Confident	38 Å²	38	64.7 Å²	64.7	27%	0.266	35%	0.348	S	S	.	.			trans	-75	79.8	178.4	-68.3	0	0	0	0	112	N269 E277 Q390	N269-S272 WeakPolarHBondContact CA-OG 3.35Å; N269-S272 WeakPolarHBondContact O-CB 3.36Å; N269-S272 PolarHBondContact O-N 3.23Å; N269-S272 PolarHBondContact O-OG 2.93Å; S272-E277 VanDerWaalsContact CA-CD 3.48Å; S272-E277 WeakPolarHBondContact CA-OE1 3.49Å; S272-E277 VanDerWaalsContact CB-OE1 3.24Å; S272-E277 WeakPolarHBondContact CB-OE1 3.47Å; S272-E277 PolarHBondContact OG-OE1 3.26Å; S272-Q390 PolarHBondContact O-NE2 3.3Å
273	F	95.1	Very high	86.9	Confident	19 Å²	19	60.5 Å²	60.5	8%	0.083	33%	0.331	C	S	.	.			trans	-122.3	142.9	173.8	-61.9	-89.6	0	0	0	108.9	L271 L275 L276 E277 L305 L387 Q390	L271-F273 VanDerWaalsContact C-N 3.28Å; L271-F273 PolarHBondContact O-N 3.28Å; F273-L275 VanDerWaalsContact C-N 3.27Å; F273-L275 HydrophobicContact CB-CD2 4.43Å; F273-L275 HydrophobicContact CB-CG 4.18Å; F273-L275 PolarHBondContact O-N 3.08Å; F273-L276 HydrophobicContact CD2-CD1 4.29Å; F273-L276 PolarHBondContact O-N 3.04Å; F273-E277 PolarHBondContact O-N 2.85Å; F273-L305 HydrophobicContact CD2-CD1 3.76Å; F273-L305 HydrophobicContact CE1-CD2 4.37Å; F273-L305 HydrophobicContact CE2-CD1 3.56Å; F273-L305 HydrophobicContact CE2-CD2 3.74Å; F273-L305 HydrophobicContact CE2-CG 4.31Å; F273-L305 HydrophobicContact CZ-CD1 4.29Å; F273-L305 HydrophobicContact CZ-CD2 3.62Å; F273-L387 HydrophobicContact CD1-CD2 3.99Å; F273-L387 HydrophobicContact CE1-CB 4.46Å; F273-L387 HydrophobicContact CE1-CD2 4.08Å; F273-Q390 HydrophobicContact CE1-CG 4.23Å; F273-Q390 VanDerWaalsContact CE1-NE2 3.34Å; F273-Q390 HydrophobicContact CE2-CG 4.3Å; F273-Q390 HydrophobicContact CZ-CB 4.46Å; F273-Q390 HydrophobicContact CZ-CG 3.74Å; F273-Q390 VanDerWaalsContact CZ-NE2 3.34Å
274	A	94.3	Very high	88.5	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-56.2	-40.3	-177.4	0	0	0	0	0	113.1	L276 E277 H278 T281 S515	A274-L276 PolarHBondContact O-N 2.69Å; A274-L276 VanDerWaalsContact O-N 3.12Å; A274-E277 PolarHBondContact O-N 3.29Å; A274-H278 WeakPolarHBondContact O-CB 3.39Å; A274-H278 PolarHBondContact O-N 3.01Å; A274-T281 HydrophobicContact CB-CG2 4.27Å; A274-S515 WeakPolarHBondContact CB-OG 3.43Å
275	L	94.9	Very high	90.2	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-6	174.4	67.9	101.4	0	0	0	115.4	F273 T281 K282 L285 I292 I309 Y313 L387	F273-L275 VanDerWaalsContact C-N 3.27Å; F273-L275 HydrophobicContact CB-CD2 4.43Å; F273-L275 HydrophobicContact CB-CG 4.18Å; F273-L275 PolarHBondContact O-N 3.08Å; L275-T281 HydrophobicContact CB-CG2 4.26Å; L275-K282 WeakPolarHBondContact O-CG 3.27Å; L275-L285 HydrophobicContact CB-CD1 3.68Å; L275-I292 HydrophobicContact CD1-CD1 4.06Å; L275-I292 HydrophobicContact CD2-CD1 4.24Å; L275-I309 HydrophobicContact CD1-CD1 4.17Å; L275-I309 HydrophobicContact CD1-CG1 3.78Å; L275-Y313 HydrophobicContact CD1-CE2 4.37Å; L275-Y313 VanDerWaalsContact O-CE2 3.29Å; L275-Y313 WeakPolarHBondContact O-CE2 3.45Å; L275-Y313 PolarHBondContact O-OH 3.49Å; L275-Y313 VanDerWaalsContact O-OH 3.09Å; L275-L387 HydrophobicContact CD2-CD1 3.85Å
276	L	95	Very high	91.1	Very high	26 Å²	26	49.8 Å²	49.8	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-111.8	-37.1	172.6	-62.3	-179.7	0	0	0	112	L271 F273 A274 K282 L305 A308 I309 A312	L271-L276 HydrophobicContact CB-CD1 4.1Å; L271-L276 HydrophobicContact CD2-CD1 4.23Å; F273-L276 HydrophobicContact CD2-CD1 4.29Å; F273-L276 PolarHBondContact O-N 3.04Å; A274-L276 PolarHBondContact O-N 2.69Å; A274-L276 VanDerWaalsContact O-N 3.12Å; L276-K282 WeakPolarHBondContact O-CD 3.49Å; L276-K282 PolarHBondContact O-NZ 3.04Å; L276-L305 HydrophobicContact CD1-CD1 4.01Å; L276-A308 HydrophobicContact CD1-CB 4.25Å; L276-I309 HydrophobicContact CD2-CG1 4.1Å; L276-A312 HydrophobicContact CD2-CB 3.84Å
277	E	93.7	Very high	91.6	Very high	110 Å²	110	55 Å²	55	51%	0.514	29%	0.289	S	S	.	.	H	α-helix	trans	-94.1	-32.9	-173.3	-65.6	-177.7	148.7	0	0	114.8	S272 F273 A274	S272-E277 VanDerWaalsContact CA-CD 3.48Å; S272-E277 WeakPolarHBondContact CA-OE1 3.49Å; S272-E277 VanDerWaalsContact CB-OE1 3.24Å; S272-E277 WeakPolarHBondContact CB-OE1 3.47Å; S272-E277 PolarHBondContact OG-OE1 3.26Å; F273-E277 PolarHBondContact O-N 2.85Å; A274-E277 PolarHBondContact O-N 3.29Å
278	H	94.3	Very high	92	Very high	72 Å²	72	54.3 Å²	54.3	33%	0.333	28%	0.282	S	S	.	.			trans	-100.6	112.1	-173.7	-72.3	-121.9	0	0	0	111.4	A274 E280 T281 K282	A274-H278 WeakPolarHBondContact O-CB 3.39Å; A274-H278 PolarHBondContact O-N 3.01Å; H278-E280 VanDerWaalsContact C-N 3.35Å; H278-E280 PolarHBondContact O-N 3.05Å; H278-T281 PolarHBondContact O-N 3.1Å; H278-K282 WeakPolarHBondContact O-CD 3.38Å; H278-K282 WeakPolarHBondContact O-CG 3.31Å; H278-K282 PolarHBondContact O-N 3.19Å
279	E	94.6	Very high	92.7	Very high	96 Å²	96	49.7 Å²	49.7	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-35	-178.9	-67.3	-56.8	150.3	0	0	113.5	T281 K282 D283 R286	E279-T281 VanDerWaalsContact C-N 3.3Å; E279-T281 PolarHBondContact O-N 2.95Å; E279-K282 CarbonylContact O-C 3.34Å; E279-K282 WeakPolarHBondContact O-CA 3.42Å; E279-K282 WeakPolarHBondContact O-CB 3.2Å; E279-K282 PolarHBondContact O-N 3.43Å; E279-K282 WeakPolarHBondContact OE1-CE 2.87Å; E279-K282 IonicContact OE1-NZ 3.59Å; E279-K282 PolarHBondContact OE1-NZ 3.09Å; E279-K282 VanDerWaalsContact OE2-CE 3.3Å; E279-K282 WeakPolarHBondContact OE2-CE 3.11Å; E279-K282 IonicContact OE2-NZ 3.4Å; E279-D283 PolarHBondContact O-N 3.15Å; E279-R286 IonicContact OE2-CZ 3.48Å; E279-R286 IonicContact OE2-NH1 3.06Å; E279-R286 PolarHBondContact OE2-NH1 3.34Å; E279-R286 IonicContact OE2-NH2 2.68Å; E279-R286 PolarHBondContact OE2-NH2 3.27Å
280	E	93.7	Very high	93.2	Very high	163 Å²	163	45.3 Å²	45.3	76%	0.762	22%	0.224	S	C	*	.	H	α-helix	trans	-58.3	-41.5	174.7	-65.2	169.8	172.6	0	0	112.3	H278 A284	H278-E280 VanDerWaalsContact C-N 3.35Å; H278-E280 PolarHBondContact O-N 3.05Å; E280-A284 WeakPolarHBondContact O-CB 3.32Å; E280-A284 PolarHBondContact O-N 3.39Å; E280-A284 VanDerWaalsContact O-N 3.11Å
281	T	95.8	Very high	93.6	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-36.3	174.1	-67.6	0	0	0	0	110.8	A274 L275 H278 E279 L285 G514 V516	A274-T281 HydrophobicContact CB-CG2 4.27Å; L275-T281 HydrophobicContact CB-CG2 4.26Å; H278-T281 PolarHBondContact O-N 3.1Å; E279-T281 VanDerWaalsContact C-N 3.3Å; E279-T281 PolarHBondContact O-N 2.95Å; T281-L285 HydrophobicContact CG2-CD1 3.87Å; T281-L285 HydrophobicContact CG2-CG 4.45Å; T281-L285 VanDerWaalsContact O-CB 3.29Å; T281-L285 WeakPolarHBondContact O-CB 3.29Å; T281-L285 WeakPolarHBondContact O-CG 3.22Å; T281-L285 PolarHBondContact O-N 3.32Å; T281-G514 VanDerWaalsContact CG2-O 3.25Å; T281-G514 WeakPolarHBondContact CG2-O 3.05Å; T281-V516 HydrophobicContact CG2-CG2 4.24Å; T281-V516 PolarHBondContact OG1-N 3.36Å; T281-V516 VanDerWaalsContact OG1-N 3.11Å
282	K	94.9	Very high	93.9	Very high	21 Å²	21	43 Å²	43	9%	0.091	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-44.3	178.2	-68.7	154.5	71.3	173.9	0	112.2	L275 L276 H278 E279 L285 R286	L275-K282 WeakPolarHBondContact O-CG 3.27Å; L276-K282 WeakPolarHBondContact O-CD 3.49Å; L276-K282 PolarHBondContact O-NZ 3.04Å; H278-K282 WeakPolarHBondContact O-CD 3.38Å; H278-K282 WeakPolarHBondContact O-CG 3.31Å; H278-K282 PolarHBondContact O-N 3.19Å; E279-K282 CarbonylContact O-C 3.34Å; E279-K282 WeakPolarHBondContact O-CA 3.42Å; E279-K282 WeakPolarHBondContact O-CB 3.2Å; E279-K282 PolarHBondContact O-N 3.43Å; E279-K282 WeakPolarHBondContact OE1-CE 2.87Å; E279-K282 IonicContact OE1-NZ 3.59Å; E279-K282 PolarHBondContact OE1-NZ 3.09Å; E279-K282 VanDerWaalsContact OE2-CE 3.3Å; E279-K282 WeakPolarHBondContact OE2-CE 3.11Å; E279-K282 IonicContact OE2-NZ 3.4Å; K282-L285 PolarHBondContact O-N 3.13Å; K282-R286 WeakPolarHBondContact O-CB 3.12Å; K282-R286 WeakPolarHBondContact O-CD 3.34Å; K282-R286 WeakPolarHBondContact O-CG 3.49Å; K282-R286 PolarHBondContact O-N 3.41Å
283	D	93.5	Very high	94.2	Very high	88 Å²	88	41.2 Å²	41.2	47%	0.471	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-41.2	177.8	-73.2	-28.1	0	0	0	112.1	E279 R286 I287	E279-D283 PolarHBondContact O-N 3.15Å; D283-R286 PolarHBondContact O-N 3.19Å; D283-R286 IonicContact OD1-CZ 3.64Å; D283-R286 IonicContact OD1-NE 2.63Å; D283-R286 IonicContact OD1-NH1 2.98Å; D283-R286 PolarHBondContact OD1-NH1 3.05Å; D283-I287 PolarHBondContact O-N 2.92Å
284	A	93.6	Very high	94.3	Very high	18 Å²	18	40.3 Å²	40.3	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-42.9	171.3	0	0	0	0	0	112.5	E280 I287 S288 F434 V516	E280-A284 WeakPolarHBondContact O-CB 3.32Å; E280-A284 PolarHBondContact O-N 3.39Å; E280-A284 VanDerWaalsContact O-N 3.11Å; A284-I287 VanDerWaalsContact O-CG1 3.31Å; A284-I287 WeakPolarHBondContact O-CG1 3.16Å; A284-I287 PolarHBondContact O-N 2.88Å; A284-S288 WeakPolarHBondContact O-CB 3.32Å; A284-S288 PolarHBondContact O-N 3.31Å; A284-F434 HydrophobicContact CB-CE2 4.06Å; A284-F434 HydrophobicContact CB-CZ 4.48Å; A284-V516 HydrophobicContact CB-CB 4.16Å; A284-V516 HydrophobicContact CB-CG1 3.86Å; A284-V516 HydrophobicContact CB-CG2 3.82Å
285	L	92.9	Very high	94.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-72.5	-27.8	178.2	-70.2	177	0	0	0	113.6	L275 T281 K282 I287 S288 T290 Y313 I385 F434	L275-L285 HydrophobicContact CB-CD1 3.68Å; T281-L285 HydrophobicContact CG2-CD1 3.87Å; T281-L285 HydrophobicContact CG2-CG 4.45Å; T281-L285 VanDerWaalsContact O-CB 3.29Å; T281-L285 WeakPolarHBondContact O-CB 3.29Å; T281-L285 WeakPolarHBondContact O-CG 3.22Å; T281-L285 PolarHBondContact O-N 3.32Å; K282-L285 PolarHBondContact O-N 3.13Å; L285-I287 PolarHBondContact O-N 3.38Å; L285-S288 WeakPolarHBondContact CA-OG 3.44Å; L285-S288 PolarHBondContact O-N 2.74Å; L285-S288 PolarHBondContact O-OG 3.25Å; L285-T290 HydrophobicContact CD2-CG2 3.98Å; L285-T290 WeakPolarHBondContact CD2-OG1 3.19Å; L285-Y313 HydrophobicContact CB-CE1 3.88Å; L285-Y313 WeakPolarHBondContact CD1-OH 3.04Å; L285-I385 HydrophobicContact CD1-CD1 4.48Å; L285-I385 HydrophobicContact CD2-CD1 4.43Å; L285-F434 HydrophobicContact CD2-CE1 3.85Å; L285-F434 HydrophobicContact CD2-CZ 3.89Å
286	R	91.3	Very high	94.4	Very high	60 Å²	60	40.4 Å²	40.4	23%	0.226	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-25	172.2	-76.7	162.5	-177.7	141.9	5	112.5	E279 K282 D283 Y313 Q316 S355	E279-R286 IonicContact OE2-CZ 3.48Å; E279-R286 IonicContact OE2-NH1 3.06Å; E279-R286 PolarHBondContact OE2-NH1 3.34Å; E279-R286 IonicContact OE2-NH2 2.68Å; E279-R286 PolarHBondContact OE2-NH2 3.27Å; K282-R286 WeakPolarHBondContact O-CB 3.12Å; K282-R286 WeakPolarHBondContact O-CD 3.34Å; K282-R286 WeakPolarHBondContact O-CG 3.49Å; K282-R286 PolarHBondContact O-N 3.41Å; D283-R286 PolarHBondContact O-N 3.19Å; D283-R286 IonicContact OD1-CZ 3.64Å; D283-R286 IonicContact OD1-NE 2.63Å; D283-R286 IonicContact OD1-NH1 2.98Å; D283-R286 PolarHBondContact OD1-NH1 3.05Å; R286-Y313 HydrophobicContact CG-CD1 3.89Å; R286-Y313 HydrophobicContact CG-CE1 3.99Å; R286-Q316 VanDerWaalsContact CB-OE1 3.27Å; R286-Q316 VanDerWaalsContact CG-OE1 3.31Å; R286-Q316 PolarHBondContact O-OE1 3.33Å; R286-S355 WeakPolarHBondContact O-CB 3.31Å; R286-S355 PolarHBondContact O-OG 3.34Å
287	I	89.4	Confident	94.5	Very high	137 Å²	137	39.3 Å²	39.3	70%	0.703	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	3.1	179	68.4	176	0	0	0	113.9	D283 A284 L285	D283-I287 PolarHBondContact O-N 2.92Å; A284-I287 VanDerWaalsContact O-CG1 3.31Å; A284-I287 WeakPolarHBondContact O-CG1 3.16Å; A284-I287 PolarHBondContact O-N 2.88Å; L285-I287 PolarHBondContact O-N 3.38Å
288	S	90.4	Very high	94.6	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.049	17%	0.167	C	C	.	.	S	Bend	trans	-98.4	175.9	-179.3	74	0	0	0	0	113.6	A284 L285 T290 S355 V356	A284-S288 WeakPolarHBondContact O-CB 3.32Å; A284-S288 PolarHBondContact O-N 3.31Å; L285-S288 WeakPolarHBondContact CA-OG 3.44Å; L285-S288 PolarHBondContact O-N 2.74Å; L285-S288 PolarHBondContact O-OG 3.25Å; S288-T290 PolarHBondContact OG-OG1 3.31Å; S288-S355 CarbonylContact O-C 3.58Å; S288-S355 VanDerWaalsContact O-CA 3.24Å; S288-S355 WeakPolarHBondContact O-CA 3.34Å; S288-S355 WeakPolarHBondContact O-CB 3.45Å; S288-V356 PolarHBondContact O-N 3.31Å
289	R	92.1	Very high	94.5	Very high	36 Å²	36	31.8 Å²	31.8	14%	0.136	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.8	161	-60.7	170.9	57.7	89.2	1.8	107.2	C348 A352 V356 H380 L382 V383	R289-C348 PolarHBondContact NH1-O 2.88Å; R289-C348 PolarHBondContact NH2-O 2.71Å; R289-A352 PolarHBondContact NH1-O 2.94Å; R289-V356 HydrophobicContact CB-CG1 4.25Å; R289-V356 HydrophobicContact CG-CG1 4.22Å; R289-H380 PolarHBondContact NE-O 2.95Å; R289-H380 PolarHBondContact NH2-O 2.85Å; R289-L382 HydrophobicContact CB-CB 4.46Å; R289-L382 HydrophobicContact CB-CD2 4.29Å; R289-L382 HydrophobicContact CB-CG 4.03Å; R289-L382 WeakPolarHBondContact O-CA 3.16Å; R289-V383 PolarHBondContact O-N 2.99Å
290	T	95	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	134	-172.7	-67.5	0	0	0	0	112.4	L285 S288 I292 V356 L357 I358 V383 I385	L285-T290 HydrophobicContact CD2-CG2 3.98Å; L285-T290 WeakPolarHBondContact CD2-OG1 3.19Å; S288-T290 PolarHBondContact OG-OG1 3.31Å; T290-I292 HydrophobicContact CG2-CG1 4.2Å; T290-V356 PolarHBondContact N-O 2.9Å; T290-L357 HydrophobicContact CG2-CD1 3.67Å; T290-I358 PolarHBondContact O-N 3.38Å; T290-V383 CarbonylContact C-O 3.6Å; T290-V383 VanDerWaalsContact CA-O 3.3Å; T290-V383 WeakPolarHBondContact CA-O 3.17Å; T290-V383 WeakPolarHBondContact CG2-O 3.44Å; T290-I385 HydrophobicContact CG2-CD1 3.74Å; T290-I385 HydrophobicContact CG2-CG1 4.1Å
291	L	97.3	Very high	94.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	104.4	175.4	-177.2	75.5	0	0	0	109.7	V293 I344 I358 V360 L373 A377 L382 V383 A384 I385	L291-V293 HydrophobicContact CD2-CG2 3.93Å; L291-V293 HydrophobicContact CG-CG2 4Å; L291-I344 HydrophobicContact CD1-CG2 4.06Å; L291-I358 HydrophobicContact CD1-CB 3.83Å; L291-I358 HydrophobicContact CD1-CG2 3.64Å; L291-V360 HydrophobicContact CD1-CG2 3.86Å; L291-L373 HydrophobicContact CD2-CB 4.4Å; L291-L373 WeakPolarHBondContact CD2-O 3.32Å; L291-A377 HydrophobicContact CB-CB 4.36Å; L291-A377 HydrophobicContact CD2-CB 3.94Å; L291-L382 HydrophobicContact CB-CB 4.34Å; L291-L382 HydrophobicContact CB-CD2 4.42Å; L291-V383 PolarHBondContact N-O 2.84Å; L291-A384 CarbonylContact O-C 3.54Å; L291-A384 WeakPolarHBondContact O-CA 3.45Å; L291-I385 PolarHBondContact O-N 3.3Å
292	I	98.3	Very high	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.8	170.9	-63.4	178.6	0	0	0	109	L275 T290 L294 I309 L357 I358 V359 V360 I385 L387	L275-I292 HydrophobicContact CD1-CD1 4.06Å; L275-I292 HydrophobicContact CD2-CD1 4.24Å; T290-I292 HydrophobicContact CG2-CG1 4.2Å; I292-L294 HydrophobicContact CG2-CD2 3.71Å; I292-L294 HydrophobicContact CG2-CG 4.48Å; I292-I309 HydrophobicContact CD1-CD1 4.15Å; I292-I309 HydrophobicContact CD1-CG2 4.06Å; I292-I309 HydrophobicContact CG2-CD1 4.15Å; I292-L357 HydrophobicContact CD1-CD1 3.79Å; I292-L357 HydrophobicContact CD1-CD2 4.33Å; I292-L357 HydrophobicContact CD1-CG 4.3Å; I292-L357 HydrophobicContact CG1-CD1 4.06Å; I292-I358 PolarHBondContact N-O 2.89Å; I292-V359 HydrophobicContact CB-CG2 4.26Å; I292-V359 HydrophobicContact CD1-CG2 4.49Å; I292-V359 HydrophobicContact CG2-CG1 4.42Å; I292-V359 CarbonylContact O-C 3.59Å; I292-V359 WeakPolarHBondContact O-CA 3.02Å; I292-V360 PolarHBondContact O-N 2.59Å; I292-I385 WeakPolarHBondContact CA-O 3.35Å; I292-I385 HydrophobicContact CG1-CB 4.42Å; I292-L387 HydrophobicContact CG2-CD1 3.62Å; I292-L387 HydrophobicContact CG2-CG 4.27Å
293	V	98.4	Very high	94.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	105.7	177.3	178.6	0	0	0	0	108.7	L291 N364 L370 L373 I385 F386 L387	L291-V293 HydrophobicContact CD2-CG2 3.93Å; L291-V293 HydrophobicContact CG-CG2 4Å; V293-N364 HydrophobicContact CG1-CB 4.3Å; V293-L370 HydrophobicContact CG1-CD2 4.14Å; V293-L373 HydrophobicContact CG1-CD1 3.66Å; V293-L373 HydrophobicContact CG2-CB 4.04Å; V293-L373 HydrophobicContact CG2-CD1 4.07Å; V293-I385 PolarHBondContact N-O 2.96Å; V293-F386 HydrophobicContact CB-CD1 3.57Å; V293-F386 HydrophobicContact CB-CE1 3.9Å; V293-F386 HydrophobicContact CB-CG 4.35Å; V293-F386 HydrophobicContact CG1-CD1 3.68Å; V293-F386 HydrophobicContact CG1-CE1 3.96Å; V293-F386 HydrophobicContact CG2-CD1 4.07Å; V293-F386 HydrophobicContact CG2-CE1 3.88Å; V293-F386 CarbonylContact O-C 3.6Å; V293-F386 WeakPolarHBondContact O-CA 3.37Å; V293-L387 PolarHBondContact O-N 3.03Å
294	L	98.1	Very high	94.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143.3	172.9	-53	-173.3	0	0	0	109.5	I292 K302 L305 A306 I309 V359 V360 D361 N364 L387	I292-L294 HydrophobicContact CG2-CD2 3.71Å; I292-L294 HydrophobicContact CG2-CG 4.48Å; L294-K302 HydrophobicContact CB-CB 4.28Å; L294-K302 HydrophobicContact CB-CD 4.28Å; L294-K302 HydrophobicContact CB-CG 4.42Å; L294-K302 HydrophobicContact CD1-CB 4.23Å; L294-K302 WeakPolarHBondContact CD1-O 3.16Å; L294-L305 HydrophobicContact CD2-CD2 3.91Å; L294-L305 HydrophobicContact CD2-CG 4.18Å; L294-A306 HydrophobicContact CD1-CB 3.65Å; L294-I309 HydrophobicContact CD2-CD1 4.35Å; L294-V359 HydrophobicContact CD1-CG1 3.93Å; L294-V359 HydrophobicContact CG-CG1 4.01Å; L294-V360 WeakPolarHBondContact CB-O 3.36Å; L294-V360 PolarHBondContact N-O 3.46Å; L294-D361 HydrophobicContact CD1-CB 4.35Å; L294-N364 WeakPolarHBondContact O-CB 3.45Å; L294-N364 PolarHBondContact O-ND2 2.94Å; L294-L387 CarbonylContact C-O 3.58Å; L294-L387 WeakPolarHBondContact CA-O 3.37Å; L294-L387 HydrophobicContact CD2-CB 3.99Å; L294-L387 HydrophobicContact CD2-CD1 4.15Å
295	R	95.6	Very high	95	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.019	11%	0.111	C	C	.	.			trans	-142.7	158.1	-179.4	44.2	169.4	-72.4	151.9	1.5	111.7	N364 L370 L387 E388 P389 L420 T423	R295-N364 HydrophobicContact CB-CB 3.98Å; R295-L370 VanDerWaalsContact NH1-CD1 3.29Å; R295-L387 VanDerWaalsContact CG-O 3.25Å; R295-L387 WeakPolarHBondContact CG-O 3.39Å; R295-L387 PolarHBondContact N-O 2.68Å; R295-E388 HydrophobicContact CG-CG 3.77Å; R295-E388 IonicContact CZ-OE1 2.77Å; R295-E388 VanDerWaalsContact CZ-OE1 3.28Å; R295-E388 IonicContact NE-OE1 2.68Å; R295-E388 PolarHBondContact NE-OE1 2.81Å; R295-E388 IonicContact NH2-OE1 3.57Å; R295-E388 PolarHBondContact NH2-OE1 3.11Å; R295-P389 WeakPolarHBondContact O-CD 3.19Å; R295-L420 PolarHBondContact NH2-O 3.21Å; R295-L420 VanDerWaalsContact NH2-O 3.07Å; R295-T423 PolarHBondContact NH1-O 2.82Å; R295-T423 PolarHBondContact NH2-O 3.39Å; R295-T423 PolarHBondContact NH2-OG1 2.95Å
296	G	95.6	Very high	95.2	Very high	3 Å²	3	20.5 Å²	20.5	3%	0.031	11%	0.112	C	C	.	.	S	Bend	trans	120.4	166.9	179.6	0	0	0	0	0	113.7	K302 T363	G296-K302 PolarHBondContact O-NZ 2.87Å; G296-T363 PolarHBondContact N-O 3.18Å; G296-T363 WeakPolarHBondContact O-CA 3.47Å; G296-T363 WeakPolarHBondContact O-CG2 3.32Å
297	L	95.6	Very high	95.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.127	C	C	.	.			trans	-61.6	155.7	-167.1	-60.6	-178.4	0	0	0	114.3	G299 S300 K302 L397 L400 M416 K417 L420	L297-G299 PolarHBondContact O-N 3.27Å; L297-S300 VanDerWaalsContact O-CB 3.26Å; L297-S300 WeakPolarHBondContact O-CB 3.42Å; L297-S300 PolarHBondContact O-N 3.49Å; L297-S300 VanDerWaalsContact O-N 3.13Å; L297-S300 PolarHBondContact O-OG 3.06Å; L297-K302 PolarHBondContact O-NZ 3.48Å; L297-L397 HydrophobicContact CD1-CD2 4.35Å; L297-L400 HydrophobicContact CB-CD1 3.92Å; L297-L400 HydrophobicContact CB-CD2 4.45Å; L297-L400 HydrophobicContact CD1-CD1 3.66Å; L297-L400 HydrophobicContact CG-CD1 4.39Å; L297-M416 HydrophobicContact CD2-CB 3.53Å; L297-K417 HydrophobicContact CD1-CG 4.06Å; L297-L420 HydrophobicContact CD2-CD2 3.92Å; L297-L420 HydrophobicContact CG-CD2 3.8Å
298	P	95.5	Very high	95.7	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.039	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	131.5	170.7	-25.8	36.7	0	0	0	111.6	P329 T363 T404 L408 L413 M416	P298-P329 HydrophobicContact CG-CB 3.89Å; P298-P329 HydrophobicContact CG-CG 3.64Å; P298-T363 HydrophobicContact CG-CG2 4.43Å; P298-T404 WeakPolarHBondContact CB-OG1 3.4Å; P298-L408 HydrophobicContact CB-CD1 3.86Å; P298-L408 HydrophobicContact CG-CD1 3.72Å; P298-L413 HydrophobicContact CB-CD2 4.12Å; P298-L413 HydrophobicContact CG-CD2 4.13Å; P298-M416 HydrophobicContact CG-CE 4.07Å
299	G	93.8	Very high	96	Very high	19 Å²	19	18.5 Å²	18.5	20%	0.196	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-7.3	-174.1	0	0	0	0	0	115.7	L297 G301 W393 L400	L297-G299 PolarHBondContact O-N 3.27Å; G299-G301 PolarHBondContact O-N 2.8Å; G299-G301 VanDerWaalsContact O-N 3.13Å; G299-W393 PolarHBondContact O-NE1 3.1Å; G299-W393 VanDerWaalsContact O-NE1 3.07Å; G299-L400 VanDerWaalsContact C-CD2 3.4Å
300	S	95.4	Very high	96.2	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	10%	0.102	C	C	.	.	S	Bend	trans	-71.2	-5.8	-175.4	69.8	0	0	0	0	115.4	L297 P389 T391 L400	L297-S300 VanDerWaalsContact O-CB 3.26Å; L297-S300 WeakPolarHBondContact O-CB 3.42Å; L297-S300 PolarHBondContact O-N 3.49Å; L297-S300 VanDerWaalsContact O-N 3.13Å; L297-S300 PolarHBondContact O-OG 3.06Å; S300-P389 WeakPolarHBondContact O-CB 3.37Å; S300-T391 WeakPolarHBondContact O-CG2 3.48Å; S300-T391 PolarHBondContact O-OG1 2.88Å; S300-L400 VanDerWaalsContact CA-CD2 3.46Å; S300-L400 VanDerWaalsContact N-CD2 3.25Å
301	G	95.2	Very high	96.2	Very high	15 Å²	15	24 Å²	24	16%	0.155	13%	0.134	C	C	.	.	S	Bend	trans	96.2	12.2	-178.4	0	0	0	0	0	115.4	G299 S303 F304 L305	G299-G301 PolarHBondContact O-N 2.8Å; G299-G301 VanDerWaalsContact O-N 3.13Å; G301-S303 PolarHBondContact O-N 2.95Å; G301-F304 WeakPolarHBondContact O-CA 3.36Å; G301-F304 WeakPolarHBondContact O-CB 3.39Å; G301-F304 PolarHBondContact O-N 3.43Å; G301-L305 PolarHBondContact O-N 3.43Å
302	K	96.4	Very high	96.1	Very high	13 Å²	13	25.3 Å²	25.3	6%	0.057	15%	0.145	C	C	.	.	H	α-helix	trans	-51.9	-53	174.2	-58.3	-173.1	-61.6	-79.3	0	112.2	L294 G296 L297 F304 L305 A306 D361 D362 P389	L294-K302 HydrophobicContact CB-CB 4.28Å; L294-K302 HydrophobicContact CB-CD 4.28Å; L294-K302 HydrophobicContact CB-CG 4.42Å; L294-K302 HydrophobicContact CD1-CB 4.23Å; L294-K302 WeakPolarHBondContact CD1-O 3.16Å; G296-K302 PolarHBondContact O-NZ 2.87Å; L297-K302 PolarHBondContact O-NZ 3.48Å; K302-F304 PolarHBondContact O-N 2.88Å; K302-L305 CarbonylContact O-C 3.56Å; K302-L305 WeakPolarHBondContact O-CA 3.47Å; K302-L305 WeakPolarHBondContact O-CB 3.36Å; K302-L305 PolarHBondContact O-N 3.39Å; K302-A306 PolarHBondContact O-N 2.94Å; K302-D361 WeakPolarHBondContact CB-OD1 3.46Å; K302-D362 WeakPolarHBondContact CD-O 3.43Å; K302-D362 WeakPolarHBondContact CE-O 3.48Å; K302-P389 HydrophobicContact CB-CG 4.19Å; K302-P389 HydrophobicContact CG-CG 3.66Å
303	S	95.6	Very high	95.9	Very high	57 Å²	57	25.5 Å²	25.5	40%	0.399	15%	0.146	S	C	.	.	H	α-helix	trans	-66.6	-5.4	176.9	-35.6	0	0	0	0	114.7	G301 R307 D361	G301-S303 PolarHBondContact O-N 2.95Å; S303-R307 VanDerWaalsContact O-CZ 3.3Å; S303-R307 PolarHBondContact O-NE 3.29Å; S303-R307 PolarHBondContact O-NH2 2.9Å; S303-R307 VanDerWaalsContact O-NH2 3.12Å; S303-D361 WeakPolarHBondContact CA-OD2 3.37Å; S303-D361 WeakPolarHBondContact CB-OD2 3.48Å; S303-D361 PolarHBondContact N-OD1 2.81Å; S303-D361 PolarHBondContact N-OD2 3.41Å; S303-D361 PolarHBondContact OG-OD2 2.91Å
304	F	95.3	Very high	95.5	Very high	62 Å²	62	32.5 Å²	32.5	27%	0.272	18%	0.176	S	C	.	.	H	α-helix	trans	-90.3	-45.5	167.6	165.6	-104.5	0	0	0	110.4	P266 L271 G301 K302 R307 A308	P266-F304 HydrophobicContact CB-CE1 3.97Å; P266-F304 HydrophobicContact CB-CZ 4.31Å; P266-F304 HydrophobicContact CG-CD1 4.08Å; P266-F304 HydrophobicContact CG-CE1 3.68Å; P266-F304 HydrophobicContact CG-CE2 4.43Å; P266-F304 HydrophobicContact CG-CZ 3.88Å; L271-F304 HydrophobicContact CD1-CE1 3.96Å; L271-F304 HydrophobicContact CD1-CZ 3.76Å; L271-F304 HydrophobicContact CD2-CD1 4.11Å; L271-F304 HydrophobicContact CD2-CE1 3.65Å; L271-F304 HydrophobicContact CD2-CZ 4.28Å; L271-F304 HydrophobicContact CG-CE1 3.75Å; L271-F304 HydrophobicContact CG-CZ 4.07Å; G301-F304 WeakPolarHBondContact O-CA 3.36Å; G301-F304 WeakPolarHBondContact O-CB 3.39Å; G301-F304 PolarHBondContact O-N 3.43Å; K302-F304 PolarHBondContact O-N 2.88Å; F304-R307 PolarHBondContact O-N 3.2Å; F304-A308 PolarHBondContact O-N 2.89Å
305	L	97	Very high	95	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-42.7	171	178.8	55.4	0	0	0	112.1	L271 F273 L276 L294 G301 K302 R307 A308 I309 L387	L271-L305 HydrophobicContact CD2-CD1 3.87Å; F273-L305 HydrophobicContact CD2-CD1 3.76Å; F273-L305 HydrophobicContact CE1-CD2 4.37Å; F273-L305 HydrophobicContact CE2-CD1 3.56Å; F273-L305 HydrophobicContact CE2-CD2 3.74Å; F273-L305 HydrophobicContact CE2-CG 4.31Å; F273-L305 HydrophobicContact CZ-CD1 4.29Å; F273-L305 HydrophobicContact CZ-CD2 3.62Å; L276-L305 HydrophobicContact CD1-CD1 4.01Å; L294-L305 HydrophobicContact CD2-CD2 3.91Å; L294-L305 HydrophobicContact CD2-CG 4.18Å; G301-L305 PolarHBondContact O-N 3.43Å; K302-L305 CarbonylContact O-C 3.56Å; K302-L305 WeakPolarHBondContact O-CA 3.47Å; K302-L305 WeakPolarHBondContact O-CB 3.36Å; K302-L305 PolarHBondContact O-N 3.39Å; L305-R307 VanDerWaalsContact C-N 3.3Å; L305-R307 PolarHBondContact O-N 2.8Å; L305-A308 PolarHBondContact O-N 3.17Å; L305-A308 VanDerWaalsContact O-N 3.17Å; L305-I309 HydrophobicContact CD1-CD1 4.04Å; L305-I309 HydrophobicContact CD1-CG1 4.21Å; L305-I309 HydrophobicContact CG-CD1 3.98Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 2.87Å; L305-L387 HydrophobicContact CD2-CB 4.38Å; L305-L387 HydrophobicContact CD2-CD1 4.48Å
306	A	97.3	Very high	94.6	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-56.2	-42.4	176	0	0	0	0	0	112.5	L294 K302 A310 V319 V359 D361	L294-A306 HydrophobicContact CD1-CB 3.65Å; K302-A306 PolarHBondContact O-N 2.94Å; A306-A310 WeakPolarHBondContact O-CB 3.38Å; A306-A310 PolarHBondContact O-N 2.87Å; A306-V319 HydrophobicContact CB-CG1 4.11Å; A306-V359 HydrophobicContact CB-CG1 4.15Å; A306-D361 HydrophobicContact CB-CB 4.22Å
307	R	96.3	Very high	94.5	Very high	145 Å²	145	42.4 Å²	42.4	55%	0.547	23%	0.228	S	C	.	.	H	α-helix	trans	-69.6	-43.2	175.5	-79.1	178.7	-71.9	126.2	-2.4	112	S303 F304 L305 I309 A310 D311	S303-R307 VanDerWaalsContact O-CZ 3.3Å; S303-R307 PolarHBondContact O-NE 3.29Å; S303-R307 PolarHBondContact O-NH2 2.9Å; S303-R307 VanDerWaalsContact O-NH2 3.12Å; F304-R307 PolarHBondContact O-N 3.2Å; L305-R307 VanDerWaalsContact C-N 3.3Å; L305-R307 PolarHBondContact O-N 2.8Å; R307-I309 PolarHBondContact O-N 2.92Å; R307-A310 CarbonylContact O-C 3.6Å; R307-A310 PolarHBondContact O-N 2.93Å; R307-A310 VanDerWaalsContact O-N 3.11Å; R307-D311 WeakPolarHBondContact O-CB 3.44Å; R307-D311 VanDerWaalsContact O-CG 3.29Å; R307-D311 PolarHBondContact O-N 3.14Å
308	A	96.5	Very high	94.4	Very high	17 Å²	17	43.6 Å²	43.6	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-36.5	175.6	0	0	0	0	0	112.6	L271 L276 F304 L305 A312	L271-A308 HydrophobicContact CD1-CB 3.79Å; L271-A308 HydrophobicContact CD2-CB 3.71Å; L271-A308 HydrophobicContact CG-CB 4.4Å; L276-A308 HydrophobicContact CD1-CB 4.25Å; F304-A308 PolarHBondContact O-N 2.89Å; L305-A308 PolarHBondContact O-N 3.17Å; L305-A308 VanDerWaalsContact O-N 3.17Å; A308-A312 WeakPolarHBondContact O-CB 3.29Å; A308-A312 PolarHBondContact O-N 2.91Å
309	I	96.8	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-48.4	172.8	-62.3	163	0	0	0	110.5	L275 L276 I292 L294 L305 R307 D311 A312 Y313 L357 V359	L275-I309 HydrophobicContact CD1-CD1 4.17Å; L275-I309 HydrophobicContact CD1-CG1 3.78Å; L276-I309 HydrophobicContact CD2-CG1 4.1Å; I292-I309 HydrophobicContact CD1-CD1 4.15Å; I292-I309 HydrophobicContact CD1-CG2 4.06Å; I292-I309 HydrophobicContact CG2-CD1 4.15Å; L294-I309 HydrophobicContact CD2-CD1 4.35Å; L305-I309 HydrophobicContact CD1-CD1 4.04Å; L305-I309 HydrophobicContact CD1-CG1 4.21Å; L305-I309 HydrophobicContact CG-CD1 3.98Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 2.87Å; R307-I309 PolarHBondContact O-N 2.92Å; I309-D311 VanDerWaalsContact C-N 3.31Å; I309-D311 PolarHBondContact O-N 3.28Å; I309-A312 PolarHBondContact O-N 3.37Å; I309-A312 VanDerWaalsContact O-N 3.14Å; I309-Y313 HydrophobicContact CG2-CD2 4.03Å; I309-Y313 HydrophobicContact CG2-CE2 4.44Å; I309-Y313 WeakPolarHBondContact O-CD2 3.38Å; I309-Y313 PolarHBondContact O-N 2.88Å; I309-L357 HydrophobicContact CG2-CD2 3.84Å; I309-V359 HydrophobicContact CB-CG2 4.33Å; I309-V359 HydrophobicContact CG2-CG2 3.67Å
310	A	95.5	Very high	94.7	Very high	27 Å²	27	47 Å²	47	22%	0.223	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-39.1	177.3	0	0	0	0	0	112.9	A306 R307 K314 V319	A306-A310 WeakPolarHBondContact O-CB 3.38Å; A306-A310 PolarHBondContact O-N 2.87Å; R307-A310 CarbonylContact O-C 3.6Å; R307-A310 PolarHBondContact O-N 2.93Å; R307-A310 VanDerWaalsContact O-N 3.11Å; A310-K314 WeakPolarHBondContact O-CA 3.3Å; A310-K314 PolarHBondContact O-N 2.98Å; A310-V319 HydrophobicContact CB-CG2 3.84Å
311	D	95	Very high	94.7	Very high	123 Å²	123	48 Å²	48	66%	0.658	26%	0.257	S	S	*	.	H	α-helix	trans	-69.3	-32.5	177	-69	-35.5	0	0	0	112.2	R307 I309 K314	R307-D311 WeakPolarHBondContact O-CB 3.44Å; R307-D311 VanDerWaalsContact O-CG 3.29Å; R307-D311 PolarHBondContact O-N 3.14Å; I309-D311 VanDerWaalsContact C-N 3.31Å; I309-D311 PolarHBondContact O-N 3.28Å; D311-K314 WeakPolarHBondContact O-CG 3.46Å
312	A	94.8	Very high	94.6	Very high	29 Å²	29	47.3 Å²	47.3	24%	0.24	25%	0.25	C	C	.	.	H	α-helix	trans	-78.3	-31.9	-179.8	0	0	0	0	0	114.1	L276 A308 I309	L276-A312 HydrophobicContact CD2-CB 3.84Å; A308-A312 WeakPolarHBondContact O-CB 3.29Å; A308-A312 PolarHBondContact O-N 2.91Å; I309-A312 PolarHBondContact O-N 3.37Å; I309-A312 VanDerWaalsContact O-N 3.14Å
313	Y	93.9	Very high	94.4	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.02	27%	0.268	C	S	.	.	H	α-helix	trans	-111.9	-13.5	-176.3	-71.6	-91.6	0	0	0	114.5	L275 L285 R286 I309 D315 Q316 L357	L275-Y313 HydrophobicContact CD1-CE2 4.37Å; L275-Y313 VanDerWaalsContact O-CE2 3.29Å; L275-Y313 WeakPolarHBondContact O-CE2 3.45Å; L275-Y313 PolarHBondContact O-OH 3.49Å; L275-Y313 VanDerWaalsContact O-OH 3.09Å; L285-Y313 HydrophobicContact CB-CE1 3.88Å; L285-Y313 WeakPolarHBondContact CD1-OH 3.04Å; R286-Y313 HydrophobicContact CG-CD1 3.89Å; R286-Y313 HydrophobicContact CG-CE1 3.99Å; I309-Y313 HydrophobicContact CG2-CD2 4.03Å; I309-Y313 HydrophobicContact CG2-CE2 4.44Å; I309-Y313 WeakPolarHBondContact O-CD2 3.38Å; I309-Y313 PolarHBondContact O-N 2.88Å; Y313-D315 PolarHBondContact O-N 2.91Å; Y313-Q316 PolarHBondContact O-N 2.7Å; Y313-L357 HydrophobicContact CD1-CD2 3.67Å; Y313-L357 HydrophobicContact CD2-CD2 3.47Å; Y313-L357 VanDerWaalsContact CD2-CD2 3.47Å; Y313-L357 HydrophobicContact CE1-CD2 4Å; Y313-L357 HydrophobicContact CE2-CD2 3.82Å; Y313-L357 HydrophobicContact CG-CD2 3.37Å
