X5D9B8_HUMAN Loading...

Ring finger and WD repeat domain 2 isoform H

AlphaFold DB , UniProt , Accession X5D9B8, Species HUMAN (Homo sapiens, Human), Gene RFWD2, Length 564 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	35.1	Very low	33.3	Very low	236 Å²	236	131.9 Å²	131.9	100%	1.163	85%	0.853	S	S	*	*				0	158.2	0	-73.7	164.8	157.7	0	0	108.4
2	S	36.1	Very low	33	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	86%	0.855	S	S	*	*			trans	27.7	118.9	162.9	50.8	0	0	0	0	118.1
3	G	31.8	Very low	32.8	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	85%	0.851	S	S	*	*				86	130	60.7	0	0	0	0	0	109.2
4	S	37	Very low	32.5	Very low	125 Å²	125	125.9 Å²	125.9	87%	0.874	85%	0.846	S	S	*	*			cis	-151.7	172.1	31.5	-72.4	0	0	0	0	115.2
5	R	35.2	Very low	32.5	Very low	225 Å²	225	124.7 Å²	124.7	85%	0.849	84%	0.84	S	S	*	*			trans	-61.4	176.9	162.3	-56.9	168.5	171.5	173	-5.3	110.2
6	Q	34.3	Very low	33.3	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	84%	0.84	S	S	*	*			cis	-164.5	176.1	28.6	-157.3	157.3	-25.2	0	0	112.6
7	A	33.6	Very low	33.1	Very low	95 Å²	95	122.3 Å²	122.3	79%	0.785	84%	0.838	S	S	*	*			trans	-16.7	158.2	170.7	0	0	0	0	0	120.7
8	G	30.4	Very low	33	Very low	74 Å²	74	122.6 Å²	122.6	76%	0.763	84%	0.841	S	S	*	*			cis	124.1	129.6	2.2	0	0	0	0	0	113.5
9	S	32.8	Very low	32.8	Very low	133 Å²	133	122.6 Å²	122.6	93%	0.93	84%	0.842	S	S	*	*			trans	-160.6	166.2	167.8	59.5	0	0	0	0	109
10	G	28.8	Very low	32.6	Very low	75 Å²	75	121.7 Å²	121.7	77%	0.773	84%	0.843	S	S	*	*			trans	-156.5	170	177.5	0	0	0	0	0	112.3
11	S	31.4	Very low	32.5	Very low	126 Å²	126	120.6 Å²	120.6	88%	0.881	84%	0.842	S	S	*	*			trans	-159	155	170.5	47.8	0	0	0	0	110
12	A	30	Very low	32.3	Very low	106 Å²	106	115.2 Å²	115.2	88%	0.876	83%	0.828	S	S	*	*			trans	-94.9	151.6	177.4	0	0	0	0	0	111.2
13	G	29.9	Very low	31.9	Very low	78 Å²	78	114.9 Å²	114.9	80%	0.804	83%	0.825	S	S	*	*			trans	-155.4	140	172.6	0	0	0	0	0	109.8
14	T	29.1	Very low	31.9	Very low	128 Å²	128	118.6 Å²	118.6	79%	0.785	83%	0.833	S	S	*	*			trans	-121.6	164.3	-168.8	54.3	0	0	0	0	112.8
15	S	31.7	Very low	31.4	Very low	107 Å²	107	118.8 Å²	118.8	75%	0.748	83%	0.829	S	S	*	*			trans	76.9	171.6	162.9	-38.5	0	0	0	0	115.5
16	P	45.7	Very low	31.2	Very low	131 Å²	131	113.8 Å²	113.8	85%	0.851	83%	0.829	S	S	*	*				-127.8	174.8	-64.8	37.4	-24.4	0	0	0	112
17	G	29.5	Very low	31	Very low	78 Å²	78	110.8 Å²	110.8	80%	0.804	83%	0.834	S	S	*	*			trans	-96.7	161.8	177.6	0	0	0	0	0	114.8
18	S	30.8	Very low	30.7	Very low	127 Å²	127	111.9 Å²	111.9	89%	0.888	84%	0.836	S	S	*	*			trans	-153.1	141.3	156.1	55.6	0	0	0	0	109.6
19	S	29.5	Very low	30.8	Very low	124 Å²	124	114.4 Å²	114.4	87%	0.867	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-102.3	127.8	-178.4	41.7	0	0	0	0	111
20	A	30	Very low	30.6	Very low	104 Å²	104	113.5 Å²	113.5	86%	0.86	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-82.4	142.2	-179.8	0	0	0	0	0	112.1
21	A	29.8	Very low	30.7	Very low	99 Å²	99	118.5 Å²	118.5	82%	0.818	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-84.3	134.8	165.6	0	0	0	0	0	109.9
22	S	31.2	Very low	30.6	Very low	123 Å²	123	117.7 Å²	117.7	86%	0.86	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-86.2	118.1	-177.5	36.9	0	0	0	0	112.3
23	S	26.5	Very low	30.7	Very low	110 Å²	110	117 Å²	117	77%	0.769	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.7	141.1	166.1	46.3	0	0	0	0	110.7
24	V	32.1	Very low	30.6	Very low	148 Å²	148	118.7 Å²	118.7	90%	0.897	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-98.2	124.7	176.4	-156.8	0	0	0	0	109
25	T	27.6	Very low	31.3	Very low	129 Å²	129	118.5 Å²	118.5	79%	0.791	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-93.2	152.8	-177	47.4	0	0	0	0	112.4
26	S	30.6	Very low	31.2	Very low	121 Å²	121	118.8 Å²	118.8	85%	0.846	83%	0.829	S	S	*	*			trans	-145.2	133.9	159	55.3	0	0	0	0	108.1
27	A	29	Very low	30.8	Very low	111 Å²	111	118.2 Å²	118.2	92%	0.917	83%	0.825	S	S	*	*			trans	-87.3	149.7	-163.8	0	0	0	0	0	114
28	S	27.9	Very low	31.5	Very low	117 Å²	117	120.2 Å²	120.2	82%	0.818	82%	0.824	S	S	*	*			trans	-116.7	117.5	168.5	48.2	0	0	0	0	110
29	S	32.8	Very low	31.4	Very low	127 Å²	127	119.6 Å²	119.6	89%	0.888	82%	0.82	S	S	*	*			trans	-85.8	123.8	171.5	42.9	0	0	0	0	110.2
30	S	29	Very low	31.5	Very low	114 Å²	114	120.3 Å²	120.3	80%	0.797	82%	0.818	S	S	*	*			trans	-103.7	140.2	179.8	50.3	0	0	0	0	112.1
31	L	30.2	Very low	31.3	Very low	181 Å²	181	119.8 Å²	119.8	95%	0.948	81%	0.814	S	S	*	*			trans	-138.1	146.6	161.5	-85.6	172.5	0	0	0	109
32	S	30.7	Very low	31.3	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	82%	0.815	S	S	*	*			trans	-100.6	179	-175.6	69.8	0	0	0	0	110.6
33	S	30.3	Very low	31.1	Very low	92 Å²	92	121.5 Å²	121.5	64%	0.643	81%	0.814	S	S	*	*			cis	-170.7	139.4	8.7	11.7	0	0	0	0	110.8
34	S	29.5	Very low	31.1	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	82%	0.815	S	S	*	*			trans	62.1	169.9	144.2	-51	0	0	0	0	120.1
35	P	42.2	Very low	30.8	Very low	124 Å²	124	118.7 Å²	118.7	81%	0.805	81%	0.813	S	S	*	*			cis	-125.4	171.4	-24.6	36.8	-21.2	0	0	0	114.5
36	S	29.9	Very low	30.8	Very low	112 Å²	112	116.8 Å²	116.8	78%	0.783	81%	0.81	S	S	*	*			trans	-83.8	156.7	164.2	-37.3	0	0	0	0	111.7
37	P	38.6	Very low	30.6	Very low	119 Å²	119	118.8 Å²	118.8	77%	0.773	81%	0.811	S	S	*	*				-157.6	-161.9	94.6	42.5	-23.1	0	0	0	113.6
38	P	42.4	Very low	30.7	Very low	121 Å²	121	120 Å²	120	79%	0.786	81%	0.806	S	S	*	*			cis	-120.6	-173.7	-41.6	26.4	-5.6	0	0	0	112.6
39	S	30.4	Very low	30.8	Very low	113 Å²	113	119.7 Å²	119.7	79%	0.79	80%	0.804	S	S	*	*			trans	-78.7	157	174.7	50.8	0	0	0	0	114.9
40	V	30.3	Very low	30.5	Very low	139 Å²	139	117.2 Å²	117.2	84%	0.842	80%	0.798	S	S	*	*			trans	-134.3	136.6	161	-176.6	0	0	0	0	108.7
41	A	26.5	Very low	30.4	Very low	94 Å²	94	115.3 Å²	115.3	78%	0.777	80%	0.797	S	S	*	*			trans	-111.8	150.1	174.5	0	0	0	0	0	110.6
42	V	29.1	Very low	30.4	Very low	138 Å²	138	113.7 Å²	113.7	84%	0.836	79%	0.794	S	S	*	*			trans	-137.4	131.1	173.2	-177.9	0	0	0	0	109.5
43	S	26.8	Very low	30.3	Very low	120 Å²	120	113 Å²	113	84%	0.839	80%	0.795	S	S	*	*			trans	-132.9	119.8	177	-64	0	0	0	0	110.8