314	K	90.8	Very high	94.3	Very high	146 Å²	146	53.8 Å²	53.8	64%	0.635	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	54.2	-125.4	170.3	-56.2	175.1	-174.8	169.5	0	112.9	A310 D311 Q316 C317	A310-K314 WeakPolarHBondContact O-CA 3.3Å; A310-K314 PolarHBondContact O-N 2.98Å; D311-K314 WeakPolarHBondContact O-CG 3.46Å; K314-Q316 PolarHBondContact O-N 2.63Å; K314-Q316 VanDerWaalsContact O-N 3.16Å; K314-C317 WeakPolarHBondContact O-CB 3.43Å; K314-C317 PolarHBondContact O-N 2.95Å
315	D	87	Confident	94.2	Very high	137 Å²	137	52.8 Å²	52.8	73%	0.733	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-61.8	-16.6	-177.6	50	-65.3	0	0	0	114.4	Y313	Y313-D315 PolarHBondContact O-N 2.91Å
316	Q	87.2	Confident	93.8	Very high	64 Å²	64	59 Å²	59	30%	0.299	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-86.4	-10.3	174.9	-61.9	162.4	35.2	0	0	112.6	R286 Y313 K314 L357	R286-Q316 VanDerWaalsContact CB-OE1 3.27Å; R286-Q316 VanDerWaalsContact CG-OE1 3.31Å; R286-Q316 PolarHBondContact O-OE1 3.33Å; Y313-Q316 PolarHBondContact O-N 2.7Å; K314-Q316 PolarHBondContact O-N 2.63Å; K314-Q316 VanDerWaalsContact O-N 3.16Å; Q316-L357 PolarHBondContact O-N 2.98Å; Q316-L357 VanDerWaalsContact O-N 3.11Å
317	C	93.6	Very high	93.6	Very high	16 Å²	16	58.9 Å²	58.9	11%	0.108	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.7	179.9	-170	0	0	0	0	111.9	K314 L357	K314-C317 WeakPolarHBondContact O-CB 3.43Å; K314-C317 PolarHBondContact O-N 2.95Å; C317-L357 CarbonylContact C-O 3.53Å; C317-L357 WeakPolarHBondContact CA-O 3.38Å
318	S	94.5	Very high	93.3	Very high	27 Å²	27	57.5 Å²	57.5	19%	0.189	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	111.8	172.2	-60.6	0	0	0	0	109.4	R347 L357 I358 V359	S318-R347 PolarHBondContact OG-NE 3.04Å; S318-R347 VanDerWaalsContact OG-NE 3.11Å; S318-L357 PolarHBondContact N-O 3.12Å; S318-I358 WeakPolarHBondContact O-CA 3.12Å; S318-V359 PolarHBondContact O-N 3.23Å
319	V	96.8	Very high	92.8	Very high	61 Å²	61	56.8 Å²	56.8	37%	0.37	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.8	-179.7	-172.4	0	0	0	0	109.7	A306 A310 V359	A306-V319 HydrophobicContact CB-CG1 4.11Å; A310-V319 HydrophobicContact CB-CG2 3.84Å; V319-V359 CarbonylContact C-O 3.59Å; V319-V359 WeakPolarHBondContact CA-O 3.37Å; V319-V359 HydrophobicContact CB-CB 4.5Å; V319-V359 HydrophobicContact CG1-CB 4.36Å; V319-V359 HydrophobicContact CG1-CG1 4.45Å; V319-V359 HydrophobicContact CG2-CB 4.17Å
320	F	97.1	Very high	92.2	Very high	36 Å²	36	60.6 Å²	60.6	16%	0.158	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115	173.9	-63.6	-95.4	0	0	0	108.7	L340 A343 I344 R347 I358 V359 D361	F320-L340 HydrophobicContact CB-CD1 3.62Å; F320-L340 HydrophobicContact CG-CD1 4.47Å; F320-A343 HydrophobicContact CD1-CB 4.15Å; F320-A343 HydrophobicContact CE1-CB 3.95Å; F320-I344 HydrophobicContact CD2-CG1 4.32Å; F320-I344 HydrophobicContact CG-CG1 4.27Å; F320-R347 HydrophobicContact CE2-CB 4.14Å; F320-R347 HydrophobicContact CE2-CG 4.12Å; F320-R347 HydrophobicContact CZ-CB 3.73Å; F320-R347 HydrophobicContact CZ-CG 4.03Å; F320-I358 HydrophobicContact CD2-CG2 3.78Å; F320-I358 HydrophobicContact CE2-CG2 3.93Å; F320-V359 PolarHBondContact N-O 3.07Å; F320-D361 PolarHBondContact O-N 2.66Å
321	C	95.7	Very high	91.7	Very high	23 Å²	23	65.2 Å²	65.2	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.2	-178.6	-170.2	0	0	0	0	110.8	D323 D324 H325	C321-D323 PolarHBondContact O-N 2.8Å; C321-D324 WeakPolarHBondContact CB-OD2 3.35Å; C321-D324 PolarHBondContact O-N 3.36Å; C321-D324 VanDerWaalsContact O-N 3.15Å; C321-H325 PolarHBondContact O-CD2 2.69Å
322	A	94.4	Very high	91.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.7	-178.4	0	0	0	0	0	113.5	D324 H325 N326 I327 D361 D362	A322-D324 VanDerWaalsContact C-N 3.31Å; A322-D324 PolarHBondContact O-N 3.27Å; A322-H325 PolarHBondContact O-N 2.99Å; A322-N326 PolarHBondContact O-N 2.88Å; A322-I327 HydrophobicContact CB-CB 3.98Å; A322-I327 HydrophobicContact CB-CD1 3.96Å; A322-I327 HydrophobicContact CB-CG2 4.29Å; A322-I327 WeakPolarHBondContact O-CB 3.45Å; A322-I327 PolarHBondContact O-N 2.76Å; A322-D361 PolarHBondContact N-O 2.87Å; A322-D362 HydrophobicContact CB-CB 3.66Å; A322-D362 WeakPolarHBondContact CB-OD1 3.49Å
323	D	91.7	Very high	90.9	Very high	81 Å²	81	62.2 Å²	62.2	43%	0.433	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-41.1	175.7	-68.5	55.3	0	0	0	111.6	C321 H325 N326 R406	C321-D323 PolarHBondContact O-N 2.8Å; D323-H325 VanDerWaalsContact C-N 3.28Å; D323-H325 PolarHBondContact O-N 3.34Å; D323-N326 PolarHBondContact O-N 2.87Å; D323-N326 VanDerWaalsContact O-N 3.11Å; D323-R406 VanDerWaalsContact CG-CZ 3.46Å; D323-R406 IonicContact OD1-CZ 3.61Å; D323-R406 IonicContact OD1-NE 2.7Å; D323-R406 PolarHBondContact OD1-NE 3.02Å; D323-R406 IonicContact OD1-NH2 3.05Å; D323-R406 PolarHBondContact OD1-NH2 3.22Å; D323-R406 IonicContact OD2-CZ 2.81Å; D323-R406 IonicContact OD2-NE 3.3Å; D323-R406 PolarHBondContact OD2-NE 3.12Å; D323-R406 IonicContact OD2-NH2 3.97Å; D323-R406 PolarHBondContact OD2-NH2 3.03Å
324	D	93	Very high	90.7	Very high	124 Å²	124	65.5 Å²	65.5	66%	0.663	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-30.1	-179.6	-61.6	-42.2	0	0	0	112.2	C321 A322 N326	C321-D324 WeakPolarHBondContact CB-OD2 3.35Å; C321-D324 PolarHBondContact O-N 3.36Å; C321-D324 VanDerWaalsContact O-N 3.15Å; A322-D324 VanDerWaalsContact C-N 3.31Å; A322-D324 PolarHBondContact O-N 3.27Å; D324-N326 VanDerWaalsContact C-N 3.27Å; D324-N326 PolarHBondContact O-N 2.8Å
325	H	93.3	Very high	90.8	Very high	42 Å²	42	65.3 Å²	65.3	19%	0.194	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	13.9	176.5	-64.8	-99.5	0	0	0	113	C321 A322 D323 I327 A339 L340	C321-H325 PolarHBondContact O-CD2 2.69Å; A322-H325 PolarHBondContact O-N 2.99Å; D323-H325 VanDerWaalsContact C-N 3.28Å; D323-H325 PolarHBondContact O-N 3.34Å; H325-I327 HydrophobicContact CB-CD1 4Å; H325-I327 HydrophobicContact CB-CG1 4.27Å; H325-I327 PolarHBondContact O-N 3.38Å; H325-I327 VanDerWaalsContact O-N 3.15Å; H325-A339 PolarHBondContact CE1-O 2.79Å; H325-A339 VanDerWaalsContact ND1-C 3.26Å; H325-A339 PolarHBondContact ND1-O 3.11Å; H325-A339 VanDerWaalsContact ND1-O 3.09Å; H325-L340 HydrophobicContact CB-CB 4.16Å; H325-L340 WeakPolarHBondContact ND1-CA 3.48Å; H325-L340 PolarHBondContact ND1-N 2.86Å
326	N	89.1	Confident	91.2	Very high	134 Å²	134	59.1 Å²	59.1	72%	0.717	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	16.5	180	-64.1	-100.8	0	0	0	114.7	A322 D323 D324	A322-N326 PolarHBondContact O-N 2.88Å; D323-N326 PolarHBondContact O-N 2.87Å; D323-N326 VanDerWaalsContact O-N 3.11Å; D324-N326 VanDerWaalsContact C-N 3.27Å; D324-N326 PolarHBondContact O-N 2.8Å
327	I	91.9	Very high	91.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.314	C	S	.	.			trans	-68.5	138.3	178.3	-63.1	158.6	0	0	0	108.9	A322 H325 P332 Y337 L340 R406	A322-I327 HydrophobicContact CB-CB 3.98Å; A322-I327 HydrophobicContact CB-CD1 3.96Å; A322-I327 HydrophobicContact CB-CG2 4.29Å; A322-I327 WeakPolarHBondContact O-CB 3.45Å; A322-I327 PolarHBondContact O-N 2.76Å; H325-I327 HydrophobicContact CB-CD1 4Å; H325-I327 HydrophobicContact CB-CG1 4.27Å; H325-I327 PolarHBondContact O-N 3.38Å; H325-I327 VanDerWaalsContact O-N 3.15Å; I327-P332 HydrophobicContact CG2-CB 3.95Å; I327-Y337 HydrophobicContact CD1-CD1 3.64Å; I327-Y337 HydrophobicContact CD1-CE1 4.12Å; I327-Y337 HydrophobicContact CD1-CG 4.49Å; I327-Y337 HydrophobicContact CG1-CD1 4.21Å; I327-Y337 HydrophobicContact CG2-CD1 4.28Å; I327-Y337 HydrophobicContact CG2-CE1 3.84Å; I327-L340 HydrophobicContact CD1-CB 3.98Å; I327-L340 HydrophobicContact CD1-CD2 3.57Å; I327-L340 HydrophobicContact CD1-CG 4.43Å; I327-R406 VanDerWaalsContact O-CZ 3.29Å; I327-R406 PolarHBondContact O-NH1 2.88Å; I327-R406 PolarHBondContact O-NH2 3.36Å
328	K	90.5	Very high	91.6	Very high	115 Å²	115	62.8 Å²	62.8	50%	0.5	34%	0.335	S	S	.	.			trans	-117.9	122.1	178.1	-68.3	-172.9	178.7	-170.5	0	109.9	E330 N331 P332	K328-E330 PolarHBondContact O-N 3.49Å; K328-N331 CarbonylContact O-C 3.08Å; K328-N331 PolarHBondContact O-N 3.35Å; K328-N331 VanDerWaalsContact O-N 3.13Å; K328-P332 WeakPolarHBondContact O-CA 3.15Å; K328-P332 WeakPolarHBondContact O-CD 3.49Å
329	P	85.6	Confident	91.7	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.013	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-29	-174	28.8	-37.5	0	0	0	113	P298 T363 R406 L408 M416	P298-P329 HydrophobicContact CG-CB 3.89Å; P298-P329 HydrophobicContact CG-CG 3.64Å; P329-T363 HydrophobicContact CB-CG2 4.2Å; P329-R406 VanDerWaalsContact CD-NH1 3.26Å; P329-L408 HydrophobicContact CG-CD1 3.91Å; P329-M416 HydrophobicContact CB-CE 4.35Å; P329-M416 HydrophobicContact CB-SD 3.8Å
330	E	84.8	Confident	91.8	Very high	80 Å²	80	60.8 Å²	60.8	37%	0.374	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.9	177.3	74	-77.5	-175.2	0	0	114.4	K328 L408	K328-E330 PolarHBondContact O-N 3.49Å; E330-L408 HydrophobicContact CG-CD2 4.43Å
331	N	84.6	Confident	91.7	Very high	124 Å²	124	60.1 Å²	60.1	66%	0.663	32%	0.324	S	S	*	.	S	Bend	trans	-163.6	83	175.5	-178.8	77.3	0	0	0	109.6	K328	K328-N331 CarbonylContact O-C 3.08Å; K328-N331 PolarHBondContact O-N 3.35Å; K328-N331 VanDerWaalsContact O-N 3.13Å
332	P	84.3	Confident	91.8	Very high	49 Å²	49	63.2 Å²	63.2	32%	0.318	34%	0.339	S	S	.	.			trans	-72.3	137.4	-174	27.5	-34.3	0	0	0	111.3	I327 K328 Y337	I327-P332 HydrophobicContact CG2-CB 3.95Å; K328-P332 WeakPolarHBondContact O-CA 3.15Å; K328-P332 WeakPolarHBondContact O-CD 3.49Å; P332-Y337 HydrophobicContact CB-CD2 4.14Å; P332-Y337 HydrophobicContact CB-CE1 4.43Å; P332-Y337 HydrophobicContact CB-CE2 3.41Å; P332-Y337 VanDerWaalsContact CB-CE2 3.41Å; P332-Y337 HydrophobicContact CG-CE2 3.7Å
333	S	88.7	Confident	91.8	Very high	41 Å²	41	64.5 Å²	64.5	29%	0.287	35%	0.35	S	S	.	.			trans	-80	135.3	175	151.7	0	0	0	0	110	E335 G336 Y337	S333-E335 VanDerWaalsContact C-N 3.28Å; S333-E335 PolarHBondContact O-N 3.34Å; S333-E335 PolarHBondContact OG-N 3.46Å; S333-E335 PolarHBondContact OG-OE2 3.33Å; S333-G336 PolarHBondContact O-N 2.71Å; S333-G336 PolarHBondContact OG-N 3.41Å; S333-Y337 PolarHBondContact O-N 3.15Å
334	A	90.2	Very high	92	Very high	73 Å²	73	60.6 Å²	60.6	60%	0.603	33%	0.329	S	S	*	.	H	α-helix	trans	-65.9	-34.3	174.8	0	0	0	0	0	111.4	K338	A334-K338 VanDerWaalsContact O-CB 3.29Å; A334-K338 WeakPolarHBondContact O-CB 3.46Å; A334-K338 PolarHBondContact O-N 3.38Å
335	E	93.4	Very high	92.1	Very high	143 Å²	143	56.9 Å²	56.9	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-65.8	-38.6	172.5	-52.2	79.4	-177.6	0	0	111.5	S333 A339	S333-E335 VanDerWaalsContact C-N 3.28Å; S333-E335 PolarHBondContact O-N 3.34Å; S333-E335 PolarHBondContact OG-N 3.46Å; S333-E335 PolarHBondContact OG-OE2 3.33Å; E335-A339 VanDerWaalsContact O-CB 3.31Å; E335-A339 WeakPolarHBondContact O-CB 3.4Å; E335-A339 PolarHBondContact O-N 3.22Å
336	G	94.2	Very high	92.1	Very high	6 Å²	6	57.1 Å²	57.1	6%	0.062	32%	0.32	C	S	.	.	H	α-helix	trans	-66.3	-49	175.5	0	0	0	0	0	112.8	S333 A339 L340	S333-G336 PolarHBondContact O-N 2.71Å; S333-G336 PolarHBondContact OG-N 3.41Å; G336-A339 PolarHBondContact O-N 3.47Å; G336-L340 PolarHBondContact O-N 2.96Å
337	Y	95.1	Very high	92.2	Very high	31 Å²	31	52.8 Å²	52.8	12%	0.122	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-46.5	173	-79.5	-40.5	0	0	0	111.2	I327 P332 S333 A339 L340 D341 R369	I327-Y337 HydrophobicContact CD1-CD1 3.64Å; I327-Y337 HydrophobicContact CD1-CE1 4.12Å; I327-Y337 HydrophobicContact CD1-CG 4.49Å; I327-Y337 HydrophobicContact CG1-CD1 4.21Å; I327-Y337 HydrophobicContact CG2-CD1 4.28Å; I327-Y337 HydrophobicContact CG2-CE1 3.84Å; P332-Y337 HydrophobicContact CB-CD2 4.14Å; P332-Y337 HydrophobicContact CB-CE1 4.43Å; P332-Y337 HydrophobicContact CB-CE2 3.41Å; P332-Y337 VanDerWaalsContact CB-CE2 3.41Å; P332-Y337 HydrophobicContact CG-CE2 3.7Å; S333-Y337 PolarHBondContact O-N 3.15Å; Y337-A339 VanDerWaalsContact C-N 3.31Å; Y337-A339 PolarHBondContact O-N 3.22Å; Y337-L340 WeakPolarHBondContact O-CA 3.18Å; Y337-L340 WeakPolarHBondContact O-CB 3.35Å; Y337-L340 PolarHBondContact O-N 2.82Å; Y337-D341 PolarHBondContact O-N 2.99Å; Y337-R369 HydrophobicContact CE1-CG 4.29Å
338	K	95.6	Very high	92.1	Very high	127 Å²	127	52.9 Å²	52.9	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-56.5	-45.3	175.8	175.9	168.9	177.5	171	0	111.9	A334 L340 D341 D342	A334-K338 VanDerWaalsContact O-CB 3.29Å; A334-K338 WeakPolarHBondContact O-CB 3.46Å; A334-K338 PolarHBondContact O-N 3.38Å; K338-L340 PolarHBondContact O-N 2.95Å; K338-D341 PolarHBondContact O-N 3.18Å; K338-D342 VanDerWaalsContact CE-OD1 3.3Å; K338-D342 WeakPolarHBondContact CE-OD1 3.24Å; K338-D342 WeakPolarHBondContact CE-OD2 3.48Å; K338-D342 WeakPolarHBondContact CG-OD2 3.27Å; K338-D342 WeakPolarHBondContact O-CB 3.16Å; K338-D342 VanDerWaalsContact O-CG 3.23Å; K338-D342 PolarHBondContact O-N 2.9Å
339	A	96.8	Very high	91.9	Very high	45 Å²	45	51 Å²	51	37%	0.372	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-26.2	179.1	0	0	0	0	0	113.3	H325 E335 G336 Y337 A343	H325-A339 PolarHBondContact CE1-O 2.79Å; H325-A339 VanDerWaalsContact ND1-C 3.26Å; H325-A339 PolarHBondContact ND1-O 3.11Å; H325-A339 VanDerWaalsContact ND1-O 3.09Å; E335-A339 VanDerWaalsContact O-CB 3.31Å; E335-A339 WeakPolarHBondContact O-CB 3.4Å; E335-A339 PolarHBondContact O-N 3.22Å; G336-A339 PolarHBondContact O-N 3.47Å; Y337-A339 VanDerWaalsContact C-N 3.31Å; Y337-A339 PolarHBondContact O-N 3.22Å; A339-A343 WeakPolarHBondContact O-CB 3.18Å
340	L	97.1	Very high	91.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-74.4	-44	171.4	172.6	60.5	0	0	0	110.9	F320 H325 I327 G336 Y337 K338 A343 I344 V360	F320-L340 HydrophobicContact CB-CD1 3.62Å; F320-L340 HydrophobicContact CG-CD1 4.47Å; H325-L340 HydrophobicContact CB-CB 4.16Å; H325-L340 WeakPolarHBondContact ND1-CA 3.48Å; H325-L340 PolarHBondContact ND1-N 2.86Å; I327-L340 HydrophobicContact CD1-CB 3.98Å; I327-L340 HydrophobicContact CD1-CD2 3.57Å; I327-L340 HydrophobicContact CD1-CG 4.43Å; G336-L340 PolarHBondContact O-N 2.96Å; Y337-L340 WeakPolarHBondContact O-CA 3.18Å; Y337-L340 WeakPolarHBondContact O-CB 3.35Å; Y337-L340 PolarHBondContact O-N 2.82Å; K338-L340 PolarHBondContact O-N 2.95Å; L340-A343 WeakPolarHBondContact O-CB 3.21Å; L340-A343 PolarHBondContact O-N 3.16Å; L340-I344 HydrophobicContact CD1-CD1 4.02Å; L340-I344 HydrophobicContact CD1-CG1 4.4Å; L340-I344 HydrophobicContact CG-CD1 3.98Å; L340-I344 WeakPolarHBondContact O-CG1 3.48Å; L340-I344 PolarHBondContact O-N 3Å; L340-V360 HydrophobicContact CD2-CG1 4.31Å
341	D	96.9	Very high	90.8	Very high	22 Å²	22	54.3 Å²	54.3	12%	0.118	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-45	-179.3	-62.3	-27.1	0	0	0	111.9	Y337 K338 A343 I344 V345 R369 I376	Y337-D341 PolarHBondContact O-N 2.99Å; K338-D341 PolarHBondContact O-N 3.18Å; D341-A343 PolarHBondContact O-N 2.85Å; D341-I344 PolarHBondContact O-N 2.93Å; D341-I344 VanDerWaalsContact O-N 3.15Å; D341-V345 WeakPolarHBondContact O-CB 3.4Å; D341-V345 VanDerWaalsContact O-CG2 3.28Å; D341-V345 WeakPolarHBondContact O-CG2 3.27Å; D341-V345 PolarHBondContact O-N 2.88Å; D341-R369 IonicContact OD1-CZ 2.65Å; D341-R369 IonicContact OD1-NH1 2.71Å; D341-R369 PolarHBondContact OD1-NH1 2.95Å; D341-R369 IonicContact OD1-NH2 3.55Å; D341-R369 PolarHBondContact OD1-NH2 3.01Å; D341-R369 IonicContact OD2-CZ 2.59Å; D341-R369 IonicContact OD2-NH1 3.17Å; D341-R369 PolarHBondContact OD2-NH1 2.94Å; D341-R369 IonicContact OD2-NH2 2.66Å; D341-I376 HydrophobicContact CB-CD1 3.77Å
342	D	96.3	Very high	89.4	Confident	88 Å²	88	51.9 Å²	51.9	47%	0.471	32%	0.324	S	S	.	.	H	α-helix	trans	-54.6	-34.5	172.1	-72.4	-19.5	0	0	0	111	K338 A346	K338-D342 VanDerWaalsContact CE-OD1 3.3Å; K338-D342 WeakPolarHBondContact CE-OD1 3.24Å; K338-D342 WeakPolarHBondContact CE-OD2 3.48Å; K338-D342 WeakPolarHBondContact CG-OD2 3.27Å; K338-D342 WeakPolarHBondContact O-CB 3.16Å; K338-D342 VanDerWaalsContact O-CG 3.23Å; K338-D342 PolarHBondContact O-N 2.9Å; D342-A346 WeakPolarHBondContact O-CB 3.19Å; D342-A346 PolarHBondContact O-N 3.25Å
343	A	95.6	Very high	88.1	Confident	27 Å²	27	55 Å²	55	22%	0.223	35%	0.353	C	S	.	.	H	α-helix	trans	-79.1	-37	178.5	0	0	0	0	0	113.4	F320 A339 L340 D341 R347	F320-A343 HydrophobicContact CD1-CB 4.15Å; F320-A343 HydrophobicContact CE1-CB 3.95Å; A339-A343 WeakPolarHBondContact O-CB 3.18Å; L340-A343 WeakPolarHBondContact O-CB 3.21Å; L340-A343 PolarHBondContact O-N 3.16Å; D341-A343 PolarHBondContact O-N 2.85Å; A343-R347 PolarHBondContact O-N 3.02Å; A343-R347 VanDerWaalsContact O-N 3.1Å
344	I	95.4	Very high	86.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-49	171	-68.3	160.7	0	0	0	109.6	L291 F320 L340 D341 A346 R347 C348 I358 V360 L373 I376	L291-I344 HydrophobicContact CD1-CG2 4.06Å; F320-I344 HydrophobicContact CD2-CG1 4.32Å; F320-I344 HydrophobicContact CG-CG1 4.27Å; L340-I344 HydrophobicContact CD1-CD1 4.02Å; L340-I344 HydrophobicContact CD1-CG1 4.4Å; L340-I344 HydrophobicContact CG-CD1 3.98Å; L340-I344 WeakPolarHBondContact O-CG1 3.48Å; L340-I344 PolarHBondContact O-N 3Å; D341-I344 PolarHBondContact O-N 2.93Å; D341-I344 VanDerWaalsContact O-N 3.15Å; I344-A346 PolarHBondContact O-N 2.84Å; I344-R347 CarbonylContact O-C 3.56Å; I344-R347 PolarHBondContact O-N 3.18Å; I344-R347 VanDerWaalsContact O-N 3.07Å; I344-C348 PolarHBondContact O-N 3.25Å; I344-C348 PolarHBondContact O-SG 2.87Å; I344-I358 HydrophobicContact CG1-CG2 4.46Å; I344-I358 HydrophobicContact CG2-CD1 4.18Å; I344-I358 HydrophobicContact CG2-CG2 4.32Å; I344-V360 HydrophobicContact CD1-CG1 4.43Å; I344-V360 HydrophobicContact CD1-CG2 3.62Å; I344-V360 HydrophobicContact CG1-CG2 4.35Å; I344-L373 HydrophobicContact CD1-CD2 4.08Å; I344-I376 HydrophobicContact CG2-CG2 3.76Å
345	V	95	Very high	86.1	Confident	45 Å²	45	53.9 Å²	53.9	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-58.5	-43.3	176.9	165.3	0	0	0	0	111.6	D341 R347 C348 C349 I376	D341-V345 WeakPolarHBondContact O-CB 3.4Å; D341-V345 VanDerWaalsContact O-CG2 3.28Å; D341-V345 WeakPolarHBondContact O-CG2 3.27Å; D341-V345 PolarHBondContact O-N 2.88Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.26Å; V345-C348 WeakPolarHBondContact O-CB 3.5Å; V345-C348 PolarHBondContact O-N 2.73Å; V345-C349 PolarHBondContact O-N 3.22Å; V345-C349 VanDerWaalsContact O-N 3.12Å; V345-C349 PolarHBondContact O-SG 3.21Å; V345-C349 VanDerWaalsContact O-SG 3.32Å; V345-I376 HydrophobicContact CG2-CG1 4.45Å; V345-I376 HydrophobicContact CG2-CG2 4.15Å
346	A	93.6	Very high	85.7	Confident	47 Å²	47	47.1 Å²	47.1	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-57.6	-47	172.9	0	0	0	0	0	111.4	D342 I344 C348 C349 D350	D342-A346 WeakPolarHBondContact O-CB 3.19Å; D342-A346 PolarHBondContact O-N 3.25Å; I344-A346 PolarHBondContact O-N 2.84Å; A346-C348 VanDerWaalsContact C-N 3.33Å; A346-C348 PolarHBondContact O-N 3.25Å; A346-C349 WeakPolarHBondContact O-CB 3.36Å; A346-C349 PolarHBondContact O-N 3.18Å; A346-C349 VanDerWaalsContact O-N 3.09Å; A346-D350 PolarHBondContact O-N 3.18Å
347	R	91.5	Very high	85.7	Confident	44 Å²	44	47 Å²	47	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-29.7	178.8	-176	62.7	-165.3	98.6	-9.2	113.6	S318 F320 A343 I344 V345 C349 D350 V356 I358	S318-R347 PolarHBondContact OG-NE 3.04Å; S318-R347 VanDerWaalsContact OG-NE 3.11Å; F320-R347 HydrophobicContact CE2-CB 4.14Å; F320-R347 HydrophobicContact CE2-CG 4.12Å; F320-R347 HydrophobicContact CZ-CB 3.73Å; F320-R347 HydrophobicContact CZ-CG 4.03Å; A343-R347 PolarHBondContact O-N 3.02Å; A343-R347 VanDerWaalsContact O-N 3.1Å; I344-R347 CarbonylContact O-C 3.56Å; I344-R347 PolarHBondContact O-N 3.18Å; I344-R347 VanDerWaalsContact O-N 3.07Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.26Å; R347-C349 VanDerWaalsContact C-N 3.3Å; R347-D350 PolarHBondContact NH1-O 3.3Å; R347-V356 HydrophobicContact CG-CG2 4.15Å; R347-V356 VanDerWaalsContact CZ-CG2 3.43Å; R347-I358 HydrophobicContact CB-CD1 4.17Å; R347-I358 HydrophobicContact CG-CD1 3.99Å; R347-I358 HydrophobicContact CG-CG1 4.25Å
348	C	89	Confident	85.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-67	-29.6	171.4	-69.8	0	0	0	0	113.1	R289 I344 V345 A346 I358 H380 L382	R289-C348 PolarHBondContact NH1-O 2.88Å; R289-C348 PolarHBondContact NH2-O 2.71Å; I344-C348 PolarHBondContact O-N 3.25Å; I344-C348 PolarHBondContact O-SG 2.87Å; V345-C348 WeakPolarHBondContact O-CB 3.5Å; V345-C348 PolarHBondContact O-N 2.73Å; A346-C348 VanDerWaalsContact C-N 3.33Å; A346-C348 PolarHBondContact O-N 3.25Å; C348-I358 WeakPolarHBondContact SG-CD1 3.46Å; C348-H380 HydrophobicContact CB-CB 3.92Å; C348-L382 HydrophobicContact CB-CD1 4.46Å; C348-L382 VanDerWaalsContact SG-CD1 3.6Å
349	C	86.2	Confident	85.8	Confident	76 Å²	76	39.4 Å²	39.4	51%	0.514	28%	0.276	S	S	.	.	H	α-helix	trans	-88.2	-29.5	178.1	-68.2	0	0	0	0	113.3	V345 A346 R347 G351	V345-C349 PolarHBondContact O-N 3.22Å; V345-C349 VanDerWaalsContact O-N 3.12Å; V345-C349 PolarHBondContact O-SG 3.21Å; V345-C349 VanDerWaalsContact O-SG 3.32Å; A346-C349 WeakPolarHBondContact O-CB 3.36Å; A346-C349 PolarHBondContact O-N 3.18Å; A346-C349 VanDerWaalsContact O-N 3.09Å; R347-C349 VanDerWaalsContact C-N 3.3Å; C349-G351 PolarHBondContact O-N 2.63Å
350	D	82.2	Confident	85.9	Confident	102 Å²	102	37.3 Å²	37.3	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	100.2	179.1	-85.4	-27.9	0	0	0	112	A346 R347	A346-D350 PolarHBondContact O-N 3.18Å; R347-D350 PolarHBondContact NH1-O 3.3Å
351	G	64.2	Low	85.9	Confident	50 Å²	50	37.6 Å²	37.6	52%	0.515	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	63.8	178.8	0	0	0	0	0	112.6	C349 A353 S354	C349-G351 PolarHBondContact O-N 2.63Å; G351-A353 PolarHBondContact O-N 2.9Å; G351-S354 WeakPolarHBondContact O-CB 3.43Å; G351-S354 PolarHBondContact O-N 3.27Å; G351-S354 PolarHBondContact O-OG 3.31Å
352	A	57.2	Low	85.9	Confident	73 Å²	73	36.8 Å²	36.8	60%	0.603	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-27.6	-173.2	0	0	0	0	0	117	R289	R289-A352 PolarHBondContact NH1-O 2.94Å
353	A	55.8	Low	85.8	Confident	113 Å²	113	32.9 Å²	32.9	93%	0.934	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	4.1	177.3	0	0	0	0	0	115	G351	G351-A353 PolarHBondContact O-N 2.9Å
354	S	64.3	Low	85.8	Confident	53 Å²	53	31.6 Å²	31.6	37%	0.371	22%	0.224	S	C	.	.	S	Bend	trans	-97.7	148.7	175	64.9	0	0	0	0	111.6	G351	G351-S354 WeakPolarHBondContact O-CB 3.43Å; G351-S354 PolarHBondContact O-N 3.27Å; G351-S354 PolarHBondContact O-OG 3.31Å
355	S	73.3	Confident	85.7	Confident	38 Å²	38	32.2 Å²	32.2	27%	0.266	23%	0.227	S	C	.	.			trans	-66.4	147.6	168.1	48.7	0	0	0	0	110.3	R286 S288	R286-S355 WeakPolarHBondContact O-CB 3.31Å; R286-S355 PolarHBondContact O-OG 3.34Å; S288-S355 CarbonylContact O-C 3.58Å; S288-S355 VanDerWaalsContact O-CA 3.24Å; S288-S355 WeakPolarHBondContact O-CA 3.34Å; S288-S355 WeakPolarHBondContact O-CB 3.45Å
356	V	84.6	Confident	85.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	121.1	-177.8	65.7	0	0	0	0	110.5	S288 R289 T290 R347 I358 L382	S288-V356 PolarHBondContact O-N 3.31Å; R289-V356 HydrophobicContact CB-CG1 4.25Å; R289-V356 HydrophobicContact CG-CG1 4.22Å; T290-V356 PolarHBondContact N-O 2.9Å; R347-V356 HydrophobicContact CG-CG2 4.15Å; R347-V356 VanDerWaalsContact CZ-CG2 3.43Å; V356-I358 HydrophobicContact CG2-CD1 4.2Å; V356-I358 HydrophobicContact CG2-CG1 3.69Å; V356-L382 HydrophobicContact CG1-CD2 4.09Å
357	L	93.5	Very high	85.7	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.8	169.5	-171.2	68.6	0	0	0	108.9	T290 I292 I309 Y313 Q316 C317 S318	T290-L357 HydrophobicContact CG2-CD1 3.67Å; I292-L357 HydrophobicContact CD1-CD1 3.79Å; I292-L357 HydrophobicContact CD1-CD2 4.33Å; I292-L357 HydrophobicContact CD1-CG 4.3Å; I292-L357 HydrophobicContact CG1-CD1 4.06Å; I309-L357 HydrophobicContact CG2-CD2 3.84Å; Y313-L357 HydrophobicContact CD1-CD2 3.67Å; Y313-L357 HydrophobicContact CD2-CD2 3.47Å; Y313-L357 VanDerWaalsContact CD2-CD2 3.47Å; Y313-L357 HydrophobicContact CE1-CD2 4Å; Y313-L357 HydrophobicContact CE2-CD2 3.82Å; Y313-L357 HydrophobicContact CG-CD2 3.37Å; Q316-L357 PolarHBondContact O-N 2.98Å; Q316-L357 VanDerWaalsContact O-N 3.11Å; C317-L357 CarbonylContact C-O 3.53Å; C317-L357 WeakPolarHBondContact CA-O 3.38Å; S318-L357 PolarHBondContact N-O 3.12Å
358	I	96.1	Very high	85.8	Confident	0 Å²	0	34 Å²	34	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.9	177	-56.9	-174.4	0	0	0	108.6	T290 L291 I292 S318 F320 I344 R347 C348 V356 V360 L382	T290-I358 PolarHBondContact O-N 3.38Å; L291-I358 HydrophobicContact CD1-CB 3.83Å; L291-I358 HydrophobicContact CD1-CG2 3.64Å; I292-I358 PolarHBondContact N-O 2.89Å; S318-I358 WeakPolarHBondContact O-CA 3.12Å; F320-I358 HydrophobicContact CD2-CG2 3.78Å; F320-I358 HydrophobicContact CE2-CG2 3.93Å; I344-I358 HydrophobicContact CG1-CG2 4.46Å; I344-I358 HydrophobicContact CG2-CD1 4.18Å; I344-I358 HydrophobicContact CG2-CG2 4.32Å; R347-I358 HydrophobicContact CB-CD1 4.17Å; R347-I358 HydrophobicContact CG-CD1 3.99Å; R347-I358 HydrophobicContact CG-CG1 4.25Å; C348-I358 WeakPolarHBondContact SG-CD1 3.46Å; V356-I358 HydrophobicContact CG2-CD1 4.2Å; V356-I358 HydrophobicContact CG2-CG1 3.69Å; I358-V360 HydrophobicContact CG2-CG2 4.46Å; I358-L382 HydrophobicContact CD1-CD2 4.32Å
359	V	98.1	Very high	86.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.2	174.1	-176.6	0	0	0	0	109.3	I292 L294 A306 I309 S318 V319 F320	I292-V359 HydrophobicContact CB-CG2 4.26Å; I292-V359 HydrophobicContact CD1-CG2 4.49Å; I292-V359 HydrophobicContact CG2-CG1 4.42Å; I292-V359 CarbonylContact O-C 3.59Å; I292-V359 WeakPolarHBondContact O-CA 3.02Å; L294-V359 HydrophobicContact CD1-CG1 3.93Å; L294-V359 HydrophobicContact CG-CG1 4.01Å; A306-V359 HydrophobicContact CB-CG1 4.15Å; I309-V359 HydrophobicContact CB-CG2 4.33Å; I309-V359 HydrophobicContact CG2-CG2 3.67Å; S318-V359 PolarHBondContact O-N 3.23Å; V319-V359 CarbonylContact C-O 3.59Å; V319-V359 WeakPolarHBondContact CA-O 3.37Å; V319-V359 HydrophobicContact CB-CB 4.5Å; V319-V359 HydrophobicContact CG1-CB 4.36Å; V319-V359 HydrophobicContact CG1-CG1 4.45Å; V319-V359 HydrophobicContact CG2-CB 4.17Å; F320-V359 PolarHBondContact N-O 3.07Å
360	V	98.3	Very high	86.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	105.8	175.2	-173.2	0	0	0	0	108.9	L291 I292 L294 L340 I344 I358 D362 L373	L291-V360 HydrophobicContact CD1-CG2 3.86Å; I292-V360 PolarHBondContact O-N 2.59Å; L294-V360 WeakPolarHBondContact CB-O 3.36Å; L294-V360 PolarHBondContact N-O 3.46Å; L340-V360 HydrophobicContact CD2-CG1 4.31Å; I344-V360 HydrophobicContact CD1-CG1 4.43Å; I344-V360 HydrophobicContact CD1-CG2 3.62Å; I344-V360 HydrophobicContact CG1-CG2 4.35Å; I358-V360 HydrophobicContact CG2-CG2 4.46Å; V360-D362 HydrophobicContact CG1-CB 4.48Å; V360-D362 PolarHBondContact O-N 3.04Å; V360-L373 HydrophobicContact CG1-CD1 4.29Å; V360-L373 HydrophobicContact CG2-CD2 4.25Å
361	D	97.5	Very high	87.3	Confident	7 Å²	7	26 Å²	26	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	83.3	173	-173.6	22.4	0	0	0	109.9	L294 K302 S303 A306 F320 A322	L294-D361 HydrophobicContact CD1-CB 4.35Å; K302-D361 WeakPolarHBondContact CB-OD1 3.46Å; S303-D361 WeakPolarHBondContact CA-OD2 3.37Å; S303-D361 WeakPolarHBondContact CB-OD2 3.48Å; S303-D361 PolarHBondContact N-OD1 2.81Å; S303-D361 PolarHBondContact N-OD2 3.41Å; S303-D361 PolarHBondContact OG-OD2 2.91Å; A306-D361 HydrophobicContact CB-CB 4.22Å; F320-D361 PolarHBondContact O-N 2.66Å; A322-D361 PolarHBondContact N-O 2.87Å
362	D	95.6	Very high	88.8	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-129.8	164.6	167.1	-176.9	45.3	0	0	0	111	K302 A322 V360 N364	K302-D362 WeakPolarHBondContact CD-O 3.43Å; K302-D362 WeakPolarHBondContact CE-O 3.48Å; A322-D362 HydrophobicContact CB-CB 3.66Å; A322-D362 WeakPolarHBondContact CB-OD1 3.49Å; V360-D362 HydrophobicContact CG1-CB 4.48Å; V360-D362 PolarHBondContact O-N 3.04Å; D362-N364 VanDerWaalsContact C-N 3.25Å; D362-N364 PolarHBondContact O-N 3.01Å; D362-N364 PolarHBondContact OD2-N 3.41Å; D362-N364 PolarHBondContact OD2-OD1 3.27Å
363	T	94	Very high	90.8	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.037	14%	0.141	C	C	.	.			trans	-59.1	-33.4	172.4	-55.6	0	0	0	0	112.6	G296 P298 P329 H365 M416	G296-T363 PolarHBondContact N-O 3.18Å; G296-T363 WeakPolarHBondContact O-CA 3.47Å; G296-T363 WeakPolarHBondContact O-CG2 3.32Å; P298-T363 HydrophobicContact CG-CG2 4.43Å; P329-T363 HydrophobicContact CB-CG2 4.2Å; T363-H365 HydrophobicContact CG2-CB 4.05Å; T363-H365 WeakPolarHBondContact CG2-ND1 3.47Å; T363-H365 PolarHBondContact O-N 2.89Å; T363-M416 HydrophobicContact CG2-SD 4.21Å
364	N	95.5	Very high	92.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.098	C	C	.	.			trans	41.1	48.8	169.7	-72.7	-41.3	0	0	0	113.5	V293 L294 R295 D362 R369 L370 L373	V293-N364 HydrophobicContact CG1-CB 4.3Å; L294-N364 WeakPolarHBondContact O-CB 3.45Å; L294-N364 PolarHBondContact O-ND2 2.94Å; R295-N364 HydrophobicContact CB-CB 3.98Å; D362-N364 VanDerWaalsContact C-N 3.25Å; D362-N364 PolarHBondContact O-N 3.01Å; D362-N364 PolarHBondContact OD2-N 3.41Å; D362-N364 PolarHBondContact OD2-OD1 3.27Å; N364-R369 WeakPolarHBondContact OD1-CG 3.33Å; N364-R369 PolarHBondContact OD1-NE 2.98Å; N364-L370 HydrophobicContact CB-CD2 4.13Å; N364-L373 WeakPolarHBondContact OD1-CD1 3.44Å
365	H	93.6	Very high	94.2	Very high	14 Å²	14	15.8 Å²	15.8	7%	0.065	9%	0.09	C	C	.	.			trans	-101.1	-4	-168.1	68	-76.9	0	0	0	114.3	T363 P419 L420	T363-H365 HydrophobicContact CG2-CB 4.05Å; T363-H365 WeakPolarHBondContact CG2-ND1 3.47Å; T363-H365 PolarHBondContact O-N 2.89Å; H365-P419 CarbonylContact O-C 3.01Å; H365-P419 WeakPolarHBondContact O-CB 3.49Å; H365-P419 VanDerWaalsContact O-O 3.11Å; H365-L420 HydrophobicContact CB-CB 4.15Å; H365-L420 HydrophobicContact CB-CD1 4.12Å; H365-L420 PolarHBondContact O-N 3.37Å
366	T	93.8	Very high	95.2	Very high	45 Å²	45	14.6 Å²	14.6	28%	0.276	8%	0.08	S	C	.	.	S	Bend	trans	-108.6	150	179.8	59.5	0	0	0	0	110.9	D368 R369 L370 P419	T366-D368 PolarHBondContact O-N 2.86Å; T366-R369 PolarHBondContact O-N 3.18Å; T366-R369 WeakPolarHBondContact OG1-CB 3.41Å; T366-L370 PolarHBondContact O-N 3.17Å; T366-P419 HydrophobicContact CG2-CB 4.38Å
367	H	94.8	Very high	95.7	Very high	17 Å²	17	14.6 Å²	14.6	8%	0.079	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-51.7	-179.3	-179.1	78.6	0	0	0	111.7	R369 L370 A371 T423 Y494 G635 R636 K637	H367-R369 PolarHBondContact O-N 3.14Å; H367-L370 PolarHBondContact O-N 2.95Å; H367-A371 WeakPolarHBondContact NE2-CB 3.4Å; H367-A371 PolarHBondContact O-N 3.21Å; H367-T423 HydrophobicContact CB-CG2 4.04Å; H367-T423 VanDerWaalsContact N-CG2 3.34Å; H367-Y494 AromaticContact CE1-CD1 3.2Å; H367-Y494 WeakPolarHBondContact CE1-CD1 3.27Å; H367-Y494 AromaticContact CE1-CE1 2.41Å; H367-Y494 WeakPolarHBondContact CE1-CE1 3.29Å; H367-Y494 AromaticContact CE1-CE2 3.71Å; H367-Y494 AromaticContact CE1-CZ 2.73Å; H367-Y494 PolarHBondContact CE1-OH 3.17Å; H367-Y494 AromaticContact ND1-CE1 3.98Å; H367-G635 PolarHBondContact CE1-O 2.88Å; H367-G635 PolarHBondContact NE2-O 2.87Å; H367-R636 WeakPolarHBondContact NE2-CA 3.47Å; H367-R636 PolarHBondContact NE2-N 3.11Å; H367-K637 VanDerWaalsContact CG-NZ 3.31Å; H367-K637 VanDerWaalsContact ND1-CE 3.35Å; H367-K637 WeakPolarHBondContact ND1-CE 3.41Å; H367-K637 PolarHBondContact ND1-NZ 2.64Å; H367-K637 PolarHBondContact NE2-N 2.98Å
368	D	94.4	Very high	95.7	Very high	110 Å²	110	17.3 Å²	17.3	59%	0.588	9%	0.093	S	C	*	.	H	α-helix	trans	-62.6	-28.5	-173.4	-49.2	-20.4	0	0	0	112	T366 S372	T366-D368 PolarHBondContact O-N 2.86Å; D368-S372 VanDerWaalsContact O-CB 3.29Å; D368-S372 WeakPolarHBondContact O-CB 3.38Å; D368-S372 PolarHBondContact O-N 3.39Å
369	R	95.3	Very high	95.5	Very high	10 Å²	10	24.3 Å²	24.3	4%	0.038	13%	0.126	C	C	.	.	H	α-helix	trans	-73.6	-41	175.7	-177.7	60.1	-168.9	159.5	-2.8	112.3	Y337 D341 N364 T366 H367 A371 L373	Y337-R369 HydrophobicContact CE1-CG 4.29Å; D341-R369 IonicContact OD1-CZ 2.65Å; D341-R369 IonicContact OD1-NH1 2.71Å; D341-R369 PolarHBondContact OD1-NH1 2.95Å; D341-R369 IonicContact OD1-NH2 3.55Å; D341-R369 PolarHBondContact OD1-NH2 3.01Å; D341-R369 IonicContact OD2-CZ 2.59Å; D341-R369 IonicContact OD2-NH1 3.17Å; D341-R369 PolarHBondContact OD2-NH1 2.94Å; D341-R369 IonicContact OD2-NH2 2.66Å; N364-R369 WeakPolarHBondContact OD1-CG 3.33Å; N364-R369 PolarHBondContact OD1-NE 2.98Å; T366-R369 PolarHBondContact O-N 3.18Å; T366-R369 WeakPolarHBondContact OG1-CB 3.41Å; H367-R369 PolarHBondContact O-N 3.14Å; R369-A371 VanDerWaalsContact C-N 3.34Å; R369-L373 HydrophobicContact CG-CD1 4.47Å; R369-L373 WeakPolarHBondContact O-CG 3.47Å; R369-L373 PolarHBondContact O-N 2.85Å; R369-L373 VanDerWaalsContact O-N 3.1Å
370	L	96.9	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-38.8	175	-63	167.4	0	0	0	111.1	V293 R295 N364 T366 H367 L373 G374 F386 T423 Y634	V293-L370 HydrophobicContact CG1-CD2 4.14Å; R295-L370 VanDerWaalsContact NH1-CD1 3.29Å; N364-L370 HydrophobicContact CB-CD2 4.13Å; T366-L370 PolarHBondContact O-N 3.17Å; H367-L370 PolarHBondContact O-N 2.95Å; L370-L373 PolarHBondContact O-N 2.76Å; L370-G374 PolarHBondContact O-N 2.84Å; L370-F386 HydrophobicContact CB-CE1 4.3Å; L370-F386 HydrophobicContact CD2-CD1 3.72Å; L370-F386 HydrophobicContact CD2-CE1 3.95Å; L370-T423 HydrophobicContact CD1-CG2 3.84Å; L370-Y634 HydrophobicContact CB-CD1 4.21Å; L370-Y634 HydrophobicContact CB-CG 4.06Å; L370-Y634 HydrophobicContact CD1-CD1 4.08Å; L370-Y634 HydrophobicContact CD1-CE1 4.06Å
371	A	96.6	Very high	94.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-51.7	173.4	0	0	0	0	0	112	H367 R369 L373 G374 E375 Y634 G635 R636	H367-A371 WeakPolarHBondContact NE2-CB 3.4Å; H367-A371 PolarHBondContact O-N 3.21Å; R369-A371 VanDerWaalsContact C-N 3.34Å; A371-L373 VanDerWaalsContact C-N 3.29Å; A371-L373 PolarHBondContact O-N 2.9Å; A371-G374 WeakPolarHBondContact O-CA 3.33Å; A371-G374 PolarHBondContact O-N 3.33Å; A371-E375 WeakPolarHBondContact O-CG 3.19Å; A371-E375 PolarHBondContact O-N 3Å; A371-Y634 WeakPolarHBondContact CA-O 3.28Å; A371-G635 WeakPolarHBondContact CB-O 3.39Å; A371-R636 HydrophobicContact CB-CG 4.11Å
372	S	96.4	Very high	94.5	Very high	32 Å²	32	29.3 Å²	29.3	22%	0.224	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-35.9	177.7	167.8	0	0	0	0	113.1	D368 I376	D368-S372 VanDerWaalsContact O-CB 3.29Å; D368-S372 WeakPolarHBondContact O-CB 3.38Å; D368-S372 PolarHBondContact O-N 3.39Å; S372-I376 WeakPolarHBondContact O-CD1 3.42Å; S372-I376 VanDerWaalsContact O-CG1 3.31Å; S372-I376 WeakPolarHBondContact O-CG1 3.14Å; S372-I376 PolarHBondContact O-N 3.03Å; S372-I376 VanDerWaalsContact O-N 3.13Å
373	L	97.4	Very high	94.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-75.1	-29.8	173.8	-73.3	171	0	0	0	113	L291 V293 I344 V360 N364 R369 L370 A371 I376 A377	L291-L373 HydrophobicContact CD2-CB 4.4Å; L291-L373 WeakPolarHBondContact CD2-O 3.32Å; V293-L373 HydrophobicContact CG1-CD1 3.66Å; V293-L373 HydrophobicContact CG2-CB 4.04Å; V293-L373 HydrophobicContact CG2-CD1 4.07Å; I344-L373 HydrophobicContact CD1-CD2 4.08Å; V360-L373 HydrophobicContact CG1-CD1 4.29Å; V360-L373 HydrophobicContact CG2-CD2 4.25Å; N364-L373 WeakPolarHBondContact OD1-CD1 3.44Å; R369-L373 HydrophobicContact CG-CD1 4.47Å; R369-L373 WeakPolarHBondContact O-CG 3.47Å; R369-L373 PolarHBondContact O-N 2.85Å; R369-L373 VanDerWaalsContact O-N 3.1Å; L370-L373 PolarHBondContact O-N 2.76Å; A371-L373 VanDerWaalsContact C-N 3.29Å; A371-L373 PolarHBondContact O-N 2.9Å; L373-I376 HydrophobicContact CD2-CD1 4.44Å; L373-A377 PolarHBondContact O-N 2.89Å
374	G	96.1	Very high	94.7	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-42.7	169.6	0	0	0	0	0	112.2	L370 A371 A377 E378	L370-G374 PolarHBondContact O-N 2.84Å; A371-G374 WeakPolarHBondContact O-CA 3.33Å; A371-G374 PolarHBondContact O-N 3.33Å; G374-A377 WeakPolarHBondContact O-CB 3.46Å; G374-A377 PolarHBondContact O-N 3.27Å; G374-E378 PolarHBondContact O-N 3.12Å
375	E	95.3	Very high	94.8	Very high	41 Å²	41	29.6 Å²	29.6	19%	0.192	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-45.3	176	-70.3	169.4	163.2	0	0	111.7	A371 A377 E378 E379 R636	A371-E375 WeakPolarHBondContact O-CG 3.19Å; A371-E375 PolarHBondContact O-N 3Å; E375-A377 PolarHBondContact O-N 3.4Å; E375-E378 PolarHBondContact O-N 3.02Å; E375-E378 VanDerWaalsContact O-N 3.11Å; E375-E379 WeakPolarHBondContact O-CB 3.21Å; E375-E379 WeakPolarHBondContact O-CG 3.25Å; E375-E379 PolarHBondContact O-N 3.38Å; E375-R636 VanDerWaalsContact CD-NE 3.28Å; E375-R636 WeakPolarHBondContact OE1-CD 3.46Å; E375-R636 VanDerWaalsContact OE1-CG 3.26Å; E375-R636 WeakPolarHBondContact OE1-CG 3.29Å; E375-R636 IonicContact OE1-CZ 2.98Å; E375-R636 IonicContact OE1-NE 3.36Å; E375-R636 PolarHBondContact OE1-NE 3.33Å; E375-R636 IonicContact OE1-NH2 3.2Å; E375-R636 PolarHBondContact OE1-NH2 3.45Å; E375-R636 IonicContact OE2-CZ 3.4Å; E375-R636 VanDerWaalsContact OE2-CZ 3.31Å; E375-R636 IonicContact OE2-NE 2.76Å; E375-R636 PolarHBondContact OE2-NE 3.3Å; E375-R636 IonicContact OE2-NH2 3.28Å; E375-R636 PolarHBondContact OE2-NH2 3.15Å
376	I	95.4	Very high	95	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.067	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-31.9	174.7	-68.9	163.8	0	0	0	112	D341 I344 V345 S372 L373 H380	D341-I376 HydrophobicContact CB-CD1 3.77Å; I344-I376 HydrophobicContact CG2-CG2 3.76Å; V345-I376 HydrophobicContact CG2-CG1 4.45Å; V345-I376 HydrophobicContact CG2-CG2 4.15Å; S372-I376 WeakPolarHBondContact O-CD1 3.42Å; S372-I376 VanDerWaalsContact O-CG1 3.31Å; S372-I376 WeakPolarHBondContact O-CG1 3.14Å; S372-I376 PolarHBondContact O-N 3.03Å; S372-I376 VanDerWaalsContact O-N 3.13Å; L373-I376 HydrophobicContact CD2-CD1 4.44Å; I376-H380 PolarHBondContact O-CD2 3.11Å
377	A	94.8	Very high	95.1	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-71.1	-42.7	173.6	0	0	0	0	0	111.6	L291 L373 G374 E375 N381 L382 A384	L291-A377 HydrophobicContact CB-CB 4.36Å; L291-A377 HydrophobicContact CD2-CB 3.94Å; L373-A377 PolarHBondContact O-N 2.89Å; G374-A377 WeakPolarHBondContact O-CB 3.46Å; G374-A377 PolarHBondContact O-N 3.27Å; E375-A377 PolarHBondContact O-N 3.4Å; A377-N381 PolarHBondContact O-N 3.16Å; A377-N381 VanDerWaalsContact O-N 3.08Å; A377-L382 HydrophobicContact CB-CB 4.32Å; A377-L382 PolarHBondContact O-N 2.85Å; A377-A384 HydrophobicContact CB-CB 3.91Å
378	E	93	Very high	95.2	Very high	58 Å²	58	29.3 Å²	29.3	27%	0.271	15%	0.15	S	C	.	.	H	α-helix	trans	-66.8	-51.6	179.4	-173.5	152.1	-111.4	0	0	112.5	G374 E375 H380 N381 G483 I484	G374-E378 PolarHBondContact O-N 3.12Å; E375-E378 PolarHBondContact O-N 3.02Å; E375-E378 VanDerWaalsContact O-N 3.11Å; E378-H380 PolarHBondContact O-N 2.99Å; E378-N381 PolarHBondContact O-N 2.91Å; E378-N381 VanDerWaalsContact O-N 3.16Å; E378-G483 WeakPolarHBondContact OE1-CA 3.32Å; E378-I484 HydrophobicContact CG-CG1 4.46Å; E378-I484 PolarHBondContact OE1-N 3.43Å
379	E	92.3	Very high	95.2	Very high	148 Å²	148	24.4 Å²	24.4	69%	0.692	12%	0.124	S	C	*	.	H	α-helix	trans	-58.4	-22.4	178.8	-71.1	-178.7	173.8	0	0	113.7	E375	E375-E379 WeakPolarHBondContact O-CB 3.21Å; E375-E379 WeakPolarHBondContact O-CG 3.25Å; E375-E379 PolarHBondContact O-N 3.38Å
380	H	91.3	Very high	95.1	Very high	39 Å²	39	28 Å²	28	18%	0.181	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	16.1	-178.1	-66.4	-58.9	0	0	0	114.3	R289 C348 I376 E378 L382	R289-H380 PolarHBondContact NE-O 2.95Å; R289-H380 PolarHBondContact NH2-O 2.85Å; C348-H380 HydrophobicContact CB-CB 3.92Å; I376-H380 PolarHBondContact O-CD2 3.11Å; E378-H380 PolarHBondContact O-N 2.99Å; H380-L382 VanDerWaalsContact C-N 3.34Å; H380-L382 HydrophobicContact CB-CD1 3.36Å; H380-L382 WeakPolarHBondContact O-CD1 3.2Å; H380-L382 PolarHBondContact O-N 2.96Å
381	N	89.9	Confident	95	Very high	73 Å²	73	28.2 Å²	28.2	39%	0.39	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	44.4	177.1	-69.7	-30.6	0	0	0	114.3	A377 E378 S435	A377-N381 PolarHBondContact O-N 3.16Å; A377-N381 VanDerWaalsContact O-N 3.08Å; E378-N381 PolarHBondContact O-N 2.91Å; E378-N381 VanDerWaalsContact O-N 3.16Å; N381-S435 PolarHBondContact O-OG 3.38Å
382	L	92.9	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-100.7	142.9	171	-54.5	98.9	0	0	0	111.2	R289 L291 C348 V356 I358 A377 H380 A384 I484	R289-L382 HydrophobicContact CB-CB 4.46Å; R289-L382 HydrophobicContact CB-CD2 4.29Å; R289-L382 HydrophobicContact CB-CG 4.03Å; R289-L382 WeakPolarHBondContact O-CA 3.16Å; L291-L382 HydrophobicContact CB-CB 4.34Å; L291-L382 HydrophobicContact CB-CD2 4.42Å; C348-L382 HydrophobicContact CB-CD1 4.46Å; C348-L382 VanDerWaalsContact SG-CD1 3.6Å; V356-L382 HydrophobicContact CG1-CD2 4.09Å; I358-L382 HydrophobicContact CD1-CD2 4.32Å; A377-L382 HydrophobicContact CB-CB 4.32Å; A377-L382 PolarHBondContact O-N 2.85Å; H380-L382 VanDerWaalsContact C-N 3.34Å; H380-L382 HydrophobicContact CB-CD1 3.36Å; H380-L382 WeakPolarHBondContact O-CD1 3.2Å; H380-L382 PolarHBondContact O-N 2.96Å; L382-A384 PolarHBondContact O-N 3.04Å; L382-I484 WeakPolarHBondContact O-CD1 3.35Å
383	V	94.9	Very high	94.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.7	165	169	0	0	0	0	109.3	R289 T290 L291 I385 F432 F434 C629	R289-V383 PolarHBondContact O-N 2.99Å; T290-V383 CarbonylContact C-O 3.6Å; T290-V383 VanDerWaalsContact CA-O 3.3Å; T290-V383 WeakPolarHBondContact CA-O 3.17Å; T290-V383 WeakPolarHBondContact CG2-O 3.44Å; L291-V383 PolarHBondContact N-O 2.84Å; V383-I385 HydrophobicContact CG1-CG1 4.17Å; V383-F432 HydrophobicContact CG1-CB 4.43Å; V383-F432 HydrophobicContact CG2-CB 4.23Å; V383-F434 HydrophobicContact CB-CD1 4.42Å; V383-F434 HydrophobicContact CB-CE1 4.3Å; V383-F434 HydrophobicContact CG2-CD1 3.62Å; V383-F434 HydrophobicContact CG2-CE1 3.88Å; V383-C629 HydrophobicContact CG1-CB 3.65Å
384	A	97.1	Very high	94.5	Very high	14 Å²	14	34.2 Å²	34.2	12%	0.116	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.5	172.7	0	0	0	0	0	111.8	L291 A377 L382 F386 S631	L291-A384 CarbonylContact O-C 3.54Å; L291-A384 WeakPolarHBondContact O-CA 3.45Å; A377-A384 HydrophobicContact CB-CB 3.91Å; L382-A384 PolarHBondContact O-N 3.04Å; A384-F386 HydrophobicContact CB-CD2 4.49Å; A384-F386 HydrophobicContact CB-CE2 3.71Å; A384-F386 HydrophobicContact CB-CZ 4.09Å; A384-S631 WeakPolarHBondContact O-CB 3.46Å; A384-S631 PolarHBondContact O-OG 3.14Å
385	I	98.1	Very high	94.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	112	174.6	-50.5	178.7	0	0	0	109.6	L285 T290 L291 I292 V293 V383 L387 Y513	L285-I385 HydrophobicContact CD1-CD1 4.48Å; L285-I385 HydrophobicContact CD2-CD1 4.43Å; T290-I385 HydrophobicContact CG2-CD1 3.74Å; T290-I385 HydrophobicContact CG2-CG1 4.1Å; L291-I385 PolarHBondContact O-N 3.3Å; I292-I385 WeakPolarHBondContact CA-O 3.35Å; I292-I385 HydrophobicContact CG1-CB 4.42Å; V293-I385 PolarHBondContact N-O 2.96Å; V383-I385 HydrophobicContact CG1-CG1 4.17Å; I385-L387 HydrophobicContact CG2-CD2 3.79Å; I385-L387 HydrophobicContact CG2-CG 4.09Å; I385-Y513 HydrophobicContact CG2-CE1 3.96Å
386	F	97.9	Very high	94.2	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.6	-175.2	-60.8	-90.7	0	0	0	111.3	V293 L370 A384 Y513 S632 Y634	V293-F386 HydrophobicContact CB-CD1 3.57Å; V293-F386 HydrophobicContact CB-CE1 3.9Å; V293-F386 HydrophobicContact CB-CG 4.35Å; V293-F386 HydrophobicContact CG1-CD1 3.68Å; V293-F386 HydrophobicContact CG1-CE1 3.96Å; V293-F386 HydrophobicContact CG2-CD1 4.07Å; V293-F386 HydrophobicContact CG2-CE1 3.88Å; V293-F386 CarbonylContact O-C 3.6Å; V293-F386 WeakPolarHBondContact O-CA 3.37Å; L370-F386 HydrophobicContact CB-CE1 4.3Å; L370-F386 HydrophobicContact CD2-CD1 3.72Å; L370-F386 HydrophobicContact CD2-CE1 3.95Å; A384-F386 HydrophobicContact CB-CD2 4.49Å; A384-F386 HydrophobicContact CB-CE2 3.71Å; A384-F386 HydrophobicContact CB-CZ 4.09Å; F386-Y513 PolarHBondContact N-OH 2.77Å; F386-Y513 VanDerWaalsContact O-CE1 3.23Å; F386-Y513 WeakPolarHBondContact O-CE1 3.46Å; F386-Y513 PolarHBondContact O-OH 3.1Å; F386-S632 WeakPolarHBondContact CD2-O 3.32Å; F386-S632 WeakPolarHBondContact CE2-O 3.39Å; F386-Y634 HydrophobicContact CB-CE2 4.14Å; F386-Y634 HydrophobicContact CD1-CD2 4.08Å; F386-Y634 HydrophobicContact CD1-CE2 4.26Å; F386-Y634 AromaticContact CD2-CD2 3.68Å; F386-Y634 HydrophobicContact CD2-CD2 3.68Å; F386-Y634 AromaticContact CD2-CE2 3.84Å; F386-Y634 HydrophobicContact CD2-CE2 3.84Å; F386-Y634 HydrophobicContact CE1-CD2 4.06Å; F386-Y634 AromaticContact CE2-CD2 3.67Å; F386-Y634 HydrophobicContact CE2-CD2 3.67Å; F386-Y634 HydrophobicContact CE2-CE2 4.32Å; F386-Y634 AromaticContact CG-CD2 3.9Å; F386-Y634 HydrophobicContact CG-CD2 3.9Å; F386-Y634 AromaticContact CG-CE2 3.82Å; F386-Y634 HydrophobicContact CG-CE2 3.82Å; F386-Y634 AromaticContact CZ-CD2 3.86Å; F386-Y634 HydrophobicContact CZ-CD2 3.86Å
387	L	97.1	Very high	94	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.9	-170.6	-57.8	176.8	0	0	0	113.2	F273 L275 I292 V293 L294 R295 L305 I385 Y513	F273-L387 HydrophobicContact CD1-CD2 3.99Å; F273-L387 HydrophobicContact CE1-CB 4.46Å; F273-L387 HydrophobicContact CE1-CD2 4.08Å; L275-L387 HydrophobicContact CD2-CD1 3.85Å; I292-L387 HydrophobicContact CG2-CD1 3.62Å; I292-L387 HydrophobicContact CG2-CG 4.27Å; V293-L387 PolarHBondContact O-N 3.03Å; L294-L387 CarbonylContact C-O 3.58Å; L294-L387 WeakPolarHBondContact CA-O 3.37Å; L294-L387 HydrophobicContact CD2-CB 3.99Å; L294-L387 HydrophobicContact CD2-CD1 4.15Å; R295-L387 VanDerWaalsContact CG-O 3.25Å; R295-L387 WeakPolarHBondContact CG-O 3.39Å; R295-L387 PolarHBondContact N-O 2.68Å; L305-L387 HydrophobicContact CD2-CB 4.38Å; L305-L387 HydrophobicContact CD2-CD1 4.48Å; I385-L387 HydrophobicContact CG2-CD2 3.79Å; I385-L387 HydrophobicContact CG2-CG 4.09Å; L387-Y513 HydrophobicContact CD2-CD1 4.2Å; L387-Y513 HydrophobicContact CD2-CE1 4.12Å
388	E	95.4	Very high	93.8	Very high	54 Å²	54	44.1 Å²	44.1	25%	0.252	22%	0.219	S	C	.	.			trans	-98.5	137.4	162.3	-71	-169.5	-174.7	0	0	110.5	R295 Q390 R395	R295-E388 HydrophobicContact CG-CG 3.77Å; R295-E388 IonicContact CZ-OE1 2.77Å; R295-E388 VanDerWaalsContact CZ-OE1 3.28Å; R295-E388 IonicContact NE-OE1 2.68Å; R295-E388 PolarHBondContact NE-OE1 2.81Å; R295-E388 IonicContact NH2-OE1 3.57Å; R295-E388 PolarHBondContact NH2-OE1 3.11Å; E388-Q390 PolarHBondContact O-N 3.05Å; E388-R395 IonicContact OE1-NH2 2.74Å; E388-R395 PolarHBondContact OE1-NH2 2.82Å; E388-R395 IonicContact OE2-CZ 2.81Å; E388-R395 IonicContact OE2-NE 2.7Å; E388-R395 IonicContact OE2-NH2 3.3Å; E388-R395 PolarHBondContact OE2-NH2 3.33Å
389	P	95	Very high	93.9	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.052	22%	0.221	C	C	.	.			trans	-61.5	133	175.6	-24.6	34.2	0	0	0	113	R295 S300 K302 T391	R295-P389 WeakPolarHBondContact O-CD 3.19Å; S300-P389 WeakPolarHBondContact O-CB 3.37Å; K302-P389 HydrophobicContact CB-CG 4.19Å; K302-P389 HydrophobicContact CG-CG 3.66Å; P389-T391 HydrophobicContact CB-CG2 4.44Å; P389-T391 PolarHBondContact O-N 3.29Å; P389-T391 VanDerWaalsContact O-N 3.12Å
390	Q	94.2	Very high	93.9	Very high	84 Å²	84	37.3 Å²	37.3	39%	0.393	19%	0.188	S	C	.	.			trans	-84.4	29.3	179.8	-63.6	-178.6	64.7	0	0	113.2	S272 F273 E388	S272-Q390 PolarHBondContact O-NE2 3.3Å; F273-Q390 HydrophobicContact CE1-CG 4.23Å; F273-Q390 VanDerWaalsContact CE1-NE2 3.34Å; F273-Q390 HydrophobicContact CE2-CG 4.3Å; F273-Q390 HydrophobicContact CZ-CB 4.46Å; F273-Q390 HydrophobicContact CZ-CG 3.74Å; F273-Q390 VanDerWaalsContact CZ-NE2 3.34Å; E388-Q390 PolarHBondContact O-N 3.05Å
391	T	94.3	Very high	94	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.031	19%	0.194	C	C	.	.			trans	-74.4	145.2	175.4	66.7	0	0	0	0	110.7	S300 P389 W393 S394	S300-T391 WeakPolarHBondContact O-CG2 3.48Å; S300-T391 PolarHBondContact O-OG1 2.88Å; P389-T391 HydrophobicContact CB-CG2 4.44Å; P389-T391 PolarHBondContact O-N 3.29Å; P389-T391 VanDerWaalsContact O-N 3.12Å; T391-W393 HydrophobicContact CG2-CH2 4.45Å; T391-W393 HydrophobicContact CG2-CZ2 4.03Å; T391-W393 PolarHBondContact O-N 2.6Å; T391-S394 WeakPolarHBondContact O-CB 3.45Å; T391-S394 PolarHBondContact O-N 2.87Å; T391-S394 PolarHBondContact O-OG 3.07Å; T391-S394 WeakPolarHBondContact OG1-CB 3.22Å; T391-S394 PolarHBondContact OG1-N 2.78Å
392	E	93.4	Very high	94.1	Very high	118 Å²	118	41.9 Å²	41.9	55%	0.551	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.3	-174.7	-50.9	94.5	103.9	0	0	112.5	A267	A267-E392 HydrophobicContact CB-CG 4.38Å; A267-E392 VanDerWaalsContact CB-OE1 3.29Å; A267-E392 WeakPolarHBondContact CB-OE1 3.44Å; A267-E392 PolarHBondContact N-OE1 2.99Å; A267-E392 PolarHBondContact N-OE2 2.89Å
393	W	93.5	Very high	94	Very high	13 Å²	13	44 Å²	44	5%	0.049	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	3.4	177.6	66.2	81.2	0	0	0	114.2	P264 P266 G299 T391 R395 D396 Q399 K403	P264-W393 HydrophobicContact CG-CZ3 4.44Å; P264-W393 WeakPolarHBondContact O-CH2 3.12Å; P264-W393 WeakPolarHBondContact O-CZ3 3.35Å; P266-W393 HydrophobicContact CB-CH2 4.21Å; P266-W393 HydrophobicContact CG-CH2 3.73Å; P266-W393 HydrophobicContact CG-CZ2 4.4Å; G299-W393 PolarHBondContact O-NE1 3.1Å; G299-W393 VanDerWaalsContact O-NE1 3.07Å; T391-W393 HydrophobicContact CG2-CH2 4.45Å; T391-W393 HydrophobicContact CG2-CZ2 4.03Å; T391-W393 PolarHBondContact O-N 2.6Å; W393-R395 PolarHBondContact O-N 3.01Å; W393-D396 HydrophobicContact CB-CB 4.41Å; W393-D396 PolarHBondContact O-N 2.92Å; W393-Q399 HydrophobicContact CB-CB 3.7Å; W393-Q399 HydrophobicContact CB-CG 4.28Å; W393-Q399 HydrophobicContact CG-CB 4.35Å; W393-K403 HydrophobicContact CD2-CD 3.78Å; W393-K403 HydrophobicContact CG-CD 3.97Å; W393-K403 HydrophobicContact CH2-CD 4.46Å; W393-K403 HydrophobicContact CZ2-CD 3.73Å; W393-K403 VanDerWaalsContact NE1-CD 3.3Å
394	S	92.3	Very high	93.7	Very high	28 Å²	28	44.5 Å²	44.5	20%	0.196	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-22.7	-173.6	51.7	0	0	0	0	115.4	T391	T391-S394 WeakPolarHBondContact O-CB 3.45Å; T391-S394 PolarHBondContact O-N 2.87Å; T391-S394 PolarHBondContact O-OG 3.07Å; T391-S394 WeakPolarHBondContact OG1-CB 3.22Å; T391-S394 PolarHBondContact OG1-N 2.78Å
395	R	91.3	Very high	93.1	Very high	114 Å²	114	48.1 Å²	48.1	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	7.3	179.8	-63.6	177.1	169.7	-119.8	-4.1	114.3	E388 W393 N421	E388-R395 IonicContact OE1-NH2 2.74Å; E388-R395 PolarHBondContact OE1-NH2 2.82Å; E388-R395 IonicContact OE2-CZ 2.81Å; E388-R395 IonicContact OE2-NE 2.7Å; E388-R395 IonicContact OE2-NH2 3.3Å; E388-R395 PolarHBondContact OE2-NH2 3.33Å; W393-R395 PolarHBondContact O-N 3.01Å; R395-N421 PolarHBondContact NH1-OD1 2.98Å
396	D	93.3	Very high	92.4	Very high	63 Å²	63	51.5 Å²	51.5	34%	0.337	27%	0.267	S	S	.	.			trans	-90.6	110.6	177.7	176.3	-23.4	0	0	0	110.8	W393 S398 Q399 L400	W393-D396 HydrophobicContact CB-CB 4.41Å; W393-D396 PolarHBondContact O-N 2.92Å; D396-S398 PolarHBondContact O-N 3.09Å; D396-S398 PolarHBondContact OD1-N 3.12Å; D396-Q399 HydrophobicContact CB-CB 4.16Å; D396-Q399 HydrophobicContact CB-CG 4.47Å; D396-Q399 PolarHBondContact O-N 3.4Å; D396-Q399 PolarHBondContact OD1-N 2.87Å; D396-Q399 VanDerWaalsContact OD1-N 3.15Å; D396-Q399 WeakPolarHBondContact OD2-CG 3.41Å; D396-Q399 PolarHBondContact OD2-NE2 3.05Å; D396-L400 VanDerWaalsContact O-CB 3.32Å; D396-L400 WeakPolarHBondContact O-CB 3.49Å; D396-L400 WeakPolarHBondContact O-CD1 3.28Å; D396-L400 WeakPolarHBondContact O-CG 3.36Å; D396-L400 PolarHBondContact O-N 3.45Å
397	L	92.4	Very high	91.7	Very high	25 Å²	25	54 Å²	54	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-58.9	-41.7	-175.5	-73.8	-169.5	0	0	0	114.9	L297 Q399 L400 K401 L413 D414 K417	L297-L397 HydrophobicContact CD1-CD2 4.35Å; L397-Q399 VanDerWaalsContact C-N 3.34Å; L397-L400 HydrophobicContact CD2-CD1 4.45Å; L397-L400 PolarHBondContact O-N 3.02Å; L397-K401 WeakPolarHBondContact O-CB 3.42Å; L397-K401 PolarHBondContact O-N 2.84Å; L397-L413 HydrophobicContact CD2-CB 3.48Å; L397-L413 VanDerWaalsContact CD2-CB 3.48Å; L397-D414 HydrophobicContact CD1-CB 3.73Å; L397-D414 WeakPolarHBondContact CD1-OD1 3.49Å; L397-K417 VanDerWaalsContact CD1-NZ 3.31Å; L397-K417 VanDerWaalsContact CG-CE 3.46Å
398	S	91.2	Very high	91.3	Very high	65 Å²	65	54.2 Å²	54.2	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-76.3	-29	-173.1	-60	0	0	0	0	110.9	D396 K402 E410	D396-S398 PolarHBondContact O-N 3.09Å; D396-S398 PolarHBondContact OD1-N 3.12Å; S398-K402 WeakPolarHBondContact O-CG 3.45Å; S398-K402 PolarHBondContact O-N 3.27Å; S398-E410 VanDerWaalsContact CA-OE1 3.32Å; S398-E410 WeakPolarHBondContact CA-OE1 3.33Å; S398-E410 WeakPolarHBondContact CB-OE1 3.3Å; S398-E410 PolarHBondContact OG-OE1 2.94Å
399	Q	93.3	Very high	91	Very high	64 Å²	64	56.5 Å²	56.5	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-75.4	-40.7	167.6	-69.6	-168.8	76.7	0	0	112.8	W393 D396 L397 K401 K402 K403	W393-Q399 HydrophobicContact CB-CB 3.7Å; W393-Q399 HydrophobicContact CB-CG 4.28Å; W393-Q399 HydrophobicContact CG-CB 4.35Å; D396-Q399 HydrophobicContact CB-CB 4.16Å; D396-Q399 HydrophobicContact CB-CG 4.47Å; D396-Q399 PolarHBondContact O-N 3.4Å; D396-Q399 PolarHBondContact OD1-N 2.87Å; D396-Q399 VanDerWaalsContact OD1-N 3.15Å; D396-Q399 WeakPolarHBondContact OD2-CG 3.41Å; D396-Q399 PolarHBondContact OD2-NE2 3.05Å; L397-Q399 VanDerWaalsContact C-N 3.34Å; Q399-K401 VanDerWaalsContact C-N 3.31Å; Q399-K401 PolarHBondContact O-N 3.27Å; Q399-K402 PolarHBondContact O-N 2.88Å; Q399-K402 VanDerWaalsContact O-N 3.15Å; Q399-K403 WeakPolarHBondContact O-CB 3.33Å; Q399-K403 WeakPolarHBondContact O-CG 3.16Å; Q399-K403 PolarHBondContact O-N 3.16Å
400	L	93.4	Very high	90.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-40.1	174.7	-69.6	166.5	0	0	0	111.5	L297 G299 S300 D396 L397 K403 T404 L413	L297-L400 HydrophobicContact CB-CD1 3.92Å; L297-L400 HydrophobicContact CB-CD2 4.45Å; L297-L400 HydrophobicContact CD1-CD1 3.66Å; L297-L400 HydrophobicContact CG-CD1 4.39Å; G299-L400 VanDerWaalsContact C-CD2 3.4Å; S300-L400 VanDerWaalsContact CA-CD2 3.46Å; S300-L400 VanDerWaalsContact N-CD2 3.25Å; D396-L400 VanDerWaalsContact O-CB 3.32Å; D396-L400 WeakPolarHBondContact O-CB 3.49Å; D396-L400 WeakPolarHBondContact O-CD1 3.28Å; D396-L400 WeakPolarHBondContact O-CG 3.36Å; D396-L400 PolarHBondContact O-N 3.45Å; L397-L400 HydrophobicContact CD2-CD1 4.45Å; L397-L400 PolarHBondContact O-N 3.02Å; L400-K403 PolarHBondContact O-N 2.79Å; L400-T404 VanDerWaalsContact O-CB 3.29Å; L400-T404 WeakPolarHBondContact O-CB 3.45Å; L400-T404 VanDerWaalsContact O-CG2 3.28Å; L400-T404 WeakPolarHBondContact O-CG2 3.39Å; L400-T404 PolarHBondContact O-N 3.32Å; L400-L413 HydrophobicContact CB-CD1 4.03Å
401	K	93.2	Very high	90.6	Very high	72 Å²	72	59.2 Å²	59.2	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-39.2	173.4	178.1	167.3	-178.3	-176.2	0	112.7	L397 Q399 E409 E410 L413	L397-K401 WeakPolarHBondContact O-CB 3.42Å; L397-K401 PolarHBondContact O-N 2.84Å; Q399-K401 VanDerWaalsContact C-N 3.31Å; Q399-K401 PolarHBondContact O-N 3.27Å; K401-E409 IonicContact NZ-OE1 2.75Å; K401-E409 PolarHBondContact NZ-OE1 3.14Å; K401-E409 IonicContact NZ-OE2 2.64Å; K401-E409 PolarHBondContact NZ-OE2 3.35Å; K401-E410 HydrophobicContact CB-CG 4.19Å; K401-E410 HydrophobicContact CD-CG 3.53Å; K401-E410 HydrophobicContact CG-CG 4.45Å; K401-L413 HydrophobicContact CB-CD1 4.06Å
402	K	92.3	Very high	90.5	Very high	135 Å²	135	63.4 Å²	63.4	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-65.4	-41.6	173	-74.6	-177.9	-179.6	-171.8	0	112.1	E261 S398 Q399	E261-K402 IonicContact OE1-NZ 2.67Å; E261-K402 PolarHBondContact OE1-NZ 2.73Å; E261-K402 IonicContact OE2-NZ 2.84Å; E261-K402 PolarHBondContact OE2-NZ 2.86Å; S398-K402 WeakPolarHBondContact O-CG 3.45Å; S398-K402 PolarHBondContact O-N 3.27Å; Q399-K402 PolarHBondContact O-N 2.88Å; Q399-K402 VanDerWaalsContact O-N 3.15Å
403	K	91.3	Very high	90.5	Very high	44 Å²	44	57.8 Å²	57.8	19%	0.191	33%	0.325	C	S	.	.	H	α-helix	trans	-92.6	-5.6	-170.3	-68.7	174.7	176.5	-80.9	0	114.9	D263 P264 W393 Q399 L400	D263-K403 IonicContact OD1-NZ 2.68Å; D263-K403 PolarHBondContact OD1-NZ 3.08Å; P264-K403 PolarHBondContact O-NZ 2.85Å; W393-K403 HydrophobicContact CD2-CD 3.78Å; W393-K403 HydrophobicContact CG-CD 3.97Å; W393-K403 HydrophobicContact CH2-CD 4.46Å; W393-K403 HydrophobicContact CZ2-CD 3.73Å; W393-K403 VanDerWaalsContact NE1-CD 3.3Å; Q399-K403 WeakPolarHBondContact O-CB 3.33Å; Q399-K403 WeakPolarHBondContact O-CG 3.16Å; Q399-K403 PolarHBondContact O-N 3.16Å; L400-K403 PolarHBondContact O-N 2.79Å
404	T	88.4	Confident	90.4	Very high	13 Å²	13	61 Å²	61	8%	0.08	34%	0.344	C	S	.	.			trans	-85.5	114.4	177	-172.8	0	0	0	0	112.1	P298 L400 R406 G407 L408	P298-T404 WeakPolarHBondContact CB-OG1 3.4Å; L400-T404 VanDerWaalsContact O-CB 3.29Å; L400-T404 WeakPolarHBondContact O-CB 3.45Å; L400-T404 VanDerWaalsContact O-CG2 3.28Å; L400-T404 WeakPolarHBondContact O-CG2 3.39Å; L400-T404 PolarHBondContact O-N 3.32Å; T404-R406 PolarHBondContact O-N 3.39Å; T404-G407 PolarHBondContact O-N 3.23Å; T404-L408 HydrophobicContact CG2-CB 4.26Å
405	G	84.1	Confident	90.5	Very high	89 Å²	89	63 Å²	63	92%	0.918	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.3	175.6	0	0	0	0	0	114.5
406	R	83.3	Confident	90.6	Very high	71 Å²	71	58 Å²	58	27%	0.268	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.9	-179.2	-69	173.4	169.6	-115.3	23.8	114.2	D323 I327 P329 T404 L408	D323-R406 VanDerWaalsContact CG-CZ 3.46Å; D323-R406 IonicContact OD1-CZ 3.61Å; D323-R406 IonicContact OD1-NE 2.7Å; D323-R406 PolarHBondContact OD1-NE 3.02Å; D323-R406 IonicContact OD1-NH2 3.05Å; D323-R406 PolarHBondContact OD1-NH2 3.22Å; D323-R406 IonicContact OD2-CZ 2.81Å; D323-R406 IonicContact OD2-NE 3.3Å; D323-R406 PolarHBondContact OD2-NE 3.12Å; D323-R406 IonicContact OD2-NH2 3.97Å; D323-R406 PolarHBondContact OD2-NH2 3.03Å; I327-R406 VanDerWaalsContact O-CZ 3.29Å; I327-R406 PolarHBondContact O-NH1 2.88Å; I327-R406 PolarHBondContact O-NH2 3.36Å; P329-R406 VanDerWaalsContact CD-NH1 3.26Å; T404-R406 PolarHBondContact O-N 3.39Å; R406-L408 VanDerWaalsContact C-N 3.33Å; R406-L408 HydrophobicContact CB-CD1 4.38Å; R406-L408 HydrophobicContact CB-CG 4.11Å; R406-L408 PolarHBondContact O-N 3.36Å
407	G	83.7	Confident	90.7	Very high	64 Å²	64	58.1 Å²	58.1	66%	0.66	34%	0.341	S	S	*	.			trans	63.9	31.8	174	0	0	0	0	0	114.9	T404	T404-G407 PolarHBondContact O-N 3.23Å
408	L	88.6	Confident	90.7	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.047	35%	0.349	C	S	.	.			trans	-75.7	141.5	-175.3	-64	172.5	0	0	0	112.4	P298 P329 E330 T404 R406 L413 M416	P298-L408 HydrophobicContact CB-CD1 3.86Å; P298-L408 HydrophobicContact CG-CD1 3.72Å; P329-L408 HydrophobicContact CG-CD1 3.91Å; E330-L408 HydrophobicContact CG-CD2 4.43Å; T404-L408 HydrophobicContact CG2-CB 4.26Å; R406-L408 VanDerWaalsContact C-N 3.33Å; R406-L408 HydrophobicContact CB-CD1 4.38Å; R406-L408 HydrophobicContact CB-CG 4.11Å; R406-L408 PolarHBondContact O-N 3.36Å; L408-L413 HydrophobicContact CB-CD2 4.28Å; L408-L413 HydrophobicContact CB-CG 4.34Å; L408-L413 HydrophobicContact CD1-CD2 4.09Å; L408-M416 HydrophobicContact CD1-CE 4.34Å
409	E	89.6	Confident	90.8	Very high	103 Å²	103	57 Å²	57	48%	0.481	34%	0.339	S	S	.	.			trans	-74.9	151.5	172.9	-80.3	-58.7	143.3	0	0	112.7	K401 A411 H412 L413	K401-E409 IonicContact NZ-OE1 2.75Å; K401-E409 PolarHBondContact NZ-OE1 3.14Å; K401-E409 IonicContact NZ-OE2 2.64Å; K401-E409 PolarHBondContact NZ-OE2 3.35Å; E409-A411 PolarHBondContact O-N 2.92Å; E409-A411 VanDerWaalsContact O-N 3.14Å; E409-H412 PolarHBondContact O-N 3.22Å; E409-L413 PolarHBondContact O-N 2.85Å
410	E	88.8	Confident	90.8	Very high	74 Å²	74	54.2 Å²	54.2	35%	0.346	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-33	-176	-61.7	-168.5	145.7	0	0	111.8	S398 K401 H412 L413 D414	S398-E410 VanDerWaalsContact CA-OE1 3.32Å; S398-E410 WeakPolarHBondContact CA-OE1 3.33Å; S398-E410 WeakPolarHBondContact CB-OE1 3.3Å; S398-E410 PolarHBondContact OG-OE1 2.94Å; K401-E410 HydrophobicContact CB-CG 4.19Å; K401-E410 HydrophobicContact CD-CG 3.53Å; K401-E410 HydrophobicContact CG-CG 4.45Å; E410-H412 VanDerWaalsContact C-N 3.33Å; E410-H412 PolarHBondContact O-N 3.42Å; E410-L413 PolarHBondContact O-N 3.05Å; E410-D414 WeakPolarHBondContact O-CB 3.33Å; E410-D414 PolarHBondContact O-N 2.64Å
411	A	91	Very high	90.7	Very high	74 Å²	74	57.6 Å²	57.6	61%	0.612	34%	0.344	S	S	*	.	H	α-helix	trans	-62.7	-33.7	176.3	0	0	0	0	0	113.7	E409 A415	E409-A411 PolarHBondContact O-N 2.92Å; E409-A411 VanDerWaalsContact O-N 3.14Å; A411-A415 WeakPolarHBondContact O-CB 3.5Å; A411-A415 PolarHBondContact O-N 2.66Å; A411-A415 VanDerWaalsContact O-N 3.13Å
412	H	91.6	Very high	90.6	Very high	93 Å²	93	60.6 Å²	60.6	43%	0.431	36%	0.359	S	S	.	.	H	α-helix	trans	-73.9	-39.5	174.7	-60.7	158.9	0	0	0	111	E409 E410 M416	E409-H412 PolarHBondContact O-N 3.22Å; E410-H412 VanDerWaalsContact C-N 3.33Å; E410-H412 PolarHBondContact O-N 3.42Å; H412-M416 VanDerWaalsContact O-CE 3.28Å; H412-M416 WeakPolarHBondContact O-CE 3.45Å; H412-M416 PolarHBondContact O-N 3.05Å