44	A	27.3	Very low	30.4	Very low	96 Å²	96	117.5 Å²	117.5	79%	0.793	81%	0.806	S	S	*	*			trans	-164.4	136.3	157.8	0	0	0	0	0	108.1
45	A	26.9	Very low	30.5	Very low	102 Å²	102	116.2 Å²	116.2	84%	0.843	80%	0.803	S	S	*	*			cis	108.6	96	12.2	0	0	0	0	0	115.2
46	A	26.6	Very low	29.9	Very low	89 Å²	89	115.5 Å²	115.5	74%	0.736	81%	0.807	S	S	*	*			trans	-156.1	129.7	156.6	0	0	0	0	0	106.4
47	L	27	Very low	29.8	Very low	164 Å²	164	113.1 Å²	113.1	86%	0.859	80%	0.801	S	S	*	*				66.9	132.7	59.1	-58	170.4	0	0	0	112.1
48	V	29.8	Very low	29.5	Very low	135 Å²	135	114 Å²	114	82%	0.818	81%	0.809	S	S	*	*			cis	-165.1	160.7	-6.8	121.1	0	0	0	0	106
49	S	29.8	Very low	28.8	Very low	112 Å²	112	112 Å²	112	78%	0.783	81%	0.811	S	S	*	*			cis	-134	-161	18.6	70.9	0	0	0	0	110.6
50	G	27.1	Very low	28.7	Very low	74 Å²	74	110.6 Å²	110.6	76%	0.763	81%	0.814	S	S	*	*			cis	137.3	133.8	-12.4	0	0	0	0	0	114.8
51	G	27.3	Very low	28.8	Very low	75 Å²	75	112.9 Å²	112.9	77%	0.773	82%	0.821	S	S	*	*			trans	108.5	118.1	179	0	0	0	0	0	113.9
52	V	29.5	Very low	28.8	Very low	146 Å²	146	112.2 Å²	112.2	89%	0.885	82%	0.822	S	S	*	*			cis	105.6	93.4	8	-172.3	0	0	0	0	116.9
53	A	29.8	Very low	28.9	Very low	94 Å²	94	108.9 Å²	108.9	78%	0.777	82%	0.816	S	S	*	*			trans	-170.8	132.8	145.3	0	0	0	0	0	106.4
54	Q	31	Very low	29.6	Very low	186 Å²	186	109.5 Å²	109.5	87%	0.869	82%	0.817	S	S	*	*			cis	67	132.3	38.8	-72.2	-158.3	-0.3	0	0	115
55	A	31.7	Very low	29.7	Very low	88 Å²	88	111.3 Å²	111.3	73%	0.727	82%	0.818	S	S	*	*			cis	-164.9	175.6	-8	0	0	0	0	0	112.6
56	A	30.7	Very low	29.9	Very low	108 Å²	108	117.9 Å²	117.9	89%	0.893	82%	0.821	S	S	*	*			trans	71	147.7	162.7	0	0	0	0	0	119.2
57	G	28.2	Very low	30.3	Very low	63 Å²	63	119 Å²	119	65%	0.649	82%	0.821	S	S	*	*			cis	166.7	157.8	-10.8	0	0	0	0	0	115.2
58	S	31	Very low	30.3	Very low	137 Å²	137	117 Å²	117	96%	0.958	82%	0.816	S	S	*	*			trans	61.6	150.3	173.9	68.2	0	0	0	0	117.5
59	G	28.2	Very low	30.1	Very low	79 Å²	79	118.7 Å²	118.7	81%	0.814	82%	0.819	S	S	*	*			cis	166.6	152.9	-7.5	0	0	0	0	0	111.2
60	G	28.4	Very low	30	Very low	83 Å²	83	119.7 Å²	119.7	86%	0.856	82%	0.82	S	S	*	*			trans	161.4	137.5	175.7	0	0	0	0	0	114.3
61	L	31.5	Very low	30	Very low	188 Å²	188	120.4 Å²	120.4	98%	0.984	82%	0.819	S	S	*	*			trans	-111.1	145.9	179.7	-70.2	163.7	0	0	0	110.6
62	G	28.2	Very low	30.2	Very low	79 Å²	79	123 Å²	123	81%	0.814	82%	0.822	S	S	*	*			trans	-161.1	124.5	174.4	0	0	0	0	0	112.3
63	G	31.1	Very low	30	Very low	68 Å²	68	120.3 Å²	120.3	70%	0.701	82%	0.815	S	S	*	*			trans	-82.8	173.8	-178.3	0	0	0	0	0	114.7
64	P	39.8	Very low	29.9	Very low	134 Å²	134	122.5 Å²	122.5	87%	0.87	82%	0.819	S	S	*	*			trans	-85.2	152.9	-167.1	34.1	-36.7	0	0	0	114.4
65	V	30.3	Very low	29.8	Very low	134 Å²	134	119.2 Å²	119.2	81%	0.812	82%	0.816	S	S	*	*			trans	-131.9	123	171.7	179.8	0	0	0	0	111
66	R	31.1	Very low	29.5	Very low	240 Å²	240	118.5 Å²	118.5	91%	0.906	82%	0.817	S	S	*	*			trans	-100.3	143.4	152.8	-82.6	179.5	162	-166.9	-4.2	107.1
67	P	35.2	Very low	29.4	Very low	113 Å²	113	119.9 Å²	119.9	73%	0.734	82%	0.82	S	S	*	*				-135.4	-167.9	93.5	36.7	-21.1	0	0	0	110.4
68	V	27.4	Very low	29.3	Very low	122 Å²	122	120.8 Å²	120.8	74%	0.739	83%	0.83	S	S	*	*			cis	-135.9	164.5	5.8	-161.9	0	0	0	0	108.9	V70	V68-V70 HydrophobicContact CG1-CG2 4.13Å
69	L	24.8	Very low	29	Very low	169 Å²	169	118.5 Å²	118.5	89%	0.885	83%	0.828	S	S	*	*			trans	-126.4	135.2	159.4	-114.2	170.1	0	0	0	108
70	V	28.5	Very low	28.9	Very low	133 Å²	133	118.8 Å²	118.8	81%	0.806	83%	0.831	S	S	*	*			trans	-126.7	124.6	175.5	-178.7	0	0	0	0	109.2	V68	V68-V70 HydrophobicContact CG1-CG2 4.13Å
71	A	26.7	Very low	28.7	Very low	89 Å²	89	119.5 Å²	119.5	74%	0.736	83%	0.829	S	S	*	*			trans	-149.6	144.2	171.5	0	0	0	0	0	109
72	P	30.5	Very low	28.6	Very low	130 Å²	130	117.2 Å²	117.2	84%	0.844	82%	0.822	S	S	*	*			trans	-97.9	126.3	165.9	33.4	-27.2	0	0	0	111.7
73	A	25	Very low	28.5	Very low	90 Å²	90	118.1 Å²	118.1	74%	0.744	82%	0.816	S	S	*	*			trans	-97.5	176	149.9	0	0	0	0	0	107.8
74	V	28.4	Very low	28.3	Very low	140 Å²	140	121.3 Å²	121.3	85%	0.848	82%	0.822	S	S	*	*			cis	-127.1	-148.3	4.4	-144.1	0	0	0	0	106.9
75	S	28.4	Very low	27.7	Very low	117 Å²	117	118.1 Å²	118.1	82%	0.818	81%	0.813	S	S	*	*			cis	-161.6	169.8	-4.7	25.8	0	0	0	0	106.7
76	G	26.7	Very low	28.2	Very low	73 Å²	73	117.4 Å²	117.4	75%	0.753	81%	0.812	S	S	*	*			cis	-174.7	176.2	-0.9	0	0	0	0	0	110.3
77	S	27.4	Very low	28.1	Very low	136 Å²	136	110.4 Å²	110.4	95%	0.951	80%	0.799	S	S	*	*			trans	-77.5	152.7	-167.8	-46.5	0	0	0	0	115.7
78	G	26	Very low	27.7	Very low	83 Å²	83	114.9 Å²	114.9	86%	0.856	80%	0.802	S	S	*	*			trans	-179.9	132.1	164.2	0	0	0	0	0	112.1
79	G	25.2	Very low	27.8	Very low	88 Å²	88	116.7 Å²	116.7	91%	0.907	80%	0.802	S	S	*	*			trans	-123.8	166.9	176.5	0	0	0	0	0	111.9
80	G	25.3	Very low	27.8	Very low	86 Å²	86	113.4 Å²	113.4	89%	0.887	79%	0.793	S	S	*	*			trans	156.7	143	177.8	0	0	0	0	0	111.5
81	A	26	Very low	27.6	Very low	98 Å²	98	112.7 Å²	112.7	81%	0.81	79%	0.792	S	S	*	*			trans	-119.9	162.1	177.7	0	0	0	0	0	110.3
82	V	27.7	Very low	27.6	Very low	139 Å²	139	113 Å²	113	84%	0.842	80%	0.795	S	S	*	*			trans	177.6	164.5	134.6	147.5	0	0	0	0	110
83	S	26.3	Very low	27.4	Very low	98 Å²	98	111.7 Å²	111.7	69%	0.685	80%	0.795	S	S	*	*			trans	-52.5	160.1	-176.1	52.5	0	0	0	0	115.1
84	T	28.1	Very low	27.5	Very low	135 Å²	135	118.8 Å²	118.8	83%	0.828	80%	0.803	S	S	*	*				-156.5	151.6	61.6	39.6	0	0	0	0	116
85	G	25.8	Very low	28	Very low	67 Å²	67	117.5 Å²	117.5	69%	0.691	80%	0.797	S	S	*	*			trans	-99	-157.7	156.1	0	0	0	0	0	110.6
86	P	41.5	Very low	28	Very low	120 Å²	120	117.1 Å²	117.1	78%	0.779	80%	0.795	S	S	*	*			cis	-119.7	-162.5	12.8	29.2	-4.2	0	0	0	110.7
87	S	28.1	Very low	28	Very low	92 Å²	92	119 Å²	119	64%	0.643	80%	0.803	S	S	*	*			cis	-160	146.9	22.2	-41	0	0	0	0	113.7
88	R	28.8	Very low	28	Very low	207 Å²	207	115.9 Å²	115.9	78%	0.781	79%	0.793	S	S	*	*				46.7	143.2	119.5	-60.8	178.1	176.1	-152.3	-0.8	119.8
89	H	28.3	Very low	28.1	Very low	161 Å²	161	119.4 Å²	119.4	75%	0.745	80%	0.797	S	S	*	*			cis	-150.1	172.8	8.1	-111.5	-29.5	0	0	0	111.2