413	L	93.1	Very high	90.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-36.3	176.4	-61.4	174.2	0	0	0	112	P298 L397 L400 K401 L408 E409 E410 M416	P298-L413 HydrophobicContact CB-CD2 4.12Å; P298-L413 HydrophobicContact CG-CD2 4.13Å; L397-L413 HydrophobicContact CD2-CB 3.48Å; L397-L413 VanDerWaalsContact CD2-CB 3.48Å; L400-L413 HydrophobicContact CB-CD1 4.03Å; K401-L413 HydrophobicContact CB-CD1 4.06Å; L408-L413 HydrophobicContact CB-CD2 4.28Å; L408-L413 HydrophobicContact CB-CG 4.34Å; L408-L413 HydrophobicContact CD1-CD2 4.09Å; E409-L413 PolarHBondContact O-N 2.85Å; E410-L413 PolarHBondContact O-N 3.05Å; L413-M416 HydrophobicContact CD2-CE 4.05Å
414	D	93.3	Very high	90.6	Very high	82 Å²	82	55 Å²	55	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-68.5	-44.3	175.9	-160	58.5	0	0	0	111.8	L397 E410 M416 K417	L397-D414 HydrophobicContact CD1-CB 3.73Å; L397-D414 WeakPolarHBondContact CD1-OD1 3.49Å; E410-D414 WeakPolarHBondContact O-CB 3.33Å; E410-D414 PolarHBondContact O-N 2.64Å; D414-M416 VanDerWaalsContact C-N 3.25Å; D414-M416 PolarHBondContact O-N 3.06Å; D414-K417 VanDerWaalsContact O-CB 3.26Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 2.95Å; D414-K417 WeakPolarHBondContact OD1-CD 3.36Å; D414-K417 VanDerWaalsContact OD1-CE 3.27Å; D414-K417 WeakPolarHBondContact OD1-CE 3.45Å; D414-K417 IonicContact OD1-NZ 2.82Å; D414-K417 PolarHBondContact OD1-NZ 2.94Å
415	A	93.4	Very high	91	Very high	70 Å²	70	55.3 Å²	55.3	58%	0.579	34%	0.344	S	S	*	.	H	α-helix	trans	-56.9	-37.9	176.4	0	0	0	0	0	112.7	A411 K417	A411-A415 WeakPolarHBondContact O-CB 3.5Å; A411-A415 PolarHBondContact O-N 2.66Å; A411-A415 VanDerWaalsContact O-N 3.13Å; A415-K417 VanDerWaalsContact C-N 3.3Å; A415-K417 PolarHBondContact O-N 2.87Å
416	M	94.1	Very high	91.6	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.039	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.5	176.8	-71.3	-175.2	-82.7	0	0	114.3	L297 P298 P329 T363 L408 H412 L413 D414 G418 L420	L297-M416 HydrophobicContact CD2-CB 3.53Å; P298-M416 HydrophobicContact CG-CE 4.07Å; P329-M416 HydrophobicContact CB-CE 4.35Å; P329-M416 HydrophobicContact CB-SD 3.8Å; T363-M416 HydrophobicContact CG2-SD 4.21Å; L408-M416 HydrophobicContact CD1-CE 4.34Å; H412-M416 VanDerWaalsContact O-CE 3.28Å; H412-M416 WeakPolarHBondContact O-CE 3.45Å; H412-M416 PolarHBondContact O-N 3.05Å; L413-M416 HydrophobicContact CD2-CE 4.05Å; D414-M416 VanDerWaalsContact C-N 3.25Å; D414-M416 PolarHBondContact O-N 3.06Å; M416-G418 VanDerWaalsContact C-N 3.34Å; M416-G418 PolarHBondContact O-N 3.09Å; M416-L420 WeakPolarHBondContact O-CB 3.46Å; M416-L420 PolarHBondContact O-N 2.82Å
417	K	93.7	Very high	92.3	Very high	66 Å²	66	49.4 Å²	49.4	29%	0.287	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-36.2	177.3	-70.7	178.8	-176.7	161.8	0	113	L297 L397 D414 A415 L420 N421	L297-K417 HydrophobicContact CD1-CG 4.06Å; L397-K417 VanDerWaalsContact CD1-NZ 3.31Å; L397-K417 VanDerWaalsContact CG-CE 3.46Å; D414-K417 VanDerWaalsContact O-CB 3.26Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 2.95Å; D414-K417 WeakPolarHBondContact OD1-CD 3.36Å; D414-K417 VanDerWaalsContact OD1-CE 3.27Å; D414-K417 WeakPolarHBondContact OD1-CE 3.45Å; D414-K417 IonicContact OD1-NZ 2.82Å; D414-K417 PolarHBondContact OD1-NZ 2.94Å; A415-K417 VanDerWaalsContact C-N 3.3Å; A415-K417 PolarHBondContact O-N 2.87Å; K417-L420 PolarHBondContact O-N 2.83Å; K417-N421 WeakPolarHBondContact O-CB 3.46Å; K417-N421 PolarHBondContact O-N 3.15Å; K417-N421 PolarHBondContact O-ND2 3.29Å
418	G	93.1	Very high	93	Very high	29 Å²	29	47.5 Å²	47.5	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-57.9	-65	-177	0	0	0	0	0	110.8	M416 L420 N421 E422	M416-G418 VanDerWaalsContact C-N 3.34Å; M416-G418 PolarHBondContact O-N 3.09Å; G418-L420 VanDerWaalsContact C-N 3.29Å; G418-L420 PolarHBondContact O-N 2.9Å; G418-N421 PolarHBondContact O-N 3.35Å; G418-E422 WeakPolarHBondContact O-CG 3.34Å; G418-E422 PolarHBondContact O-N 2.95Å
419	P	93.1	Very high	93.4	Very high	38 Å²	38	47.8 Å²	47.8	25%	0.247	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-37.5	177.3	-26.6	35.6	0	0	0	113.9	H365 T366 N421 E422 T423	H365-P419 CarbonylContact O-C 3.01Å; H365-P419 WeakPolarHBondContact O-CB 3.49Å; H365-P419 VanDerWaalsContact O-O 3.11Å; T366-P419 HydrophobicContact CG2-CB 4.38Å; P419-N421 VanDerWaalsContact C-N 3.3Å; P419-N421 PolarHBondContact O-N 2.8Å; P419-E422 PolarHBondContact O-N 3.36Å; P419-T423 WeakPolarHBondContact O-CB 3.17Å; P419-T423 WeakPolarHBondContact O-CG2 3.33Å; P419-T423 PolarHBondContact O-N 2.87Å; P419-T423 PolarHBondContact O-OG1 2.87Å
420	L	93.5	Very high	93.8	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-34	177.7	-175.1	65.2	0	0	0	112.8	R295 L297 H365 M416 K417 G418 T423	R295-L420 PolarHBondContact NH2-O 3.21Å; R295-L420 VanDerWaalsContact NH2-O 3.07Å; L297-L420 HydrophobicContact CD2-CD2 3.92Å; L297-L420 HydrophobicContact CG-CD2 3.8Å; H365-L420 HydrophobicContact CB-CB 4.15Å; H365-L420 HydrophobicContact CB-CD1 4.12Å; H365-L420 PolarHBondContact O-N 3.37Å; M416-L420 WeakPolarHBondContact O-CB 3.46Å; M416-L420 PolarHBondContact O-N 2.82Å; K417-L420 PolarHBondContact O-N 2.83Å; G418-L420 VanDerWaalsContact C-N 3.29Å; G418-L420 PolarHBondContact O-N 2.9Å; L420-T423 WeakPolarHBondContact CA-OG1 3.4Å; L420-T423 PolarHBondContact O-OG1 2.77Å; L420-T423 VanDerWaalsContact O-OG1 3.09Å
421	N	92.4	Very high	94.3	Very high	71 Å²	71	39.4 Å²	39.4	38%	0.38	23%	0.231	S	C	.	.	H	α-helix	trans	-81.7	-36.2	175.1	-71.1	-55.4	0	0	0	112.2	R395 K417 G418 P419 T423 S424	R395-N421 PolarHBondContact NH1-OD1 2.98Å; K417-N421 WeakPolarHBondContact O-CB 3.46Å; K417-N421 PolarHBondContact O-N 3.15Å; K417-N421 PolarHBondContact O-ND2 3.29Å; G418-N421 PolarHBondContact O-N 3.35Å; P419-N421 VanDerWaalsContact C-N 3.3Å; P419-N421 PolarHBondContact O-N 2.8Å; N421-T423 PolarHBondContact O-N 3.35Å; N421-S424 WeakPolarHBondContact O-CB 3.34Å; N421-S424 PolarHBondContact O-N 3.11Å; N421-S424 PolarHBondContact O-OG 2.9Å
422	E	91.3	Very high	94.7	Very high	134 Å²	134	36.4 Å²	36.4	63%	0.626	20%	0.204	S	C	*	.	H	α-helix	trans	-62.6	-23.2	172.8	-70	163	-148.5	0	0	112.9	G418 P419	G418-E422 WeakPolarHBondContact O-CG 3.34Å; G418-E422 PolarHBondContact O-N 2.95Å; P419-E422 PolarHBondContact O-N 3.36Å
423	T	91.8	Very high	94.9	Very high	2 Å²	2	32 Å²	32	1%	0.012	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	9.1	173.8	54.9	0	0	0	0	113.4	R295 H367 L370 P419 L420 N421 L425 Y634	R295-T423 PolarHBondContact NH1-O 2.82Å; R295-T423 PolarHBondContact NH2-O 3.39Å; R295-T423 PolarHBondContact NH2-OG1 2.95Å; H367-T423 HydrophobicContact CB-CG2 4.04Å; H367-T423 VanDerWaalsContact N-CG2 3.34Å; L370-T423 HydrophobicContact CD1-CG2 3.84Å; P419-T423 WeakPolarHBondContact O-CB 3.17Å; P419-T423 WeakPolarHBondContact O-CG2 3.33Å; P419-T423 PolarHBondContact O-N 2.87Å; P419-T423 PolarHBondContact O-OG1 2.87Å; L420-T423 WeakPolarHBondContact CA-OG1 3.4Å; L420-T423 PolarHBondContact O-OG1 2.77Å; L420-T423 VanDerWaalsContact O-OG1 3.09Å; N421-T423 PolarHBondContact O-N 3.35Å; T423-L425 PolarHBondContact O-N 3.27Å; T423-Y634 WeakPolarHBondContact O-CE1 3.39Å; T423-Y634 PolarHBondContact O-OH 3.41Å
424	S	91.7	Very high	95	Very high	60 Å²	60	32.5 Å²	32.5	42%	0.42	19%	0.186	S	C	.	.	S	Bend	trans	-71.2	-9.8	-174.1	63	0	0	0	0	115	N421	N421-S424 WeakPolarHBondContact O-CB 3.34Å; N421-S424 PolarHBondContact O-N 3.11Å; N421-S424 PolarHBondContact O-OG 2.9Å
425	L	96.3	Very high	94.9	Very high	19 Å²	19	29.2 Å²	29.2	10%	0.099	17%	0.17	C	C	.	.	S	Bend	trans	-127.5	141.4	176.2	-65.3	174.5	0	0	0	110.5	T423 G495 A504 Y634	T423-L425 PolarHBondContact O-N 3.27Å; L425-G495 VanDerWaalsContact CD1-CA 3.45Å; L425-A504 HydrophobicContact CD2-CB 3.26Å; L425-Y634 WeakPolarHBondContact O-CE1 3.46Å
426	P	97.3	Very high	94.7	Very high	1 Å²	1	30 Å²	30	1%	0.006	17%	0.17	C	C	.	.			trans	-79.8	-178.1	-178	35.8	-38.9	0	0	0	112.8	F429 C492 Y494 F633 Y634	P426-F429 HydrophobicContact CG-CD1 4.5Å; P426-F429 HydrophobicContact CG-CD2 3.68Å; P426-F429 HydrophobicContact CG-CE1 4.28Å; P426-F429 HydrophobicContact CG-CE2 3.42Å; P426-F429 VanDerWaalsContact CG-CE2 3.42Å; P426-F429 HydrophobicContact CG-CG 4.22Å; P426-F429 HydrophobicContact CG-CZ 3.75Å; P426-C492 VanDerWaalsContact O-CB 3.26Å; P426-C492 WeakPolarHBondContact O-CB 3.38Å; P426-Y494 VanDerWaalsContact O-CA 3.32Å; P426-Y494 WeakPolarHBondContact O-CA 3.42Å; P426-Y494 PolarHBondContact O-N 2.9Å; P426-F633 VanDerWaalsContact CB-O 3.3Å; P426-F633 WeakPolarHBondContact CB-O 3.27Å; P426-Y634 HydrophobicContact CB-CD2 4.32Å; P426-Y634 HydrophobicContact CB-CE1 4.28Å; P426-Y634 HydrophobicContact CB-CE2 3.92Å
427	L	97.1	Very high	94.6	Very high	35 Å²	35	30.5 Å²	30.5	18%	0.183	17%	0.174	C	C	.	.	S	Bend	trans	-67.4	-45.9	163.8	-173.9	58	0	0	0	110.3	F491 C492 D493 Y494 F633	L427-F491 HydrophobicContact CD1-CE2 3.66Å; L427-F491 HydrophobicContact CD1-CZ 4.02Å; L427-F491 HydrophobicContact CG-CE2 4Å; L427-C492 WeakPolarHBondContact O-CA 3.33Å; L427-C492 PolarHBondContact O-N 2.84Å; L427-D493 PolarHBondContact O-N 2.77Å; L427-D493 VanDerWaalsContact O-N 3.13Å; L427-Y494 HydrophobicContact CB-CE1 3.79Å; L427-Y494 HydrophobicContact CD1-CD2 4.49Å; L427-Y494 HydrophobicContact CD1-CE2 3.77Å; L427-F633 HydrophobicContact CB-CD1 4.33Å; L427-F633 WeakPolarHBondContact CB-O 3.36Å; L427-F633 HydrophobicContact CD2-CD1 4.04Å; L427-F633 HydrophobicContact CD2-CE1 4.17Å; L427-F633 PolarHBondContact N-O 2.81Å
428	Y	97.6	Very high	94.6	Very high	25 Å²	25	28.1 Å²	28.1	10%	0.098	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.6	173.5	59.1	-94.4	0	0	0	112.3	F432 H486 T488 K490 S632 F633	Y428-F432 HydrophobicContact CD2-CZ 4.18Å; Y428-F432 AromaticContact CE2-CE1 3.77Å; Y428-F432 HydrophobicContact CE2-CE1 3.77Å; Y428-F432 AromaticContact CE2-CZ 3.5Å; Y428-F432 HydrophobicContact CE2-CZ 3.5Å; Y428-F432 VanDerWaalsContact CE2-CZ 3.5Å; Y428-H486 AromaticContact CE2-CD2 3.58Å; Y428-H486 AromaticContact CE2-NE2 3.57Å; Y428-H486 AromaticContact CZ-CE1 3.91Å; Y428-H486 AromaticContact CZ-NE2 3.65Å; Y428-H486 PolarHBondContact OH-CE1 2.89Å; Y428-T488 WeakPolarHBondContact CD2-OG1 3.34Å; Y428-K490 WeakPolarHBondContact CA-O 3.38Å; Y428-S632 WeakPolarHBondContact O-CA 3.4Å; Y428-S632 VanDerWaalsContact O-CB 3.29Å; Y428-S632 WeakPolarHBondContact O-CB 3.07Å; Y428-F633 HydrophobicContact CD1-CB 4.23Å; Y428-F633 HydrophobicContact CD1-CD1 4.26Å; Y428-F633 HydrophobicContact CD2-CB 4.2Å; Y428-F633 HydrophobicContact CE1-CB 3.71Å; Y428-F633 AromaticContact CE1-CD1 3.45Å; Y428-F633 HydrophobicContact CE1-CD1 3.45Å; Y428-F633 VanDerWaalsContact CE1-CD1 3.45Å; Y428-F633 HydrophobicContact CE1-CE1 4.27Å; Y428-F633 AromaticContact CE1-CG 3.81Å; Y428-F633 HydrophobicContact CE1-CG 3.81Å; Y428-F633 HydrophobicContact CE2-CB 3.68Å; Y428-F633 HydrophobicContact CE2-CG 4.42Å; Y428-F633 HydrophobicContact CG-CB 4.44Å; Y428-F633 AromaticContact CZ-CD1 3.8Å; Y428-F633 AromaticContact CZ-CG 3.65Å; Y428-F633 PolarHBondContact O-N 2.98Å; Y428-F633 WeakPolarHBondContact OH-CG 3.26Å
429	F	98.6	Very high	94.5	Very high	15 Å²	15	31.5 Å²	31.5	7%	0.066	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	152.5	163.5	-69.1	-92.4	0	0	0	110.1	P426 T489 K490 Y503 A504 V509 Y513 F630 S631	P426-F429 HydrophobicContact CG-CD1 4.5Å; P426-F429 HydrophobicContact CG-CD2 3.68Å; P426-F429 HydrophobicContact CG-CE1 4.28Å; P426-F429 HydrophobicContact CG-CE2 3.42Å; P426-F429 VanDerWaalsContact CG-CE2 3.42Å; P426-F429 HydrophobicContact CG-CG 4.22Å; P426-F429 HydrophobicContact CG-CZ 3.75Å; F429-T489 WeakPolarHBondContact CB-OG1 3.43Å; F429-T489 PolarHBondContact O-N 2.92Å; F429-T489 PolarHBondContact O-OG1 3.02Å; F429-K490 PolarHBondContact N-O 2.92Å; F429-Y503 HydrophobicContact CB-CE1 3.81Å; F429-Y503 HydrophobicContact CD1-CE1 4.49Å; F429-Y503 AromaticContact CD2-CD1 3.79Å; F429-Y503 HydrophobicContact CD2-CD1 3.79Å; F429-Y503 AromaticContact CD2-CE1 3.73Å; F429-Y503 HydrophobicContact CD2-CE1 3.73Å; F429-Y503 HydrophobicContact CE2-CD1 4.15Å; F429-Y503 HydrophobicContact CE2-CE1 4.41Å; F429-Y503 HydrophobicContact CG-CD1 4.31Å; F429-Y503 AromaticContact CG-CE1 3.77Å; F429-Y503 HydrophobicContact CG-CE1 3.77Å; F429-A504 HydrophobicContact CE2-CB 3.94Å; F429-A504 HydrophobicContact CZ-CB 3.88Å; F429-V509 HydrophobicContact CE1-CG1 4.49Å; F429-Y513 HydrophobicContact CD1-CD2 4.16Å; F429-Y513 AromaticContact CD1-CE2 3.99Å; F429-Y513 HydrophobicContact CD1-CE2 3.99Å; F429-Y513 AromaticContact CE1-CD2 3.96Å; F429-Y513 HydrophobicContact CE1-CD2 3.96Å; F429-Y513 AromaticContact CE1-CE2 3.79Å; F429-Y513 HydrophobicContact CE1-CE2 3.79Å; F429-F630 HydrophobicContact CB-CE2 4.41Å; F429-F630 HydrophobicContact CB-CZ 4.32Å; F429-F630 HydrophobicContact CD1-CZ 4.47Å; F429-S631 WeakPolarHBondContact CA-O 3.32Å
430	G	98.3	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	175.3	178.1	0	0	0	0	0	113.9	F432 C487 F630 S631	G430-F432 WeakPolarHBondContact O-CD2 3.08Å; G430-F432 WeakPolarHBondContact O-CE2 3.38Å; G430-C487 CarbonylContact C-O 3.56Å; G430-C487 WeakPolarHBondContact CA-O 3.39Å; G430-F630 WeakPolarHBondContact O-CA 3.41Å; G430-S631 PolarHBondContact N-O 2.98Å; G430-S631 VanDerWaalsContact N-O 3.09Å; G430-S631 PolarHBondContact O-N 3.31Å
431	W	98.7	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.4	169.7	-65	-80	0	0	0	109.7	H486 C487 T489 F517 L519 L537 Q541 L544 W545 A628 C629 F630	W431-H486 CarbonylContact O-C 3.41Å; W431-H486 WeakPolarHBondContact O-CA 3.38Å; W431-H486 WeakPolarHBondContact O-CB 3.42Å; W431-C487 HydrophobicContact CB-CB 4.45Å; W431-C487 HydrophobicContact CE3-CB 4.14Å; W431-C487 PolarHBondContact N-O 2.87Å; W431-C487 PolarHBondContact O-N 2.86Å; W431-T489 HydrophobicContact CD2-CG2 4.31Å; W431-T489 HydrophobicContact CE3-CG2 3.64Å; W431-T489 HydrophobicContact CH2-CG2 3.62Å; W431-T489 HydrophobicContact CZ2-CG2 4.28Å; W431-T489 HydrophobicContact CZ3-CG2 3.26Å; W431-F517 AromaticContact CD1-CD2 3.62Å; W431-F517 AromaticContact NE1-CD2 3.27Å; W431-F517 VanDerWaalsContact NE1-CD2 3.27Å; W431-F517 AromaticContact NE1-CE2 3.78Å; W431-F517 AromaticContact NE1-CG 3.56Å; W431-L519 HydrophobicContact CB-CD1 3.9Å; W431-L519 HydrophobicContact CB-CD2 4.31Å; W431-L519 HydrophobicContact CB-CG 4.46Å; W431-L519 HydrophobicContact CD2-CD2 3.97Å; W431-L519 HydrophobicContact CE3-CD2 4.18Å; W431-L519 HydrophobicContact CG-CD2 4.04Å; W431-L537 HydrophobicContact CE3-CD2 4.45Å; W431-L537 HydrophobicContact CH2-CD1 4.23Å; W431-L537 HydrophobicContact CH2-CD2 3.85Å; W431-L537 HydrophobicContact CZ3-CD1 4.26Å; W431-L537 HydrophobicContact CZ3-CD2 3.67Å; W431-Q541 HydrophobicContact CH2-CB 3.93Å; W431-Q541 HydrophobicContact CH2-CG 4.48Å; W431-Q541 HydrophobicContact CZ2-CB 3.75Å; W431-Q541 HydrophobicContact CZ2-CG 3.91Å; W431-L544 HydrophobicContact CH2-CB 4.32Å; W431-L544 HydrophobicContact CZ2-CB 3.97Å; W431-L544 HydrophobicContact CZ2-CD1 3.92Å; W431-W545 HydrophobicContact CZ3-CE3 4.46Å; W431-A628 HydrophobicContact CB-CB 3.92Å; W431-C629 CarbonylContact C-O 3.51Å; W431-C629 WeakPolarHBondContact CA-O 3.18Å; W431-F630 AromaticContact CD1-CD2 3.93Å; W431-F630 HydrophobicContact CD2-CD2 4.26Å; W431-F630 AromaticContact CE2-CD2 3.99Å; W431-F630 HydrophobicContact CG-CD2 4.22Å; W431-F630 AromaticContact NE1-CD2 3.75Å
432	F	98.2	Very high	94.8	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.053	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.2	-178.2	-60.6	-98.5	0	0	0	109.6	V383 Y428 G430 I484 H486 A628 C629 F633	V383-F432 HydrophobicContact CG1-CB 4.43Å; V383-F432 HydrophobicContact CG2-CB 4.23Å; Y428-F432 HydrophobicContact CD2-CZ 4.18Å; Y428-F432 AromaticContact CE2-CE1 3.77Å; Y428-F432 HydrophobicContact CE2-CE1 3.77Å; Y428-F432 AromaticContact CE2-CZ 3.5Å; Y428-F432 HydrophobicContact CE2-CZ 3.5Å; Y428-F432 VanDerWaalsContact CE2-CZ 3.5Å; G430-F432 WeakPolarHBondContact O-CD2 3.08Å; G430-F432 WeakPolarHBondContact O-CE2 3.38Å; F432-I484 HydrophobicContact CB-CG2 4.38Å; F432-I484 HydrophobicContact CD1-CG2 4.04Å; F432-H486 HydrophobicContact CB-CB 4.5Å; F432-H486 HydrophobicContact CD1-CB 3.65Å; F432-H486 HydrophobicContact CE1-CB 3.99Å; F432-H486 HydrophobicContact CG-CB 4.11Å; F432-A628 CarbonylContact O-C 3.59Å; F432-A628 WeakPolarHBondContact O-CA 3.01Å; F432-A628 WeakPolarHBondContact O-CB 3.21Å; F432-C629 PolarHBondContact N-O 3.39Å; F432-C629 PolarHBondContact O-N 3.34Å; F432-F633 HydrophobicContact CE1-CB 4.12Å; F432-F633 HydrophobicContact CZ-CB 3.87Å
433	L	97.4	Very high	94.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	142.2	-175.6	-84.1	61.8	0	0	0	110.6	V437 Q438 V441 L485 L519 I571 A626 A628	L433-V437 HydrophobicContact CB-CB 4.48Å; L433-V437 HydrophobicContact CB-CG1 4.5Å; L433-V437 HydrophobicContact CD2-CG1 3.97Å; L433-V437 HydrophobicContact CG-CG1 4.16Å; L433-Q438 HydrophobicContact CB-CG 3.58Å; L433-Q438 PolarHBondContact O-NE2 3.16Å; L433-V441 HydrophobicContact CD2-CG2 4.2Å; L433-L485 WeakPolarHBondContact CB-O 3.43Å; L433-L485 HydrophobicContact CD2-CB 4.32Å; L433-L485 PolarHBondContact N-O 3.35Å; L433-L519 HydrophobicContact CD1-CD1 4.14Å; L433-I571 HydrophobicContact CD1-CD1 3.78Å; L433-I571 HydrophobicContact CD1-CG1 4.35Å; L433-I571 HydrophobicContact CD2-CD1 3.99Å; L433-A626 HydrophobicContact CD2-CB 4.31Å; L433-A626 HydrophobicContact CG-CB 4.47Å; L433-A628 HydrophobicContact CD1-CB 3.99Å; L433-A628 HydrophobicContact CG-CB 4.35Å
434	F	94.5	Very high	95.1	Very high	10 Å²	10	31.2 Å²	31.2	4%	0.044	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-69.6	148.7	171.5	-65.6	-56.4	0	0	0	111.3	A284 L285 V383 S436 V437 Q438 V516 A627 C629	A284-F434 HydrophobicContact CB-CE2 4.06Å; A284-F434 HydrophobicContact CB-CZ 4.48Å; L285-F434 HydrophobicContact CD2-CE1 3.85Å; L285-F434 HydrophobicContact CD2-CZ 3.89Å; V383-F434 HydrophobicContact CB-CD1 4.42Å; V383-F434 HydrophobicContact CB-CE1 4.3Å; V383-F434 HydrophobicContact CG2-CD1 3.62Å; V383-F434 HydrophobicContact CG2-CE1 3.88Å; F434-S436 VanDerWaalsContact C-N 3.34Å; F434-S436 PolarHBondContact O-N 2.85Å; F434-V437 HydrophobicContact CB-CG2 4.38Å; F434-V437 CarbonylContact O-C 3.57Å; F434-V437 WeakPolarHBondContact O-CA 3.4Å; F434-V437 VanDerWaalsContact O-CB 3.27Å; F434-V437 WeakPolarHBondContact O-CB 3.4Å; F434-V437 PolarHBondContact O-N 2.96Å; F434-Q438 PolarHBondContact O-N 3.21Å; F434-V516 HydrophobicContact CE2-CG1 3.91Å; F434-V516 HydrophobicContact CE2-CG2 3.73Å; F434-V516 HydrophobicContact CZ-CG2 3.53Å; F434-A627 HydrophobicContact CD2-CB 4.01Å; F434-A627 HydrophobicContact CE2-CB 4.47Å; F434-A627 PolarHBondContact N-O 2.67Å; F434-C629 HydrophobicContact CE1-CB 4.23Å; F434-C629 HydrophobicContact CZ-CB 4.06Å
435	S	90.5	Very high	95.3	Very high	14 Å²	14	28.6 Å²	28.6	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-51	-47.6	-168	-23.5	0	0	0	0	113.2	N381 V437 Q438 D439	N381-S435 PolarHBondContact O-OG 3.38Å; S435-V437 PolarHBondContact O-N 3.35Å; S435-Q438 WeakPolarHBondContact O-CA 3.24Å; S435-Q438 WeakPolarHBondContact O-CB 3.29Å; S435-Q438 PolarHBondContact O-N 3.28Å; S435-D439 VanDerWaalsContact O-CG 3.24Å; S435-D439 PolarHBondContact O-N 3.47Å
436	S	88.9	Confident	95.2	Very high	85 Å²	85	30.4 Å²	30.4	59%	0.594	17%	0.174	S	C	*	.	H	α-helix	trans	-63.8	-23.2	177.3	53.8	0	0	0	0	114.8	F434 K440	F434-S436 VanDerWaalsContact C-N 3.34Å; F434-S436 PolarHBondContact O-N 2.85Å; S436-K440 PolarHBondContact O-N 3.46Å
437	V	92.9	Very high	95.1	Very high	20 Å²	20	34.2 Å²	34.2	12%	0.121	19%	0.194	C	C	.	.	H	α-helix	trans	-83	-38.1	172.2	-173.5	0	0	0	0	110.2	L433 F434 S435 K440 V441 A626 A627	L433-V437 HydrophobicContact CB-CB 4.48Å; L433-V437 HydrophobicContact CB-CG1 4.5Å; L433-V437 HydrophobicContact CD2-CG1 3.97Å; L433-V437 HydrophobicContact CG-CG1 4.16Å; F434-V437 HydrophobicContact CB-CG2 4.38Å; F434-V437 CarbonylContact O-C 3.57Å; F434-V437 WeakPolarHBondContact O-CA 3.4Å; F434-V437 VanDerWaalsContact O-CB 3.27Å; F434-V437 WeakPolarHBondContact O-CB 3.4Å; F434-V437 PolarHBondContact O-N 2.96Å; S435-V437 PolarHBondContact O-N 3.35Å; V437-K440 PolarHBondContact O-N 3.4Å; V437-V441 HydrophobicContact CG1-CG2 4.39Å; V437-V441 WeakPolarHBondContact O-CB 3.45Å; V437-V441 VanDerWaalsContact O-CG2 3.32Å; V437-V441 WeakPolarHBondContact O-CG2 3.29Å; V437-V441 PolarHBondContact O-N 3.04Å; V437-A626 HydrophobicContact CG1-CB 3.52Å; V437-A627 HydrophobicContact CG2-CB 4.25Å
438	Q	93.5	Very high	95	Very high	16 Å²	16	32.6 Å²	32.6	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-47.7	173.3	-58.4	-171.2	56.2	0	0	110.9	L433 F434 S435 K440 V441 G442 L485	L433-Q438 HydrophobicContact CB-CG 3.58Å; L433-Q438 PolarHBondContact O-NE2 3.16Å; F434-Q438 PolarHBondContact O-N 3.21Å; S435-Q438 WeakPolarHBondContact O-CA 3.24Å; S435-Q438 WeakPolarHBondContact O-CB 3.29Å; S435-Q438 PolarHBondContact O-N 3.28Å; Q438-K440 PolarHBondContact O-N 2.84Å; Q438-V441 PolarHBondContact O-N 3.05Å; Q438-G442 PolarHBondContact O-N 3Å; Q438-L485 HydrophobicContact CB-CD1 4.24Å; Q438-L485 HydrophobicContact CB-CG 4.44Å; Q438-L485 HydrophobicContact CG-CB 4.08Å; Q438-L485 HydrophobicContact CG-CG 4.47Å
439	D	91.8	Very high	94.9	Very high	99 Å²	99	31.8 Å²	31.8	53%	0.529	18%	0.183	S	C	.	.	H	α-helix	trans	-54.8	-50.1	176.3	-61.2	-35.5	0	0	0	111.1	S435 V441 G442 C443	S435-D439 VanDerWaalsContact O-CG 3.24Å; S435-D439 PolarHBondContact O-N 3.47Å; D439-V441 PolarHBondContact O-N 2.7Å; D439-G442 PolarHBondContact O-N 3.35Å; D439-C443 WeakPolarHBondContact O-CB 3.37Å; D439-C443 PolarHBondContact O-N 3Å; D439-C443 PolarHBondContact O-SG 3.15Å; D439-C443 VanDerWaalsContact O-SG 3.37Å
440	K	94.2	Very high	94.6	Very high	112 Å²	112	34.8 Å²	34.8	49%	0.487	20%	0.196	S	C	.	.	H	α-helix	trans	-60.2	-47.6	178.7	-178.3	-174.5	175.4	-172.9	0	112.1	S436 V437 Q438 T444 I624	S436-K440 PolarHBondContact O-N 3.46Å; V437-K440 PolarHBondContact O-N 3.4Å; Q438-K440 PolarHBondContact O-N 2.84Å; K440-T444 WeakPolarHBondContact O-CB 3.29Å; K440-T444 PolarHBondContact O-N 2.76Å; K440-T444 PolarHBondContact O-OG1 3.29Å; K440-I624 HydrophobicContact CD-CG2 4.49Å
441	V	96	Very high	94.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-41.7	-178.8	171.3	0	0	0	0	110.7	L433 V437 Q438 D439 T444 A445 L485 L521 L573 I624	L433-V441 HydrophobicContact CD2-CG2 4.2Å; V437-V441 HydrophobicContact CG1-CG2 4.39Å; V437-V441 WeakPolarHBondContact O-CB 3.45Å; V437-V441 VanDerWaalsContact O-CG2 3.32Å; V437-V441 WeakPolarHBondContact O-CG2 3.29Å; V437-V441 PolarHBondContact O-N 3.04Å; Q438-V441 PolarHBondContact O-N 3.05Å; D439-V441 PolarHBondContact O-N 2.7Å; V441-T444 PolarHBondContact O-N 2.96Å; V441-A445 WeakPolarHBondContact O-CB 3.47Å; V441-A445 PolarHBondContact O-N 3.08Å; V441-L485 HydrophobicContact CB-CD1 4.31Å; V441-L485 HydrophobicContact CG1-CD1 4.07Å; V441-L521 HydrophobicContact CG1-CD2 4.03Å; V441-L521 HydrophobicContact CG2-CD2 3.78Å; V441-L573 HydrophobicContact CG1-CD2 3.63Å; V441-I624 HydrophobicContact CG2-CG2 4.26Å
442	G	94.3	Very high	94.1	Very high	26 Å²	26	37.6 Å²	37.6	27%	0.268	21%	0.213	S	C	.	.	H	α-helix	trans	-61.4	-50.2	175.6	0	0	0	0	0	112.7	Q438 D439 T444 A445 M446	Q438-G442 PolarHBondContact O-N 3Å; D439-G442 PolarHBondContact O-N 3.35Å; G442-T444 PolarHBondContact O-N 3.42Å; G442-A445 WeakPolarHBondContact O-CB 3.13Å; G442-A445 PolarHBondContact O-N 3.09Å; G442-M446 WeakPolarHBondContact O-CG 3.25Å; G442-M446 PolarHBondContact O-N 3Å
443	C	94.5	Very high	93.7	Very high	77 Å²	77	39 Å²	39	52%	0.52	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-47.3	174.5	-70.6	0	0	0	0	111.8	D439 A445 M446 D447	D439-C443 WeakPolarHBondContact O-CB 3.37Å; D439-C443 PolarHBondContact O-N 3Å; D439-C443 PolarHBondContact O-SG 3.15Å; D439-C443 VanDerWaalsContact O-SG 3.37Å; C443-A445 VanDerWaalsContact C-N 3.26Å; C443-A445 PolarHBondContact O-N 3.04Å; C443-M446 PolarHBondContact O-N 2.83Å; C443-D447 WeakPolarHBondContact O-CB 3.45Å; C443-D447 PolarHBondContact O-N 3.44Å
444	T	95.6	Very high	93.4	Very high	29 Å²	29	43.3 Å²	43.3	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-35.6	179	-47.2	0	0	0	0	112	K440 V441 G442 F448 L524 L605 I624	K440-T444 WeakPolarHBondContact O-CB 3.29Å; K440-T444 PolarHBondContact O-N 2.76Å; K440-T444 PolarHBondContact O-OG1 3.29Å; V441-T444 PolarHBondContact O-N 2.96Å; G442-T444 PolarHBondContact O-N 3.42Å; T444-F448 WeakPolarHBondContact O-CB 3.43Å; T444-F448 PolarHBondContact O-N 3.4Å; T444-F448 VanDerWaalsContact O-N 3.08Å; T444-L524 HydrophobicContact CG2-CD1 4.33Å; T444-L605 HydrophobicContact CG2-CD1 4.19Å; T444-I624 HydrophobicContact CG2-CD1 4.03Å
445	A	95.3	Very high	93.2	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-46.4	175.4	0	0	0	0	0	112.5	V441 G442 C443 D447 F448 L449 L573	V441-A445 WeakPolarHBondContact O-CB 3.47Å; V441-A445 PolarHBondContact O-N 3.08Å; G442-A445 WeakPolarHBondContact O-CB 3.13Å; G442-A445 PolarHBondContact O-N 3.09Å; C443-A445 VanDerWaalsContact C-N 3.26Å; C443-A445 PolarHBondContact O-N 3.04Å; A445-D447 PolarHBondContact O-N 2.83Å; A445-F448 WeakPolarHBondContact O-CB 3.46Å; A445-F448 PolarHBondContact O-N 3.18Å; A445-L449 WeakPolarHBondContact O-CG 3.36Å; A445-L449 PolarHBondContact O-N 2.83Å; A445-L573 HydrophobicContact CB-CD1 3.81Å
446	M	94.4	Very high	93.3	Very high	57 Å²	57	48.5 Å²	48.5	28%	0.281	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-40	178.5	-65.4	-60.1	-72.5	0	0	111.8	G442 C443 F448 L449 K450 E476	G442-M446 WeakPolarHBondContact O-CG 3.25Å; G442-M446 PolarHBondContact O-N 3Å; C443-M446 PolarHBondContact O-N 2.83Å; M446-F448 VanDerWaalsContact C-N 3.34Å; M446-L449 PolarHBondContact O-N 2.64Å; M446-L449 HydrophobicContact SD-CD1 4.3Å; M446-K450 VanDerWaalsContact O-CG 3.29Å; M446-K450 WeakPolarHBondContact O-CG 3.4Å; M446-K450 PolarHBondContact O-N 3.11Å; M446-E476 HydrophobicContact CE-CB 3.71Å; M446-E476 HydrophobicContact CE-CG 3.87Å; M446-E476 WeakPolarHBondContact CE-OE2 3.35Å
447	D	94.4	Very high	93.3	Very high	81 Å²	81	44.9 Å²	44.9	43%	0.433	25%	0.247	S	C	.	.	H	α-helix	trans	-70.6	-31.1	177.5	-65.4	-20.4	0	0	0	111.9	C443 A445 K450 T451	C443-D447 WeakPolarHBondContact O-CB 3.45Å; C443-D447 PolarHBondContact O-N 3.44Å; A445-D447 PolarHBondContact O-N 2.83Å; D447-K450 IonicContact OD1-NZ 2.73Å; D447-K450 PolarHBondContact OD1-NZ 3.17Å; D447-T451 WeakPolarHBondContact O-CB 3.37Å; D447-T451 PolarHBondContact O-N 3.08Å; D447-T451 PolarHBondContact O-OG1 3.26Å
448	F	95.5	Very high	93.2	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-47.2	167.5	167.2	-132.4	0	0	0	112.2	T444 A445 M446 T451 L452 L524 V526 L608 L618	T444-F448 WeakPolarHBondContact O-CB 3.43Å; T444-F448 PolarHBondContact O-N 3.4Å; T444-F448 VanDerWaalsContact O-N 3.08Å; A445-F448 WeakPolarHBondContact O-CB 3.46Å; A445-F448 PolarHBondContact O-N 3.18Å; M446-F448 VanDerWaalsContact C-N 3.34Å; F448-T451 PolarHBondContact O-N 3Å; F448-L452 HydrophobicContact CE2-CB 4.29Å; F448-L452 HydrophobicContact CE2-CD2 4.37Å; F448-L452 HydrophobicContact CZ-CD2 4.25Å; F448-L452 VanDerWaalsContact O-CB 3.31Å; F448-L452 WeakPolarHBondContact O-CB 3.17Å; F448-L452 PolarHBondContact O-N 2.83Å; F448-L524 HydrophobicContact CB-CD1 3.87Å; F448-L524 HydrophobicContact CD1-CB 3.58Å; F448-L524 HydrophobicContact CD1-CD1 3.71Å; F448-L524 HydrophobicContact CD1-CG 4.3Å; F448-L524 HydrophobicContact CE1-CB 3.6Å; F448-L524 HydrophobicContact CG-CB 4.45Å; F448-L524 HydrophobicContact CG-CD1 4.01Å; F448-V526 HydrophobicContact CE1-CG2 3.62Å; F448-V526 HydrophobicContact CZ-CG2 3.98Å; F448-L608 HydrophobicContact CE2-CD1 4.11Å; F448-L608 HydrophobicContact CZ-CD1 4.4Å; F448-L618 HydrophobicContact CB-CD2 4.48Å; F448-L618 HydrophobicContact CD2-CB 4.28Å; F448-L618 HydrophobicContact CD2-CD2 3.5Å; F448-L618 VanDerWaalsContact CD2-CD2 3.5Å; F448-L618 HydrophobicContact CE1-CB 4.4Å; F448-L618 HydrophobicContact CE2-CB 3.71Å; F448-L618 HydrophobicContact CE2-CD2 3.8Å; F448-L618 HydrophobicContact CE2-CG 4.38Å; F448-L618 HydrophobicContact CG-CD2 3.95Å; F448-L618 HydrophobicContact CZ-CB 3.77Å; F448-L618 HydrophobicContact CZ-CD2 4.46Å
449	L	94.9	Very high	93.1	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-47	178.5	-69.4	171.7	0	0	0	112	A445 M446 T451 L452 D453 L475 F479 V526 V531	A445-L449 WeakPolarHBondContact O-CG 3.36Å; A445-L449 PolarHBondContact O-N 2.83Å; M446-L449 PolarHBondContact O-N 2.64Å; M446-L449 HydrophobicContact SD-CD1 4.3Å; L449-T451 VanDerWaalsContact C-N 3.34Å; L449-T451 PolarHBondContact O-N 2.84Å; L449-L452 PolarHBondContact O-N 3.04Å; L449-D453 PolarHBondContact O-N 2.91Å; L449-L475 HydrophobicContact CB-CB 4.17Å; L449-L475 HydrophobicContact CD2-CB 4.29Å; L449-L475 HydrophobicContact CD2-CD1 4.37Å; L449-F479 HydrophobicContact CD1-CD2 4.43Å; L449-F479 HydrophobicContact CD2-CD2 4.41Å; L449-F479 HydrophobicContact CD2-CE2 4.29Å; L449-V526 HydrophobicContact CD2-CG1 4.42Å; L449-V526 HydrophobicContact CD2-CG2 3.76Å; L449-V531 HydrophobicContact CD1-CG2 4.27Å; L449-V531 HydrophobicContact CD2-CG1 4.36Å; L449-V531 HydrophobicContact CD2-CG2 3.89Å
450	K	93.7	Very high	92.9	Very high	79 Å²	79	49.9 Å²	49.9	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-54.7	-48.7	172.8	-73.6	167	-165.4	160.9	0	112.1	M446 D447 T454 E476	M446-K450 VanDerWaalsContact O-CG 3.29Å; M446-K450 WeakPolarHBondContact O-CG 3.4Å; M446-K450 PolarHBondContact O-N 3.11Å; D447-K450 IonicContact OD1-NZ 2.73Å; D447-K450 PolarHBondContact OD1-NZ 3.17Å; K450-T454 WeakPolarHBondContact O-CG2 3.44Å; K450-T454 PolarHBondContact O-N 3.5Å; K450-E476 WeakPolarHBondContact CE-OE1 3.41Å; K450-E476 WeakPolarHBondContact CE-OE2 3.41Å; K450-E476 HydrophobicContact CG-CG 3.99Å; K450-E476 VanDerWaalsContact CG-OE1 3.22Å; K450-E476 WeakPolarHBondContact CG-OE1 3.36Å; K450-E476 IonicContact NZ-OE2 3.19Å
451	T	93	Very high	92.7	Very high	59 Å²	59	47 Å²	47	36%	0.362	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-46.6	-178.6	-51.7	0	0	0	0	109.9	D447 F448 L449 D453 T454 L455 M603	D447-T451 WeakPolarHBondContact O-CB 3.37Å; D447-T451 PolarHBondContact O-N 3.08Å; D447-T451 PolarHBondContact O-OG1 3.26Å; F448-T451 PolarHBondContact O-N 3Å; L449-T451 VanDerWaalsContact C-N 3.34Å; L449-T451 PolarHBondContact O-N 2.84Å; T451-D453 PolarHBondContact O-N 3.2Å; T451-T454 PolarHBondContact O-N 2.98Å; T451-T454 VanDerWaalsContact O-N 3.13Å; T451-T454 PolarHBondContact O-OG1 3.04Å; T451-L455 HydrophobicContact CG2-CD2 4.42Å; T451-L455 WeakPolarHBondContact O-CG 3.33Å; T451-L455 PolarHBondContact O-N 3.22Å; T451-M603 HydrophobicContact CG2-CE 3.32Å