90	S	24.5	Very low	28.2	Very low	99 Å²	99	119 Å²	119	69%	0.692	79%	0.793	S	S	*	*			trans	-131.3	173.5	-171	57.6	0	0	0	0	113.5
91	C	25.8	Very low	28.3	Very low	118 Å²	118	118.3 Å²	118.3	80%	0.797	79%	0.786	S	S	*	*			trans	77.4	107.6	155.8	-63.6	0	0	0	0	120.5
92	A	25.5	Very low	28.3	Very low	97 Å²	97	119.2 Å²	119.2	80%	0.802	79%	0.787	S	S	*	*				105.4	151.8	106.6	0	0	0	0	0	121.9
93	A	26.2	Very low	28.3	Very low	101 Å²	101	118.1 Å²	118.1	84%	0.835	79%	0.785	S	S	*	*			trans	79.8	120.3	151.8	0	0	0	0	0	121.7
94	R	28.1	Very low	28.3	Very low	239 Å²	239	118.1 Å²	118.1	90%	0.902	79%	0.785	S	S	*	*			trans	-61.3	169.7	148.9	-81.1	180	166.5	-158.1	-2.5	110.6
95	P	38.2	Very low	28.2	Very low	113 Å²	113	116.5 Å²	116.5	73%	0.734	78%	0.779	S	S	*	*			cis	-154.5	177.8	33.9	46	-25.2	0	0	0	120.6
96	S	27.7	Very low	28.3	Very low	110 Å²	110	121.6 Å²	121.6	77%	0.769	79%	0.789	S	S	*	*			trans	70.8	125.5	142	-68.2	0	0	0	0	124.8
97	A	28.1	Very low	27.5	Very low	111 Å²	111	119.2 Å²	119.2	92%	0.917	79%	0.787	S	S	*	*			trans	76.1	141.8	134.7	0	0	0	0	0	122.1
98	G	27.1	Very low	27.4	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	80%	0.802	S	S	*	*			trans	165.9	148.1	175.4	0	0	0	0	0	111
99	V	28.8	Very low	27.3	Very low	156 Å²	156	114.7 Å²	114.7	95%	0.945	80%	0.797	S	S	*	*			trans	-144.6	143.2	-170	-177	0	0	0	0	112.8
100	G	26.5	Very low	27.3	Very low	79 Å²	79	112.3 Å²	112.3	81%	0.814	80%	0.799	S	S	*	*			trans	99	154.7	167.9	0	0	0	0	0	115.5
101	G	26.3	Very low	27.6	Very low	73 Å²	73	118.7 Å²	118.7	75%	0.753	81%	0.808	S	S	*	*			cis	172	142.9	-10.7	0	0	0	0	0	114.5
102	S	26.3	Very low	27.7	Very low	117 Å²	117	123.4 Å²	123.4	82%	0.818	81%	0.814	S	S	*	*			trans	59	140.3	155.4	-58.8	0	0	0	0	123.5
103	S	27.6	Very low	27.8	Very low	116 Å²	116	129.4 Å²	129.4	81%	0.811	82%	0.817	S	S	*	*			trans	71	154.8	154.3	75.4	0	0	0	0	119.4
104	S	26.9	Very low	28.1	Very low	98 Å²	98	130 Å²	130	69%	0.685	81%	0.812	S	S	*	*			cis	-169.2	140.9	-29.7	51.3	0	0	0	0	113.6
105	S	26.4	Very low	28	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	81%	0.81	S	S	*	*			trans	70.4	146.6	145.5	75.5	0	0	0	0	123.3
106	L	28	Very low	27.4	Very low	174 Å²	174	128.3 Å²	128.3	91%	0.911	81%	0.813	S	S	*	*			trans	76.1	128.1	154.2	-67.4	159.9	0	0	0	121.8
107	G	25.2	Very low	27.8	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	81%	0.813	S	S	*	*				128.4	59	117.7	0	0	0	0	0	123.4
108	S	26.1	Very low	28.1	Very low	138 Å²	138	127.8 Å²	127.8	97%	0.965	81%	0.806	S	S	*	*			trans	60.2	150.8	149.1	-160.9	0	0	0	0	121.4
109	G	26.8	Very low	28.6	Very low	66 Å²	66	132 Å²	132	68%	0.68	81%	0.81	S	S	*	*			trans	137.3	61.1	152.4	0	0	0	0	0	122.2
110	S	27.6	Very low	28.8	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	80%	0.801	S	S	*	*			trans	58.2	122	146.3	-74.1	0	0	0	0	123.9
111	R	29.6	Very low	29	Very low	234 Å²	234	134.3 Å²	134.3	88%	0.883	81%	0.806	S	S	*	*			trans	69.6	100.8	141.2	-59.5	177.1	-177.8	-170.9	0.7	120.4
112	K	28.6	Very low	29.1	Very low	216 Å²	216	133.9 Å²	133.9	94%	0.939	80%	0.802	S	S	*	*				-165.5	160.6	103	-102.1	166.8	-175.5	178.1	0	112
113	R	28.9	Very low	29.4	Very low	224 Å²	224	136.9 Å²	136.9	85%	0.845	81%	0.808	S	S	*	*			trans	-80.2	160.1	179.5	-109	179.4	-173.1	-177.5	2.1	110.4
114	P	31.1	Very low	29.5	Very low	113 Å²	113	138.5 Å²	138.5	73%	0.734	81%	0.805	S	S	*	*				-146.1	166.5	58.9	41.5	-22.9	0	0	0	119.3
115	L	25.9	Very low	29.7	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	80%	0.804	S	S	*	*			trans	65.2	143.7	164.3	-65.3	167.6	0	0	0	119.2
116	L	26	Very low	29.9	Very low	150 Å²	150	140.6 Å²	140.6	79%	0.785	81%	0.81	S	S	*	*			trans	-110.8	138.3	179.3	-92	73.5	0	0	0	110.7
117	A	36.4	Very low	30.6	Very low	95 Å²	95	140.9 Å²	140.9	79%	0.785	80%	0.801	S	S	*	*				-108.2	154.6	120.7	0	0	0	0	0	106.6
118	P	33.8	Very low	31.2	Very low	116 Å²	116	145.2 Å²	145.2	75%	0.753	80%	0.802	S	S	*	*				-149.8	-174.4	87.1	40.2	-21.6	0	0	0	115.1
119	L	37.4	Very low	31.9	Very low	160 Å²	160	146.3 Å²	146.3	84%	0.838	80%	0.797	S	S	*	*			trans	-84	157.4	-176.6	-73	151.4	0	0	0	115.1
120	C	33.1	Very low	32.5	Very low	112 Å²	112	152.1 Å²	152.1	76%	0.757	80%	0.804	S	S	*	*			trans	34.3	132	142.2	-57.6	0	0	0	0	123.1
121	N	31.4	Very low	33.4	Very low	172 Å²	172	151.5 Å²	151.5	92%	0.92	80%	0.8	S	S	*	*			trans	-155.3	153	134.7	-104.5	-10.5	0	0	0	107.1
122	G	28.5	Very low	34.1	Very low	64 Å²	64	146.2 Å²	146.2	66%	0.66	79%	0.789	S	S	*	*			cis	148.3	89.1	-1.3	0	0	0	0	0	111.4
123	L	31.8	Very low	34.8	Very low	180 Å²	180	142.1 Å²	142.1	94%	0.942	78%	0.777	S	S	*	*			trans	-140.6	151	171.3	-83	177.3	0	0	0	110.3
124	I	30.8	Very low	35.5	Very low	149 Å²	149	138 Å²	138	76%	0.764	77%	0.766	S	S	*	*			trans	-117.7	131.6	-164.7	-74.2	176.5	0	0	0	112
125	N	31	Very low	36.2	Very low	122 Å²	122	134.4 Å²	134.4	65%	0.652	74%	0.742	S	S	*	*			trans	49.5	119.9	159	-58.6	-4	0	0	0	120.4
126	S	29.4	Very low	37	Very low	120 Å²	120	127.7 Å²	127.7	84%	0.839	71%	0.708	S	S	*	*				-116.4	153.2	100.1	65	0	0	0	0	109
127	Y	42.2	Very low	37.6	Very low	180 Å²	180	125.6 Å²	125.6	71%	0.706	70%	0.703	S	S	*	*			trans	-78	154.8	-168.5	-114.6	-136.7	0	0	0	114.1
128	E	38.1	Very low	37.8	Very low	162 Å²	162	126.3 Å²	126.3	76%	0.757	69%	0.693	S	S	*	*	S	Bend	trans	76.9	147.2	155.3	-67.9	161.5	176.3	0	0	121.1
129	D	41	Very low	37.9	Very low	160 Å²	160	124.3 Å²	124.3	86%	0.856	68%	0.681	S	S	*	*	S	Bend	trans	78	11.1	153.9	-95.2	16.8	0	0	0	125.1
130	K	40.2	Very low	38.5	Very low	188 Å²	188	121.7 Å²	121.7	82%	0.817	66%	0.663	S	S	*	*			trans	-136	42.2	177.7	-67.3	-164.7	175.9	-173.1	0	118.6
131	S	45.3	Very low	38.7	Very low	99 Å²	99	122 Å²	122	69%	0.692	66%	0.657	S	S	*	*	S	Bend	trans	-121.1	21.7	178.9	71	0	0	0	0	115.6
132	N	44.4	Very low	39.1	Very low	122 Å²	122	120.2 Å²	120.2	65%	0.652	65%	0.645	S	S	*	*	S	Bend	trans	-115.3	-15.8	-177.5	-70	-46.9	0	0	0	114.7	F134 V135	N132-F134 PolarHBondContact O-N 3.23Å; N132-V135 WeakPolarHBondContact O-CB 3.04Å; N132-V135 PolarHBondContact O-N 3.14Å
133	D	43.3	Very low	39.8	Very low	130 Å²	130	121.5 Å²	121.5	70%	0.695	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-16.3	-164.2	-58.5	-30.1	0	0	0	114.6
134	F	45.1	Very low	40.1	Very low	139 Å²	139	121.4 Å²	121.4	61%	0.61	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	17.3	-179.9	-62.8	-77.9	0	0	0	112.7	N132 M142 I143	N132-F134 PolarHBondContact O-N 3.23Å; F134-M142 HydrophobicContact CB-CG 3.81Å; F134-M142 CarbonylContact O-C 3.57Å; F134-M142 WeakPolarHBondContact O-CA 3.47Å; F134-I143 WeakPolarHBondContact O-CG1 3.27Å; F134-I143 PolarHBondContact O-N 2.67Å
135	V	45.1	Very low	40.3	Very low	37 Å²	37	123.5 Å²	123.5	22%	0.224	64%	0.637	C	S	.	*	B	Isolated β-bridge	trans	-105.1	123.9	-162	177.2	0	0	0	0	112.1	N132 F140 D141	N132-V135 WeakPolarHBondContact O-CB 3.04Å; N132-V135 PolarHBondContact O-N 3.14Å; V135-F140 VanDerWaalsContact CG1-CA 3.48Å; V135-F140 HydrophobicContact CG1-CB 3.88Å; V135-F140 HydrophobicContact CG1-CD1 3.81Å; V135-F140 HydrophobicContact CG1-CG 4.31Å; V135-F140 WeakPolarHBondContact CG1-O 3.44Å; V135-D141 CarbonylContact C-O 3.6Å; V135-D141 WeakPolarHBondContact CA-O 3.36Å
136	C	42.8	Very low	40.7	Very low	24 Å²	24	121.6 Å²	121.6	16%	0.162	64%	0.638	C	S	.	*			trans	-52.7	119.4	178.6	172.9	0	0	0	0	112.6	I138 C139 F140 D141	C136-I138 PolarHBondContact O-N 3.01Å; C136-I138 VanDerWaalsContact O-N 3.1Å; C136-C139 HydrophobicContact CB-CB 4.23Å; C136-C139 WeakPolarHBondContact CB-SG 3.26Å; C136-C139 PolarHBondContact O-N 3.23Å; C136-C139 WeakPolarHBondContact SG-CB 3.28Å; C136-C139 PolarHBondContact SG-N 3.29Å; C136-C139 CovalentContact SG-SG 2.05Å; C136-C139 PolarHBondContact SG-SG 3.19Å; C136-F140 WeakPolarHBondContact O-CA 3.38Å; C136-F140 PolarHBondContact O-N 2.92Å; C136-D141 WeakPolarHBondContact CB-O 3.23Å; C136-D141 PolarHBondContact N-O 2.87Å
137	P	39.3	Very low	41	Very low	106 Å²	106	126.8 Å²	126.8	69%	0.688	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-5.8	-174.7	28.5	-35.5	0	0	0	115.1	F140	P137-F140 WeakPolarHBondContact O-CZ 3.31Å
138	I	39.3	Very low	40.6	Very low	111 Å²	111	124.5 Å²	124.5	57%	0.569	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-35.6	176.4	-60.1	176.8	0	0	0	111.4	C136	C136-I138 PolarHBondContact O-N 3.01Å; C136-I138 VanDerWaalsContact O-N 3.1Å
139	C	37	Very low	40.5	Very low	74 Å²	74	122.5 Å²	122.5	50%	0.5	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.8	-15.4	-167.8	63.2	0	0	0	0	114.9	C136 D141	C136-C139 HydrophobicContact CB-CB 4.23Å; C136-C139 WeakPolarHBondContact CB-SG 3.26Å; C136-C139 PolarHBondContact O-N 3.23Å; C136-C139 WeakPolarHBondContact SG-CB 3.28Å; C136-C139 PolarHBondContact SG-N 3.29Å; C136-C139 CovalentContact SG-SG 2.05Å; C136-C139 PolarHBondContact SG-SG 3.19Å; C139-D141 PolarHBondContact O-N 2.78Å
140	F	49.9	Very low	40.1	Very low	105 Å²	105	125.4 Å²	125.4	46%	0.461	64%	0.642	S	S	.	*			trans	58.3	22.3	176.4	-56.6	-84.7	0	0	0	117	V135 C136 P137	V135-F140 VanDerWaalsContact CG1-CA 3.48Å; V135-F140 HydrophobicContact CG1-CB 3.88Å; V135-F140 HydrophobicContact CG1-CD1 3.81Å; V135-F140 HydrophobicContact CG1-CG 4.31Å; V135-F140 WeakPolarHBondContact CG1-O 3.44Å; C136-F140 WeakPolarHBondContact O-CA 3.38Å; C136-F140 PolarHBondContact O-N 2.92Å; P137-F140 WeakPolarHBondContact O-CZ 3.31Å
141	D	37.7	Very low	39.9	Very low	118 Å²	118	118.9 Å²	118.9	63%	0.631	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-86.6	161.4	164.1	-81.2	-48.6	0	0	0	113.2	V135 C136 C139	V135-D141 CarbonylContact C-O 3.6Å; V135-D141 WeakPolarHBondContact CA-O 3.36Å; C136-D141 WeakPolarHBondContact CB-O 3.23Å; C136-D141 PolarHBondContact N-O 2.87Å; C139-D141 PolarHBondContact O-N 2.78Å
142	M	39.4	Very low	39.8	Very low	134 Å²	134	116.2 Å²	116.2	66%	0.66	61%	0.608	S	S	*	*	B	Isolated β-bridge	trans	-88.8	135.2	-177.3	-162.8	168.3	65.7	0	0	112.2	F134	F134-M142 HydrophobicContact CB-CG 3.81Å; F134-M142 CarbonylContact O-C 3.57Å; F134-M142 WeakPolarHBondContact O-CA 3.47Å
143	I	43.8	Very low	39.6	Very low	92 Å²	92	116.8 Å²	116.8	47%	0.472	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-83.7	122.4	-173.9	-60.6	163.3	0	0	0	111.3	F134	F134-I143 WeakPolarHBondContact O-CG1 3.27Å; F134-I143 PolarHBondContact O-N 2.67Å
144	E	36.3	Very low	39.5	Very low	178 Å²	178	115.1 Å²	115.1	83%	0.832	61%	0.605	S	S	*	*			trans	-99.1	-42	-172.9	-60.2	-168.4	139.5	0	0	115.4
145	E	36	Very low	39.4	Very low	192 Å²	192	115.5 Å²	115.5	90%	0.897	61%	0.606	S	S	*	*	S	Bend	trans	-140	158.7	173	-72.7	-163.7	159.3	0	0	111.8
146	A	39.9	Very low	38.8	Very low	82 Å²	82	118.3 Å²	118.3	68%	0.678	63%	0.627	S	S	*	*			trans	-124	140.1	-163.1	0	0	0	0	0	115.5
147	Y	34.5	Very low	38	Very low	229 Å²	229	119.7 Å²	119.7	90%	0.898	64%	0.637	S	S	*	*			trans	-132.5	139.2	167.3	-101.6	-101.1	0	0	0	109.7
148	M	34.3	Very low	38.1	Very low	132 Å²	132	119.8 Å²	119.8	65%	0.65	63%	0.631	S	S	*	*			trans	-142	150.2	-179.3	-77.9	-168.4	-72.7	0	0	112.2
149	T	35.9	Very low	38	Very low	121 Å²	121	122.1 Å²	122.1	74%	0.742	64%	0.642	S	S	*	*			trans	-135.9	-176.1	162.4	67.7	0	0	0	0	111.3	C151 G152	T149-C151 VanDerWaalsContact C-N 3.28Å; T149-C151 PolarHBondContact O-N 3.07Å; T149-G152 PolarHBondContact O-N 3.27Å
150	K	32.6	Very low	37.7	Very low	220 Å²	220	124.7 Å²	124.7	96%	0.957	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	4.5	-144	-71.2	-171.7	174.8	-177.2	0	119.1
151	C	36.3	Very low	36.6	Very low	52 Å²	52	124.9 Å²	124.9	35%	0.351	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-4.5	166.4	56.7	0	0	0	0	113.7	T149 H153 I158	T149-C151 VanDerWaalsContact C-N 3.28Å; T149-C151 PolarHBondContact O-N 3.07Å; C151-H153 PolarHBondContact O-ND1 2.72Å; C151-I158 HydrophobicContact CB-CD1 4.11Å
152	G	43.2	Very low	36.3	Very low	42 Å²	42	126 Å²	126	43%	0.433	68%	0.677	S	S	.	*			trans	81.8	16.3	158.8	0	0	0	0	0	117.8	T149	T149-G152 PolarHBondContact O-N 3.27Å
153	H	39.2	Very low	35.9	Very low	135 Å²	135	128.8 Å²	128.8	63%	0.625	69%	0.688	S	S	*	*	S	Bend	trans	-132.7	146	-177.7	-65.1	92.1	0	0	0	113.3	C151 F155	C151-H153 PolarHBondContact O-ND1 2.72Å; H153-F155 PolarHBondContact O-N 2.78Å
154	S	42.3	Very low	35.3	Very low	95 Å²	95	135.8 Å²	135.8	66%	0.664	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	69.6	177.1	-51.2	0	0	0	0	111.8