452	L	92.5	Very high	92.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-47.7	-179.6	-177.4	63.6	0	0	0	112.3	F448 L449 T454 L455 F458 L475 V526 L608 W616	F448-L452 HydrophobicContact CE2-CB 4.29Å; F448-L452 HydrophobicContact CE2-CD2 4.37Å; F448-L452 HydrophobicContact CZ-CD2 4.25Å; F448-L452 VanDerWaalsContact O-CB 3.31Å; F448-L452 WeakPolarHBondContact O-CB 3.17Å; F448-L452 PolarHBondContact O-N 2.83Å; L449-L452 PolarHBondContact O-N 3.04Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.48Å; L452-L455 HydrophobicContact CD1-CD1 4.48Å; L452-L455 WeakPolarHBondContact O-CB 3.26Å; L452-L455 PolarHBondContact O-N 2.94Å; L452-F458 HydrophobicContact CD1-CB 4.04Å; L452-F458 HydrophobicContact CD1-CD2 3.84Å; L452-F458 HydrophobicContact CD1-CG 4.14Å; L452-F458 HydrophobicContact CD2-CD2 4.11Å; L452-F458 HydrophobicContact CD2-CE2 4.15Å; L452-F458 HydrophobicContact CG-CB 4.32Å; L452-F458 HydrophobicContact CG-CD2 3.72Å; L452-F458 HydrophobicContact CG-CE2 4.19Å; L452-F458 HydrophobicContact CG-CG 3.98Å; L452-F458 WeakPolarHBondContact O-CB 3.43Å; L452-L475 HydrophobicContact CB-CD1 4.41Å; L452-L475 HydrophobicContact CD2-CD1 4.08Å; L452-L475 HydrophobicContact CG-CD1 4.28Å; L452-V526 HydrophobicContact CD2-CB 4.3Å; L452-V526 HydrophobicContact CD2-CG2 3.86Å; L452-L608 HydrophobicContact CD1-CD1 4.34Å; L452-L608 HydrophobicContact CD1-CD2 3.82Å; L452-W616 HydrophobicContact CD1-CD2 4.19Å; L452-W616 HydrophobicContact CD1-CE3 4.14Å; L452-W616 HydrophobicContact CD1-CG 4.46Å; L452-W616 HydrophobicContact CD2-CB 4.47Å; L452-W616 HydrophobicContact CD2-CG 4.45Å
453	D	90.1	Very high	91.9	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-38.2	178.4	-173.3	45.6	0	0	0	112.3	L449 T451 L455 K459 L475	L449-D453 PolarHBondContact O-N 2.91Å; T451-D453 PolarHBondContact O-N 3.2Å; D453-L455 VanDerWaalsContact C-N 3.26Å; D453-L455 PolarHBondContact O-N 3.21Å; D453-K459 WeakPolarHBondContact O-CE 3.41Å; D453-L475 HydrophobicContact CB-CD1 4.08Å; D453-L475 HydrophobicContact CB-CG 4.24Å
454	T	90.4	Very high	91.6	Very high	89 Å²	89	49.7 Å²	49.7	55%	0.546	26%	0.261	S	S	.	.	H	α-helix	trans	-69	-18	175.9	67.4	0	0	0	0	114.3	K450 T451 L452 K459	K450-T454 WeakPolarHBondContact O-CG2 3.44Å; K450-T454 PolarHBondContact O-N 3.5Å; T451-T454 PolarHBondContact O-N 2.98Å; T451-T454 VanDerWaalsContact O-N 3.13Å; T451-T454 PolarHBondContact O-OG1 3.04Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.48Å; T454-K459 VanDerWaalsContact O-CE 3.24Å; T454-K459 WeakPolarHBondContact O-CE 3.37Å; T454-K459 PolarHBondContact O-NZ 3.35Å
455	L	91.6	Very high	91.1	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.084	25%	0.253	C	S	.	.			trans	-72.9	129.7	-173.7	-62.4	-172.7	0	0	0	113	T451 L452 D453 G457 F458 K459 M603 L608	T451-L455 HydrophobicContact CG2-CD2 4.42Å; T451-L455 WeakPolarHBondContact O-CG 3.33Å; T451-L455 PolarHBondContact O-N 3.22Å; L452-L455 HydrophobicContact CD1-CD1 4.48Å; L452-L455 WeakPolarHBondContact O-CB 3.26Å; L452-L455 PolarHBondContact O-N 2.94Å; D453-L455 VanDerWaalsContact C-N 3.26Å; D453-L455 PolarHBondContact O-N 3.21Å; L455-G457 PolarHBondContact O-N 3.14Å; L455-G457 VanDerWaalsContact O-N 3.1Å; L455-F458 HydrophobicContact CB-CB 4.29Å; L455-F458 PolarHBondContact O-N 2.68Å; L455-K459 WeakPolarHBondContact O-CG 3.21Å; L455-K459 PolarHBondContact O-N 3.17Å; L455-K459 VanDerWaalsContact O-N 3.09Å; L455-M603 HydrophobicContact CD1-CE 4.29Å; L455-M603 HydrophobicContact CD1-SD 4.47Å; L455-L608 HydrophobicContact CD1-CD2 3.41Å; L455-L608 VanDerWaalsContact CD1-CD2 3.41Å
456	E	91.1	Very high	90.4	Very high	118 Å²	118	49.6 Å²	49.6	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-63.9	-11.9	168.9	-62.2	-57.7	124.4	0	0	113	K459 K460	E456-K459 WeakPolarHBondContact OE1-CD 3.37Å; E456-K459 IonicContact OE1-NZ 3.31Å; E456-K459 PolarHBondContact OE1-NZ 3.39Å; E456-K460 WeakPolarHBondContact O-CD 3.02Å; E456-K460 WeakPolarHBondContact O-CE 3.35Å; E456-K460 VanDerWaalsContact O-CG 3.27Å; E456-K460 WeakPolarHBondContact O-CG 3.41Å; E456-K460 PolarHBondContact O-NZ 3.35Å
457	G	90.2	Very high	89.2	Confident	9 Å²	9	56.3 Å²	56.3	9%	0.093	29%	0.29	C	S	.	.	H	α-helix	trans	-72.8	-48.9	166.5	0	0	0	0	0	112	L455	L455-G457 PolarHBondContact O-N 3.14Å; L455-G457 VanDerWaalsContact O-N 3.1Å
458	F	91	Very high	87.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-48.8	-179.8	-177.9	-109.2	0	0	0	112	L452 L455 K460 H461 I462 F465 L475 W616	L452-F458 HydrophobicContact CD1-CB 4.04Å; L452-F458 HydrophobicContact CD1-CD2 3.84Å; L452-F458 HydrophobicContact CD1-CG 4.14Å; L452-F458 HydrophobicContact CD2-CD2 4.11Å; L452-F458 HydrophobicContact CD2-CE2 4.15Å; L452-F458 HydrophobicContact CG-CB 4.32Å; L452-F458 HydrophobicContact CG-CD2 3.72Å; L452-F458 HydrophobicContact CG-CE2 4.19Å; L452-F458 HydrophobicContact CG-CG 3.98Å; L452-F458 WeakPolarHBondContact O-CB 3.43Å; L455-F458 HydrophobicContact CB-CB 4.29Å; L455-F458 PolarHBondContact O-N 2.68Å; F458-K460 PolarHBondContact O-N 2.93Å; F458-K460 VanDerWaalsContact O-N 3.15Å; F458-H461 CarbonylContact O-C 3.52Å; F458-H461 WeakPolarHBondContact O-CA 3.45Å; F458-H461 PolarHBondContact O-N 2.85Å; F458-I462 HydrophobicContact CD1-CD1 4.24Å; F458-I462 HydrophobicContact CE1-CD1 3.48Å; F458-I462 VanDerWaalsContact CE1-CD1 3.48Å; F458-I462 HydrophobicContact CZ-CD1 3.85Å; F458-I462 PolarHBondContact O-N 3.14Å; F458-F465 HydrophobicContact CE2-CD2 4.01Å; F458-F465 HydrophobicContact CE2-CE2 4.3Å; F458-F465 HydrophobicContact CE2-CG 4.21Å; F458-F465 HydrophobicContact CZ-CD1 4.08Å; F458-F465 HydrophobicContact CZ-CD2 4.21Å; F458-F465 HydrophobicContact CZ-CE1 4.34Å; F458-F465 HydrophobicContact CZ-CE2 4.47Å; F458-F465 HydrophobicContact CZ-CG 4.01Å; F458-L475 HydrophobicContact CE1-CD1 3.93Å; F458-L475 HydrophobicContact CE1-CD2 4.47Å; F458-L475 HydrophobicContact CE1-CG 4.39Å; F458-L475 HydrophobicContact CE2-CD1 4.44Å; F458-L475 HydrophobicContact CZ-CD1 3.81Å; F458-L475 HydrophobicContact CZ-CD2 4.07Å; F458-L475 HydrophobicContact CZ-CG 4.36Å; F458-W616 HydrophobicContact CB-CZ2 4.37Å; F458-W616 HydrophobicContact CD2-CD2 4.28Å; F458-W616 AromaticContact CD2-CE2 3.6Å; F458-W616 AromaticContact CD2-CZ2 3.86Å; F458-W616 HydrophobicContact CD2-CZ2 3.86Å; F458-W616 AromaticContact CD2-NE1 3.45Å; F458-W616 AromaticContact CE2-CD1 3.95Å; F458-W616 AromaticContact CE2-NE1 3.56Å
459	K	89.8	Confident	86.1	Confident	87 Å²	87	60.9 Å²	60.9	38%	0.378	32%	0.315	S	S	.	.	H	α-helix	trans	-57.5	-31.9	-178	-64.2	172.1	-158.1	163.4	0	113.9	D453 T454 L455 E456 H461 I462	D453-K459 WeakPolarHBondContact O-CE 3.41Å; T454-K459 VanDerWaalsContact O-CE 3.24Å; T454-K459 WeakPolarHBondContact O-CE 3.37Å; T454-K459 PolarHBondContact O-NZ 3.35Å; L455-K459 WeakPolarHBondContact O-CG 3.21Å; L455-K459 PolarHBondContact O-N 3.17Å; L455-K459 VanDerWaalsContact O-N 3.09Å; E456-K459 WeakPolarHBondContact OE1-CD 3.37Å; E456-K459 IonicContact OE1-NZ 3.31Å; E456-K459 PolarHBondContact OE1-NZ 3.39Å; K459-H461 PolarHBondContact O-N 3.44Å; K459-I462 WeakPolarHBondContact O-CG2 3.46Å; K459-I462 PolarHBondContact O-N 3.35Å
460	K	89.4	Confident	84.3	Confident	153 Å²	153	69.9 Å²	69.9	67%	0.665	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.4	175.1	-71.4	168.1	-168.3	127.8	0	113.2	E456 F458	E456-K460 WeakPolarHBondContact O-CD 3.02Å; E456-K460 WeakPolarHBondContact O-CE 3.35Å; E456-K460 VanDerWaalsContact O-CG 3.27Å; E456-K460 WeakPolarHBondContact O-CG 3.41Å; E456-K460 PolarHBondContact O-NZ 3.35Å; F458-K460 PolarHBondContact O-N 2.93Å; F458-K460 VanDerWaalsContact O-N 3.15Å
461	H	89.1	Confident	82.9	Confident	52 Å²	52	72.3 Å²	72.3	24%	0.241	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	14.4	-178	-67.6	-74.5	0	0	0	112.7	F458 K459 A463 D464 F465 Y610 W616	F458-H461 CarbonylContact O-C 3.52Å; F458-H461 WeakPolarHBondContact O-CA 3.45Å; F458-H461 PolarHBondContact O-N 2.85Å; K459-H461 PolarHBondContact O-N 3.44Å; H461-A463 PolarHBondContact O-N 2.82Å; H461-A463 VanDerWaalsContact O-N 3.14Å; H461-D464 IonicContact CE1-OD2 3.72Å; H461-D464 IonicContact CG-OD2 2.9Å; H461-D464 IonicContact ND1-OD2 4Å; H461-D464 PolarHBondContact ND1-OD2 3.1Å; H461-D464 WeakPolarHBondContact O-CA 3.21Å; H461-D464 WeakPolarHBondContact O-CB 3.5Å; H461-D464 PolarHBondContact O-N 3.26Å; H461-F465 PolarHBondContact O-N 2.96Å; H461-Y610 HydrophobicContact CB-CE1 4.22Å; H461-Y610 HydrophobicContact CB-CE2 4.47Å; H461-Y610 AromaticContact CE1-CD1 3.98Å; H461-Y610 AromaticContact CE1-CE1 3.58Å; H461-Y610 AromaticContact CG-CE1 3.6Å; H461-Y610 AromaticContact CG-CZ 3.9Å; H461-Y610 AromaticContact ND1-CE1 3.29Å; H461-Y610 VanDerWaalsContact ND1-CE1 3.29Å; H461-Y610 WeakPolarHBondContact ND1-CE1 3.37Å; H461-Y610 AromaticContact ND1-CZ 3.83Å; H461-W616 HydrophobicContact CB-CZ2 4.02Å
462	I	87.3	Confident	81.8	Confident	26 Å²	26	78.3 Å²	78.3	13%	0.133	39%	0.392	C	S	.	.	H	α-helix	trans	-60	-26.8	178	-161.1	67.2	0	0	0	112.5	F458 K459 D464 F465 T466 P469 V473	F458-I462 HydrophobicContact CD1-CD1 4.24Å; F458-I462 HydrophobicContact CE1-CD1 3.48Å; F458-I462 VanDerWaalsContact CE1-CD1 3.48Å; F458-I462 HydrophobicContact CZ-CD1 3.85Å; F458-I462 PolarHBondContact O-N 3.14Å; K459-I462 WeakPolarHBondContact O-CG2 3.46Å; K459-I462 PolarHBondContact O-N 3.35Å; I462-D464 VanDerWaalsContact C-N 3.33Å; I462-F465 HydrophobicContact CD1-CB 4.42Å; I462-F465 WeakPolarHBondContact O-CB 3.46Å; I462-F465 PolarHBondContact O-N 3.38Å; I462-F465 VanDerWaalsContact O-N 3.12Å; I462-T466 PolarHBondContact O-N 3.36Å; I462-T466 PolarHBondContact O-OG1 2.79Å; I462-P469 HydrophobicContact CG2-CB 4.3Å; I462-V473 HydrophobicContact CD1-CB 4.18Å; I462-V473 HydrophobicContact CD1-CG2 3.88Å; I462-V473 HydrophobicContact CG1-CG2 4.18Å
463	A	86.8	Confident	81	Confident	59 Å²	59	79 Å²	79	49%	0.488	40%	0.396	S	S	.	.	H	α-helix	trans	-70.5	-24	172.7	0	0	0	0	0	114	H461 F465 P469	H461-A463 PolarHBondContact O-N 2.82Å; H461-A463 VanDerWaalsContact O-N 3.14Å; A463-F465 VanDerWaalsContact C-N 3.31Å; A463-P469 HydrophobicContact CB-CB 3.75Å; A463-P469 HydrophobicContact CB-CG 4.16Å
464	D	87.6	Confident	80.9	Confident	74 Å²	74	80.2 Å²	80.2	40%	0.396	40%	0.402	S	S	.	.	H	α-helix	trans	-83.1	-15.6	170.7	-56.6	-34.9	0	0	0	110.9	H461 I462 Y610 E613 G614	H461-D464 IonicContact CE1-OD2 3.72Å; H461-D464 IonicContact CG-OD2 2.9Å; H461-D464 IonicContact ND1-OD2 4Å; H461-D464 PolarHBondContact ND1-OD2 3.1Å; H461-D464 WeakPolarHBondContact O-CA 3.21Å; H461-D464 WeakPolarHBondContact O-CB 3.5Å; H461-D464 PolarHBondContact O-N 3.26Å; I462-D464 VanDerWaalsContact C-N 3.33Å; D464-Y610 WeakPolarHBondContact CB-OH 3.42Å; D464-Y610 PolarHBondContact OD2-OH 3.02Å; D464-E613 CarbonylContact O-C 3.56Å; D464-G614 WeakPolarHBondContact O-CA 3.35Å; D464-G614 PolarHBondContact O-N 3.26Å
465	F	85.6	Confident	80.8	Confident	5 Å²	5	76.1 Å²	76.1	2%	0.022	38%	0.377	C	S	.	.	H	α-helix	trans	-94.7	-32.9	-179.7	-157.7	-98.7	0	0	0	113.3	F458 H461 I462 A463 V473 L475 Y478 F479 V526 P528 G614	F458-F465 HydrophobicContact CE2-CD2 4.01Å; F458-F465 HydrophobicContact CE2-CE2 4.3Å; F458-F465 HydrophobicContact CE2-CG 4.21Å; F458-F465 HydrophobicContact CZ-CD1 4.08Å; F458-F465 HydrophobicContact CZ-CD2 4.21Å; F458-F465 HydrophobicContact CZ-CE1 4.34Å; F458-F465 HydrophobicContact CZ-CE2 4.47Å; F458-F465 HydrophobicContact CZ-CG 4.01Å; H461-F465 PolarHBondContact O-N 2.96Å; I462-F465 HydrophobicContact CD1-CB 4.42Å; I462-F465 WeakPolarHBondContact O-CB 3.46Å; I462-F465 PolarHBondContact O-N 3.38Å; I462-F465 VanDerWaalsContact O-N 3.12Å; A463-F465 VanDerWaalsContact C-N 3.31Å; F465-V473 HydrophobicContact CE1-CG1 4.5Å; F465-L475 HydrophobicContact CD1-CD2 4.4Å; F465-L475 HydrophobicContact CE1-CD2 3.56Å; F465-L475 HydrophobicContact CZ-CD2 3.93Å; F465-Y478 HydrophobicContact CE1-CD1 4.47Å; F465-Y478 HydrophobicContact CE1-CE1 4.33Å; F465-F479 HydrophobicContact CZ-CE2 4.33Å; F465-F479 AromaticContact CZ-CZ 3.97Å; F465-F479 HydrophobicContact CZ-CZ 3.97Å; F465-V526 HydrophobicContact CE2-CG1 3.78Å; F465-V526 HydrophobicContact CZ-CG1 3.75Å; F465-P528 HydrophobicContact CD2-CG 4.07Å; F465-P528 HydrophobicContact CE2-CG 4.37Å; F465-G614 WeakPolarHBondContact CD2-O 3.49Å
466	T	80.5	Confident	80.6	Confident	27 Å²	27	79.3 Å²	79.3	17%	0.166	39%	0.391	C	S	.	.			trans	-139.9	148.6	178	63.6	0	0	0	0	113.3	I462 Q468 V473	I462-T466 PolarHBondContact O-N 3.36Å; I462-T466 PolarHBondContact O-OG1 2.79Å; T466-Q468 PolarHBondContact O-N 2.93Å; T466-Q468 VanDerWaalsContact O-N 3.07Å; T466-V473 HydrophobicContact CG2-CG1 4.21Å; T466-V473 HydrophobicContact CG2-CG2 3.65Å
467	E	69.1	Low	80.5	Confident	198 Å²	198	81.3 Å²	81.3	93%	0.925	40%	0.401	S	S	*	.	S	Bend	trans	-67.3	-3.5	175.6	-56.3	-174.2	163.6	0	0	114.1
468	Q	65.7	Low	80.6	Confident	108 Å²	108	84.6 Å²	84.6	51%	0.505	41%	0.411	S	S	.	.			trans	-134	74.9	-177	-64.5	-168.8	1	0	0	111.2	T466 E470 K471	T466-Q468 PolarHBondContact O-N 2.93Å; T466-Q468 VanDerWaalsContact O-N 3.07Å; Q468-E470 PolarHBondContact O-N 2.89Å; Q468-K471 HydrophobicContact CB-CD 4.37Å; Q468-K471 PolarHBondContact O-N 3Å
469	P	59.5	Low	80.8	Confident	71 Å²	71	85.2 Å²	85.2	46%	0.461	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-3	-175.1	27.1	-36.7	0	0	0	115.6	I462 A463 K471	I462-P469 HydrophobicContact CG2-CB 4.3Å; A463-P469 HydrophobicContact CB-CB 3.75Å; A463-P469 HydrophobicContact CB-CG 4.16Å; P469-K471 VanDerWaalsContact C-N 3.33Å
470	E	57.3	Low	80.9	Confident	195 Å²	195	85.1 Å²	85.1	91%	0.911	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.5	172.1	-61	-176.1	165.5	0	0	112.8	Q468	Q468-E470 PolarHBondContact O-N 2.89Å
471	K	63.8	Low	80.8	Confident	130 Å²	130	83 Å²	83	57%	0.565	41%	0.414	S	S	*	.	S	Bend	trans	-105.5	129.8	173.1	-74.2	176.1	176.2	165.9	0	110.8	Q468 P469 V473	Q468-K471 HydrophobicContact CB-CD 4.37Å; Q468-K471 PolarHBondContact O-N 3Å; P469-K471 VanDerWaalsContact C-N 3.33Å; K471-V473 WeakPolarHBondContact O-CG2 3.4Å
472	E	68.7	Low	80.3	Confident	186 Å²	186	85.2 Å²	85.2	87%	0.869	42%	0.423	S	S	*	.			trans	-63.7	139.2	163.2	-164.2	161.4	-133.4	0	0	109.1
473	V	76.8	Confident	80.1	Confident	14 Å²	14	86.1 Å²	86.1	9%	0.085	44%	0.439	C	S	.	.			trans	-121.6	92	-169.5	-171.9	0	0	0	0	108.7	I462 F465 T466 K471 L475 Y478	I462-V473 HydrophobicContact CD1-CB 4.18Å; I462-V473 HydrophobicContact CD1-CG2 3.88Å; I462-V473 HydrophobicContact CG1-CG2 4.18Å; F465-V473 HydrophobicContact CE1-CG1 4.5Å; T466-V473 HydrophobicContact CG2-CG1 4.21Å; T466-V473 HydrophobicContact CG2-CG2 3.65Å; K471-V473 WeakPolarHBondContact O-CG2 3.4Å; V473-L475 HydrophobicContact CG1-CD2 4.16Å; V473-L475 PolarHBondContact O-N 2.75Å; V473-Y478 HydrophobicContact CG1-CD2 3.96Å; V473-Y478 HydrophobicContact CG1-CG 4.32Å
474	D	86.9	Confident	80.3	Confident	68 Å²	68	83.8 Å²	83.8	36%	0.364	42%	0.419	S	S	.	.			trans	-59.8	101.2	173.9	-176.9	-33.1	0	0	0	109.8	E476 Q477 Y478	D474-E476 PolarHBondContact O-N 3.3Å; D474-E476 WeakPolarHBondContact OD1-CA 3.45Å; D474-E476 VanDerWaalsContact OD1-CB 3.29Å; D474-E476 WeakPolarHBondContact OD1-CB 2.93Å; D474-E476 PolarHBondContact OD1-N 3.33Å; D474-Q477 HydrophobicContact CB-CB 4.23Å; D474-Q477 PolarHBondContact O-N 2.79Å; D474-Q477 PolarHBondContact OD1-N 3.17Å; D474-Q477 PolarHBondContact OD2-NE2 2.79Å; D474-Y478 VanDerWaalsContact O-CB 3.32Å; D474-Y478 WeakPolarHBondContact O-CB 3.48Å; D474-Y478 PolarHBondContact O-N 3.48Å
475	L	89.8	Confident	80.7	Confident	2 Å²	2	81.4 Å²	81.4	1%	0.01	41%	0.405	C	S	.	.	H	α-helix	trans	-69.4	-19.3	-178.9	-64.2	-174.5	0	0	0	112.9	L449 L452 D453 F458 F465 V473 F479	L449-L475 HydrophobicContact CB-CB 4.17Å; L449-L475 HydrophobicContact CD2-CB 4.29Å; L449-L475 HydrophobicContact CD2-CD1 4.37Å; L452-L475 HydrophobicContact CB-CD1 4.41Å; L452-L475 HydrophobicContact CD2-CD1 4.08Å; L452-L475 HydrophobicContact CG-CD1 4.28Å; D453-L475 HydrophobicContact CB-CD1 4.08Å; D453-L475 HydrophobicContact CB-CG 4.24Å; F458-L475 HydrophobicContact CE1-CD1 3.93Å; F458-L475 HydrophobicContact CE1-CD2 4.47Å; F458-L475 HydrophobicContact CE1-CG 4.39Å; F458-L475 HydrophobicContact CE2-CD1 4.44Å; F458-L475 HydrophobicContact CZ-CD1 3.81Å; F458-L475 HydrophobicContact CZ-CD2 4.07Å; F458-L475 HydrophobicContact CZ-CG 4.36Å; F465-L475 HydrophobicContact CD1-CD2 4.4Å; F465-L475 HydrophobicContact CE1-CD2 3.56Å; F465-L475 HydrophobicContact CZ-CD2 3.93Å; V473-L475 HydrophobicContact CG1-CD2 4.16Å; V473-L475 PolarHBondContact O-N 2.75Å; L475-F479 HydrophobicContact CD2-CE2 4.3Å; L475-F479 WeakPolarHBondContact O-CD2 3.34Å
476	E	86.9	Confident	81.3	Confident	84 Å²	84	83 Å²	83	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-72.9	-35.6	173	-56.9	-166.7	-122.3	0	0	111	M446 K450 D474	M446-E476 HydrophobicContact CE-CB 3.71Å; M446-E476 HydrophobicContact CE-CG 3.87Å; M446-E476 WeakPolarHBondContact CE-OE2 3.35Å; K450-E476 WeakPolarHBondContact CE-OE1 3.41Å; K450-E476 WeakPolarHBondContact CE-OE2 3.41Å; K450-E476 HydrophobicContact CG-CG 3.99Å; K450-E476 VanDerWaalsContact CG-OE1 3.22Å; K450-E476 WeakPolarHBondContact CG-OE1 3.36Å; K450-E476 IonicContact NZ-OE2 3.19Å; D474-E476 PolarHBondContact O-N 3.3Å; D474-E476 WeakPolarHBondContact OD1-CA 3.45Å; D474-E476 VanDerWaalsContact OD1-CB 3.29Å; D474-E476 WeakPolarHBondContact OD1-CB 2.93Å; D474-E476 PolarHBondContact OD1-N 3.33Å
477	Q	89.7	Confident	82.2	Confident	160 Å²	160	81.8 Å²	81.8	75%	0.748	41%	0.405	S	S	*	.	H	α-helix	trans	-91.5	-18.1	178.7	-65.8	-174.8	63.3	0	0	114	D474	D474-Q477 HydrophobicContact CB-CB 4.23Å; D474-Q477 PolarHBondContact O-N 2.79Å; D474-Q477 PolarHBondContact OD1-N 3.17Å; D474-Q477 PolarHBondContact OD2-NE2 2.79Å
478	Y	92	Very high	83.5	Confident	77 Å²	77	74.2 Å²	74.2	30%	0.302	37%	0.373	S	S	.	.	H	α-helix	trans	-71.5	-29.3	-177.9	-172.2	-97.9	0	0	0	113.6	F465 V473 D474 P528 A576	F465-Y478 HydrophobicContact CE1-CD1 4.47Å; F465-Y478 HydrophobicContact CE1-CE1 4.33Å; V473-Y478 HydrophobicContact CG1-CD2 3.96Å; V473-Y478 HydrophobicContact CG1-CG 4.32Å; D474-Y478 VanDerWaalsContact O-CB 3.32Å; D474-Y478 WeakPolarHBondContact O-CB 3.48Å; D474-Y478 PolarHBondContact O-N 3.48Å; Y478-P528 PolarHBondContact OH-O 2.59Å; Y478-P528 VanDerWaalsContact OH-O 3.08Å; Y478-A576 HydrophobicContact CD1-CB 4.34Å; Y478-A576 HydrophobicContact CE1-CB 3.62Å
479	F	94.4	Very high	85.1	Confident	14 Å²	14	69.4 Å²	69.4	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.9	-174.2	-65.8	-70.9	0	0	0	112.5	L449 F465 L475 T481 V526 T527 V531 C575 A576	L449-F479 HydrophobicContact CD1-CD2 4.43Å; L449-F479 HydrophobicContact CD2-CD2 4.41Å; L449-F479 HydrophobicContact CD2-CE2 4.29Å; F465-F479 HydrophobicContact CZ-CE2 4.33Å; F465-F479 AromaticContact CZ-CZ 3.97Å; F465-F479 HydrophobicContact CZ-CZ 3.97Å; L475-F479 HydrophobicContact CD2-CE2 4.3Å; L475-F479 WeakPolarHBondContact O-CD2 3.34Å; F479-T481 PolarHBondContact O-N 3.48Å; F479-V526 HydrophobicContact CE2-CG1 3.83Å; F479-V526 HydrophobicContact CZ-CG1 3.71Å; F479-T527 WeakPolarHBondContact CZ-O 3.4Å; F479-V531 HydrophobicContact CB-CG2 4.26Å; F479-V531 HydrophobicContact CD1-CG2 3.74Å; F479-V531 HydrophobicContact CD2-CG2 3.29Å; F479-V531 HydrophobicContact CE1-CG2 3.78Å; F479-V531 HydrophobicContact CE2-CG2 3.32Å; F479-V531 HydrophobicContact CG-CG2 3.49Å; F479-V531 VanDerWaalsContact CG-CG2 3.49Å; F479-V531 HydrophobicContact CZ-CG2 3.57Å; F479-C575 CarbonylContact C-O 3.55Å; F479-C575 WeakPolarHBondContact CA-O 3.29Å; F479-A576 HydrophobicContact CE1-CB 4.49Å
480	E	92.7	Very high	86.9	Confident	85 Å²	85	66.3 Å²	66.3	40%	0.397	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.7	171.4	-65.2	175.3	179.1	0	0	110	K482 G574 C575	E480-K482 HydrophobicContact CB-CG 4.5Å; E480-K482 WeakPolarHBondContact OE2-CE 3.28Å; E480-K482 IonicContact OE2-NZ 4Å; E480-K482 PolarHBondContact OE2-NZ 2.64Å; E480-G574 WeakPolarHBondContact O-CA 3.43Å; E480-C575 PolarHBondContact N-O 3.05Å; E480-C575 PolarHBondContact O-N 2.97Å
481	T	86	Confident	88.7	Confident	108 Å²	108	62.1 Å²	62.1	66%	0.663	31%	0.309	S	S	*	.			trans	-70.1	128	166	56.9	0	0	0	0	109.4	F479	F479-T481 PolarHBondContact O-N 3.48Å
482	K	79.8	Confident	90.3	Very high	98 Å²	98	56 Å²	56	43%	0.426	28%	0.282	S	S	.	.			trans	-128.1	114.2	-175.7	-69.2	178.5	-178.1	171.8	0	111.6	E480	E480-K482 HydrophobicContact CB-CG 4.5Å; E480-K482 WeakPolarHBondContact OE2-CE 3.28Å; E480-K482 IonicContact OE2-NZ 4Å; E480-K482 PolarHBondContact OE2-NZ 2.64Å
483	G	83.4	Confident	91.5	Very high	45 Å²	45	49.1 Å²	49.1	46%	0.464	25%	0.252	S	S	.	.	S	Bend	trans	69.6	-165.2	169.5	0	0	0	0	0	115.6	E378	E378-G483 WeakPolarHBondContact OE1-CA 3.32Å
484	I	90.6	Very high	92.4	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.056	25%	0.252	C	S	.	.	S	Bend	trans	-70.6	132.8	176	-80.3	174.3	0	0	0	111	E378 L382 F432 H486	E378-I484 HydrophobicContact CG-CG1 4.46Å; E378-I484 PolarHBondContact OE1-N 3.43Å; L382-I484 WeakPolarHBondContact O-CD1 3.35Å; F432-I484 HydrophobicContact CB-CG2 4.38Å; F432-I484 HydrophobicContact CD1-CG2 4.04Å; I484-H486 PolarHBondContact O-N 3.09Å; I484-H486 PolarHBondContact O-ND1 2.97Å
485	L	96.4	Very high	92.8	Very high	23 Å²	23	48.1 Å²	48.1	12%	0.12	25%	0.253	C	S	.	.			trans	-65.6	123.4	174.7	-58.7	-173.9	0	0	0	110.8	L433 Q438 V441 I571 T572 L573	L433-L485 WeakPolarHBondContact CB-O 3.43Å; L433-L485 HydrophobicContact CD2-CB 4.32Å; L433-L485 PolarHBondContact N-O 3.35Å; Q438-L485 HydrophobicContact CB-CD1 4.24Å; Q438-L485 HydrophobicContact CB-CG 4.44Å; Q438-L485 HydrophobicContact CG-CB 4.08Å; Q438-L485 HydrophobicContact CG-CG 4.47Å; V441-L485 HydrophobicContact CB-CD1 4.31Å; V441-L485 HydrophobicContact CG1-CD1 4.07Å; L485-I571 HydrophobicContact CB-CG2 3.99Å; L485-I571 HydrophobicContact CD2-CG2 4.41Å; L485-T572 WeakPolarHBondContact CD2-O 3.24Å; L485-L573 HydrophobicContact CD1-CD2 4.05Å; L485-L573 HydrophobicContact CD2-CD2 4.25Å
486	H	97.7	Very high	93	Very high	40 Å²	40	55.1 Å²	55.1	19%	0.185	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.5	-176.3	66.3	-84	0	0	0	111.6	Y428 W431 F432 I484 T488	Y428-H486 AromaticContact CE2-CD2 3.58Å; Y428-H486 AromaticContact CE2-NE2 3.57Å; Y428-H486 AromaticContact CZ-CE1 3.91Å; Y428-H486 AromaticContact CZ-NE2 3.65Å; Y428-H486 PolarHBondContact OH-CE1 2.89Å; W431-H486 CarbonylContact O-C 3.41Å; W431-H486 WeakPolarHBondContact O-CA 3.38Å; W431-H486 WeakPolarHBondContact O-CB 3.42Å; F432-H486 HydrophobicContact CB-CB 4.5Å; F432-H486 HydrophobicContact CD1-CB 3.65Å; F432-H486 HydrophobicContact CE1-CB 3.99Å; F432-H486 HydrophobicContact CG-CB 4.11Å; I484-H486 PolarHBondContact O-N 3.09Å; I484-H486 PolarHBondContact O-ND1 2.97Å; H486-T488 PolarHBondContact CD2-OG1 3.36Å; H486-T488 PolarHBondContact NE2-OG1 2.75Å; H486-T488 VanDerWaalsContact NE2-OG1 3.16Å
487	C	98.4	Very high	93.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	105.3	168.1	-178.5	0	0	0	0	108.8	G430 W431 L519 V535 H570 I571	G430-C487 CarbonylContact C-O 3.56Å; G430-C487 WeakPolarHBondContact CA-O 3.39Å; W431-C487 HydrophobicContact CB-CB 4.45Å; W431-C487 HydrophobicContact CE3-CB 4.14Å; W431-C487 PolarHBondContact N-O 2.87Å; W431-C487 PolarHBondContact O-N 2.86Å; C487-L519 HydrophobicContact CB-CD1 3.9Å; C487-V535 HydrophobicContact CB-CG2 4.46Å; C487-H570 WeakPolarHBondContact CA-O 3.15Å; C487-H570 PolarHBondContact SG-O 3.24Å; C487-H570 VanDerWaalsContact SG-O 3.33Å; C487-I571 HydrophobicContact CB-CG1 3.96Å
488	T	97.8	Very high	93.5	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.239	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.8	178	-79.4	0	0	0	0	111.1	Y428 H486	Y428-T488 WeakPolarHBondContact CD2-OG1 3.34Å; H486-T488 PolarHBondContact CD2-OG1 3.36Å; H486-T488 PolarHBondContact NE2-OG1 2.75Å; H486-T488 VanDerWaalsContact NE2-OG1 3.16Å
489	T	97.5	Very high	93.6	Very high	8 Å²	8	48.9 Å²	48.9	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-69.6	171.1	54.7	0	0	0	0	111.5	F429 W431 Y503 W545 P546 F630	F429-T489 WeakPolarHBondContact CB-OG1 3.43Å; F429-T489 PolarHBondContact O-N 2.92Å; F429-T489 PolarHBondContact O-OG1 3.02Å; W431-T489 HydrophobicContact CD2-CG2 4.31Å; W431-T489 HydrophobicContact CE3-CG2 3.64Å; W431-T489 HydrophobicContact CH2-CG2 3.62Å; W431-T489 HydrophobicContact CZ2-CG2 4.28Å; W431-T489 HydrophobicContact CZ3-CG2 3.26Å; T489-Y503 VanDerWaalsContact CB-OH 3.29Å; T489-Y503 WeakPolarHBondContact CB-OH 3.47Å; T489-Y503 PolarHBondContact OG1-OH 2.71Å; T489-W545 HydrophobicContact CG2-CE3 4.37Å; T489-W545 HydrophobicContact CG2-CZ3 4.47Å; T489-P546 VanDerWaalsContact O-CG 3.26Å; T489-P546 WeakPolarHBondContact O-CG 3.16Å; T489-F630 HydrophobicContact CG2-CE2 3.99Å
490	K	97.3	Very high	93.6	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.5	177	-170.6	62.2	-173.6	-167.1	0	111.3	Y428 F429 C492 D498 Y503 P546 D548 E552	Y428-K490 WeakPolarHBondContact CA-O 3.38Å; F429-K490 PolarHBondContact N-O 2.92Å; K490-C492 PolarHBondContact O-SG 3.02Å; K490-D498 WeakPolarHBondContact CE-O 3.26Å; K490-D498 PolarHBondContact NZ-O 3.39Å; K490-Y503 HydrophobicContact CB-CD1 3.7Å; K490-Y503 HydrophobicContact CB-CD2 3.96Å; K490-Y503 HydrophobicContact CB-CE1 3.82Å; K490-Y503 HydrophobicContact CB-CE2 4.07Å; K490-Y503 HydrophobicContact CB-CG 3.78Å; K490-Y503 HydrophobicContact CG-CD1 4.22Å; K490-Y503 HydrophobicContact CG-CD2 4.35Å; K490-Y503 HydrophobicContact CG-CG 3.98Å; K490-P546 HydrophobicContact CB-CG 3.79Å; K490-P546 HydrophobicContact CD-CB 3.96Å; K490-P546 HydrophobicContact CD-CG 3.9Å; K490-P546 HydrophobicContact CG-CG 4.33Å; K490-D548 IonicContact NZ-OD1 2.68Å; K490-D548 PolarHBondContact NZ-OD1 3.42Å; K490-D548 VanDerWaalsContact NZ-OD1 3.1Å; K490-D548 IonicContact NZ-OD2 3.25Å; K490-D548 PolarHBondContact NZ-OD2 3.38Å; K490-E552 IonicContact NZ-OE1 2.69Å; K490-E552 PolarHBondContact NZ-OE1 2.86Å
491	F	96.2	Very high	93.7	Very high	107 Å²	107	46.2 Å²	46.2	47%	0.469	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136	162.5	-176.5	-103.4	0	0	0	110.2	L427 D493 A497	L427-F491 HydrophobicContact CD1-CE2 3.66Å; L427-F491 HydrophobicContact CD1-CZ 4.02Å; L427-F491 HydrophobicContact CG-CE2 4Å; F491-D493 HydrophobicContact CE1-CB 3.72Å; F491-D493 HydrophobicContact CZ-CB 3.84Å; F491-A497 HydrophobicContact CD1-CB 4.33Å
492	C	96.5	Very high	94.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.			trans	-124.8	-25.3	-168.1	-70.4	0	0	0	0	114.3	P426 L427 K490 Y494 G495 K496 A497 A500	P426-C492 VanDerWaalsContact O-CB 3.26Å; P426-C492 WeakPolarHBondContact O-CB 3.38Å; L427-C492 WeakPolarHBondContact O-CA 3.33Å; L427-C492 PolarHBondContact O-N 2.84Å; K490-C492 PolarHBondContact O-SG 3.02Å; C492-Y494 VanDerWaalsContact C-N 3.26Å; C492-Y494 PolarHBondContact O-N 2.84Å; C492-G495 WeakPolarHBondContact O-CA 3.46Å; C492-G495 PolarHBondContact O-N 2.95Å; C492-K496 PolarHBondContact O-N 2.93Å; C492-A497 WeakPolarHBondContact O-CB 3.41Å; C492-A497 PolarHBondContact O-N 3.29Å; C492-A497 VanDerWaalsContact O-N 3.12Å; C492-A500 HydrophobicContact CB-CB 3.85Å
493	D	95.7	Very high	95	Very high	43 Å²	43	43 Å²	43	23%	0.23	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	38.3	55.4	-170.2	-169.6	4.8	0	0	0	112.3	L427 F491 G495 K496	L427-D493 PolarHBondContact O-N 2.77Å; L427-D493 VanDerWaalsContact O-N 3.13Å; F491-D493 HydrophobicContact CE1-CB 3.72Å; F491-D493 HydrophobicContact CZ-CB 3.84Å; D493-G495 PolarHBondContact O-N 3.18Å; D493-K496 HydrophobicContact CB-CB 4.35Å; D493-K496 HydrophobicContact CB-CD 4.17Å; D493-K496 WeakPolarHBondContact O-CD 3.45Å; D493-K496 WeakPolarHBondContact O-CG 3.49Å; D493-K496 PolarHBondContact O-N 3.03Å; D493-K496 IonicContact OD1-NZ 2.83Å; D493-K496 PolarHBondContact OD1-NZ 3.25Å; D493-K496 WeakPolarHBondContact OD2-CD 3.47Å; D493-K496 IonicContact OD2-NZ 3.21Å; D493-K496 PolarHBondContact OD2-NZ 3.15Å
494	Y	95.4	Very high	95.6	Very high	25 Å²	25	41.6 Å²	41.6	10%	0.098	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	56	23.7	178.6	-45.8	-69.3	0	0	0	114.6	H367 P426 L427 C492 Y634 G635 K637	H367-Y494 AromaticContact CE1-CD1 3.2Å; H367-Y494 WeakPolarHBondContact CE1-CD1 3.27Å; H367-Y494 AromaticContact CE1-CE1 2.41Å; H367-Y494 WeakPolarHBondContact CE1-CE1 3.29Å; H367-Y494 AromaticContact CE1-CE2 3.71Å; H367-Y494 AromaticContact CE1-CZ 2.73Å; H367-Y494 PolarHBondContact CE1-OH 3.17Å; H367-Y494 AromaticContact ND1-CE1 3.98Å; P426-Y494 VanDerWaalsContact O-CA 3.32Å; P426-Y494 WeakPolarHBondContact O-CA 3.42Å; P426-Y494 PolarHBondContact O-N 2.9Å; L427-Y494 HydrophobicContact CB-CE1 3.79Å; L427-Y494 HydrophobicContact CD1-CD2 4.49Å; L427-Y494 HydrophobicContact CD1-CE2 3.77Å; C492-Y494 VanDerWaalsContact C-N 3.26Å; C492-Y494 PolarHBondContact O-N 2.84Å; Y494-Y634 HydrophobicContact CE1-CD1 4.37Å; Y494-G635 PolarHBondContact OH-O 3.3Å; Y494-G635 VanDerWaalsContact OH-O 3.12Å; Y494-K637 HydrophobicContact CD2-CD 4.26Å; Y494-K637 HydrophobicContact CD2-CG 3.9Å; Y494-K637 HydrophobicContact CE2-CD 4.3Å; Y494-K637 HydrophobicContact CE2-CG 3.49Å; Y494-K637 VanDerWaalsContact CE2-CG 3.49Å; Y494-K637 VanDerWaalsContact CG-CE 3.47Å
495	G	94.6	Very high	95.9	Very high	36 Å²	36	46.5 Å²	46.5	37%	0.371	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	100.8	4	-179.4	0	0	0	0	0	115.9	L425 C492 D493	L425-G495 VanDerWaalsContact CD1-CA 3.45Å; C492-G495 WeakPolarHBondContact O-CA 3.46Å; C492-G495 PolarHBondContact O-N 2.95Å; D493-G495 PolarHBondContact O-N 3.18Å
496	K	94.5	Very high	95.9	Very high	149 Å²	149	47.9 Å²	47.9	65%	0.648	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-26.5	173.1	-57.3	152.4	179.3	166.2	0	113.1	C492 D493	C492-K496 PolarHBondContact O-N 2.93Å; D493-K496 HydrophobicContact CB-CB 4.35Å; D493-K496 HydrophobicContact CB-CD 4.17Å; D493-K496 WeakPolarHBondContact O-CD 3.45Å; D493-K496 WeakPolarHBondContact O-CG 3.49Å; D493-K496 PolarHBondContact O-N 3.03Å; D493-K496 IonicContact OD1-NZ 2.83Å; D493-K496 PolarHBondContact OD1-NZ 3.25Å; D493-K496 WeakPolarHBondContact OD2-CD 3.47Å; D493-K496 IonicContact OD2-NZ 3.21Å; D493-K496 PolarHBondContact OD2-NZ 3.15Å
497	A	93.3	Very high	95.8	Very high	28 Å²	28	50.9 Å²	50.9	23%	0.231	28%	0.278	C	S	.	.	S	Bend	trans	-74.8	140.9	-177.9	0	0	0	0	0	111.5	F491 C492 A500	F491-A497 HydrophobicContact CD1-CB 4.33Å; C492-A497 WeakPolarHBondContact O-CB 3.41Å; C492-A497 PolarHBondContact O-N 3.29Å; C492-A497 VanDerWaalsContact O-N 3.12Å; A497-A500 WeakPolarHBondContact O-CB 3.11Å; A497-A500 PolarHBondContact O-N 3.09Å
498	D	92.8	Very high	95.7	Very high	143 Å²	143	53.3 Å²	53.3	77%	0.765	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	140	179.3	-77.2	-38.7	0	0	0	111.7	K490 A500	K490-D498 WeakPolarHBondContact CE-O 3.26Å; K490-D498 PolarHBondContact NZ-O 3.39Å; D498-A500 PolarHBondContact O-N 2.7Å; D498-A500 VanDerWaalsContact O-N 3.17Å
499	G	93.7	Very high	95.6	Very high	19 Å²	19	51.6 Å²	51.6	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-8.2	-179	0	0	0	0	0	115.7	S501 E502 Y503	G499-S501 VanDerWaalsContact C-N 3.3Å; G499-S501 PolarHBondContact O-N 2.82Å; G499-E502 WeakPolarHBondContact CA-OE2 3.45Å; G499-E502 PolarHBondContact O-N 2.85Å; G499-Y503 WeakPolarHBondContact O-CB 3.45Å; G499-Y503 PolarHBondContact O-N 3.31Å