155	F	43.3	Very low	35.3	Very low	146 Å²	146	132.3 Å²	132.3	64%	0.64	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.3	81.9	-166.1	-86.9	-78.5	0	0	0	115.9	H153 L222	H153-F155 PolarHBondContact O-N 2.78Å; F155-L222 HydrophobicContact CE2-CD1 4.49Å; F155-L222 HydrophobicContact CZ-CD1 4.29Å
156	C	31.6	Very low	34.8	Very low	96 Å²	96	132.1 Å²	132.1	65%	0.649	71%	0.705	S	S	*	*			trans	-142.3	118.2	135.4	-173.1	0	0	0	0	108.1
157	S	27	Very low	34.5	Very low	54 Å²	54	133.3 Å²	133.3	38%	0.378	71%	0.706	S	S	.	*			trans	-169.2	129	179.7	168.9	0	0	0	0	112.2	Q226	S157-Q226 PolarHBondContact O-NE2 2.66Å
158	I	41.3	Very low	34.5	Very low	108 Å²	108	129 Å²	129	55%	0.554	71%	0.706	S	S	*	*			cis	-154.8	173.4	-2.1	-103	166.1	0	0	0	106.3	C151	C151-I158 HydrophobicContact CB-CD1 4.11Å
159	I	36.1	Very low	34.1	Very low	159 Å²	159	126.2 Å²	126.2	82%	0.815	71%	0.711	S	S	*	*			trans	142.9	118.2	141.7	-72.9	177.7	0	0	0	107.8
160	D	31.4	Very low	33.7	Very low	128 Å²	128	130 Å²	130	68%	0.684	72%	0.717	S	S	*	*			cis	-157.9	164.6	-20.1	-137.6	-25.9	0	0	0	109.1
161	S	27.5	Very low	33.9	Very low	110 Å²	110	124.9 Å²	124.9	77%	0.769	71%	0.709	S	S	*	*			trans	-148.7	111.1	168.3	-74.3	0	0	0	0	110.9	E163	S161-E163 PolarHBondContact O-N 3.36Å
162	T	30.9	Very low	33.4	Very low	141 Å²	141	125.7 Å²	125.7	87%	0.865	73%	0.727	S	S	*	*			trans	-73.8	117.5	172.3	51.3	0	0	0	0	111.1
163	E	31.3	Very low	33.2	Very low	192 Å²	192	130 Å²	130	90%	0.897	75%	0.75	S	S	*	*			trans	-124.4	117.1	159.2	-74	-159.2	144.7	0	0	111.2	S161	S161-E163 PolarHBondContact O-N 3.36Å
164	Y	29.5	Very low	32.6	Very low	239 Å²	239	128.3 Å²	128.3	94%	0.937	75%	0.753	S	S	*	*			trans	-83.3	135.7	159.7	-134.8	-94.9	0	0	0	107.5
165	S	36.5	Very low	32.2	Very low	106 Å²	106	133 Å²	133	74%	0.741	77%	0.765	S	S	*	*			trans	-69.1	143.8	-167.2	49.6	0	0	0	0	114.9
166	Q	25.7	Very low	31.4	Very low	187 Å²	187	131.4 Å²	131.4	87%	0.874	77%	0.767	S	S	*	*			trans	-153.1	153.6	149.1	-85.7	-124	7	0	0	112.4
167	P	32.9	Very low	31.2	Very low	107 Å²	107	136.2 Å²	136.2	70%	0.695	78%	0.777	S	S	*	*			trans	-87.3	169.1	-177.2	36.5	-36.2	0	0	0	113.7
168	P	35.8	Very low	31.2	Very low	139 Å²	139	143 Å²	143	90%	0.903	80%	0.8	S	S	*	*			trans	-82.6	143.6	-163	31.5	-36.6	0	0	0	115.5
169	G	26.4	Very low	30.7	Very low	73 Å²	73	143.3 Å²	143.3	75%	0.753	80%	0.799	S	S	*	*			trans	-149.6	123.7	172.5	0	0	0	0	0	113.7
170	F	27.7	Very low	30.5	Very low	201 Å²	201	139.9 Å²	139.9	88%	0.882	79%	0.787	S	S	*	*			trans	26.8	113.5	159.7	-91	-102.5	0	0	0	121.7
171	S	36.3	Very low	30.9	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	79%	0.785	S	S	*	*			trans	30.8	108.4	138.4	62.9	0	0	0	0	120.1
172	G	26	Very low	31.3	Very low	70 Å²	70	146.2 Å²	146.2	72%	0.722	79%	0.786	S	S	*	*			trans	-150.9	129.4	158.9	0	0	0	0	0	111	S174	G172-S174 PolarHBondContact O-N 2.91Å; G172-S174 VanDerWaalsContact O-N 3.12Å
173	S	38	Very low	31.7	Very low	132 Å²	132	146.4 Å²	146.4	92%	0.923	78%	0.782	S	S	*	*			trans	-84.8	79.7	-176.6	58.7	0	0	0	0	112.2
174	S	27.8	Very low	32.9	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	75%	0.746	S	S	*	*			trans	-93	121.3	170.1	54.2	0	0	0	0	111	G172 T176	G172-S174 PolarHBondContact O-N 2.91Å; G172-S174 VanDerWaalsContact O-N 3.12Å; S174-T176 PolarHBondContact O-N 2.82Å
175	Q	32.3	Very low	34.5	Very low	193 Å²	193	131 Å²	131	90%	0.902	73%	0.727	S	S	*	*			trans	-69.5	98.8	166.9	-76.8	-173.9	-11.1	0	0	109	K177	Q175-K177 PolarHBondContact O-N 2.83Å; Q175-K177 VanDerWaalsContact O-N 3.09Å
176	T	27.2	Very low	35.5	Very low	114 Å²	114	132.4 Å²	132.4	70%	0.699	73%	0.725	S	S	*	*			trans	-63.2	110.9	166.7	47.5	0	0	0	0	108.7	S174 K178	S174-T176 PolarHBondContact O-N 2.82Å; T176-K178 PolarHBondContact O-N 2.89Å
177	K	27.9	Very low	37.5	Very low	196 Å²	196	127 Å²	127	85%	0.852	71%	0.712	S	S	*	*			trans	-61.2	99.4	171.4	-72.6	-177.3	177.3	179.8	0	108	Q175 Q179	Q175-K177 PolarHBondContact O-N 2.83Å; Q175-K177 VanDerWaalsContact O-N 3.09Å; K177-Q179 PolarHBondContact O-N 3.44Å; K177-Q179 VanDerWaalsContact O-N 3.12Å
178	K	27.4	Very low	39.1	Very low	198 Å²	198	124.3 Å²	124.3	86%	0.861	70%	0.696	S	S	*	*			trans	-60.4	116.3	174.8	-75.4	-172.2	175.3	-176.8	0	108.5	T176	T176-K178 PolarHBondContact O-N 2.89Å
179	Q	31	Very low	40.5	Very low	114 Å²	114	123.2 Å²	123.2	53%	0.533	67%	0.674	S	S	.	*			trans	-68.2	147.5	-178.7	-66.1	-77.5	25.7	0	0	110.8	K177 W181	K177-Q179 PolarHBondContact O-N 3.44Å; K177-Q179 VanDerWaalsContact O-N 3.12Å; Q179-W181 VanDerWaalsContact C-N 3.25Å; Q179-W181 HydrophobicContact CB-CD2 3.75Å; Q179-W181 HydrophobicContact CB-CE3 3.41Å; Q179-W181 VanDerWaalsContact CB-CE3 3.41Å; Q179-W181 HydrophobicContact CB-CH2 3.62Å; Q179-W181 HydrophobicContact CB-CZ2 3.91Å; Q179-W181 HydrophobicContact CB-CZ3 3.36Å; Q179-W181 VanDerWaalsContact CD-CH2 3.43Å; Q179-W181 HydrophobicContact CG-CE3 4.11Å; Q179-W181 HydrophobicContact CG-CH2 3.43Å; Q179-W181 VanDerWaalsContact CG-CH2 3.43Å; Q179-W181 HydrophobicContact CG-CZ2 4Å; Q179-W181 HydrophobicContact CG-CZ3 3.49Å; Q179-W181 VanDerWaalsContact CG-CZ3 3.49Å; Q179-W181 PolarHBondContact O-N 2.85Å; Q179-W181 VanDerWaalsContact O-N 3.13Å
180	P	30	Very low	42.4	Very low	87 Å²	87	126.9 Å²	126.9	57%	0.565	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-74.2	-7.3	-164.2	-19.1	34	0	0	0	116	Y182 N183	P180-Y182 PolarHBondContact O-N 2.86Å; P180-N183 PolarHBondContact O-ND2 3.33Å
181	W	39.8	Very low	44.7	Very low	167 Å²	167	125.3 Å²	125.3	63%	0.633	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-72.9	-1.7	-159.1	-43.7	-55.1	0	0	0	116	Q179	Q179-W181 VanDerWaalsContact C-N 3.25Å; Q179-W181 HydrophobicContact CB-CD2 3.75Å; Q179-W181 HydrophobicContact CB-CE3 3.41Å; Q179-W181 VanDerWaalsContact CB-CE3 3.41Å; Q179-W181 HydrophobicContact CB-CH2 3.62Å; Q179-W181 HydrophobicContact CB-CZ2 3.91Å; Q179-W181 HydrophobicContact CB-CZ3 3.36Å; Q179-W181 VanDerWaalsContact CD-CH2 3.43Å; Q179-W181 HydrophobicContact CG-CE3 4.11Å; Q179-W181 HydrophobicContact CG-CH2 3.43Å; Q179-W181 VanDerWaalsContact CG-CH2 3.43Å; Q179-W181 HydrophobicContact CG-CZ2 4Å; Q179-W181 HydrophobicContact CG-CZ3 3.49Å; Q179-W181 VanDerWaalsContact CG-CZ3 3.49Å; Q179-W181 PolarHBondContact O-N 2.85Å; Q179-W181 VanDerWaalsContact O-N 3.13Å