500	A	95.4	Very high	95.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-39	-178.2	0	0	0	0	0	113.1	C492 A497 D498 A504	C492-A500 HydrophobicContact CB-CB 3.85Å; A497-A500 WeakPolarHBondContact O-CB 3.11Å; A497-A500 PolarHBondContact O-N 3.09Å; D498-A500 PolarHBondContact O-N 2.7Å; D498-A500 VanDerWaalsContact O-N 3.17Å; A500-A504 WeakPolarHBondContact O-CB 3.47Å; A500-A504 PolarHBondContact O-N 3.06Å; A500-A504 VanDerWaalsContact O-N 3.09Å
501	S	94.9	Very high	95.4	Very high	42 Å²	42	64.2 Å²	64.2	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-71.4	-35.4	-179.6	-145	0	0	0	0	111.8	G499 K505	G499-S501 VanDerWaalsContact C-N 3.3Å; G499-S501 PolarHBondContact O-N 2.82Å; S501-K505 WeakPolarHBondContact O-CB 3.48Å; S501-K505 WeakPolarHBondContact O-CD 3.29Å; S501-K505 WeakPolarHBondContact O-CE 3.47Å; S501-K505 WeakPolarHBondContact O-CG 3.23Å; S501-K505 PolarHBondContact O-N 3.48Å; S501-K505 WeakPolarHBondContact OG-CE 3.33Å; S501-K505 PolarHBondContact OG-NZ 2.68Å
502	E	95.9	Very high	95.4	Very high	120 Å²	120	60.3 Å²	60.3	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-72.8	-45.6	178.9	-69	54.3	-123.6	0	0	109.9	G499 K505 N506	G499-E502 WeakPolarHBondContact CA-OE2 3.45Å; G499-E502 PolarHBondContact O-N 2.85Å; E502-K505 PolarHBondContact O-N 3.21Å; E502-K505 VanDerWaalsContact O-N 3.17Å; E502-N506 PolarHBondContact O-N 2.89Å; E502-N506 VanDerWaalsContact O-N 3.11Å
503	Y	97.1	Very high	95.5	Very high	17 Å²	17	61.9 Å²	61.9	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-58.2	-53.8	176.4	-175.5	-93.3	0	0	0	111.6	F429 T489 K490 G499 K505 N506 V509 L544 P546 F630	F429-Y503 HydrophobicContact CB-CE1 3.81Å; F429-Y503 HydrophobicContact CD1-CE1 4.49Å; F429-Y503 AromaticContact CD2-CD1 3.79Å; F429-Y503 HydrophobicContact CD2-CD1 3.79Å; F429-Y503 AromaticContact CD2-CE1 3.73Å; F429-Y503 HydrophobicContact CD2-CE1 3.73Å; F429-Y503 HydrophobicContact CE2-CD1 4.15Å; F429-Y503 HydrophobicContact CE2-CE1 4.41Å; F429-Y503 HydrophobicContact CG-CD1 4.31Å; F429-Y503 AromaticContact CG-CE1 3.77Å; F429-Y503 HydrophobicContact CG-CE1 3.77Å; T489-Y503 VanDerWaalsContact CB-OH 3.29Å; T489-Y503 WeakPolarHBondContact CB-OH 3.47Å; T489-Y503 PolarHBondContact OG1-OH 2.71Å; K490-Y503 HydrophobicContact CB-CD1 3.7Å; K490-Y503 HydrophobicContact CB-CD2 3.96Å; K490-Y503 HydrophobicContact CB-CE1 3.82Å; K490-Y503 HydrophobicContact CB-CE2 4.07Å; K490-Y503 HydrophobicContact CB-CG 3.78Å; K490-Y503 HydrophobicContact CG-CD1 4.22Å; K490-Y503 HydrophobicContact CG-CD2 4.35Å; K490-Y503 HydrophobicContact CG-CG 3.98Å; G499-Y503 WeakPolarHBondContact O-CB 3.45Å; G499-Y503 PolarHBondContact O-N 3.31Å; Y503-K505 PolarHBondContact O-N 3.13Å; Y503-N506 WeakPolarHBondContact O-CB 3.47Å; Y503-N506 PolarHBondContact O-N 3.04Å; Y503-N506 VanDerWaalsContact O-N 3.09Å; Y503-V509 HydrophobicContact CD1-CG1 4.2Å; Y503-V509 HydrophobicContact CD1-CG2 4.29Å; Y503-V509 HydrophobicContact CD2-CG2 4.28Å; Y503-V509 HydrophobicContact CE1-CG1 3.82Å; Y503-V509 HydrophobicContact CE1-CG2 3.89Å; Y503-V509 HydrophobicContact CE2-CG2 3.88Å; Y503-V509 HydrophobicContact CG-CG2 4.46Å; Y503-L544 VanDerWaalsContact CE2-O 3.27Å; Y503-L544 WeakPolarHBondContact CE2-O 3.47Å; Y503-L544 PolarHBondContact OH-O 3.49Å; Y503-P546 HydrophobicContact CD2-CB 4.25Å; Y503-P546 HydrophobicContact CD2-CG 4.18Å; Y503-P546 HydrophobicContact CE2-CB 4.39Å; Y503-P546 HydrophobicContact CE2-CG 3.93Å; Y503-F630 HydrophobicContact CE1-CZ 4.49Å; Y503-F630 WeakPolarHBondContact OH-CZ 3.44Å
504	A	96.4	Very high	95.6	Very high	17 Å²	17	59.9 Å²	59.9	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-66.1	-18.8	178.1	0	0	0	0	0	113.7	L425 F429 A500 K510	L425-A504 HydrophobicContact CD2-CB 3.26Å; F429-A504 HydrophobicContact CE2-CB 3.94Å; F429-A504 HydrophobicContact CZ-CB 3.88Å; A500-A504 WeakPolarHBondContact O-CB 3.47Å; A500-A504 PolarHBondContact O-N 3.06Å; A500-A504 VanDerWaalsContact O-N 3.09Å; A504-K510 VanDerWaalsContact O-CE 3.25Å; A504-K510 WeakPolarHBondContact O-CE 3.44Å
505	K	95.7	Very high	95.7	Very high	113 Å²	113	59.1 Å²	59.1	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-83.8	-21.2	174.3	-76.1	166	-152.8	152.6	0	113.4	S501 E502 Y503 K510	S501-K505 WeakPolarHBondContact O-CB 3.48Å; S501-K505 WeakPolarHBondContact O-CD 3.29Å; S501-K505 WeakPolarHBondContact O-CE 3.47Å; S501-K505 WeakPolarHBondContact O-CG 3.23Å; S501-K505 PolarHBondContact O-N 3.48Å; S501-K505 WeakPolarHBondContact OG-CE 3.33Å; S501-K505 PolarHBondContact OG-NZ 2.68Å; E502-K505 PolarHBondContact O-N 3.21Å; E502-K505 VanDerWaalsContact O-N 3.17Å; Y503-K505 PolarHBondContact O-N 3.13Å; K505-K510 PolarHBondContact O-NZ 3.27Å
506	N	96.5	Very high	95.8	Very high	52 Å²	52	58.9 Å²	58.9	28%	0.278	31%	0.307	S	S	.	.			trans	-52	125.3	-178	-179.9	-9.5	0	0	0	111.2	E502 Y503 V508 V509 K510	E502-N506 PolarHBondContact O-N 2.89Å; E502-N506 VanDerWaalsContact O-N 3.11Å; Y503-N506 WeakPolarHBondContact O-CB 3.47Å; Y503-N506 PolarHBondContact O-N 3.04Å; Y503-N506 VanDerWaalsContact O-N 3.09Å; N506-V508 PolarHBondContact O-N 3.04Å; N506-V508 PolarHBondContact OD1-N 3.33Å; N506-V509 HydrophobicContact CB-CB 4.07Å; N506-V509 HydrophobicContact CB-CG2 3.87Å; N506-V509 PolarHBondContact O-N 2.8Å; N506-K510 PolarHBondContact O-N 3.03Å
507	P	95.9	Very high	95.9	Very high	103 Å²	103	53.5 Å²	53.5	67%	0.669	28%	0.284	S	S	*	.	H	α-helix	trans	-56	-32	177.7	-27.2	35.8	0	0	0	114.4	K511	P507-K511 WeakPolarHBondContact O-CB 3.39Å; P507-K511 PolarHBondContact O-N 3.11Å
508	V	96.4	Very high	96.1	Very high	51 Å²	51	58 Å²	58	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-70.3	-48.8	177.9	-171.5	0	0	0	0	110.5	N506 K510 K511 C512 K543 L544	N506-V508 PolarHBondContact O-N 3.04Å; N506-V508 PolarHBondContact OD1-N 3.33Å; V508-K510 VanDerWaalsContact C-N 3.29Å; V508-K510 PolarHBondContact O-N 2.68Å; V508-K511 PolarHBondContact O-N 3.09Å; V508-C512 WeakPolarHBondContact O-CB 3.4Å; V508-C512 PolarHBondContact O-N 3.48Å; V508-C512 PolarHBondContact O-SG 3.09Å; V508-C512 VanDerWaalsContact O-SG 3.36Å; V508-K543 HydrophobicContact CG1-CB 3.98Å; V508-L544 HydrophobicContact CB-CD2 4.48Å; V508-L544 HydrophobicContact CG1-CD2 3.88Å; V508-L544 HydrophobicContact CG1-CG 4.46Å
509	V	96.9	Very high	96.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-44.9	176.4	173.4	0	0	0	0	110.8	F429 Y503 N506 Y513 L544 F630	F429-V509 HydrophobicContact CE1-CG1 4.49Å; Y503-V509 HydrophobicContact CD1-CG1 4.2Å; Y503-V509 HydrophobicContact CD1-CG2 4.29Å; Y503-V509 HydrophobicContact CD2-CG2 4.28Å; Y503-V509 HydrophobicContact CE1-CG1 3.82Å; Y503-V509 HydrophobicContact CE1-CG2 3.89Å; Y503-V509 HydrophobicContact CE2-CG2 3.88Å; Y503-V509 HydrophobicContact CG-CG2 4.46Å; N506-V509 HydrophobicContact CB-CB 4.07Å; N506-V509 HydrophobicContact CB-CG2 3.87Å; N506-V509 PolarHBondContact O-N 2.8Å; V509-Y513 WeakPolarHBondContact O-CB 3.38Å; V509-Y513 PolarHBondContact O-N 3.18Å; V509-Y513 VanDerWaalsContact O-N 3.14Å; V509-L544 HydrophobicContact CB-CD2 4.3Å; V509-L544 HydrophobicContact CG2-CD2 3.84Å; V509-F630 HydrophobicContact CG1-CE1 4.03Å; V509-F630 HydrophobicContact CG1-CZ 4.17Å
510	K	95.1	Very high	96.6	Very high	128 Å²	128	52 Å²	52	56%	0.557	27%	0.266	S	S	*	.	H	α-helix	trans	-64	-45.3	176.3	-74.9	173.3	174.5	159.2	0	113.5	A504 K505 N506 V508 Y513	A504-K510 VanDerWaalsContact O-CE 3.25Å; A504-K510 WeakPolarHBondContact O-CE 3.44Å; K505-K510 PolarHBondContact O-NZ 3.27Å; N506-K510 PolarHBondContact O-N 3.03Å; V508-K510 VanDerWaalsContact C-N 3.29Å; V508-K510 PolarHBondContact O-N 2.68Å; K510-Y513 PolarHBondContact O-N 2.88Å
511	K	94.8	Very high	96.8	Very high	151 Å²	151	51.9 Å²	51.9	66%	0.657	27%	0.265	S	S	*	.	H	α-helix	trans	-66.8	-39.7	-178.9	-171.8	-172.6	175.2	-166.6	0	111.7	P507 V508 Y513	P507-K511 WeakPolarHBondContact O-CB 3.39Å; P507-K511 PolarHBondContact O-N 3.11Å; V508-K511 PolarHBondContact O-N 3.09Å; K511-Y513 VanDerWaalsContact C-N 3.33Å
512	C	96.6	Very high	96.9	Very high	25 Å²	25	51.6 Å²	51.6	17%	0.169	26%	0.262	C	S	.	.	H	α-helix	trans	-83.3	-6.2	-177.6	-62	0	0	0	0	113.7	V508 G514 S515 F517 L544 F630	V508-C512 WeakPolarHBondContact O-CB 3.4Å; V508-C512 PolarHBondContact O-N 3.48Å; V508-C512 PolarHBondContact O-SG 3.09Å; V508-C512 VanDerWaalsContact O-SG 3.36Å; C512-G514 PolarHBondContact O-N 2.87Å; C512-S515 WeakPolarHBondContact CA-OG 3.42Å; C512-S515 WeakPolarHBondContact O-CB 3.48Å; C512-S515 PolarHBondContact O-N 3.02Å; C512-S515 PolarHBondContact O-OG 3.12Å; C512-F517 HydrophobicContact CB-CE2 4.21Å; C512-F517 HydrophobicContact CB-CZ 3.94Å; C512-L544 HydrophobicContact CB-CD1 3.86Å; C512-L544 HydrophobicContact CB-CD2 3.99Å; C512-L544 HydrophobicContact CB-CG 4.48Å; C512-F630 HydrophobicContact CB-CD1 4.23Å
513	Y	97.7	Very high	97.1	Very high	34 Å²	34	46.1 Å²	46.1	13%	0.133	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	127.1	-180	-167.9	-88.4	0	0	0	111.1	I385 F386 L387 F429 V509 K510 K511 S515 S631 S632	I385-Y513 HydrophobicContact CG2-CE1 3.96Å; F386-Y513 PolarHBondContact N-OH 2.77Å; F386-Y513 VanDerWaalsContact O-CE1 3.23Å; F386-Y513 WeakPolarHBondContact O-CE1 3.46Å; F386-Y513 PolarHBondContact O-OH 3.1Å; L387-Y513 HydrophobicContact CD2-CD1 4.2Å; L387-Y513 HydrophobicContact CD2-CE1 4.12Å; F429-Y513 HydrophobicContact CD1-CD2 4.16Å; F429-Y513 AromaticContact CD1-CE2 3.99Å; F429-Y513 HydrophobicContact CD1-CE2 3.99Å; F429-Y513 AromaticContact CE1-CD2 3.96Å; F429-Y513 HydrophobicContact CE1-CD2 3.96Å; F429-Y513 AromaticContact CE1-CE2 3.79Å; F429-Y513 HydrophobicContact CE1-CE2 3.79Å; V509-Y513 WeakPolarHBondContact O-CB 3.38Å; V509-Y513 PolarHBondContact O-N 3.18Å; V509-Y513 VanDerWaalsContact O-N 3.14Å; K510-Y513 PolarHBondContact O-N 2.88Å; K511-Y513 VanDerWaalsContact C-N 3.33Å; Y513-S515 VanDerWaalsContact C-N 3.29Å; Y513-S631 PolarHBondContact OH-OG 3.27Å; Y513-S632 PolarHBondContact OH-N 3.29Å; Y513-S632 PolarHBondContact OH-OG 3.13Å
514	G	97.2	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	10.2	-170	0	0	0	0	0	114.6	T281 C512 F630	T281-G514 VanDerWaalsContact CG2-O 3.25Å; T281-G514 WeakPolarHBondContact CG2-O 3.05Å; C512-G514 PolarHBondContact O-N 2.87Å; G514-F630 WeakPolarHBondContact CA-O 3.47Å; G514-F630 PolarHBondContact N-O 2.8Å
515	S	97.4	Very high	97.2	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.07	23%	0.228	C	C	.	.			trans	-86.1	148.3	170.8	-54.4	0	0	0	0	111.3	A274 C512 Y513 F630	A274-S515 WeakPolarHBondContact CB-OG 3.43Å; C512-S515 WeakPolarHBondContact CA-OG 3.42Å; C512-S515 WeakPolarHBondContact O-CB 3.48Å; C512-S515 PolarHBondContact O-N 3.02Å; C512-S515 PolarHBondContact O-OG 3.12Å; Y513-S515 VanDerWaalsContact C-N 3.29Å; S515-F630 PolarHBondContact O-N 2.88Å
516	V	97.2	Very high	97.3	Very high	31 Å²	31	39.2 Å²	39.2	19%	0.188	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.4	171.2	174.2	0	0	0	0	111.3	T281 A284 F434 A628	T281-V516 HydrophobicContact CG2-CG2 4.24Å; T281-V516 PolarHBondContact OG1-N 3.36Å; T281-V516 VanDerWaalsContact OG1-N 3.11Å; A284-V516 HydrophobicContact CB-CB 4.16Å; A284-V516 HydrophobicContact CB-CG1 3.86Å; A284-V516 HydrophobicContact CB-CG2 3.82Å; F434-V516 HydrophobicContact CE2-CG1 3.91Å; F434-V516 HydrophobicContact CE2-CG2 3.73Å; F434-V516 HydrophobicContact CZ-CG2 3.53Å; V516-A628 WeakPolarHBondContact CA-O 3.34Å
517	F	97.8	Very high	97.3	Very high	36 Å²	36	36.7 Å²	36.7	16%	0.158	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.7	175.5	-67.8	-92	0	0	0	109.7	W431 C512 Q541 L544 A628 F630	W431-F517 AromaticContact CD1-CD2 3.62Å; W431-F517 AromaticContact NE1-CD2 3.27Å; W431-F517 VanDerWaalsContact NE1-CD2 3.27Å; W431-F517 AromaticContact NE1-CE2 3.78Å; W431-F517 AromaticContact NE1-CG 3.56Å; C512-F517 HydrophobicContact CB-CE2 4.21Å; C512-F517 HydrophobicContact CB-CZ 3.94Å; F517-Q541 HydrophobicContact CD1-CG 3.9Å; F517-Q541 HydrophobicContact CE1-CG 4.42Å; F517-L544 HydrophobicContact CE1-CD1 4.38Å; F517-L544 HydrophobicContact CE2-CD1 3.97Å; F517-L544 HydrophobicContact CZ-CD1 3.68Å; F517-A628 PolarHBondContact N-O 3.03Å; F517-A628 PolarHBondContact O-N 2.97Å; F517-F630 HydrophobicContact CD2-CB 3.9Å; F517-F630 HydrophobicContact CE2-CB 3.69Å; F517-F630 HydrophobicContact CE2-CG 4.46Å
518	E	97.6	Very high	97.3	Very high	121 Å²	121	33.1 Å²	33.1	57%	0.565	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98	119.1	166.1	-173.7	170.3	91.4	0	0	109.7	Q541 C625	E518-Q541 PolarHBondContact O-NE2 3.01Å; E518-C625 VanDerWaalsContact CD-CB 3.48Å; E518-C625 HydrophobicContact CG-CB 3.91Å; E518-C625 PolarHBondContact OE1-SG 2.84Å
519	L	98.4	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.8	174	-57.5	-178.9	0	0	0	110	W431 L433 C487 L521 V535 L537 I571 A626 A628	W431-L519 HydrophobicContact CB-CD1 3.9Å; W431-L519 HydrophobicContact CB-CD2 4.31Å; W431-L519 HydrophobicContact CB-CG 4.46Å; W431-L519 HydrophobicContact CD2-CD2 3.97Å; W431-L519 HydrophobicContact CE3-CD2 4.18Å; W431-L519 HydrophobicContact CG-CD2 4.04Å; L433-L519 HydrophobicContact CD1-CD1 4.14Å; C487-L519 HydrophobicContact CB-CD1 3.9Å; L519-L521 HydrophobicContact CB-CD1 3.99Å; L519-V535 HydrophobicContact CB-CG1 4.08Å; L519-V535 HydrophobicContact CD2-CG1 4.26Å; L519-L537 HydrophobicContact CD2-CD2 4.42Å; L519-I571 HydrophobicContact CD1-CD1 4.45Å; L519-A626 HydrophobicContact CB-CB 4.36Å; L519-A626 PolarHBondContact N-O 3.02Å; L519-A626 PolarHBondContact O-N 3.42Å; L519-A628 HydrophobicContact CD1-CB 4.1Å; L519-A628 HydrophobicContact CG-CB 4.28Å
520	S	98.4	Very high	97.3	Very high	36 Å²	36	34.6 Å²	34.6	25%	0.252	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	101.2	176	-178	0	0	0	0	110.3	T522 V535 C536 P623	S520-T522 PolarHBondContact O-N 3.47Å; S520-V535 CarbonylContact O-C 3.49Å; S520-V535 WeakPolarHBondContact O-CA 3.39Å; S520-C536 PolarHBondContact O-N 3.48Å; S520-P623 WeakPolarHBondContact OG-CB 3.41Å
521	L	98.5	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.5	175.8	-77	57.6	0	0	0	108.4	V441 L519 A533 R534 V535 I571 P623 I624 A626	V441-L521 HydrophobicContact CG1-CD2 4.03Å; V441-L521 HydrophobicContact CG2-CD2 3.78Å; L519-L521 HydrophobicContact CB-CD1 3.99Å; L521-A533 HydrophobicContact CD2-CB 3.81Å; L521-A533 HydrophobicContact CG-CB 3.97Å; L521-R534 CarbonylContact C-O 3.55Å; L521-R534 WeakPolarHBondContact CA-O 3.29Å; L521-V535 HydrophobicContact CD1-CG2 4.22Å; L521-V535 HydrophobicContact CG-CG2 4.49Å; L521-I571 HydrophobicContact CD1-CD1 3.79Å; L521-I571 HydrophobicContact CD2-CD1 3.94Å; L521-I571 HydrophobicContact CG-CD1 4.01Å; L521-P623 CarbonylContact O-C 3.59Å; L521-P623 WeakPolarHBondContact O-CA 3.37Å; L521-P623 WeakPolarHBondContact O-CB 3.35Å; L521-I624 HydrophobicContact CB-CB 4.1Å; L521-I624 PolarHBondContact N-O 3.34Å; L521-I624 PolarHBondContact O-N 2.99Å; L521-A626 HydrophobicContact CD1-CB 3.61Å
522	T	98.4	Very high	97.6	Very high	36 Å²	36	21.4 Å²	21.4	22%	0.221	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-16.5	-168.3	52.5	0	0	0	0	114.6	S520 R534 C536 L620 P623	S520-T522 PolarHBondContact O-N 3.47Å; T522-R534 PolarHBondContact N-O 3.49Å; T522-R534 PolarHBondContact OG1-O 2.88Å; T522-C536 HydrophobicContact CG2-CB 3.59Å; T522-L620 PolarHBondContact O-N 3.02Å; T522-P623 HydrophobicContact CG2-CB 4.27Å; T522-P623 HydrophobicContact CG2-CG 4.27Å
523	A	98.3	Very high	97.7	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.033	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.8	174.6	0	0	0	0	0	110.6	A533 R534 M617 L618	A523-A533 CarbonylContact O-C 3.51Å; A523-A533 WeakPolarHBondContact O-CA 3.49Å; A523-R534 HydrophobicContact CB-CB 4.08Å; A523-R534 PolarHBondContact O-N 3.21Å; A523-M617 HydrophobicContact CB-CG 3.79Å; A523-M617 HydrophobicContact CB-SD 3.98Å; A523-L618 CarbonylContact C-O 3.51Å; A523-L618 WeakPolarHBondContact CA-O 3.29Å; A523-L618 WeakPolarHBondContact CB-O 3.47Å
524	L	98.5	Very high	97.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.3	160.2	-58.2	-179.5	0	0	0	108.5	T444 F448 A533 L573 M617 L618	T444-L524 HydrophobicContact CG2-CD1 4.33Å; F448-L524 HydrophobicContact CB-CD1 3.87Å; F448-L524 HydrophobicContact CD1-CB 3.58Å; F448-L524 HydrophobicContact CD1-CD1 3.71Å; F448-L524 HydrophobicContact CD1-CG 4.3Å; F448-L524 HydrophobicContact CE1-CB 3.6Å; F448-L524 HydrophobicContact CG-CB 4.45Å; F448-L524 HydrophobicContact CG-CD1 4.01Å; L524-A533 HydrophobicContact CD2-CB 3.8Å; L524-L573 HydrophobicContact CD2-CD1 4.02Å; L524-M617 CarbonylContact O-C 3.54Å; L524-M617 WeakPolarHBondContact O-CA 3.46Å; L524-L618 PolarHBondContact N-O 2.98Å; L524-L618 PolarHBondContact O-N 2.88Å
525	F	98.3	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.7	177.4	68.2	-90.9	0	0	0	112.3	V531 G532 T584 D587 L588 I591 W616 M617	F525-V531 WeakPolarHBondContact O-CA 3.22Å; F525-G532 WeakPolarHBondContact CD1-O 2.99Å; F525-G532 PolarHBondContact N-O 2.9Å; F525-G532 PolarHBondContact O-N 3.21Å; F525-T584 HydrophobicContact CE2-CG2 3.92Å; F525-T584 HydrophobicContact CZ-CG2 3.61Å; F525-T584 WeakPolarHBondContact CZ-O 3.08Å; F525-D587 HydrophobicContact CE2-CB 4.32Å; F525-L588 HydrophobicContact CD1-CD1 4.13Å; F525-L588 HydrophobicContact CE1-CB 4.01Å; F525-L588 HydrophobicContact CE1-CD1 3.91Å; F525-L588 HydrophobicContact CE1-CD2 4.31Å; F525-L588 HydrophobicContact CE1-CG 4.29Å; F525-L588 HydrophobicContact CE2-CB 4.27Å; F525-L588 HydrophobicContact CZ-CB 3.68Å; F525-L588 HydrophobicContact CZ-CD1 4.42Å; F525-L588 HydrophobicContact CZ-CG 4.46Å; F525-I591 HydrophobicContact CB-CD1 4.04Å; F525-I591 HydrophobicContact CD2-CD1 3.88Å; F525-I591 HydrophobicContact CG-CD1 4.18Å; F525-W616 CarbonylContact C-O 3.57Å; F525-W616 WeakPolarHBondContact CA-O 3.31Å; F525-W616 VanDerWaalsContact CB-O 3.27Å; F525-W616 WeakPolarHBondContact CB-O 3.26Å; F525-M617 HydrophobicContact CB-CB 4.23Å; F525-M617 HydrophobicContact CB-CE 4Å; F525-M617 HydrophobicContact CB-CG 4.26Å; F525-M617 HydrophobicContact CD1-CE 4.33Å; F525-M617 HydrophobicContact CG-CE 4.35Å
526	V	97.4	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.3	179.9	-170.9	0	0	0	0	108.3	F448 L449 L452 F465 F479 V531 R615 W616	F448-V526 HydrophobicContact CE1-CG2 3.62Å; F448-V526 HydrophobicContact CZ-CG2 3.98Å; L449-V526 HydrophobicContact CD2-CG1 4.42Å; L449-V526 HydrophobicContact CD2-CG2 3.76Å; L452-V526 HydrophobicContact CD2-CB 4.3Å; L452-V526 HydrophobicContact CD2-CG2 3.86Å; F465-V526 HydrophobicContact CE2-CG1 3.78Å; F465-V526 HydrophobicContact CZ-CG1 3.75Å; F479-V526 HydrophobicContact CE2-CG1 3.83Å; F479-V526 HydrophobicContact CZ-CG1 3.71Å; V526-V531 HydrophobicContact CG1-CG2 4.21Å; V526-V531 HydrophobicContact CG2-CG1 4.42Å; V526-V531 HydrophobicContact CG2-CG2 4.42Å; V526-R615 WeakPolarHBondContact O-CA 3.42Å; V526-W616 HydrophobicContact CB-CB 4.4Å; V526-W616 PolarHBondContact N-O 3.13Å; V526-W616 PolarHBondContact O-N 3.26Å
527	T	96.9	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.			trans	-129.3	172.4	166.7	76.4	0	0	0	0	109	F479 R529 T530 D587 I591 R615	F479-T527 WeakPolarHBondContact CZ-O 3.4Å; T527-R529 PolarHBondContact O-N 2.8Å; T527-R529 PolarHBondContact OG1-N 3.24Å; T527-T530 PolarHBondContact N-O 3.47Å; T527-T530 PolarHBondContact OG1-N 3.41Å; T527-D587 WeakPolarHBondContact CB-OD2 3.19Å; T527-D587 HydrophobicContact CG2-CB 3.76Å; T527-D587 WeakPolarHBondContact CG2-OD2 3.21Å; T527-D587 PolarHBondContact OG1-OD2 3.35Å; T527-I591 HydrophobicContact CG2-CD1 4.21Å; T527-R615 HydrophobicContact CG2-CG 4.05Å
528	P	95.4	Very high	97.9	Very high	28 Å²	28	26.2 Å²	26.2	18%	0.182	14%	0.138	C	C	.	.	S	Bend	trans	-63	2.7	169.5	-23.8	37	0	0	0	114.8	F465 Y478	F465-P528 HydrophobicContact CD2-CG 4.07Å; F465-P528 HydrophobicContact CE2-CG 4.37Å; Y478-P528 PolarHBondContact OH-O 2.59Å; Y478-P528 VanDerWaalsContact OH-O 3.08Å
529	R	96.1	Very high	97.9	Very high	84 Å²	84	26.8 Å²	26.8	32%	0.317	14%	0.144	S	C	.	.	S	Bend	trans	-123.7	-37.6	-177.7	-65.3	-177.9	-65.9	-93.1	4.7	112.8	T527 A576 V579 Q583 D587	T527-R529 PolarHBondContact O-N 2.8Å; T527-R529 PolarHBondContact OG1-N 3.24Å; R529-A576 WeakPolarHBondContact O-CB 3.29Å; R529-A576 PolarHBondContact O-N 3.07Å; R529-V579 HydrophobicContact CB-CG1 4.19Å; R529-V579 HydrophobicContact CB-CG2 4.33Å; R529-Q583 HydrophobicContact CB-CG 4.25Å; R529-D587 IonicContact CZ-OD1 3.93Å; R529-D587 VanDerWaalsContact CZ-OD1 3.3Å; R529-D587 IonicContact NE-OD1 3.79Å; R529-D587 PolarHBondContact NE-OD1 2.81Å; R529-D587 IonicContact NE-OD2 3.1Å; R529-D587 IonicContact NH2-OD1 2.76Å; R529-D587 PolarHBondContact NH2-OD1 3.3Å; R529-D587 IonicContact NH2-OD2 2.8Å
530	T	97.4	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.8	-170.3	66.5	0	0	0	0	113.7	T527 G574 V579 Q583 T584 D587	T527-T530 PolarHBondContact N-O 3.47Å; T527-T530 PolarHBondContact OG1-N 3.41Å; T530-G574 WeakPolarHBondContact CA-O 3.4Å; T530-V579 HydrophobicContact CG2-CG1 4Å; T530-Q583 HydrophobicContact CG2-CB 4.06Å; T530-Q583 HydrophobicContact CG2-CG 4.18Å; T530-T584 WeakPolarHBondContact CB-OG1 3.31Å; T530-T584 WeakPolarHBondContact CG2-OG1 3.34Å; T530-D587 PolarHBondContact OG1-OD2 2.78Å
531	V	97.9	Very high	97.7	Very high	2 Å²	2	31 Å²	31	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.5	163.2	-173.9	0	0	0	0	107.9	L449 F479 F525 V526 L573 G574	L449-V531 HydrophobicContact CD1-CG2 4.27Å; L449-V531 HydrophobicContact CD2-CG1 4.36Å; L449-V531 HydrophobicContact CD2-CG2 3.89Å; F479-V531 HydrophobicContact CB-CG2 4.26Å; F479-V531 HydrophobicContact CD1-CG2 3.74Å; F479-V531 HydrophobicContact CD2-CG2 3.29Å; F479-V531 HydrophobicContact CE1-CG2 3.78Å; F479-V531 HydrophobicContact CE2-CG2 3.32Å; F479-V531 HydrophobicContact CG-CG2 3.49Å; F479-V531 VanDerWaalsContact CG-CG2 3.49Å; F479-V531 HydrophobicContact CZ-CG2 3.57Å; F525-V531 WeakPolarHBondContact O-CA 3.22Å; V526-V531 HydrophobicContact CG1-CG2 4.21Å; V526-V531 HydrophobicContact CG2-CG1 4.42Å; V526-V531 HydrophobicContact CG2-CG2 4.42Å; V531-L573 HydrophobicContact CB-CB 4.21Å; V531-L573 HydrophobicContact CG1-CB 3.97Å; V531-L573 HydrophobicContact CG1-CD1 4.04Å; V531-L573 PolarHBondContact O-N 3.21Å; V531-G574 PolarHBondContact N-O 2.74Å; V531-G574 PolarHBondContact O-N 3.12Å
532	G	98.3	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160.3	179.4	0	0	0	0	0	114.1	F525 I571	F525-G532 WeakPolarHBondContact CD1-O 2.99Å; F525-G532 PolarHBondContact N-O 2.9Å; F525-G532 PolarHBondContact O-N 3.21Å; G532-I571 CarbonylContact C-O 3.52Å; G532-I571 WeakPolarHBondContact CA-O 3.32Å
533	A	98.6	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131	165.8	0	0	0	0	0	109.6	L521 A523 L524 H570 I571 L573	L521-A533 HydrophobicContact CD2-CB 3.81Å; L521-A533 HydrophobicContact CG-CB 3.97Å; A523-A533 CarbonylContact O-C 3.51Å; A523-A533 WeakPolarHBondContact O-CA 3.49Å; L524-A533 HydrophobicContact CD2-CB 3.8Å; A533-H570 CarbonylContact O-C 3.43Å; A533-H570 WeakPolarHBondContact O-CA 3.46Å; A533-H570 WeakPolarHBondContact O-CB 3.3Å; A533-I571 HydrophobicContact CB-CB 4.43Å; A533-I571 PolarHBondContact N-O 2.96Å; A533-I571 PolarHBondContact O-N 3.13Å; A533-L573 HydrophobicContact CB-CD1 4.15Å
534	R	98.6	Very high	97.5	Very high	77 Å²	77	36.5 Å²	36.5	29%	0.291	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.1	172.2	-179.3	-176.3	-175.3	-169.2	1.6	109.7	L521 T522 A523 L588	L521-R534 CarbonylContact C-O 3.55Å; L521-R534 WeakPolarHBondContact CA-O 3.29Å; T522-R534 PolarHBondContact N-O 3.49Å; T522-R534 PolarHBondContact OG1-O 2.88Å; A523-R534 HydrophobicContact CB-CB 4.08Å; A523-R534 PolarHBondContact O-N 3.21Å; R534-L588 HydrophobicContact CB-CD1 4.05Å; R534-L588 HydrophobicContact CB-CD2 4.36Å; R534-L588 HydrophobicContact CG-CD1 3.98Å; R534-L588 HydrophobicContact CG-CD2 4.08Å
535	V	98.7	Very high	97.4	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.8	173.8	-177.8	0	0	0	0	109.5	C487 L519 S520 L521 L537 A569 I571	C487-V535 HydrophobicContact CB-CG2 4.46Å; L519-V535 HydrophobicContact CB-CG1 4.08Å; L519-V535 HydrophobicContact CD2-CG1 4.26Å; S520-V535 CarbonylContact O-C 3.49Å; S520-V535 WeakPolarHBondContact O-CA 3.39Å; L521-V535 HydrophobicContact CD1-CG2 4.22Å; L521-V535 HydrophobicContact CG-CG2 4.49Å; V535-L537 HydrophobicContact CG1-CD2 3.71Å; V535-L537 HydrophobicContact CG1-CG 4.47Å; V535-A569 HydrophobicContact CB-CB 4.09Å; V535-A569 PolarHBondContact N-O 3.15Å; V535-I571 HydrophobicContact CG2-CD1 3.97Å; V535-I571 HydrophobicContact CG2-CG1 3.99Å
536	C	98.1	Very high	97.2	Very high	67 Å²	67	37.7 Å²	37.7	45%	0.453	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116	166.6	-173.3	0	0	0	0	108.3	S520 T522	S520-C536 PolarHBondContact O-N 3.48Å; T522-C536 HydrophobicContact CG2-CB 3.59Å
537	L	98.2	Very high	96.6	Very high	22 Å²	22	42.2 Å²	42.2	12%	0.115	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-87.5	140.8	-178.7	-60.6	180	0	0	0	111.2	W431 L519 V535 Q541 L542 W545 A569	W431-L537 HydrophobicContact CE3-CD2 4.45Å; W431-L537 HydrophobicContact CH2-CD1 4.23Å; W431-L537 HydrophobicContact CH2-CD2 3.85Å; W431-L537 HydrophobicContact CZ3-CD1 4.26Å; W431-L537 HydrophobicContact CZ3-CD2 3.67Å; L519-L537 HydrophobicContact CD2-CD2 4.42Å; V535-L537 HydrophobicContact CG1-CD2 3.71Å; V535-L537 HydrophobicContact CG1-CG 4.47Å; L537-Q541 HydrophobicContact CB-CB 4.05Å; L537-Q541 HydrophobicContact CD2-CB 4.08Å; L537-L542 HydrophobicContact CB-CD2 3.96Å; L537-L542 HydrophobicContact CB-CG 4.01Å; L537-L542 HydrophobicContact CD1-CD2 4.02Å; L537-W545 HydrophobicContact CD1-CD2 4Å; L537-W545 HydrophobicContact CD1-CE3 3.49Å; L537-W545 VanDerWaalsContact CD1-CE3 3.49Å; L537-W545 HydrophobicContact CD1-CG 4.49Å; L537-W545 HydrophobicContact CD1-CZ3 4.01Å; L537-A569 HydrophobicContact CD1-CB 3.72Å; L537-A569 HydrophobicContact CD2-CB 4.19Å; L537-A569 HydrophobicContact CG-CB 3.75Å
538	T	97.9	Very high	95.8	Very high	68 Å²	68	44.1 Å²	44.1	42%	0.417	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-77.5	163	171.7	65.9	0	0	0	0	111.9	E540 Q541 L542	T538-E540 PolarHBondContact O-N 3.38Å; T538-E540 PolarHBondContact OG1-N 3.44Å; T538-Q541 PolarHBondContact O-N 3.1Å; T538-Q541 WeakPolarHBondContact OG1-CG 3.22Å; T538-Q541 PolarHBondContact OG1-N 2.9Å; T538-Q541 PolarHBondContact OG1-OE1 3.12Å; T538-L542 WeakPolarHBondContact O-CG 3.34Å; T538-L542 PolarHBondContact O-N 2.99Å
539	D	97.1	Very high	95.1	Very high	132 Å²	132	43 Å²	43	71%	0.706	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-27.3	171.5	-72	-15.7	0	0	0	113.3	K543	D539-K543 WeakPolarHBondContact O-CE 3.33Å; D539-K543 WeakPolarHBondContact O-CG 3.43Å
540	E	95.6	Very high	94.2	Very high	120 Å²	120	40.3 Å²	40.3	56%	0.561	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-47.6	175.2	-61.8	-94.7	93.5	0	0	111.3	T538 K543	T538-E540 PolarHBondContact O-N 3.38Å; T538-E540 PolarHBondContact OG1-N 3.44Å; E540-K543 WeakPolarHBondContact O-CB 3.34Å; E540-K543 PolarHBondContact O-N 3.33Å; E540-K543 IonicContact OE1-NZ 2.77Å; E540-K543 PolarHBondContact OE1-NZ 3.06Å
541	Q	97.9	Very high	93.2	Very high	5 Å²	5	48 Å²	48	2%	0.023	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69.8	-32.1	179.9	-70.3	158.7	-7.8	0	0	112.1	W431 F517 E518 L537 T538 K543 L544 W545	W431-Q541 HydrophobicContact CH2-CB 3.93Å; W431-Q541 HydrophobicContact CH2-CG 4.48Å; W431-Q541 HydrophobicContact CZ2-CB 3.75Å; W431-Q541 HydrophobicContact CZ2-CG 3.91Å; F517-Q541 HydrophobicContact CD1-CG 3.9Å; F517-Q541 HydrophobicContact CE1-CG 4.42Å; E518-Q541 PolarHBondContact O-NE2 3.01Å; L537-Q541 HydrophobicContact CB-CB 4.05Å; L537-Q541 HydrophobicContact CD2-CB 4.08Å; T538-Q541 PolarHBondContact O-N 3.1Å; T538-Q541 WeakPolarHBondContact OG1-CG 3.22Å; T538-Q541 PolarHBondContact OG1-N 2.9Å; T538-Q541 PolarHBondContact OG1-OE1 3.12Å; Q541-K543 PolarHBondContact O-N 2.96Å; Q541-L544 WeakPolarHBondContact O-CA 3.11Å; Q541-L544 WeakPolarHBondContact O-CB 3.4Å; Q541-L544 PolarHBondContact O-N 2.93Å; Q541-W545 PolarHBondContact O-N 3.43Å
542	L	97.3	Very high	92.2	Very high	51 Å²	51	51.3 Å²	51.3	27%	0.267	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-62.8	-21.2	173.4	-71.7	171.7	0	0	0	113.1	L537 T538 L544 W545 V565	L537-L542 HydrophobicContact CB-CD2 3.96Å; L537-L542 HydrophobicContact CB-CG 4.01Å; L537-L542 HydrophobicContact CD1-CD2 4.02Å; T538-L542 WeakPolarHBondContact O-CG 3.34Å; T538-L542 PolarHBondContact O-N 2.99Å; L542-L544 PolarHBondContact O-N 2.88Å; L542-W545 HydrophobicContact CD2-CB 4.33Å; L542-W545 WeakPolarHBondContact O-CB 3.16Å; L542-W545 PolarHBondContact O-N 1.97Å; L542-W545 VanDerWaalsContact O-N 3.14Å; L542-V565 HydrophobicContact CD2-CG1 4.46Å; L542-V565 WeakPolarHBondContact CD2-O 3.33Å
543	K	96.8	Very high	91.5	Very high	104 Å²	104	51.3 Å²	51.3	45%	0.452	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-71.3	-15.2	171.2	-56.5	158.8	-168.5	171.6	0	112.9	V508 D539 E540 Q541	V508-K543 HydrophobicContact CG1-CB 3.98Å; D539-K543 WeakPolarHBondContact O-CE 3.33Å; D539-K543 WeakPolarHBondContact O-CG 3.43Å; E540-K543 WeakPolarHBondContact O-CB 3.34Å; E540-K543 PolarHBondContact O-N 3.33Å; E540-K543 IonicContact OE1-NZ 2.77Å; E540-K543 PolarHBondContact OE1-NZ 3.06Å; Q541-K543 PolarHBondContact O-N 2.96Å
544	L	97.4	Very high	90.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-101.4	-1.5	172	-61.7	174.5	0	0	0	112.4	W431 Y503 V508 V509 C512 F517 Q541 L542 F630	W431-L544 HydrophobicContact CH2-CB 4.32Å; W431-L544 HydrophobicContact CZ2-CB 3.97Å; W431-L544 HydrophobicContact CZ2-CD1 3.92Å; Y503-L544 VanDerWaalsContact CE2-O 3.27Å; Y503-L544 WeakPolarHBondContact CE2-O 3.47Å; Y503-L544 PolarHBondContact OH-O 3.49Å; V508-L544 HydrophobicContact CB-CD2 4.48Å; V508-L544 HydrophobicContact CG1-CD2 3.88Å; V508-L544 HydrophobicContact CG1-CG 4.46Å; V509-L544 HydrophobicContact CB-CD2 4.3Å; V509-L544 HydrophobicContact CG2-CD2 3.84Å; C512-L544 HydrophobicContact CB-CD1 3.86Å; C512-L544 HydrophobicContact CB-CD2 3.99Å; C512-L544 HydrophobicContact CB-CG 4.48Å; F517-L544 HydrophobicContact CE1-CD1 4.38Å; F517-L544 HydrophobicContact CE2-CD1 3.97Å; F517-L544 HydrophobicContact CZ-CD1 3.68Å; Q541-L544 WeakPolarHBondContact O-CA 3.11Å; Q541-L544 WeakPolarHBondContact O-CB 3.4Å; Q541-L544 PolarHBondContact O-N 2.93Å; L542-L544 PolarHBondContact O-N 2.88Å; L544-F630 HydrophobicContact CD1-CD1 4.07Å; L544-F630 HydrophobicContact CD1-CD2 4.19Å; L544-F630 HydrophobicContact CD1-CE1 4.22Å; L544-F630 HydrophobicContact CD1-CE2 4.35Å; L544-F630 HydrophobicContact CD1-CG 4.06Å; L544-F630 HydrophobicContact CD1-CZ 4.36Å; L544-F630 HydrophobicContact CD2-CE1 4Å; L544-F630 HydrophobicContact CD2-CZ 4.18Å