182	Y	37.7	Very low	46.5	Very low	204 Å²	204	122 Å²	122	80%	0.8	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-91.8	5.4	-173.6	-95.5	-87	0	0	0	115.9	P180 S184	P180-Y182 PolarHBondContact O-N 2.86Å; Y182-S184 VanDerWaalsContact C-N 3.27Å; Y182-S184 PolarHBondContact O-N 2.84Å; Y182-S184 VanDerWaalsContact O-N 3.17Å
183	N	39.6	Very low	49	Very low	145 Å²	145	121.6 Å²	121.6	78%	0.775	61%	0.609	S	S	*	*			trans	-76.8	1.2	-169.4	-70.4	-21.1	0	0	0	116	P180 T185	P180-N183 PolarHBondContact O-ND2 3.33Å; N183-T185 PolarHBondContact O-N 3.02Å
184	S	54.9	Low	50.9	Low	19 Å²	19	119.9 Å²	119.9	13%	0.133	59%	0.594	C	S	.	*			trans	-87.7	102.5	176.4	-158.9	0	0	0	0	112.1	Y182 R189	Y182-S184 VanDerWaalsContact C-N 3.27Å; Y182-S184 PolarHBondContact O-N 2.84Å; Y182-S184 VanDerWaalsContact O-N 3.17Å; S184-R189 PolarHBondContact O-NE 3.39Å; S184-R189 PolarHBondContact O-NH2 2.73Å
185	T	62.8	Low	53.5	Low	89 Å²	89	117.9 Å²	117.9	55%	0.546	58%	0.583	S	S	.	*			trans	-58.9	150.6	-178.3	68.9	0	0	0	0	112.3	N183 A187 S188 R189	N183-T185 PolarHBondContact O-N 3.02Å; T185-A187 PolarHBondContact O-N 2.87Å; T185-S188 WeakPolarHBondContact O-CB 2.94Å; T185-S188 PolarHBondContact O-N 2.82Å; T185-S188 WeakPolarHBondContact OG1-CB 3.37Å; T185-S188 PolarHBondContact OG1-N 3.09Å; T185-R189 PolarHBondContact O-N 2.88Å
186	L	59	Low	55.9	Low	134 Å²	134	109.4 Å²	109.4	70%	0.702	54%	0.543	S	S	*	.	H	α-helix	trans	-57.9	-34.9	176.4	-76.8	168.6	0	0	0	112.2	R189 R190	L186-R189 PolarHBondContact O-N 3.23Å; L186-R190 WeakPolarHBondContact O-CB 3.32Å; L186-R190 PolarHBondContact O-N 3.41Å
187	A	66.6	Low	58.5	Low	73 Å²	73	109.4 Å²	109.4	60%	0.603	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-40.1	173.6	0	0	0	0	0	112.7	T185 K191	T185-A187 PolarHBondContact O-N 2.87Å; A187-K191 WeakPolarHBondContact O-CB 3.39Å; A187-K191 PolarHBondContact O-N 3.3Å
188	S	66.1	Low	61.1	Low	52 Å²	52	105.7 Å²	105.7	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-65	-46.4	175.4	-170.7	0	0	0	0	111.6	T185 K191 R192	T185-S188 WeakPolarHBondContact O-CB 2.94Å; T185-S188 PolarHBondContact O-N 2.82Å; T185-S188 WeakPolarHBondContact OG1-CB 3.37Å; T185-S188 PolarHBondContact OG1-N 3.09Å; S188-K191 PolarHBondContact O-N 3.38Å; S188-R192 PolarHBondContact O-N 3.34Å
189	R	66.6	Low	63.9	Low	115 Å²	115	97 Å²	97	43%	0.434	48%	0.483	S	S	.	.	H	α-helix	trans	-62.1	-43.9	175.9	-76.6	-177.4	-87	160.9	-9	112.4	S184 T185 L186 K191 R192 L193	S184-R189 PolarHBondContact O-NE 3.39Å; S184-R189 PolarHBondContact O-NH2 2.73Å; T185-R189 PolarHBondContact O-N 2.88Å; L186-R189 PolarHBondContact O-N 3.23Å; R189-K191 PolarHBondContact O-N 2.99Å; R189-R192 PolarHBondContact O-N 3.35Å; R189-L193 WeakPolarHBondContact O-CG 3.44Å; R189-L193 PolarHBondContact O-N 2.82Å
190	R	66.2	Low	66.3	Low	151 Å²	151	92.3 Å²	92.3	57%	0.57	46%	0.461	S	S	*	.	H	α-helix	trans	-59	-47.1	173.3	-169.5	177.3	-172.8	177.8	4.5	111.3	L186 R192 L193 T194	L186-R190 WeakPolarHBondContact O-CB 3.32Å; L186-R190 PolarHBondContact O-N 3.41Å; R190-R192 PolarHBondContact O-N 3.28Å; R190-L193 PolarHBondContact O-N 2.92Å; R190-T194 PolarHBondContact O-N 3.12Å; R190-T194 PolarHBondContact O-OG1 3.21Å; R190-T194 VanDerWaalsContact O-OG1 3.09Å
191	K	75.1	Confident	68.8	Low	167 Å²	167	92.3 Å²	92.3	73%	0.726	45%	0.453	S	S	*	.	H	α-helix	trans	-59.8	-41.3	177.8	-173.6	178.7	179.1	-177.9	0	112.5	A187 S188 R189 A195	A187-K191 WeakPolarHBondContact O-CB 3.39Å; A187-K191 PolarHBondContact O-N 3.3Å; S188-K191 PolarHBondContact O-N 3.38Å; R189-K191 PolarHBondContact O-N 2.99Å; K191-A195 WeakPolarHBondContact O-CB 3.01Å; K191-A195 PolarHBondContact O-N 2.93Å; K191-A195 VanDerWaalsContact O-N 3.08Å
192	R	75.3	Confident	70.8	Confident	44 Å²	44	90.5 Å²	90.5	17%	0.166	45%	0.452	C	S	.	.	H	α-helix	trans	-62	-50.1	173.5	-78.3	-174.8	64	-163.4	-3.2	111.9	S188 R189 R190 T194 A195 H196 F232 Y235	S188-R192 PolarHBondContact O-N 3.34Å; R189-R192 PolarHBondContact O-N 3.35Å; R190-R192 PolarHBondContact O-N 3.28Å; R192-T194 PolarHBondContact O-N 3.05Å; R192-A195 PolarHBondContact O-N 3.45Å; R192-H196 PolarHBondContact O-CD2 2.92Å; R192-H196 VanDerWaalsContact O-CD2 3.27Å; R192-H196 PolarHBondContact O-N 2.6Å; R192-F232 PolarHBondContact NH2-O 3.28Å; R192-Y235 PolarHBondContact NH1-O 3.1Å; R192-Y235 PolarHBondContact NH2-O 2.84Å
193	L	77.6	Confident	72.7	Confident	60 Å²	60	81.4 Å²	81.4	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-60.3	-45.3	179.6	-71.1	169.3	0	0	0	111.7	R189 R190 A195 H196 F197 L200 L229 F232	R189-L193 WeakPolarHBondContact O-CG 3.44Å; R189-L193 PolarHBondContact O-N 2.82Å; R190-L193 PolarHBondContact O-N 2.92Å; L193-A195 PolarHBondContact O-N 3.33Å; L193-H196 CarbonylContact O-C 3.49Å; L193-H196 PolarHBondContact O-N 3.11Å; L193-H196 VanDerWaalsContact O-N 3.17Å; L193-F197 PolarHBondContact O-N 3.43Å; L193-L200 HydrophobicContact CD2-CD1 4.09Å; L193-L229 HydrophobicContact CD2-CD2 4.24Å; L193-F232 HydrophobicContact CD2-CE1 4.33Å
194	T	78.9	Confident	74.7	Confident	97 Å²	97	77.8 Å²	77.8	60%	0.595	39%	0.394	S	S	*	.	H	α-helix	trans	-61.8	-40.8	176.7	-56.5	0	0	0	0	112.6	R190 R192 H196 F197	R190-T194 PolarHBondContact O-N 3.12Å; R190-T194 PolarHBondContact O-OG1 3.21Å; R190-T194 VanDerWaalsContact O-OG1 3.09Å; R192-T194 PolarHBondContact O-N 3.05Å; T194-H196 PolarHBondContact O-N 3.29Å; T194-F197 WeakPolarHBondContact O-CB 3.47Å; T194-F197 PolarHBondContact O-N 3.44Å
195	A	81.2	Confident	75.8	Confident	57 Å²	57	81.9 Å²	81.9	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-27.6	177.1	0	0	0	0	0	113.3	K191 R192 L193 K506	K191-A195 WeakPolarHBondContact O-CB 3.01Å; K191-A195 PolarHBondContact O-N 2.93Å; K191-A195 VanDerWaalsContact O-N 3.08Å; R192-A195 PolarHBondContact O-N 3.45Å; L193-A195 PolarHBondContact O-N 3.33Å; A195-K506 VanDerWaalsContact O-CD 3.31Å; A195-K506 WeakPolarHBondContact O-CD 3.49Å; A195-K506 PolarHBondContact O-NZ 3.21Å
196	H	83.5	Confident	76.4	Confident	15 Å²	15	80.6 Å²	80.6	7%	0.069	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	5.1	178.7	-71.7	-111.5	0	0	0	113.8	R192 L193 T194 E198 D199 L200 F232 K506 T507	R192-H196 PolarHBondContact O-CD2 2.92Å; R192-H196 VanDerWaalsContact O-CD2 3.27Å; R192-H196 PolarHBondContact O-N 2.6Å; L193-H196 CarbonylContact O-C 3.49Å; L193-H196 PolarHBondContact O-N 3.11Å; L193-H196 VanDerWaalsContact O-N 3.17Å; T194-H196 PolarHBondContact O-N 3.29Å; H196-E198 PolarHBondContact O-N 3.39Å; H196-D199 WeakPolarHBondContact O-CB 3.34Å; H196-D199 PolarHBondContact O-N 2.79Å; H196-L200 HydrophobicContact CB-CD1 4.09Å; H196-L200 HydrophobicContact CB-CG 4.36Å; H196-L200 WeakPolarHBondContact O-CG 3.21Å; H196-L200 PolarHBondContact O-N 2.84Å; H196-F232 HydrophobicContact CB-CE1 4.22Å; H196-F232 HydrophobicContact CB-CZ 3.95Å; H196-F232 AromaticContact CD2-CZ 3.55Å; H196-F232 AromaticContact CE1-CE2 3.43Å; H196-F232 VanDerWaalsContact CE1-CE2 3.43Å; H196-F232 WeakPolarHBondContact CE1-CE2 3.42Å; H196-F232 AromaticContact CE1-CZ 3.73Å; H196-F232 AromaticContact CG-CE2 3.83Å; H196-F232 AromaticContact CG-CZ 3.4Å; H196-F232 VanDerWaalsContact CG-CZ 3.4Å; H196-F232 AromaticContact ND1-CE2 3.42Å; H196-F232 WeakPolarHBondContact ND1-CE2 3.08Å; H196-F232 AromaticContact ND1-CZ 3.52Å; H196-F232 AromaticContact NE2-CE2 3.85Å; H196-F232 AromaticContact NE2-CZ 3.76Å; H196-K506 VanDerWaalsContact CE1-CB 3.48Å; H196-K506 WeakPolarHBondContact CE1-CB 3.38Å; H196-T507 PolarHBondContact CE1-O 2.88Å; H196-T507 PolarHBondContact NE2-O 3.25Å
197	F	81.2	Confident	76.9	Confident	114 Å²	114	74.6 Å²	74.6	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-54.3	-49.6	-171.8	-174.5	-90.7	0	0	0	112.7	L193 T194 D199 L200 E201	L193-F197 PolarHBondContact O-N 3.43Å; T194-F197 WeakPolarHBondContact O-CB 3.47Å; T194-F197 PolarHBondContact O-N 3.44Å; F197-D199 VanDerWaalsContact C-N 3.29Å; F197-D199 PolarHBondContact O-N 3.08Å; F197-L200 PolarHBondContact O-N 2.79Å; F197-E201 HydrophobicContact CE1-CB 4.49Å; F197-E201 VanDerWaalsContact O-CB 3.28Å; F197-E201 WeakPolarHBondContact O-CB 3.27Å; F197-E201 PolarHBondContact O-N 3.13Å
198	E	83.8	Confident	76.9	Confident	118 Å²	118	74.7 Å²	74.7	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-59	-36.5	178.3	-55.3	164.4	126.8	0	0	113.2	H196 Q202 K506	H196-E198 PolarHBondContact O-N 3.39Å; E198-Q202 WeakPolarHBondContact O-CB 3.4Å; E198-Q202 VanDerWaalsContact O-CG 3.23Å; E198-Q202 WeakPolarHBondContact O-CG 3.35Å; E198-Q202 PolarHBondContact O-N 2.66Å; E198-K506 IonicContact OE2-NZ 2.94Å; E198-K506 PolarHBondContact OE2-NZ 2.93Å
199	D	84.1	Confident	76.8	Confident	16 Å²	16	78.6 Å²	78.6	9%	0.086	37%	0.372	C	S	.	.	H	α-helix	trans	-74.2	-38.5	179.1	-72.7	49.9	0	0	0	110.8	H196 F197 C203 L504 S505 K506	H196-D199 WeakPolarHBondContact O-CB 3.34Å; H196-D199 PolarHBondContact O-N 2.79Å; F197-D199 VanDerWaalsContact C-N 3.29Å; F197-D199 PolarHBondContact O-N 3.08Å; D199-C203 WeakPolarHBondContact O-CB 3.39Å; D199-C203 PolarHBondContact O-N 2.91Å; D199-L504 HydrophobicContact CB-CB 4.45Å; D199-L504 HydrophobicContact CB-CD2 3.89Å; D199-S505 VanDerWaalsContact OD2-CA 3.31Å; D199-S505 WeakPolarHBondContact OD2-CA 3.44Å; D199-S505 VanDerWaalsContact OD2-CB 3.25Å; D199-S505 WeakPolarHBondContact OD2-CB 3.15Å; D199-S505 PolarHBondContact OD2-N 3.03Å; D199-K506 WeakPolarHBondContact OD1-CD 3.25Å; D199-K506 WeakPolarHBondContact OD1-CE 3.31Å; D199-K506 WeakPolarHBondContact OD1-CG 3.5Å; D199-K506 IonicContact OD1-NZ 3.91Å; D199-K506 PolarHBondContact OD1-NZ 3.13Å; D199-K506 VanDerWaalsContact OD1-NZ 3.1Å; D199-K506 PolarHBondContact OD2-N 2.82Å
200	L	83.1	Confident	76.3	Confident	14 Å²	14	77.5 Å²	77.5	7%	0.073	38%	0.382	C	S	.	.	H	α-helix	trans	-70.9	-40.2	177.6	-70.6	167.7	0	0	0	111.4	L193 H196 F197 C203 Y204 F225 L229 L504	L193-L200 HydrophobicContact CD2-CD1 4.09Å; H196-L200 HydrophobicContact CB-CD1 4.09Å; H196-L200 HydrophobicContact CB-CG 4.36Å; H196-L200 WeakPolarHBondContact O-CG 3.21Å; H196-L200 PolarHBondContact O-N 2.84Å; F197-L200 PolarHBondContact O-N 2.79Å; L200-C203 WeakPolarHBondContact O-CB 3.32Å; L200-C203 PolarHBondContact O-N 2.98Å; L200-Y204 WeakPolarHBondContact O-CB 3.21Å; L200-Y204 PolarHBondContact O-N 3.39Å; L200-F225 HydrophobicContact CB-CE2 4.48Å; L200-F225 HydrophobicContact CD2-CE2 4.43Å; L200-F225 VanDerWaalsContact O-CE2 3.31Å; L200-F225 WeakPolarHBondContact O-CE2 3.43Å; L200-L229 HydrophobicContact CD1-CD2 4.05Å; L200-L229 HydrophobicContact CD2-CD2 3.66Å; L200-L229 HydrophobicContact CD2-CG 4.39Å; L200-L229 HydrophobicContact CG-CD2 4.48Å; L200-L504 HydrophobicContact CD2-CD1 3.82Å; L200-L504 HydrophobicContact CD2-CD2 3.9Å; L200-L504 HydrophobicContact CG-CD1 4.43Å; L200-L504 HydrophobicContact CG-CD2 4.32Å
201	E	81.3	Confident	75.8	Confident	88 Å²	88	78.1 Å²	78.1	41%	0.411	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-49.3	172.7	-179.9	179.6	-158.5	0	0	111	F197 C203 Y204 F205	F197-E201 HydrophobicContact CE1-CB 4.49Å; F197-E201 VanDerWaalsContact O-CB 3.28Å; F197-E201 WeakPolarHBondContact O-CB 3.27Å; F197-E201 PolarHBondContact O-N 3.13Å; E201-C203 VanDerWaalsContact C-N 3.3Å; E201-C203 PolarHBondContact O-N 2.9Å; E201-Y204 PolarHBondContact O-N 2.92Å; E201-F205 HydrophobicContact CG-CD2 3.73Å; E201-F205 HydrophobicContact CG-CE2 3.58Å; E201-F205 VanDerWaalsContact O-CD2 3.26Å; E201-F205 WeakPolarHBondContact O-CD2 3.4Å; E201-F205 PolarHBondContact O-N 2.88Å
202	Q	81.5	Confident	74.6	Confident	129 Å²	129	77.3 Å²	77.3	60%	0.603	39%	0.386	S	S	*	.	H	α-helix	trans	-60.9	-39.1	173.4	-74.8	174.2	31.7	0	0	112	E198 S206	E198-Q202 WeakPolarHBondContact O-CB 3.4Å; E198-Q202 VanDerWaalsContact O-CG 3.23Å; E198-Q202 WeakPolarHBondContact O-CG 3.35Å; E198-Q202 PolarHBondContact O-N 2.66Å; Q202-S206 WeakPolarHBondContact O-CB 3.39Å; Q202-S206 PolarHBondContact O-N 2.87Å; Q202-S206 PolarHBondContact O-OG 2.86Å; Q202-S206 VanDerWaalsContact O-OG 3.13Å