545	W	96.8	Very high	90.2	Very high	21 Å²	21	55.2 Å²	55.2	8%	0.08	30%	0.304	C	S	.	.	S	Bend	trans	-80.6	140.6	174.8	-161	-106.9	0	0	0	111	W431 T489 L537 Q541 L542 T549 E550 R568 A569	W431-W545 HydrophobicContact CZ3-CE3 4.46Å; T489-W545 HydrophobicContact CG2-CE3 4.37Å; T489-W545 HydrophobicContact CG2-CZ3 4.47Å; L537-W545 HydrophobicContact CD1-CD2 4Å; L537-W545 HydrophobicContact CD1-CE3 3.49Å; L537-W545 VanDerWaalsContact CD1-CE3 3.49Å; L537-W545 HydrophobicContact CD1-CG 4.49Å; L537-W545 HydrophobicContact CD1-CZ3 4.01Å; Q541-W545 PolarHBondContact O-N 3.43Å; L542-W545 HydrophobicContact CD2-CB 4.33Å; L542-W545 WeakPolarHBondContact O-CB 3.16Å; L542-W545 PolarHBondContact O-N 1.97Å; L542-W545 VanDerWaalsContact O-N 3.14Å; W545-T549 HydrophobicContact CZ2-CG2 3.91Å; W545-E550 PolarHBondContact NE1-OE1 3.44Å; W545-R568 HydrophobicContact CZ2-CB 4.07Å; W545-A569 HydrophobicContact CH2-CB 3.97Å; W545-A569 HydrophobicContact CZ3-CB 3.98Å
546	P	92.6	Very high	89.7	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.032	33%	0.328	C	S	.	.			trans	-75.9	144.1	-177.3	-13.9	31.2	0	0	0	112.8	T489 K490 Y503 D548 T549	T489-P546 VanDerWaalsContact O-CG 3.26Å; T489-P546 WeakPolarHBondContact O-CG 3.16Å; K490-P546 HydrophobicContact CB-CG 3.79Å; K490-P546 HydrophobicContact CD-CB 3.96Å; K490-P546 HydrophobicContact CD-CG 3.9Å; K490-P546 HydrophobicContact CG-CG 4.33Å; Y503-P546 HydrophobicContact CD2-CB 4.25Å; Y503-P546 HydrophobicContact CD2-CG 4.18Å; Y503-P546 HydrophobicContact CE2-CB 4.39Å; Y503-P546 HydrophobicContact CE2-CG 3.93Å; P546-D548 VanDerWaalsContact C-N 3.27Å; P546-D548 WeakPolarHBondContact CB-OD1 3.46Å; P546-D548 PolarHBondContact O-N 3.11Å; P546-T549 WeakPolarHBondContact CB-OG1 3.47Å; P546-T549 WeakPolarHBondContact CG-OG1 3.25Å
547	A	84.3	Confident	89.3	Confident	95 Å²	95	57.3 Å²	57.3	79%	0.785	31%	0.311	S	S	*	.	S	Bend	trans	-83.4	1.7	-177.6	0	0	0	0	0	114.4
548	D	80.8	Confident	88.9	Confident	40 Å²	40	61.2 Å²	61.2	21%	0.214	34%	0.338	C	S	.	.	S	Bend	trans	-107	-26.2	177.5	44.4	14.6	0	0	0	113	K490 P546 E550 K551 E552	K490-D548 IonicContact NZ-OD1 2.68Å; K490-D548 PolarHBondContact NZ-OD1 3.42Å; K490-D548 VanDerWaalsContact NZ-OD1 3.1Å; K490-D548 IonicContact NZ-OD2 3.25Å; K490-D548 PolarHBondContact NZ-OD2 3.38Å; P546-D548 VanDerWaalsContact C-N 3.27Å; P546-D548 WeakPolarHBondContact CB-OD1 3.46Å; P546-D548 PolarHBondContact O-N 3.11Å; D548-E550 VanDerWaalsContact C-N 3.32Å; D548-E550 PolarHBondContact O-N 2.97Å; D548-E550 VanDerWaalsContact O-N 3.17Å; D548-K551 WeakPolarHBondContact O-CA 3.4Å; D548-K551 WeakPolarHBondContact O-CB 3.03Å; D548-K551 PolarHBondContact O-N 3.3Å; D548-E552 PolarHBondContact O-N 2.9Å
549	T	79.9	Confident	88.5	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-52.2	-40.3	-176.2	-58.8	0	0	0	0	115.1	W545 P546 K551 E552 S553	W545-T549 HydrophobicContact CZ2-CG2 3.91Å; P546-T549 WeakPolarHBondContact CB-OG1 3.47Å; P546-T549 WeakPolarHBondContact CG-OG1 3.25Å; T549-K551 PolarHBondContact O-N 3.26Å; T549-E552 PolarHBondContact O-N 3.45Å; T549-S553 WeakPolarHBondContact O-CB 3.21Å; T549-S553 PolarHBondContact O-N 3.05Å; T549-S553 PolarHBondContact O-OG 2.76Å
550	E	77.9	Confident	88.1	Confident	26 Å²	26	53 Å²	53	12%	0.121	30%	0.298	C	S	.	.	H	α-helix	trans	-74.9	-12.5	179.8	-42.7	-56.9	155.3	0	0	113.2	W545 D548 S553 V565 G566	W545-E550 PolarHBondContact NE1-OE1 3.44Å; D548-E550 VanDerWaalsContact C-N 3.32Å; D548-E550 PolarHBondContact O-N 2.97Å; D548-E550 VanDerWaalsContact O-N 3.17Å; E550-S553 WeakPolarHBondContact CA-OG 3.26Å; E550-S553 PolarHBondContact O-OG 3.21Å; E550-V565 HydrophobicContact CG-CG1 4.28Å; E550-V565 HydrophobicContact CG-CG2 4.37Å; E550-G566 PolarHBondContact OE1-N 3.17Å
551	K	75.8	Confident	87.7	Confident	162 Å²	162	50.3 Å²	50.3	70%	0.704	30%	0.296	S	S	*	.	H	α-helix	trans	-93.9	-37	172.6	-61.2	171.6	-173.3	152.7	0	111.5	D548 T549 S553	D548-K551 WeakPolarHBondContact O-CA 3.4Å; D548-K551 WeakPolarHBondContact O-CB 3.03Å; D548-K551 PolarHBondContact O-N 3.3Å; T549-K551 PolarHBondContact O-N 3.26Å; K551-S553 VanDerWaalsContact C-N 3.3Å
552	E	78.3	Confident	87.3	Confident	72 Å²	72	54.9 Å²	54.9	34%	0.336	33%	0.329	S	S	.	.	H	α-helix	trans	-56.4	-49.3	168.1	-64.7	167.3	-177.5	0	0	108.8	K490 D548 T549 E554 A555	K490-E552 IonicContact NZ-OE1 2.69Å; K490-E552 PolarHBondContact NZ-OE1 2.86Å; D548-E552 PolarHBondContact O-N 2.9Å; T549-E552 PolarHBondContact O-N 3.45Å; E552-E554 PolarHBondContact O-N 2.91Å; E552-A555 WeakPolarHBondContact O-CB 3.33Å; E552-A555 PolarHBondContact O-N 3.25Å
553	S	82.5	Confident	87.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-29.5	-176.7	69.5	0	0	0	0	115.2	T549 E550 K551 A555 D556 V557 S560 L589	T549-S553 WeakPolarHBondContact O-CB 3.21Å; T549-S553 PolarHBondContact O-N 3.05Å; T549-S553 PolarHBondContact O-OG 2.76Å; E550-S553 WeakPolarHBondContact CA-OG 3.26Å; E550-S553 PolarHBondContact O-OG 3.21Å; K551-S553 VanDerWaalsContact C-N 3.3Å; S553-A555 PolarHBondContact O-N 3.33Å; S553-D556 PolarHBondContact O-N 2.96Å; S553-V557 CarbonylContact O-C 3.54Å; S553-V557 WeakPolarHBondContact O-CA 3.48Å; S553-V557 PolarHBondContact O-N 2.95Å; S553-S560 WeakPolarHBondContact CB-OG 3.07Å; S553-S560 PolarHBondContact O-OG 3.07Å; S553-S560 VanDerWaalsContact O-OG 3.1Å; S553-S560 PolarHBondContact OG-OG 2.71Å; S553-L589 VanDerWaalsContact CB-CD1 3.45Å
554	E	84.8	Confident	86.9	Confident	72 Å²	72	53.6 Å²	53.6	34%	0.336	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-22.3	178	-175.2	59.5	-156.5	0	0	112.4	E552 G559 S560 A561	E552-E554 PolarHBondContact O-N 2.91Å; E554-G559 VanDerWaalsContact CD-N 3.26Å; E554-G559 PolarHBondContact OE1-N 3.05Å; E554-G559 VanDerWaalsContact OE2-C 3.27Å; E554-G559 WeakPolarHBondContact OE2-CA 3.47Å; E554-G559 PolarHBondContact OE2-N 3.44Å; E554-S560 WeakPolarHBondContact CA-OG 3.06Å; E554-S560 PolarHBondContact N-OG 3.32Å; E554-S560 PolarHBondContact OE2-N 3.17Å; E554-A561 HydrophobicContact CB-CB 3.94Å; E554-A561 HydrophobicContact CG-CB 3.89Å; E554-A561 WeakPolarHBondContact OE2-CB 3.4Å; E554-A561 PolarHBondContact OE2-N 3.07Å
555	A	85.4	Confident	86.7	Confident	86 Å²	86	57.9 Å²	57.9	71%	0.711	36%	0.358	S	S	*	.	H	α-helix	trans	-74.3	-35.1	173	0	0	0	0	0	112.4	E552 S553	E552-A555 WeakPolarHBondContact O-CB 3.33Å; E552-A555 PolarHBondContact O-N 3.25Å; S553-A555 PolarHBondContact O-N 3.33Å
556	D	87.9	Confident	86.7	Confident	101 Å²	101	57.1 Å²	57.1	54%	0.54	36%	0.357	S	S	.	.	H	α-helix	trans	-89.4	-38.3	-178.8	-62.8	-33.3	0	0	0	112.8	S553 L586	S553-D556 PolarHBondContact O-N 2.96Å; D556-L586 HydrophobicContact CB-CD1 4.31Å; D556-L586 HydrophobicContact CB-CD2 3.88Å
557	V	90.8	Very high	86.8	Confident	15 Å²	15	57.4 Å²	57.4	9%	0.091	36%	0.359	C	S	.	.	S	Bend	trans	-131.8	92.9	-174.2	-176.5	0	0	0	0	109	S553 S560 L586 L589 Q590	S553-V557 CarbonylContact O-C 3.54Å; S553-V557 WeakPolarHBondContact O-CA 3.48Å; S553-V557 PolarHBondContact O-N 2.95Å; V557-S560 VanDerWaalsContact O-CB 3.25Å; V557-S560 WeakPolarHBondContact O-CB 3.08Å; V557-S560 PolarHBondContact O-N 2.65Å; V557-S560 VanDerWaalsContact O-N 3.15Å; V557-S560 PolarHBondContact O-OG 2.77Å; V557-L586 HydrophobicContact CG2-CB 4.12Å; V557-L586 HydrophobicContact CG2-CD2 4.11Å; V557-L589 HydrophobicContact CB-CB 4.48Å; V557-L589 HydrophobicContact CG1-CB 4.12Å; V557-L589 HydrophobicContact CG2-CB 4.5Å; V557-Q590 HydrophobicContact CG1-CB 4.47Å
558	P	89.8	Confident	87.4	Confident	103 Å²	103	54.3 Å²	54.3	67%	0.669	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	137.6	-179.5	-27.1	35.9	0	0	0	113.1	S560	P558-S560 VanDerWaalsContact C-N 3.31Å
559	G	88	Confident	88.3	Confident	29 Å²	29	52.4 Å²	52.4	30%	0.299	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-5.3	-175	0	0	0	0	0	114.9	E554 A561 S562	E554-G559 VanDerWaalsContact CD-N 3.26Å; E554-G559 PolarHBondContact OE1-N 3.05Å; E554-G559 VanDerWaalsContact OE2-C 3.27Å; E554-G559 WeakPolarHBondContact OE2-CA 3.47Å; E554-G559 PolarHBondContact OE2-N 3.44Å; G559-A561 PolarHBondContact O-N 3.05Å; G559-S562 WeakPolarHBondContact O-CB 3.44Å; G559-S562 PolarHBondContact O-N 3.12Å; G559-S562 PolarHBondContact O-OG 2.87Å
560	S	89.6	Confident	89.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-64	-29	176	62.3	0	0	0	0	112.7	S553 E554 V557 P558 S562 L563	S553-S560 WeakPolarHBondContact CB-OG 3.07Å; S553-S560 PolarHBondContact O-OG 3.07Å; S553-S560 VanDerWaalsContact O-OG 3.1Å; S553-S560 PolarHBondContact OG-OG 2.71Å; E554-S560 WeakPolarHBondContact CA-OG 3.06Å; E554-S560 PolarHBondContact N-OG 3.32Å; E554-S560 PolarHBondContact OE2-N 3.17Å; V557-S560 VanDerWaalsContact O-CB 3.25Å; V557-S560 WeakPolarHBondContact O-CB 3.08Å; V557-S560 PolarHBondContact O-N 2.65Å; V557-S560 VanDerWaalsContact O-N 3.15Å; V557-S560 PolarHBondContact O-OG 2.77Å; P558-S560 VanDerWaalsContact C-N 3.31Å; S560-S562 PolarHBondContact O-N 3.25Å; S560-L563 VanDerWaalsContact O-CB 3.29Å; S560-L563 WeakPolarHBondContact O-CB 3.44Å; S560-L563 PolarHBondContact O-N 3.23Å
561	A	86.5	Confident	90.1	Very high	62 Å²	62	52 Å²	52	51%	0.512	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-66.2	-4.1	172	0	0	0	0	0	114.6	E554 G559	E554-A561 HydrophobicContact CB-CB 3.94Å; E554-A561 HydrophobicContact CG-CB 3.89Å; E554-A561 WeakPolarHBondContact OE2-CB 3.4Å; E554-A561 PolarHBondContact OE2-N 3.07Å; G559-A561 PolarHBondContact O-N 3.05Å
562	S	89.5	Confident	91.2	Very high	101 Å²	101	45.5 Å²	45.5	71%	0.706	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-91	-10.6	169	74.3	0	0	0	0	113.8	G559 S560	G559-S562 WeakPolarHBondContact O-CB 3.44Å; G559-S562 PolarHBondContact O-N 3.12Å; G559-S562 PolarHBondContact O-OG 2.87Å; S560-S562 PolarHBondContact O-N 3.25Å
563	L	92.8	Very high	92.1	Very high	35 Å²	35	42.8 Å²	42.8	18%	0.183	28%	0.276	C	S	.	.	S	Bend	trans	-81.1	158	178.1	-59.2	176.1	0	0	0	111.3	S560 L589 L592 T593	S560-L563 VanDerWaalsContact O-CB 3.29Å; S560-L563 WeakPolarHBondContact O-CB 3.44Å; S560-L563 PolarHBondContact O-N 3.23Å; L563-L589 HydrophobicContact CD1-CD2 3.7Å; L563-L592 HydrophobicContact CD1-CB 3.73Å; L563-L592 HydrophobicContact CD2-CB 4.25Å; L563-T593 HydrophobicContact CD1-CG2 3.85Å; L563-T593 HydrophobicContact CG-CG2 4.21Å
564	P	93.5	Very high	92.8	Very high	94 Å²	94	42.9 Å²	42.9	61%	0.61	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-59.7	142.7	171.4	-23.5	34.3	0	0	0	112.3	G566 S567	P564-G566 PolarHBondContact O-N 3.13Å; P564-S567 VanDerWaalsContact O-CB 3.24Å; P564-S567 WeakPolarHBondContact O-CB 3.49Å; P564-S567 PolarHBondContact O-N 3.32Å; P564-S567 PolarHBondContact O-OG 3.24Å
565	V	94.1	Very high	93.4	Very high	90 Å²	90	39.5 Å²	39.5	55%	0.545	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.1	174.1	-177.8	0	0	0	0	110.2	L542 E550	L542-V565 HydrophobicContact CD2-CG1 4.46Å; L542-V565 WeakPolarHBondContact CD2-O 3.33Å; E550-V565 HydrophobicContact CG-CG1 4.28Å; E550-V565 HydrophobicContact CG-CG2 4.37Å
566	G	95	Very high	93.8	Very high	6 Å²	6	35.6 Å²	35.6	6%	0.062	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	3	-174.9	0	0	0	0	0	114.5	E550 P564 R568 A569	E550-G566 PolarHBondContact OE1-N 3.17Å; P564-G566 PolarHBondContact O-N 3.13Å; G566-R568 PolarHBondContact O-N 2.97Å; G566-R568 VanDerWaalsContact O-N 3.17Å; G566-A569 WeakPolarHBondContact O-CB 3.14Å; G566-A569 PolarHBondContact O-N 3.13Å
567	S	96	Very high	94	Very high	10 Å²	10	37.2 Å²	37.2	7%	0.07	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.8	178.1	-69.1	0	0	0	0	114.2	P564 A569 L588 L592	P564-S567 VanDerWaalsContact O-CB 3.24Å; P564-S567 WeakPolarHBondContact O-CB 3.49Å; P564-S567 PolarHBondContact O-N 3.32Å; P564-S567 PolarHBondContact O-OG 3.24Å; S567-A569 VanDerWaalsContact C-N 3.28Å; S567-L588 WeakPolarHBondContact O-CD2 3.3Å; S567-L592 WeakPolarHBondContact O-CD1 3.32Å
568	R	97.3	Very high	94	Very high	30 Å²	30	42.8 Å²	42.8	11%	0.113	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2	171.7	-161.6	-177.2	177.7	179.3	0.4	112.9	W545 G566 H570 L589	W545-R568 HydrophobicContact CZ2-CB 4.07Å; G566-R568 PolarHBondContact O-N 2.97Å; G566-R568 VanDerWaalsContact O-N 3.17Å; R568-H570 PolarHBondContact O-N 3.38Å; R568-H570 PolarHBondContact O-ND1 3.21Å; R568-L589 HydrophobicContact CB-CD1 3.88Å; R568-L589 HydrophobicContact CB-CD2 4.04Å; R568-L589 HydrophobicContact CB-CG 3.99Å; R568-L589 HydrophobicContact CG-CD1 3.71Å; R568-L589 HydrophobicContact CG-CG 4.04Å
569	A	98.1	Very high	94.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.236	C	C	.	.			trans	-67.6	118.6	-179.5	0	0	0	0	0	111.6	V535 L537 W545 G566 S567 L588	V535-A569 HydrophobicContact CB-CB 4.09Å; V535-A569 PolarHBondContact N-O 3.15Å; L537-A569 HydrophobicContact CD1-CB 3.72Å; L537-A569 HydrophobicContact CD2-CB 4.19Å; L537-A569 HydrophobicContact CG-CB 3.75Å; W545-A569 HydrophobicContact CH2-CB 3.97Å; W545-A569 HydrophobicContact CZ3-CB 3.98Å; G566-A569 WeakPolarHBondContact O-CB 3.14Å; G566-A569 PolarHBondContact O-N 3.13Å; S567-A569 VanDerWaalsContact C-N 3.28Å; A569-L588 WeakPolarHBondContact O-CD2 3.39Å
570	H	98.4	Very high	94.6	Very high	23 Å²	23	43.8 Å²	43.8	11%	0.106	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	163.4	-175.3	66.3	-73.8	0	0	0	111.1	C487 A533 R568 G585 L588	C487-H570 WeakPolarHBondContact CA-O 3.15Å; C487-H570 PolarHBondContact SG-O 3.24Å; C487-H570 VanDerWaalsContact SG-O 3.33Å; A533-H570 CarbonylContact O-C 3.43Å; A533-H570 WeakPolarHBondContact O-CA 3.46Å; A533-H570 WeakPolarHBondContact O-CB 3.3Å; R568-H570 PolarHBondContact O-N 3.38Å; R568-H570 PolarHBondContact O-ND1 3.21Å; H570-G585 WeakPolarHBondContact CE1-CA 3.32Å; H570-G585 PolarHBondContact CE1-N 2.71Å; H570-G585 WeakPolarHBondContact ND1-CA 3.44Å; H570-G585 PolarHBondContact NE2-N 3.4Å; H570-L588 HydrophobicContact CB-CD2 3.87Å
571	I	98.5	Very high	94.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.9	162	-64.4	156.5	0	0	0	106.5	L433 L485 C487 L519 L521 G532 A533 V535 L573	L433-I571 HydrophobicContact CD1-CD1 3.78Å; L433-I571 HydrophobicContact CD1-CG1 4.35Å; L433-I571 HydrophobicContact CD2-CD1 3.99Å; L485-I571 HydrophobicContact CB-CG2 3.99Å; L485-I571 HydrophobicContact CD2-CG2 4.41Å; C487-I571 HydrophobicContact CB-CG1 3.96Å; L519-I571 HydrophobicContact CD1-CD1 4.45Å; L521-I571 HydrophobicContact CD1-CD1 3.79Å; L521-I571 HydrophobicContact CD2-CD1 3.94Å; L521-I571 HydrophobicContact CG-CD1 4.01Å; G532-I571 CarbonylContact C-O 3.52Å; G532-I571 WeakPolarHBondContact CA-O 3.32Å; A533-I571 HydrophobicContact CB-CB 4.43Å; A533-I571 PolarHBondContact N-O 2.96Å; A533-I571 PolarHBondContact O-N 3.13Å; V535-I571 HydrophobicContact CG2-CD1 3.97Å; V535-I571 HydrophobicContact CG2-CG1 3.99Å; I571-L573 HydrophobicContact CG2-CD2 4.12Å
572	T	98.3	Very high	95.2	Very high	27 Å²	27	47.3 Å²	47.3	17%	0.166	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.8	169.7	-59.4	0	0	0	0	109	L485 P581 T584	L485-T572 WeakPolarHBondContact CD2-O 3.24Å; T572-P581 HydrophobicContact CG2-CB 4.25Å; T572-P581 PolarHBondContact OG1-O 2.76Å; T572-T584 HydrophobicContact CG2-CG2 4.44Å; T572-T584 WeakPolarHBondContact CG2-OG1 2.41Å; T572-T584 VanDerWaalsContact OG1-CB 3.26Å; T572-T584 WeakPolarHBondContact OG1-CB 3.1Å; T572-T584 PolarHBondContact OG1-OG1 2.98Å
573	L	97.5	Very high	95.5	Very high	14 Å²	14	45 Å²	45	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-33.7	-179.8	-60.5	170.6	0	0	0	110.9	V441 A445 L485 L524 V531 A533 I571	V441-L573 HydrophobicContact CG1-CD2 3.63Å; A445-L573 HydrophobicContact CB-CD1 3.81Å; L485-L573 HydrophobicContact CD1-CD2 4.05Å; L485-L573 HydrophobicContact CD2-CD2 4.25Å; L524-L573 HydrophobicContact CD2-CD1 4.02Å; V531-L573 HydrophobicContact CB-CB 4.21Å; V531-L573 HydrophobicContact CG1-CB 3.97Å; V531-L573 HydrophobicContact CG1-CD1 4.04Å; V531-L573 PolarHBondContact O-N 3.21Å; A533-L573 HydrophobicContact CB-CD1 4.15Å; I571-L573 HydrophobicContact CG2-CD2 4.12Å
574	G	96.9	Very high	95.8	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	157.8	171.1	0	0	0	0	0	112.2	E480 T530 V531	E480-G574 WeakPolarHBondContact O-CA 3.43Å; T530-G574 WeakPolarHBondContact CA-O 3.4Å; V531-G574 PolarHBondContact N-O 2.74Å; V531-G574 PolarHBondContact O-N 3.12Å
575	C	96.8	Very high	96	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.6	177	-69	0	0	0	0	110.3	F479 E480 V579	F479-C575 CarbonylContact C-O 3.55Å; F479-C575 WeakPolarHBondContact CA-O 3.29Å; E480-C575 PolarHBondContact N-O 3.05Å; E480-C575 PolarHBondContact O-N 2.97Å; C575-V579 HydrophobicContact CB-CB 4.29Å; C575-V579 HydrophobicContact CB-CG1 4.49Å; C575-V579 WeakPolarHBondContact CB-O 3.32Å
576	A	94.8	Very high	96.1	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.033	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	157.9	166.7	0	0	0	0	0	109.7	Y478 F479 R529 D578 V579	Y478-A576 HydrophobicContact CD1-CB 4.34Å; Y478-A576 HydrophobicContact CE1-CB 3.62Å; F479-A576 HydrophobicContact CE1-CB 4.49Å; R529-A576 WeakPolarHBondContact O-CB 3.29Å; R529-A576 PolarHBondContact O-N 3.07Å; A576-D578 PolarHBondContact O-N 3.39Å; A576-V579 HydrophobicContact CB-CG2 3.99Å; A576-V579 WeakPolarHBondContact O-CB 3.47Å; A576-V579 PolarHBondContact O-N 3.39Å; A576-V579 VanDerWaalsContact O-N 3.08Å
577	K	92.3	Very high	96.3	Very high	135 Å²	135	35.4 Å²	35.4	59%	0.587	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	137.7	178.8	-168.1	-165.7	175.1	-68.2	0	110.9	V579	K577-V579 PolarHBondContact O-N 2.76Å
578	D	91.1	Very high	96.4	Very high	133 Å²	133	35 Å²	35	71%	0.711	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	17	-178.9	-46.5	-41.2	0	0	0	114.7	A576	A576-D578 PolarHBondContact O-N 3.39Å
579	V	95.1	Very high	96.4	Very high	25 Å²	25	33.5 Å²	33.5	15%	0.152	17%	0.174	C	C	.	.			trans	-102.4	135.4	171.6	178.5	0	0	0	0	111.5	R529 T530 C575 A576 K577 Q583	R529-V579 HydrophobicContact CB-CG1 4.19Å; R529-V579 HydrophobicContact CB-CG2 4.33Å; T530-V579 HydrophobicContact CG2-CG1 4Å; C575-V579 HydrophobicContact CB-CB 4.29Å; C575-V579 HydrophobicContact CB-CG1 4.49Å; C575-V579 WeakPolarHBondContact CB-O 3.32Å; A576-V579 HydrophobicContact CB-CG2 3.99Å; A576-V579 WeakPolarHBondContact O-CB 3.47Å; A576-V579 PolarHBondContact O-N 3.39Å; A576-V579 VanDerWaalsContact O-N 3.08Å; K577-V579 PolarHBondContact O-N 2.76Å; V579-Q583 HydrophobicContact CG1-CB 3.89Å; V579-Q583 HydrophobicContact CG1-CG 4.11Å
580	E	94.1	Very high	96.3	Very high	128 Å²	128	36.3 Å²	36.3	60%	0.598	19%	0.188	S	C	*	.			trans	-84.7	139.3	176.8	-74.2	-55.3	128.4	0	0	113.3	V582 Q583	E580-V582 HydrophobicContact CB-CG1 4.09Å; E580-V582 PolarHBondContact O-N 2.8Å; E580-Q583 WeakPolarHBondContact O-CB 3.25Å; E580-Q583 PolarHBondContact O-N 3.29Å
581	P	95	Very high	96.2	Very high	44 Å²	44	35.3 Å²	35.3	29%	0.286	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.7	-177.7	-28.9	36.2	0	0	0	115.7	T572 Q583 T584	T572-P581 HydrophobicContact CG2-CB 4.25Å; T572-P581 PolarHBondContact OG1-O 2.76Å; P581-Q583 PolarHBondContact O-N 3.09Å; P581-Q583 VanDerWaalsContact O-N 3.09Å; P581-T584 WeakPolarHBondContact O-CB 3.12Å; P581-T584 PolarHBondContact O-N 2.89Å; P581-T584 PolarHBondContact O-OG1 2.99Å
582	V	94.3	Very high	96.1	Very high	91 Å²	91	36.9 Å²	36.9	55%	0.552	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.6	176.9	68	0	0	0	0	113.2	E580 T584 G585	E580-V582 HydrophobicContact CB-CG1 4.09Å; E580-V582 PolarHBondContact O-N 2.8Å; V582-T584 PolarHBondContact O-N 3.23Å; V582-G585 PolarHBondContact O-N 2.68Å
583	Q	96.8	Very high	95.9	Very high	54 Å²	54	38 Å²	38	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-62.1	-30.7	176.2	-172.5	59.6	54.5	0	0	112.2	R529 T530 V579 E580 P581 G585 L586 D587	R529-Q583 HydrophobicContact CB-CG 4.25Å; T530-Q583 HydrophobicContact CG2-CB 4.06Å; T530-Q583 HydrophobicContact CG2-CG 4.18Å; V579-Q583 HydrophobicContact CG1-CB 3.89Å; V579-Q583 HydrophobicContact CG1-CG 4.11Å; E580-Q583 WeakPolarHBondContact O-CB 3.25Å; E580-Q583 PolarHBondContact O-N 3.29Å; P581-Q583 PolarHBondContact O-N 3.09Å; P581-Q583 VanDerWaalsContact O-N 3.09Å; Q583-G585 VanDerWaalsContact C-N 3.28Å; Q583-G585 PolarHBondContact O-N 2.84Å; Q583-L586 PolarHBondContact O-N 2.8Å; Q583-D587 PolarHBondContact NE2-OD1 2.87Å; Q583-D587 WeakPolarHBondContact O-CB 3.44Å; Q583-D587 PolarHBondContact O-N 2.98Å
584	T	97.9	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-36	-176.7	-45.2	0	0	0	0	112.3	F525 T530 T572 P581 V582 L588	F525-T584 HydrophobicContact CE2-CG2 3.92Å; F525-T584 HydrophobicContact CZ-CG2 3.61Å; F525-T584 WeakPolarHBondContact CZ-O 3.08Å; T530-T584 WeakPolarHBondContact CB-OG1 3.31Å; T530-T584 WeakPolarHBondContact CG2-OG1 3.34Å; T572-T584 HydrophobicContact CG2-CG2 4.44Å; T572-T584 WeakPolarHBondContact CG2-OG1 2.41Å; T572-T584 VanDerWaalsContact OG1-CB 3.26Å; T572-T584 WeakPolarHBondContact OG1-CB 3.1Å; T572-T584 PolarHBondContact OG1-OG1 2.98Å; P581-T584 WeakPolarHBondContact O-CB 3.12Å; P581-T584 PolarHBondContact O-N 2.89Å; P581-T584 PolarHBondContact O-OG1 2.99Å; V582-T584 PolarHBondContact O-N 3.23Å; T584-L588 WeakPolarHBondContact O-CB 3.49Å; T584-L588 PolarHBondContact O-N 3.25Å
585	G	97.3	Very high	95.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72.8	-32.9	174.7	0	0	0	0	0	113.7	H570 V582 Q583 L589	H570-G585 WeakPolarHBondContact CE1-CA 3.32Å; H570-G585 PolarHBondContact CE1-N 2.71Å; H570-G585 WeakPolarHBondContact ND1-CA 3.44Å; H570-G585 PolarHBondContact NE2-N 3.4Å; V582-G585 PolarHBondContact O-N 2.68Å; Q583-G585 VanDerWaalsContact C-N 3.28Å; Q583-G585 PolarHBondContact O-N 2.84Å; G585-L589 WeakPolarHBondContact O-CG 3.43Å; G585-L589 PolarHBondContact O-N 2.99Å; G585-L589 VanDerWaalsContact O-N 3.15Å
586	L	97.2	Very high	94.8	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.12	28%	0.275	C	S	.	.	H	α-helix	trans	-72.4	-40.2	175.6	-58.8	179.6	0	0	0	110.8	D556 V557 Q583 L589 Q590	D556-L586 HydrophobicContact CB-CD1 4.31Å; D556-L586 HydrophobicContact CB-CD2 3.88Å; V557-L586 HydrophobicContact CG2-CB 4.12Å; V557-L586 HydrophobicContact CG2-CD2 4.11Å; Q583-L586 PolarHBondContact O-N 2.8Å; L586-L589 PolarHBondContact O-N 2.74Å; L586-Q590 PolarHBondContact O-N 3Å
587	D	98	Very high	94.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-46.2	172.9	-78.1	7.9	0	0	0	111.6	F525 T527 R529 T530 Q583 Q590 I591	F525-D587 HydrophobicContact CE2-CB 4.32Å; T527-D587 WeakPolarHBondContact CB-OD2 3.19Å; T527-D587 HydrophobicContact CG2-CB 3.76Å; T527-D587 WeakPolarHBondContact CG2-OD2 3.21Å; T527-D587 PolarHBondContact OG1-OD2 3.35Å; R529-D587 IonicContact CZ-OD1 3.93Å; R529-D587 VanDerWaalsContact CZ-OD1 3.3Å; R529-D587 IonicContact NE-OD1 3.79Å; R529-D587 PolarHBondContact NE-OD1 2.81Å; R529-D587 IonicContact NE-OD2 3.1Å; R529-D587 IonicContact NH2-OD1 2.76Å; R529-D587 PolarHBondContact NH2-OD1 3.3Å; R529-D587 IonicContact NH2-OD2 2.8Å; T530-D587 PolarHBondContact OG1-OD2 2.78Å; Q583-D587 PolarHBondContact NE2-OD1 2.87Å; Q583-D587 WeakPolarHBondContact O-CB 3.44Å; Q583-D587 PolarHBondContact O-N 2.98Å; D587-Q590 PolarHBondContact O-N 3.5Å; D587-I591 WeakPolarHBondContact O-CG1 3.26Å; D587-I591 PolarHBondContact O-N 3.23Å
588	L	98.4	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-49.4	173.8	176	58.2	0	0	0	111.7	F525 R534 S567 A569 H570 T584 Q590 I591 L592 M617	F525-L588 HydrophobicContact CD1-CD1 4.13Å; F525-L588 HydrophobicContact CE1-CB 4.01Å; F525-L588 HydrophobicContact CE1-CD1 3.91Å; F525-L588 HydrophobicContact CE1-CD2 4.31Å; F525-L588 HydrophobicContact CE1-CG 4.29Å; F525-L588 HydrophobicContact CE2-CB 4.27Å; F525-L588 HydrophobicContact CZ-CB 3.68Å; F525-L588 HydrophobicContact CZ-CD1 4.42Å; F525-L588 HydrophobicContact CZ-CG 4.46Å; R534-L588 HydrophobicContact CB-CD1 4.05Å; R534-L588 HydrophobicContact CB-CD2 4.36Å; R534-L588 HydrophobicContact CG-CD1 3.98Å; R534-L588 HydrophobicContact CG-CD2 4.08Å; S567-L588 WeakPolarHBondContact O-CD2 3.3Å; A569-L588 WeakPolarHBondContact O-CD2 3.39Å; H570-L588 HydrophobicContact CB-CD2 3.87Å; T584-L588 WeakPolarHBondContact O-CB 3.49Å; T584-L588 PolarHBondContact O-N 3.25Å; L588-Q590 VanDerWaalsContact C-N 3.3Å; L588-Q590 PolarHBondContact O-N 3.46Å; L588-I591 PolarHBondContact O-N 3.17Å; L588-I591 VanDerWaalsContact O-N 3.16Å; L588-L592 HydrophobicContact CD1-CD1 3.91Å; L588-L592 HydrophobicContact CD1-CG 4.06Å; L588-L592 HydrophobicContact CG-CD1 3.98Å; L588-L592 HydrophobicContact CG-CG 4.47Å; L588-L592 WeakPolarHBondContact O-CG 3.21Å; L588-L592 PolarHBondContact O-N 3.5Å; L588-M617 HydrophobicContact CD1-CE 3.71Å
589	L	97.3	Very high	94.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-39.3	178.3	-71.4	175.1	0	0	0	111.9	S553 V557 L563 R568 G585 L586 I591 L592 T593	S553-L589 VanDerWaalsContact CB-CD1 3.45Å; V557-L589 HydrophobicContact CB-CB 4.48Å; V557-L589 HydrophobicContact CG1-CB 4.12Å; V557-L589 HydrophobicContact CG2-CB 4.5Å; L563-L589 HydrophobicContact CD1-CD2 3.7Å; R568-L589 HydrophobicContact CB-CD1 3.88Å; R568-L589 HydrophobicContact CB-CD2 4.04Å; R568-L589 HydrophobicContact CB-CG 3.99Å; R568-L589 HydrophobicContact CG-CD1 3.71Å; R568-L589 HydrophobicContact CG-CG 4.04Å; G585-L589 WeakPolarHBondContact O-CG 3.43Å; G585-L589 PolarHBondContact O-N 2.99Å; G585-L589 VanDerWaalsContact O-N 3.15Å; L586-L589 PolarHBondContact O-N 2.74Å; L589-I591 VanDerWaalsContact C-N 3.32Å; L589-I591 PolarHBondContact O-N 2.77Å; L589-L592 PolarHBondContact O-N 2.83Å; L589-L592 VanDerWaalsContact O-N 3.12Å; L589-T593 PolarHBondContact O-N 2.96Å; L589-T593 PolarHBondContact O-OG1 3.15Å
590	Q	96.1	Very high	94.2	Very high	59 Å²	59	50.8 Å²	50.8	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-36.8	175.5	-170.5	179.4	49.7	0	0	112.1	V557 L586 D587 L588 L592 T593 L594	V557-Q590 HydrophobicContact CG1-CB 4.47Å; L586-Q590 PolarHBondContact O-N 3Å; D587-Q590 PolarHBondContact O-N 3.5Å; L588-Q590 VanDerWaalsContact C-N 3.3Å; L588-Q590 PolarHBondContact O-N 3.46Å; Q590-L592 VanDerWaalsContact C-N 3.35Å; Q590-T593 PolarHBondContact O-OG1 2.6Å; Q590-L594 WeakPolarHBondContact O-CD1 3.17Å; Q590-L594 VanDerWaalsContact O-CG 3.28Å; Q590-L594 WeakPolarHBondContact O-CG 3.08Å
591	I	97.3	Very high	94.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-36.5	173.2	-63.3	164.4	0	0	0	111.1	F525 T527 D587 L588 L589 Y611 R615 M617	F525-I591 HydrophobicContact CB-CD1 4.04Å; F525-I591 HydrophobicContact CD2-CD1 3.88Å; F525-I591 HydrophobicContact CG-CD1 4.18Å; T527-I591 HydrophobicContact CG2-CD1 4.21Å; D587-I591 WeakPolarHBondContact O-CG1 3.26Å; D587-I591 PolarHBondContact O-N 3.23Å; L588-I591 PolarHBondContact O-N 3.17Å; L588-I591 VanDerWaalsContact O-N 3.16Å; L589-I591 VanDerWaalsContact C-N 3.32Å; L589-I591 PolarHBondContact O-N 2.77Å; I591-Y611 HydrophobicContact CG2-CD1 3.97Å; I591-Y611 HydrophobicContact CG2-CD2 3.88Å; I591-Y611 HydrophobicContact CG2-CE1 3.99Å; I591-Y611 HydrophobicContact CG2-CE2 3.93Å; I591-Y611 HydrophobicContact CG2-CG 3.9Å; I591-R615 HydrophobicContact CD1-CB 4.38Å; I591-R615 HydrophobicContact CG1-CB 4.07Å; I591-R615 HydrophobicContact CG1-CG 4.21Å; I591-M617 HydrophobicContact CB-CE 4.2Å; I591-M617 HydrophobicContact CD1-CE 4.32Å; I591-M617 HydrophobicContact CG2-CB 4.41Å; I591-M617 HydrophobicContact CG2-CE 3.61Å; I591-M617 HydrophobicContact CG2-SD 4.19Å
592	L	96.1	Very high	94	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	28%	0.276	C	S	.	.	H	α-helix	trans	-78.8	-24.2	-177	-66.2	177.8	0	0	0	114.6	L563 S567 L588 L589 Q590	L563-L592 HydrophobicContact CD1-CB 3.73Å; L563-L592 HydrophobicContact CD2-CB 4.25Å; S567-L592 WeakPolarHBondContact O-CD1 3.32Å; L588-L592 HydrophobicContact CD1-CD1 3.91Å; L588-L592 HydrophobicContact CD1-CG 4.06Å; L588-L592 HydrophobicContact CG-CD1 3.98Å; L588-L592 HydrophobicContact CG-CG 4.47Å; L588-L592 WeakPolarHBondContact O-CG 3.21Å; L588-L592 PolarHBondContact O-N 3.5Å; L589-L592 PolarHBondContact O-N 2.83Å; L589-L592 VanDerWaalsContact O-N 3.12Å; Q590-L592 VanDerWaalsContact C-N 3.35Å
593	T	94.9	Very high	93.8	Very high	50 Å²	50	48.8 Å²	48.8	31%	0.307	26%	0.255	S	S	.	.	H	α-helix	trans	-82.5	-15.3	173.5	55.4	0	0	0	0	113.8	L563 L589 Q590	L563-T593 HydrophobicContact CD1-CG2 3.85Å; L563-T593 HydrophobicContact CG-CG2 4.21Å; L589-T593 PolarHBondContact O-N 2.96Å; L589-T593 PolarHBondContact O-OG1 3.15Å; Q590-T593 PolarHBondContact O-OG1 2.6Å
594	L	93.8	Very high	93.5	Very high	61 Å²	61	54.7 Å²	54.7	32%	0.319	28%	0.282	S	S	.	.	S	Bend	trans	-74.1	155	176.9	-76.1	168.4	0	0	0	112.1	Q590 Y611	Q590-L594 WeakPolarHBondContact O-CD1 3.17Å; Q590-L594 VanDerWaalsContact O-CG 3.28Å; Q590-L594 WeakPolarHBondContact O-CG 3.08Å; L594-Y611 HydrophobicContact CB-CD1 3.99Å; L594-Y611 HydrophobicContact CD1-CD1 4.4Å
595	P	88.2	Confident	93.2	Very high	106 Å²	106	58.2 Å²	58.2	69%	0.688	30%	0.301	S	S	*	.			trans	-59.7	163.1	170.2	28.4	-36.1	0	0	0	111.1	G597 Y611	P595-G597 PolarHBondContact O-N 3.29Å; P595-Y611 WeakPolarHBondContact O-CE1 3.38Å
596	Q	85.4	Confident	93.2	Very high	152 Å²	152	58.2 Å²	58.2	71%	0.71	30%	0.301	S	S	*	.			trans	-54.5	110.8	-179.6	-177.8	171.4	-7.4	0	0	111.1
597	G	86.5	Confident	93.1	Very high	10 Å²	10	58.4 Å²	58.4	10%	0.103	30%	0.304	C	S	.	.			trans	-61	158.2	-176.3	0	0	0	0	0	113.8	P595 V599 Y610	P595-G597 PolarHBondContact O-N 3.29Å; G597-V599 PolarHBondContact O-N 2.91Å; G597-Y610 CarbonylContact C-O 3.56Å; G597-Y610 WeakPolarHBondContact CA-O 3.45Å
598	E	91.1	Very high	93.1	Very high	134 Å²	134	58.4 Å²	58.4	63%	0.626	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	126.3	179.3	-177.2	168.6	179.8	0	0	109.9	V600 R609 Y610	E598-V600 PolarHBondContact O-N 3.15Å; E598-R609 CarbonylContact O-C 3.58Å; E598-R609 WeakPolarHBondContact O-CA 3.42Å; E598-Y610 PolarHBondContact N-O 3.2Å; E598-Y610 PolarHBondContact O-N 3.42Å
599	V	90.6	Very high	93	Very high	76 Å²	76	61.9 Å²	61.9	46%	0.461	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	111	174.8	-178.1	0	0	0	0	107.8	G597 R609	G597-V599 PolarHBondContact O-N 2.91Å; V599-R609 HydrophobicContact CG2-CG 4.12Å
600	V	91.7	Very high	93	Very high	44 Å²	44	62.6 Å²	62.6	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-44.3	-175	178.5	0	0	0	0	110.7	E598 L608 W616	E598-V600 PolarHBondContact O-N 3.15Å; V600-L608 PolarHBondContact N-O 3.26Å; V600-W616 HydrophobicContact CB-CZ3 4.11Å; V600-W616 HydrophobicContact CG1-CH2 4.43Å; V600-W616 HydrophobicContact CG1-CZ3 4.14Å; V600-W616 HydrophobicContact CG2-CH2 4.19Å; V600-W616 HydrophobicContact CG2-CZ3 3.77Å
601	E	91.9	Very high	93	Very high	85 Å²	85	61.4 Å²	61.4	40%	0.397	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	150.4	-177.7	-156.9	162.3	147.2	0	0	112.3	L608	E601-L608 PolarHBondContact O-N 2.67Å
602	E	93.1	Very high	92.9	Very high	114 Å²	114	62.6 Å²	62.6	53%	0.533	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.7	168.2	-79.3	-65.6	153	0	0	108.8	S607	E602-S607 VanDerWaalsContact CD-OG 3.28Å; E602-S607 WeakPolarHBondContact OE1-CB 3.43Å; E602-S607 PolarHBondContact OE1-OG 2.95Å; E602-S607 PolarHBondContact OE2-OG 2.85Å
603	M	91	Very high	92.7	Very high	21 Å²	21	67.1 Å²	67.1	10%	0.103	35%	0.346	C	S	.	.			trans	-87	171	-177.4	-51.7	177.5	75.9	0	0	110.8	T451 L455 L605 G606 L608 L618 R621	T451-M603 HydrophobicContact CG2-CE 3.32Å; L455-M603 HydrophobicContact CD1-CE 4.29Å; L455-M603 HydrophobicContact CD1-SD 4.47Å; M603-L605 VanDerWaalsContact C-N 3.32Å; M603-L605 PolarHBondContact O-N 2.76Å; M603-G606 WeakPolarHBondContact CA-O 3.48Å; M603-G606 WeakPolarHBondContact CB-O 3.44Å; M603-G606 PolarHBondContact N-O 3.37Å; M603-G606 PolarHBondContact O-N 2.89Å; M603-L608 HydrophobicContact CG-CB 4.22Å; M603-L608 HydrophobicContact SD-CB 3.81Å; M603-L608 HydrophobicContact SD-CD2 4.03Å; M603-L608 HydrophobicContact SD-CG 4.35Å; M603-L618 HydrophobicContact CB-CD1 4.46Å; M603-L618 HydrophobicContact CG-CD1 4.5Å; M603-L618 HydrophobicContact SD-CD1 3.91Å; M603-L618 HydrophobicContact SD-CD2 4.37Å; M603-R621 PolarHBondContact O-NH2 3.15Å
604	E	89.8	Confident	92.6	Very high	178 Å²	178	64.7 Å²	64.7	83%	0.832	33%	0.331	S	S	*	.	S	Bend	trans	-58.5	-45	174.4	-176.4	167.1	-167.5	0	0	111.9	G606 R621	E604-G606 PolarHBondContact O-N 3.3Å; E604-R621 PolarHBondContact O-NH1 2.76Å; E604-R621 PolarHBondContact O-NH2 3.37Å
605	L	92.4	Very high	92.8	Very high	74 Å²	74	62.5 Å²	62.5	39%	0.387	32%	0.319	S	S	.	.	S	Bend	trans	-72.5	-20.5	178.5	-65.2	176.6	0	0	0	114.2	T444 M603 L618 L620 R621	T444-L605 HydrophobicContact CG2-CD1 4.19Å; M603-L605 VanDerWaalsContact C-N 3.32Å; M603-L605 PolarHBondContact O-N 2.76Å; L605-L618 HydrophobicContact CB-CD2 4.07Å; L605-L618 HydrophobicContact CD1-CD2 4.25Å; L605-L620 HydrophobicContact CB-CD2 4.21Å; L605-L620 WeakPolarHBondContact O-CA 3.39Å; L605-R621 PolarHBondContact O-N 2.84Å
606	G	96	Very high	93.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.7	-166.6	-178.3	0	0	0	0	0	115.4	M603 E604 L618 G619	M603-G606 WeakPolarHBondContact CA-O 3.48Å; M603-G606 WeakPolarHBondContact CB-O 3.44Å; M603-G606 PolarHBondContact N-O 3.37Å; M603-G606 PolarHBondContact O-N 2.89Å; E604-G606 PolarHBondContact O-N 3.3Å; G606-L618 VanDerWaalsContact C-CD1 3.48Å; G606-L618 WeakPolarHBondContact O-CD1 3.48Å; G606-G619 CarbonylContact C-O 3.51Å; G606-G619 VanDerWaalsContact CA-O 3.32Å; G606-G619 WeakPolarHBondContact CA-O 3.41Å
607	S	96.4	Very high	93.8	Very high	27 Å²	27	50.8 Å²	50.8	19%	0.189	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.9	-173.8	-48.9	0	0	0	0	112.1	E602 L618 G619	E602-S607 VanDerWaalsContact CD-OG 3.28Å; E602-S607 WeakPolarHBondContact OE1-CB 3.43Å; E602-S607 PolarHBondContact OE1-OG 2.95Å; E602-S607 PolarHBondContact OE2-OG 2.85Å; S607-L618 WeakPolarHBondContact O-CA 3.45Å; S607-G619 PolarHBondContact N-O 3.33Å; S607-G619 PolarHBondContact O-N 2.78Å
608	L	97.5	Very high	94.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.2	172.5	-176	64.4	0	0	0	111.4	F448 L452 L455 V600 E601 M603 W616 L618	F448-L608 HydrophobicContact CE2-CD1 4.11Å; F448-L608 HydrophobicContact CZ-CD1 4.4Å; L452-L608 HydrophobicContact CD1-CD1 4.34Å; L452-L608 HydrophobicContact CD1-CD2 3.82Å; L455-L608 HydrophobicContact CD1-CD2 3.41Å; L455-L608 VanDerWaalsContact CD1-CD2 3.41Å; V600-L608 PolarHBondContact N-O 3.26Å; E601-L608 PolarHBondContact O-N 2.67Å; M603-L608 HydrophobicContact CG-CB 4.22Å; M603-L608 HydrophobicContact SD-CB 3.81Å; M603-L608 HydrophobicContact SD-CD2 4.03Å; M603-L608 HydrophobicContact SD-CG 4.35Å; L608-W616 HydrophobicContact CD1-CE3 4.01Å; L608-W616 HydrophobicContact CD2-CE3 4.03Å; L608-W616 HydrophobicContact CD2-CZ3 4.04Å; L608-W616 HydrophobicContact CG-CE3 3.97Å; L608-W616 HydrophobicContact CG-CZ3 4.25Å; L608-L618 HydrophobicContact CD1-CB 4.21Å
609	R	96.8	Very high	94.6	Very high	73 Å²	73	45.2 Å²	45.2	28%	0.275	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.3	178.8	-60.7	-175.1	-169.9	169.7	3.5	113.2	E598 V599 Y611 W616 M617	E598-R609 CarbonylContact O-C 3.58Å; E598-R609 WeakPolarHBondContact O-CA 3.42Å; V599-R609 HydrophobicContact CG2-CG 4.12Å; R609-Y611 HydrophobicContact CB-CD2 4.28Å; R609-Y611 HydrophobicContact CB-CE2 3.66Å; R609-W616 WeakPolarHBondContact O-CA 3.28Å; R609-M617 PolarHBondContact N-O 2.96Å; R609-M617 PolarHBondContact O-N 2.85Å
610	Y	96.8	Very high	95	Very high	15 Å²	15	42.7 Å²	42.7	6%	0.059	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138	174.9	-174.1	-128.6	0	0	0	111.9	H461 D464 G597 E598 G612 E613 G614 R615 W616	H461-Y610 HydrophobicContact CB-CE1 4.22Å; H461-Y610 HydrophobicContact CB-CE2 4.47Å; H461-Y610 AromaticContact CE1-CD1 3.98Å; H461-Y610 AromaticContact CE1-CE1 3.58Å; H461-Y610 AromaticContact CG-CE1 3.6Å; H461-Y610 AromaticContact CG-CZ 3.9Å; H461-Y610 AromaticContact ND1-CE1 3.29Å; H461-Y610 VanDerWaalsContact ND1-CE1 3.29Å; H461-Y610 WeakPolarHBondContact ND1-CE1 3.37Å; H461-Y610 AromaticContact ND1-CZ 3.83Å; D464-Y610 WeakPolarHBondContact CB-OH 3.42Å; D464-Y610 PolarHBondContact OD2-OH 3.02Å; G597-Y610 CarbonylContact C-O 3.56Å; G597-Y610 WeakPolarHBondContact CA-O 3.45Å; E598-Y610 PolarHBondContact N-O 3.2Å; E598-Y610 PolarHBondContact O-N 3.42Å; Y610-G612 WeakPolarHBondContact OH-CA 3.35Å; Y610-E613 PolarHBondContact OH-N 3.49Å; Y610-G614 PolarHBondContact OH-N 3.23Å; Y610-R615 WeakPolarHBondContact CD2-O 3.2Å; Y610-W616 AromaticContact CD2-CD2 3.73Å; Y610-W616 HydrophobicContact CD2-CD2 3.73Å; Y610-W616 AromaticContact CD2-CE2 3.39Å; Y610-W616 HydrophobicContact CD2-CE3 4.17Å; Y610-W616 HydrophobicContact CD2-CG 4.26Å; Y610-W616 HydrophobicContact CD2-CH2 4.04Å; Y610-W616 AromaticContact CD2-CZ2 3.56Å; Y610-W616 HydrophobicContact CD2-CZ2 3.56Å; Y610-W616 HydrophobicContact CD2-CZ3 4.33Å; Y610-W616 AromaticContact CD2-NE1 3.77Å; Y610-W616 HydrophobicContact CE2-CD2 4.49Å; Y610-W616 AromaticContact CE2-CE2 3.81Å; Y610-W616 HydrophobicContact CE2-CZ2 4Å; Y610-W616 AromaticContact CE2-NE1 3.77Å; Y610-W616 HydrophobicContact CG-CH2 4.07Å; Y610-W616 HydrophobicContact CG-CZ2 4.01Å; Y610-W616 HydrophobicContact CG-CZ3 4.34Å
611	Y	96.2	Very high	95.2	Very high	34 Å²	34	48.1 Å²	48.1	13%	0.133	23%	0.233	C	C	.	.			trans	-124.3	20.1	-173.2	-74.3	-97.6	0	0	0	112.9	I591 L594 P595 R609 R615 M617	I591-Y611 HydrophobicContact CG2-CD1 3.97Å; I591-Y611 HydrophobicContact CG2-CD2 3.88Å; I591-Y611 HydrophobicContact CG2-CE1 3.99Å; I591-Y611 HydrophobicContact CG2-CE2 3.93Å; I591-Y611 HydrophobicContact CG2-CG 3.9Å; L594-Y611 HydrophobicContact CB-CD1 3.99Å; L594-Y611 HydrophobicContact CD1-CD1 4.4Å; P595-Y611 WeakPolarHBondContact O-CE1 3.38Å; R609-Y611 HydrophobicContact CB-CD2 4.28Å; R609-Y611 HydrophobicContact CB-CE2 3.66Å; Y611-R615 PolarHBondContact N-O 2.97Å; Y611-R615 PolarHBondContact O-NE 3.29Å; Y611-R615 PolarHBondContact O-NH2 3.06Å; Y611-M617 HydrophobicContact CD2-CB 4.44Å; Y611-M617 HydrophobicContact CE2-CB 4.02Å
612	G	93.8	Very high	95.5	Very high	26 Å²	26	51.5 Å²	51.5	27%	0.268	25%	0.249	S	C	.	.	S	Bend	trans	71.3	164.1	-177.1	0	0	0	0	0	113.4	Y610 G614 R615	Y610-G612 WeakPolarHBondContact OH-CA 3.35Å; G612-G614 PolarHBondContact O-N 3.03Å; G612-R615 WeakPolarHBondContact O-CB 3.32Å; G612-R615 PolarHBondContact O-N 3.36Å; G612-R615 PolarHBondContact O-NE 3.02Å; G612-R615 PolarHBondContact O-NH2 3.31Å
613	E	93	Very high	95.7	Very high	128 Å²	128	49.1 Å²	49.1	60%	0.598	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	42.1	174.9	-54.1	170.4	159.7	0	0	112.4	D464 Y610 R615	D464-E613 CarbonylContact O-C 3.56Å; Y610-E613 PolarHBondContact OH-N 3.49Å; E613-R615 PolarHBondContact O-N 3.46Å; E613-R615 IonicContact OE2-CZ 3.65Å; E613-R615 IonicContact OE2-NH1 3.33Å; E613-R615 PolarHBondContact OE2-NH1 3.32Å; E613-R615 IonicContact OE2-NH2 3.69Å; E613-R615 PolarHBondContact OE2-NH2 2.91Å
614	G	93.2	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	10	177.7	0	0	0	0	0	115.2	D464 F465 Y610 G612 W616	D464-G614 WeakPolarHBondContact O-CA 3.35Å; D464-G614 PolarHBondContact O-N 3.26Å; F465-G614 WeakPolarHBondContact CD2-O 3.49Å; Y610-G614 PolarHBondContact OH-N 3.23Å; G612-G614 PolarHBondContact O-N 3.03Å; G614-W616 VanDerWaalsContact O-CD1 3.23Å
615	R	96.7	Very high	96.3	Very high	14 Å²	14	43.5 Å²	43.5	5%	0.053	22%	0.224	C	C	.	.			trans	-85.9	120.1	179.1	-66.4	178.1	-68.5	-102.6	-10.4	112.3	V526 T527 I591 Y610 Y611 G612 E613	V526-R615 WeakPolarHBondContact O-CA 3.42Å; T527-R615 HydrophobicContact CG2-CG 4.05Å; I591-R615 HydrophobicContact CD1-CB 4.38Å; I591-R615 HydrophobicContact CG1-CB 4.07Å; I591-R615 HydrophobicContact CG1-CG 4.21Å; Y610-R615 WeakPolarHBondContact CD2-O 3.2Å; Y611-R615 PolarHBondContact N-O 2.97Å; Y611-R615 PolarHBondContact O-NE 3.29Å; Y611-R615 PolarHBondContact O-NH2 3.06Å; G612-R615 WeakPolarHBondContact O-CB 3.32Å; G612-R615 PolarHBondContact O-N 3.36Å; G612-R615 PolarHBondContact O-NE 3.02Å; G612-R615 PolarHBondContact O-NH2 3.31Å; E613-R615 PolarHBondContact O-N 3.46Å; E613-R615 IonicContact OE2-CZ 3.65Å; E613-R615 IonicContact OE2-NH1 3.33Å; E613-R615 PolarHBondContact OE2-NH1 3.32Å; E613-R615 IonicContact OE2-NH2 3.69Å; E613-R615 PolarHBondContact OE2-NH2 2.91Å
616	W	97.3	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.5	179.3	-65.1	89.4	0	0	0	111	L452 F458 H461 F525 V526 V600 L608 R609 Y610 G614	L452-W616 HydrophobicContact CD1-CD2 4.19Å; L452-W616 HydrophobicContact CD1-CE3 4.14Å; L452-W616 HydrophobicContact CD1-CG 4.46Å; L452-W616 HydrophobicContact CD2-CB 4.47Å; L452-W616 HydrophobicContact CD2-CG 4.45Å; F458-W616 HydrophobicContact CB-CZ2 4.37Å; F458-W616 HydrophobicContact CD2-CD2 4.28Å; F458-W616 AromaticContact CD2-CE2 3.6Å; F458-W616 AromaticContact CD2-CZ2 3.86Å; F458-W616 HydrophobicContact CD2-CZ2 3.86Å; F458-W616 AromaticContact CD2-NE1 3.45Å; F458-W616 AromaticContact CE2-CD1 3.95Å; F458-W616 AromaticContact CE2-NE1 3.56Å; H461-W616 HydrophobicContact CB-CZ2 4.02Å; F525-W616 CarbonylContact C-O 3.57Å; F525-W616 WeakPolarHBondContact CA-O 3.31Å; F525-W616 VanDerWaalsContact CB-O 3.27Å; F525-W616 WeakPolarHBondContact CB-O 3.26Å; V526-W616 HydrophobicContact CB-CB 4.4Å; V526-W616 PolarHBondContact N-O 3.13Å; V526-W616 PolarHBondContact O-N 3.26Å; V600-W616 HydrophobicContact CB-CZ3 4.11Å; V600-W616 HydrophobicContact CG1-CH2 4.43Å; V600-W616 HydrophobicContact CG1-CZ3 4.14Å; V600-W616 HydrophobicContact CG2-CH2 4.19Å; V600-W616 HydrophobicContact CG2-CZ3 3.77Å; L608-W616 HydrophobicContact CD1-CE3 4.01Å; L608-W616 HydrophobicContact CD2-CE3 4.03Å; L608-W616 HydrophobicContact CD2-CZ3 4.04Å; L608-W616 HydrophobicContact CG-CE3 3.97Å; L608-W616 HydrophobicContact CG-CZ3 4.25Å; R609-W616 WeakPolarHBondContact O-CA 3.28Å; Y610-W616 AromaticContact CD2-CD2 3.73Å; Y610-W616 HydrophobicContact CD2-CD2 3.73Å; Y610-W616 AromaticContact CD2-CE2 3.39Å; Y610-W616 HydrophobicContact CD2-CE3 4.17Å; Y610-W616 HydrophobicContact CD2-CG 4.26Å; Y610-W616 HydrophobicContact CD2-CH2 4.04Å; Y610-W616 AromaticContact CD2-CZ2 3.56Å; Y610-W616 HydrophobicContact CD2-CZ2 3.56Å; Y610-W616 HydrophobicContact CD2-CZ3 4.33Å; Y610-W616 AromaticContact CD2-NE1 3.77Å; Y610-W616 HydrophobicContact CE2-CD2 4.49Å; Y610-W616 AromaticContact CE2-CE2 3.81Å; Y610-W616 HydrophobicContact CE2-CZ2 4Å; Y610-W616 AromaticContact CE2-NE1 3.77Å; Y610-W616 HydrophobicContact CG-CH2 4.07Å; Y610-W616 HydrophobicContact CG-CZ2 4.01Å; Y610-W616 HydrophobicContact CG-CZ3 4.34Å; G614-W616 VanDerWaalsContact O-CD1 3.23Å
617	M	97.8	Very high	96.6	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.059	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	122.3	172.1	-175.4	174.9	-79.6	0	0	111	A523 L524 F525 L588 I591 R609 Y611	A523-M617 HydrophobicContact CB-CG 3.79Å; A523-M617 HydrophobicContact CB-SD 3.98Å; L524-M617 CarbonylContact O-C 3.54Å; L524-M617 WeakPolarHBondContact O-CA 3.46Å; F525-M617 HydrophobicContact CB-CB 4.23Å; F525-M617 HydrophobicContact CB-CE 4Å; F525-M617 HydrophobicContact CB-CG 4.26Å; F525-M617 HydrophobicContact CD1-CE 4.33Å; F525-M617 HydrophobicContact CG-CE 4.35Å; L588-M617 HydrophobicContact CD1-CE 3.71Å; I591-M617 HydrophobicContact CB-CE 4.2Å; I591-M617 HydrophobicContact CD1-CE 4.32Å; I591-M617 HydrophobicContact CG2-CB 4.41Å; I591-M617 HydrophobicContact CG2-CE 3.61Å; I591-M617 HydrophobicContact CG2-SD 4.19Å; R609-M617 PolarHBondContact N-O 2.96Å; R609-M617 PolarHBondContact O-N 2.85Å; Y611-M617 HydrophobicContact CD2-CB 4.44Å; Y611-M617 HydrophobicContact CE2-CB 4.02Å
618	L	98.1	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101.8	169.1	172.6	58.6	0	0	0	108.3	F448 A523 L524 M603 L605 G606 S607 L608 L620	F448-L618 HydrophobicContact CB-CD2 4.48Å; F448-L618 HydrophobicContact CD2-CB 4.28Å; F448-L618 HydrophobicContact CD2-CD2 3.5Å; F448-L618 VanDerWaalsContact CD2-CD2 3.5Å; F448-L618 HydrophobicContact CE1-CB 4.4Å; F448-L618 HydrophobicContact CE2-CB 3.71Å; F448-L618 HydrophobicContact CE2-CD2 3.8Å; F448-L618 HydrophobicContact CE2-CG 4.38Å; F448-L618 HydrophobicContact CG-CD2 3.95Å; F448-L618 HydrophobicContact CZ-CB 3.77Å; F448-L618 HydrophobicContact CZ-CD2 4.46Å; A523-L618 CarbonylContact C-O 3.51Å; A523-L618 WeakPolarHBondContact CA-O 3.29Å; A523-L618 WeakPolarHBondContact CB-O 3.47Å; L524-L618 PolarHBondContact N-O 2.98Å; L524-L618 PolarHBondContact O-N 2.88Å; M603-L618 HydrophobicContact CB-CD1 4.46Å; M603-L618 HydrophobicContact CG-CD1 4.5Å; M603-L618 HydrophobicContact SD-CD1 3.91Å; M603-L618 HydrophobicContact SD-CD2 4.37Å; L605-L618 HydrophobicContact CB-CD2 4.07Å; L605-L618 HydrophobicContact CD1-CD2 4.25Å; G606-L618 VanDerWaalsContact C-CD1 3.48Å; G606-L618 WeakPolarHBondContact O-CD1 3.48Å; S607-L618 WeakPolarHBondContact O-CA 3.45Å; L608-L618 HydrophobicContact CD1-CB 4.21Å; L618-L620 HydrophobicContact CD2-CD2 4.35Å; L618-L620 HydrophobicContact CG-CD2 4.29Å; L618-L620 PolarHBondContact O-N 2.68Å
619	G	97.6	Very high	96.7	Very high	28 Å²	28	40.1 Å²	40.1	29%	0.289	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114.5	172.5	0	0	0	0	0	109.7	G606 S607	G606-G619 CarbonylContact C-O 3.51Å; G606-G619 VanDerWaalsContact CA-O 3.32Å; G606-G619 WeakPolarHBondContact CA-O 3.41Å; S607-G619 PolarHBondContact N-O 3.33Å; S607-G619 PolarHBondContact O-N 2.78Å
620	L	97.9	Very high	96.7	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.115	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.9	-172.9	-63.8	172.2	0	0	0	111	T522 L605 L618 E622 I624	T522-L620 PolarHBondContact O-N 3.02Å; L605-L620 HydrophobicContact CB-CD2 4.21Å; L605-L620 WeakPolarHBondContact O-CA 3.39Å; L618-L620 HydrophobicContact CD2-CD2 4.35Å; L618-L620 HydrophobicContact CG-CD2 4.29Å; L618-L620 PolarHBondContact O-N 2.68Å; L620-E622 VanDerWaalsContact C-N 3.35Å; L620-I624 HydrophobicContact CD1-CD1 3.97Å; L620-I624 HydrophobicContact CD1-CG1 4.08Å
621	R	96.9	Very high	96.8	Very high	159 Å²	159	35.9 Å²	35.9	60%	0.6	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	-38.5	177.9	-174.2	179.6	-62.7	151.4	10.1	111.9	M603 E604 L605	M603-R621 PolarHBondContact O-NH2 3.15Å; E604-R621 PolarHBondContact O-NH1 2.76Å; E604-R621 PolarHBondContact O-NH2 3.37Å; L605-R621 PolarHBondContact O-N 2.84Å
622	E	97.1	Very high	96.9	Very high	155 Å²	155	34.4 Å²	34.4	72%	0.724	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.6	173.7	-66.9	-177.8	-172.9	0	0	108	L620	L620-E622 VanDerWaalsContact C-N 3.35Å
623	P	97.4	Very high	97	Very high	65 Å²	65	34.8 Å²	34.8	42%	0.422	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	141.6	179.4	-22.8	34	0	0	0	112.4	S520 L521 T522 C625	S520-P623 WeakPolarHBondContact OG-CB 3.41Å; L521-P623 CarbonylContact O-C 3.59Å; L521-P623 WeakPolarHBondContact O-CA 3.37Å; L521-P623 WeakPolarHBondContact O-CB 3.35Å; T522-P623 HydrophobicContact CG2-CB 4.27Å; T522-P623 HydrophobicContact CG2-CG 4.27Å; P623-C625 PolarHBondContact O-N 3.32Å
624	I	97.3	Very high	97.2	Very high	17 Å²	17	29.2 Å²	29.2	9%	0.087	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	104.7	172.7	-57.5	165.4	0	0	0	107.9	K440 V441 T444 L521 L620 A626	K440-I624 HydrophobicContact CD-CG2 4.49Å; V441-I624 HydrophobicContact CG2-CG2 4.26Å; T444-I624 HydrophobicContact CG2-CD1 4.03Å; L521-I624 HydrophobicContact CB-CB 4.1Å; L521-I624 PolarHBondContact N-O 3.34Å; L521-I624 PolarHBondContact O-N 2.99Å; L620-I624 HydrophobicContact CD1-CD1 3.97Å; L620-I624 HydrophobicContact CD1-CG1 4.08Å; I624-A626 PolarHBondContact O-N 2.84Å
625	C	96.8	Very high	97.1	Very high	63 Å²	63	29.6 Å²	29.6	43%	0.426	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	120.3	164.6	-70.1	0	0	0	0	109.9	E518 P623	E518-C625 VanDerWaalsContact CD-CB 3.48Å; E518-C625 HydrophobicContact CG-CB 3.91Å; E518-C625 PolarHBondContact OE1-SG 2.84Å; P623-C625 PolarHBondContact O-N 3.32Å
626	A	96.8	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	104.7	-174.9	0	0	0	0	0	111.2	L433 V437 L519 L521 I624 A628	L433-A626 HydrophobicContact CD2-CB 4.31Å; L433-A626 HydrophobicContact CG-CB 4.47Å; V437-A626 HydrophobicContact CG1-CB 3.52Å; L519-A626 HydrophobicContact CB-CB 4.36Å; L519-A626 PolarHBondContact N-O 3.02Å; L519-A626 PolarHBondContact O-N 3.42Å; L521-A626 HydrophobicContact CD1-CB 3.61Å; I624-A626 PolarHBondContact O-N 2.84Å; A626-A628 PolarHBondContact O-N 2.79Å
627	A	96.8	Very high	96	Very high	31 Å²	31	41 Å²	41	26%	0.256	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127	176.7	0	0	0	0	0	111.4	F434 V437	F434-A627 HydrophobicContact CD2-CB 4.01Å; F434-A627 HydrophobicContact CE2-CB 4.47Å; F434-A627 PolarHBondContact N-O 2.67Å; V437-A627 HydrophobicContact CG2-CB 4.25Å
628	A	97.8	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.3	-174.3	0	0	0	0	0	111.8	W431 F432 L433 V516 F517 L519 A626	W431-A628 HydrophobicContact CB-CB 3.92Å; F432-A628 CarbonylContact O-C 3.59Å; F432-A628 WeakPolarHBondContact O-CA 3.01Å; F432-A628 WeakPolarHBondContact O-CB 3.21Å; L433-A628 HydrophobicContact CD1-CB 3.99Å; L433-A628 HydrophobicContact CG-CB 4.35Å; V516-A628 WeakPolarHBondContact CA-O 3.34Å; F517-A628 PolarHBondContact N-O 3.03Å; F517-A628 PolarHBondContact O-N 2.97Å; L519-A628 HydrophobicContact CD1-CB 4.1Å; L519-A628 HydrophobicContact CG-CB 4.28Å; A626-A628 PolarHBondContact O-N 2.79Å
629	C	97.9	Very high	91.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.1	175.5	-171.2	0	0	0	0	110.6	V383 W431 F432 F434 S631	V383-C629 HydrophobicContact CG1-CB 3.65Å; W431-C629 CarbonylContact C-O 3.51Å; W431-C629 WeakPolarHBondContact CA-O 3.18Å; F432-C629 PolarHBondContact N-O 3.39Å; F432-C629 PolarHBondContact O-N 3.34Å; F434-C629 HydrophobicContact CE1-CB 4.23Å; F434-C629 HydrophobicContact CZ-CB 4.06Å; C629-S631 PolarHBondContact O-N 3.23Å
630	F	98.6	Very high	88.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	116.9	169.1	-174.3	-114.1	0	0	0	109.7	F429 G430 W431 T489 Y503 V509 C512 G514 S515 F517 L544	F429-F630 HydrophobicContact CB-CE2 4.41Å; F429-F630 HydrophobicContact CB-CZ 4.32Å; F429-F630 HydrophobicContact CD1-CZ 4.47Å; G430-F630 WeakPolarHBondContact O-CA 3.41Å; W431-F630 AromaticContact CD1-CD2 3.93Å; W431-F630 HydrophobicContact CD2-CD2 4.26Å; W431-F630 AromaticContact CE2-CD2 3.99Å; W431-F630 HydrophobicContact CG-CD2 4.22Å; W431-F630 AromaticContact NE1-CD2 3.75Å; T489-F630 HydrophobicContact CG2-CE2 3.99Å; Y503-F630 HydrophobicContact CE1-CZ 4.49Å; Y503-F630 WeakPolarHBondContact OH-CZ 3.44Å; V509-F630 HydrophobicContact CG1-CE1 4.03Å; V509-F630 HydrophobicContact CG1-CZ 4.17Å; C512-F630 HydrophobicContact CB-CD1 4.23Å; G514-F630 WeakPolarHBondContact CA-O 3.47Å; G514-F630 PolarHBondContact N-O 2.8Å; S515-F630 PolarHBondContact O-N 2.88Å; F517-F630 HydrophobicContact CD2-CB 3.9Å; F517-F630 HydrophobicContact CE2-CB 3.69Å; F517-F630 HydrophobicContact CE2-CG 4.46Å; L544-F630 HydrophobicContact CD1-CD1 4.07Å; L544-F630 HydrophobicContact CD1-CD2 4.19Å; L544-F630 HydrophobicContact CD1-CE1 4.22Å; L544-F630 HydrophobicContact CD1-CE2 4.35Å; L544-F630 HydrophobicContact CD1-CG 4.06Å; L544-F630 HydrophobicContact CD1-CZ 4.36Å; L544-F630 HydrophobicContact CD2-CE1 4Å; L544-F630 HydrophobicContact CD2-CZ 4.18Å
631	S	98.1	Very high	85.5	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-159.3	-173.4	-164.5	0	0	0	0	110.7	A384 F429 G430 Y513 C629	A384-S631 WeakPolarHBondContact O-CB 3.46Å; A384-S631 PolarHBondContact O-OG 3.14Å; F429-S631 WeakPolarHBondContact CA-O 3.32Å; G430-S631 PolarHBondContact N-O 2.98Å; G430-S631 VanDerWaalsContact N-O 3.09Å; G430-S631 PolarHBondContact O-N 3.31Å; Y513-S631 PolarHBondContact OH-OG 3.27Å; C629-S631 PolarHBondContact O-N 3.23Å
632	S	97.8	Very high	82.8	Confident	3 Å²	3	72 Å²	72	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.4	174	61.2	0	0	0	0	113.4	F386 Y428 Y513	F386-S632 WeakPolarHBondContact CD2-O 3.32Å; F386-S632 WeakPolarHBondContact CE2-O 3.39Å; Y428-S632 WeakPolarHBondContact O-CA 3.4Å; Y428-S632 VanDerWaalsContact O-CB 3.29Å; Y428-S632 WeakPolarHBondContact O-CB 3.07Å; Y513-S632 PolarHBondContact OH-N 3.29Å; Y513-S632 PolarHBondContact OH-OG 3.13Å
633	F	97.2	Very high	80	Confident	34 Å²	34	72.8 Å²	72.8	15%	0.149	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.1	-178.6	-177	-100.8	0	0	0	112	P426 L427 Y428 F432 G635	P426-F633 VanDerWaalsContact CB-O 3.3Å; P426-F633 WeakPolarHBondContact CB-O 3.27Å; L427-F633 HydrophobicContact CB-CD1 4.33Å; L427-F633 WeakPolarHBondContact CB-O 3.36Å; L427-F633 HydrophobicContact CD2-CD1 4.04Å; L427-F633 HydrophobicContact CD2-CE1 4.17Å; L427-F633 PolarHBondContact N-O 2.81Å; Y428-F633 HydrophobicContact CD1-CB 4.23Å; Y428-F633 HydrophobicContact CD1-CD1 4.26Å; Y428-F633 HydrophobicContact CD2-CB 4.2Å; Y428-F633 HydrophobicContact CE1-CB 3.71Å; Y428-F633 AromaticContact CE1-CD1 3.45Å; Y428-F633 HydrophobicContact CE1-CD1 3.45Å; Y428-F633 VanDerWaalsContact CE1-CD1 3.45Å; Y428-F633 HydrophobicContact CE1-CE1 4.27Å; Y428-F633 AromaticContact CE1-CG 3.81Å; Y428-F633 HydrophobicContact CE1-CG 3.81Å; Y428-F633 HydrophobicContact CE2-CB 3.68Å; Y428-F633 HydrophobicContact CE2-CG 4.42Å; Y428-F633 HydrophobicContact CG-CB 4.44Å; Y428-F633 AromaticContact CZ-CD1 3.8Å; Y428-F633 AromaticContact CZ-CG 3.65Å; Y428-F633 PolarHBondContact O-N 2.98Å; Y428-F633 WeakPolarHBondContact OH-CG 3.26Å; F432-F633 HydrophobicContact CE1-CB 4.12Å; F432-F633 HydrophobicContact CZ-CB 3.87Å; F633-G635 VanDerWaalsContact CE1-CA 3.49Å
634	Y	96.2	Very high	77.3	Confident	11 Å²	11	78.7 Å²	78.7	4%	0.043	37%	0.372	C	S	.	.			trans	-120.5	107.3	168.3	-67.3	-99.9	0	0	0	107.1	L370 A371 F386 T423 L425 P426 Y494	L370-Y634 HydrophobicContact CB-CD1 4.21Å; L370-Y634 HydrophobicContact CB-CG 4.06Å; L370-Y634 HydrophobicContact CD1-CD1 4.08Å; L370-Y634 HydrophobicContact CD1-CE1 4.06Å; A371-Y634 WeakPolarHBondContact CA-O 3.28Å; F386-Y634 HydrophobicContact CB-CE2 4.14Å; F386-Y634 HydrophobicContact CD1-CD2 4.08Å; F386-Y634 HydrophobicContact CD1-CE2 4.26Å; F386-Y634 AromaticContact CD2-CD2 3.68Å; F386-Y634 HydrophobicContact CD2-CD2 3.68Å; F386-Y634 AromaticContact CD2-CE2 3.84Å; F386-Y634 HydrophobicContact CD2-CE2 3.84Å; F386-Y634 HydrophobicContact CE1-CD2 4.06Å; F386-Y634 AromaticContact CE2-CD2 3.67Å; F386-Y634 HydrophobicContact CE2-CD2 3.67Å; F386-Y634 HydrophobicContact CE2-CE2 4.32Å; F386-Y634 AromaticContact CG-CD2 3.9Å; F386-Y634 HydrophobicContact CG-CD2 3.9Å; F386-Y634 AromaticContact CG-CE2 3.82Å; F386-Y634 HydrophobicContact CG-CE2 3.82Å; F386-Y634 AromaticContact CZ-CD2 3.86Å; F386-Y634 HydrophobicContact CZ-CD2 3.86Å; T423-Y634 WeakPolarHBondContact O-CE1 3.39Å; T423-Y634 PolarHBondContact O-OH 3.41Å; L425-Y634 WeakPolarHBondContact O-CE1 3.46Å; P426-Y634 HydrophobicContact CB-CD2 4.32Å; P426-Y634 HydrophobicContact CB-CE1 4.28Å; P426-Y634 HydrophobicContact CB-CE2 3.92Å; Y494-Y634 HydrophobicContact CE1-CD1 4.37Å
635	G	92	Very high	74.3	Confident	7 Å²	7	86.8 Å²	86.8	7%	0.072	41%	0.41	C	S	.	.			trans	-93.3	179.7	170.9	0	0	0	0	0	111.3	H367 A371 Y494 F633	H367-G635 PolarHBondContact CE1-O 2.88Å; H367-G635 PolarHBondContact NE2-O 2.87Å; A371-G635 WeakPolarHBondContact CB-O 3.39Å; Y494-G635 PolarHBondContact OH-O 3.3Å; Y494-G635 VanDerWaalsContact OH-O 3.12Å; F633-G635 VanDerWaalsContact CE1-CA 3.49Å
636	R	88.9	Confident	71	Confident	177 Å²	177	89 Å²	89	67%	0.668	43%	0.426	S	S	*	.			trans	-60.6	143.9	163.3	-75.3	178.4	-160.1	-173.5	12.6	109.5	H367 A371 E375	H367-R636 WeakPolarHBondContact NE2-CA 3.47Å; H367-R636 PolarHBondContact NE2-N 3.11Å; A371-R636 HydrophobicContact CB-CG 4.11Å; E375-R636 VanDerWaalsContact CD-NE 3.28Å; E375-R636 WeakPolarHBondContact OE1-CD 3.46Å; E375-R636 VanDerWaalsContact OE1-CG 3.26Å; E375-R636 WeakPolarHBondContact OE1-CG 3.29Å; E375-R636 IonicContact OE1-CZ 2.98Å; E375-R636 IonicContact OE1-NE 3.36Å; E375-R636 PolarHBondContact OE1-NE 3.33Å; E375-R636 IonicContact OE1-NH2 3.2Å; E375-R636 PolarHBondContact OE1-NH2 3.45Å; E375-R636 IonicContact OE2-CZ 3.4Å; E375-R636 VanDerWaalsContact OE2-CZ 3.31Å; E375-R636 IonicContact OE2-NE 2.76Å; E375-R636 PolarHBondContact OE2-NE 3.3Å; E375-R636 IonicContact OE2-NH2 3.28Å; E375-R636 PolarHBondContact OE2-NH2 3.15Å
637	K	80.7	Confident	67.9	Low	77 Å²	77	95 Å²	95	34%	0.335	47%	0.465	S	S	.	.			trans	-73.5	131.6	160.9	-81.3	159.2	178.4	152.5	0	106.8	H367 Y494 Q639	H367-K637 VanDerWaalsContact CG-NZ 3.31Å; H367-K637 VanDerWaalsContact ND1-CE 3.35Å; H367-K637 WeakPolarHBondContact ND1-CE 3.41Å; H367-K637 PolarHBondContact ND1-NZ 2.64Å; H367-K637 PolarHBondContact NE2-N 2.98Å; Y494-K637 HydrophobicContact CD2-CD 4.26Å; Y494-K637 HydrophobicContact CD2-CG 3.9Å; Y494-K637 HydrophobicContact CE2-CD 4.3Å; Y494-K637 HydrophobicContact CE2-CG 3.49Å; Y494-K637 VanDerWaalsContact CE2-CG 3.49Å; Y494-K637 VanDerWaalsContact CG-CE 3.47Å; K637-Q639 PolarHBondContact O-N 2.66Å
638	E	60.6	Low	64.8	Low	195 Å²	195	103.6 Å²	103.6	91%	0.911	50%	0.496	S	S	*	.			trans	-54.3	111.6	161.4	-66.2	180	171.6	0	0	107.5	E640	E638-E640 PolarHBondContact O-N 2.75Å
639	Q	42.9	Very low	61.6	Low	155 Å²	155	113.2 Å²	113.2	72%	0.724	54%	0.538	S	S	*	.			trans	-75.2	127.2	171.3	-68	-169.3	-2.9	0	0	107.2	K637 E641	K637-Q639 PolarHBondContact O-N 2.66Å; Q639-E641 VanDerWaalsContact C-N 3.31Å; Q639-E641 PolarHBondContact O-N 3.41Å
640	E	34.4	Very low	58.3	Low	170 Å²	170	121.9 Å²	121.9	79%	0.794	58%	0.579	S	S	*	*			trans	-61.1	96	165.1	-66.9	-176.6	156.9	0	0	108.2	E638 Q642	E638-E640 PolarHBondContact O-N 2.75Å; E640-Q642 PolarHBondContact O-N 3.17Å
641	E	32.8	Very low	55.2	Low	177 Å²	177	127.8 Å²	127.8	83%	0.827	62%	0.617	S	S	*	*			trans	-61.5	-4.8	179.1	-63.4	-163.5	123.7	0	0	113	Q639 Q643	Q639-E641 VanDerWaalsContact C-N 3.31Å; Q639-E641 PolarHBondContact O-N 3.41Å; E641-Q643 PolarHBondContact O-N 3.29Å
642	Q	40.7	Very low	52	Low	174 Å²	174	136.7 Å²	136.7	81%	0.813	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	46.4	178.9	-55.9	-169.1	29.9	0	0	114.3	E640	E640-Q642 PolarHBondContact O-N 3.17Å
643	Q	38.7	Very low	48.9	Very low	172 Å²	172	146.1 Å²	146.1	80%	0.804	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153	-7.1	161.5	-121.3	149.2	118.8	0	0	119.5	E641	E641-Q643 PolarHBondContact O-N 3.29Å
644	Q	39.7	Very low	46	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	74%	0.736	S	S	*	*	S	Bend	trans	-121.9	32.1	178	-64.7	-160.1	15.8	0	0	115.2
645	Q	35.4	Very low	43	Very low	187 Å²	187	163.4 Å²	163.4	87%	0.874	78%	0.775	S	S	*	*	S	Bend	trans	-145.4	54.9	169	-120.1	177.4	100.8	0	0	115.8
646	S	26.2	Very low	40.4	Very low	110 Å²	110	169.6 Å²	169.6	77%	0.769	81%	0.811	S	S	*	*			trans	-176.8	143.2	142.3	43.4	0	0	0	0	113.1
647	P	32.5	Very low	37.8	Very low	125 Å²	125	170.7 Å²	170.7	81%	0.812	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-75.7	132	171.8	30.4	-33.1	0	0	0	111.2	K649	P647-K649 PolarHBondContact O-N 3.12Å
648	K	31.7	Very low	35.5	Very low	213 Å²	213	176.5 Å²	176.5	93%	0.926	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-53.6	117.5	178.1	-71.2	174.8	177	171.1	0	111.8
649	K	31.1	Very low	34	Very low	202 Å²	202	173.6 Å²	173.6	88%	0.878	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-87.9	140	155	-77.2	-175.2	175.3	178	0	109.3	P647	P647-K649 PolarHBondContact O-N 3.12Å
650	E	29.1	Very low	33.6	Very low	182 Å²	182	170.9 Å²	170.9	85%	0.85	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-68.9	150.5	-178.8	-65.4	-173.3	114.4	0	0	112.5	E652	E650-E652 PolarHBondContact O-N 2.99Å; E650-E652 VanDerWaalsContact O-N 3.12Å
651	P	33.2	Very low	33.7	Very low	123 Å²	123	170.8 Å²	170.8	80%	0.799	85%	0.852	S	S	*	*			trans	-78.7	97	-176.6	30.9	-35	0	0	0	112.4
652	E	29.8	Very low	33.7	Very low	187 Å²	187	173.6 Å²	173.6	87%	0.874	87%	0.872	S	S	*	*			trans	-63	135.7	167	-80.4	-152.4	110.5	0	0	112.2	E650 K654	E650-E652 PolarHBondContact O-N 2.99Å; E650-E652 VanDerWaalsContact O-N 3.12Å; E652-K654 PolarHBondContact O-N 3.35Å
653	K	34.2	Very low	33.3	Very low	202 Å²	202	173.6 Å²	173.6	88%	0.878	88%	0.875	S	S	*	*			trans	-74.6	91.9	-173.9	-65.6	172.8	-178.3	171.3	0	111.5	K655	K653-K655 PolarHBondContact O-N 3.13Å; K653-K655 VanDerWaalsContact O-N 3.13Å
654	K	35.2	Very low	33	Very low	211 Å²	211	173.7 Å²	173.7	92%	0.917	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-56.7	116	171.7	-75.7	-173.7	176.8	178.7	0	110.9	E652	E652-K654 PolarHBondContact O-N 3.35Å
655	K	33.5	Very low	32.7	Very low	197 Å²	197	172.8 Å²	172.8	86%	0.857	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-72.5	136.2	174.4	-69.1	175.3	-179.5	170.7	0	110.2	K653 K657	K653-K655 PolarHBondContact O-N 3.13Å; K653-K655 VanDerWaalsContact O-N 3.13Å; K655-K657 PolarHBondContact O-N 3.49Å
656	V	38.1	Very low	32.5	Very low	137 Å²	137	172 Å²	172	83%	0.83	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-62.2	124.9	172.6	179.3	0	0	0	0	110
657	K	34	Very low	32.9	Very low	200 Å²	200	175.9 Å²	175.9	87%	0.87	89%	0.886	S	S	*	*			trans	-104.2	135.9	157.6	-73.7	-173.5	177.4	-179.1	0	108.1	K655	K655-K657 PolarHBondContact O-N 3.49Å
658	K	31.9	Very low	32.9	Very low	199 Å²	199	179.3 Å²	179.3	87%	0.865	89%	0.89	S	S	*	*			trans	-81.4	139.4	175.1	-63.9	178.4	177.2	-178.9	0	109.3
659	C	30	Very low	33	Very low	134 Å²	134	176.9 Å²	176.9	91%	0.905	89%	0.888	S	S	*	*			trans	-66.9	143.1	157.7	-58.8	0	0	0	0	109.1
660	A	33.4	Very low	33.2	Very low	98 Å²	98	174.9 Å²	174.9	81%	0.81	89%	0.889	S	S	*	*			trans	-113.6	144.6	163.9	0	0	0	0	0	107.6
661	I	35.6	Very low	33.5	Very low	167 Å²	167	174.3 Å²	174.3	86%	0.856	89%	0.892	S	S	*	*			trans	-89.9	128.2	179.4	-61	166.1	0	0	0	108.4
662	L	33.3	Very low	33.6	Very low	237 Å²	237	179 Å²	179	100%	1.241	90%	0.9	S	S	*	*			trans	-163.2	0	138.3	-107.3	166.8	0	0	0	109.4

Retrieved 662 of 662 residues in 162.1 ms (Link to these results)

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