203	C	79.4	Confident	73.3	Confident	12 Å²	12	80 Å²	80	8%	0.081	41%	0.412	C	S	.	.	H	α-helix	trans	-60.2	-54.4	174.5	-166.3	0	0	0	0	110.7	D199 L200 E201 F205 S206 T207 F225 L504	D199-C203 WeakPolarHBondContact O-CB 3.39Å; D199-C203 PolarHBondContact O-N 2.91Å; L200-C203 WeakPolarHBondContact O-CB 3.32Å; L200-C203 PolarHBondContact O-N 2.98Å; E201-C203 VanDerWaalsContact C-N 3.3Å; E201-C203 PolarHBondContact O-N 2.9Å; C203-F205 PolarHBondContact O-N 2.99Å; C203-S206 PolarHBondContact O-N 2.9Å; C203-S206 VanDerWaalsContact O-N 3.15Å; C203-S206 PolarHBondContact O-OG 2.92Å; C203-T207 PolarHBondContact O-N 2.83Å; C203-T207 PolarHBondContact O-OG1 3.28Å; C203-T207 VanDerWaalsContact O-OG1 3.08Å; C203-F225 HydrophobicContact CB-CE2 4.41Å; C203-L504 HydrophobicContact CB-CD2 4.18Å
204	Y	79.7	Confident	71.8	Confident	70 Å²	70	81.4 Å²	81.4	28%	0.275	42%	0.42	S	S	.	.	H	α-helix	trans	-54.1	-51.5	178.8	177.2	-105.8	0	0	0	112.3	L200 E201 S206 T207 R208 L222 F225	L200-Y204 WeakPolarHBondContact O-CB 3.21Å; L200-Y204 PolarHBondContact O-N 3.39Å; E201-Y204 PolarHBondContact O-N 2.92Å; Y204-S206 PolarHBondContact O-N 2.92Å; Y204-T207 PolarHBondContact O-N 2.98Å; Y204-R208 HydrophobicContact CD1-CG 4.45Å; Y204-R208 HydrophobicContact CD2-CG 4.41Å; Y204-R208 HydrophobicContact CE1-CG 4.08Å; Y204-R208 HydrophobicContact CE2-CG 4.02Å; Y204-R208 WeakPolarHBondContact O-CB 3.5Å; Y204-R208 WeakPolarHBondContact O-CG 3.28Å; Y204-R208 PolarHBondContact O-N 2.82Å; Y204-R208 PolarHBondContact OH-NE 2.86Å; Y204-R208 PolarHBondContact OH-NH2 3.2Å; Y204-L222 HydrophobicContact CE2-CD2 3.96Å; Y204-F225 HydrophobicContact CD2-CB 4.49Å; Y204-F225 AromaticContact CD2-CD1 3.82Å; Y204-F225 HydrophobicContact CD2-CD1 3.82Å; Y204-F225 HydrophobicContact CD2-CD2 4.4Å; Y204-F225 HydrophobicContact CD2-CE1 4.11Å; Y204-F225 AromaticContact CD2-CG 3.97Å; Y204-F225 HydrophobicContact CD2-CG 3.97Å
205	F	79.4	Confident	70.2	Confident	104 Å²	104	85.5 Å²	85.5	46%	0.456	44%	0.438	S	S	.	.	H	α-helix	trans	-65.9	-36.7	178.6	-74.1	-59	0	0	0	112.6	E201 C203 R208 M209	E201-F205 HydrophobicContact CG-CD2 3.73Å; E201-F205 HydrophobicContact CG-CE2 3.58Å; E201-F205 VanDerWaalsContact O-CD2 3.26Å; E201-F205 WeakPolarHBondContact O-CD2 3.4Å; E201-F205 PolarHBondContact O-N 2.88Å; C203-F205 PolarHBondContact O-N 2.99Å; F205-R208 PolarHBondContact O-N 3.26Å; F205-M209 VanDerWaalsContact O-CB 3.3Å; F205-M209 WeakPolarHBondContact O-CB 3.24Å; F205-M209 VanDerWaalsContact O-CG 3.27Å; F205-M209 WeakPolarHBondContact O-CG 3.2Å; F205-M209 PolarHBondContact O-N 3.06Å
206	S	74.9	Confident	68.6	Low	62 Å²	62	87.1 Å²	87.1	43%	0.434	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-42	175.8	73.1	0	0	0	0	112.3	Q202 C203 Y204 M209 S210	Q202-S206 WeakPolarHBondContact O-CB 3.39Å; Q202-S206 PolarHBondContact O-N 2.87Å; Q202-S206 PolarHBondContact O-OG 2.86Å; Q202-S206 VanDerWaalsContact O-OG 3.13Å; C203-S206 PolarHBondContact O-N 2.9Å; C203-S206 VanDerWaalsContact O-N 3.15Å; C203-S206 PolarHBondContact O-OG 2.92Å; Y204-S206 PolarHBondContact O-N 2.92Å; S206-M209 PolarHBondContact O-N 3.03Å; S206-S210 WeakPolarHBondContact O-CB 3.36Å; S206-S210 PolarHBondContact O-N 3.27Å
207	T	69.2	Low	67.1	Low	9 Å²	9	95.5 Å²	95.5	6%	0.055	48%	0.477	C	S	.	.	H	α-helix	trans	-62.9	-46.2	174.5	-56.5	0	0	0	0	111.1	C203 Y204 Q221 E224	C203-T207 PolarHBondContact O-N 2.83Å; C203-T207 PolarHBondContact O-OG1 3.28Å; C203-T207 VanDerWaalsContact O-OG1 3.08Å; Y204-T207 PolarHBondContact O-N 2.98Å; T207-Q221 HydrophobicContact CG2-CB 4.41Å; T207-Q221 WeakPolarHBondContact CG2-O 3.33Å; T207-E224 HydrophobicContact CG2-CB 4.09Å; T207-E224 HydrophobicContact CG2-CG 4.21Å
208	R	67.5	Low	65.7	Low	75 Å²	75	95.1 Å²	95.1	28%	0.283	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.4	-73.8	-62.3	-158.3	179.9	4.7	113.7	Y204 F205 Q221	Y204-R208 HydrophobicContact CD1-CG 4.45Å; Y204-R208 HydrophobicContact CD2-CG 4.41Å; Y204-R208 HydrophobicContact CE1-CG 4.08Å; Y204-R208 HydrophobicContact CE2-CG 4.02Å; Y204-R208 WeakPolarHBondContact O-CB 3.5Å; Y204-R208 WeakPolarHBondContact O-CG 3.28Å; Y204-R208 PolarHBondContact O-N 2.82Å; Y204-R208 PolarHBondContact OH-NE 2.86Å; Y204-R208 PolarHBondContact OH-NH2 3.2Å; F205-R208 PolarHBondContact O-N 3.26Å; R208-Q221 VanDerWaalsContact CD-OE1 3.3Å
209	M	62.8	Low	64.1	Low	133 Å²	133	92.6 Å²	92.6	66%	0.655	48%	0.483	S	S	*	.	H	α-helix	trans	-82.5	-13.6	-176.5	-68.4	-176.3	76.7	0	0	113.9	F205 S206 R211	F205-M209 VanDerWaalsContact O-CB 3.3Å; F205-M209 WeakPolarHBondContact O-CB 3.24Å; F205-M209 VanDerWaalsContact O-CG 3.27Å; F205-M209 WeakPolarHBondContact O-CG 3.2Å; F205-M209 PolarHBondContact O-N 3.06Å; S206-M209 PolarHBondContact O-N 3.03Å; M209-R211 PolarHBondContact O-N 3.42Å; M209-R211 VanDerWaalsContact O-N 3.14Å
210	S	57.3	Low	63	Low	92 Å²	92	94.5 Å²	94.5	64%	0.643	50%	0.498	S	S	*	.	S	Bend	trans	-59.3	-27.4	-172.9	-166.9	0	0	0	0	114.4	S206	S206-S210 WeakPolarHBondContact O-CB 3.36Å; S206-S210 PolarHBondContact O-N 3.27Å
211	R	55.2	Low	62	Low	164 Å²	164	95.5 Å²	95.5	62%	0.619	50%	0.502	S	S	*	.			trans	-145	90.4	177.7	-62.2	-170.6	-169	-143	5.3	112.9	M209 S213 D214	M209-R211 PolarHBondContact O-N 3.42Å; M209-R211 VanDerWaalsContact O-N 3.14Å; R211-S213 VanDerWaalsContact C-N 3.27Å; R211-D214 IonicContact NH1-OD2 3.38Å; R211-D214 PolarHBondContact NH1-OD2 2.65Å
212	I	50	Low	61.5	Low	150 Å²	150	93.9 Å²	93.9	77%	0.769	50%	0.496	S	S	*	.	S	Bend	trans	-89.8	3.7	163	-63.9	167.4	0	0	0	110.7
213	S	48.6	Very low	61.2	Low	100 Å²	100	92.1 Å²	92.1	70%	0.699	49%	0.491	S	S	*	.	S	Bend	trans	-97.3	-17	-175.2	57.9	0	0	0	0	115.9	R211	R211-S213 VanDerWaalsContact C-N 3.27Å
214	D	45	Very low	60.9	Low	91 Å²	91	96.8 Å²	96.8	49%	0.487	51%	0.512	S	S	.	.			trans	-120.1	109.7	-179.1	-74.5	-51.2	0	0	0	108.8	R211 S216	R211-D214 IonicContact NH1-OD2 3.38Å; R211-D214 PolarHBondContact NH1-OD2 2.65Å; D214-S216 PolarHBondContact O-N 3.48Å
215	D	46.3	Very low	60.9	Low	182 Å²	182	95 Å²	95	97%	0.973	51%	0.505	S	S	*	.			trans	-80.1	43	-173.3	-154.4	13.9	0	0	0	112.8
216	S	46.7	Very low	60.8	Low	92 Å²	92	93 Å²	93	64%	0.643	50%	0.497	S	S	*	.	S	Bend	trans	-153.2	138.7	-176.2	-166	0	0	0	0	111.2	D214	D214-S216 PolarHBondContact O-N 3.48Å
217	R	52.9	Low	61.2	Low	191 Å²	191	94.7 Å²	94.7	72%	0.721	50%	0.498	S	S	*	.			trans	79.9	55.7	-179.9	-45.4	173.6	-173.3	-159.3	0.3	116.3	A219 S220	R217-A219 PolarHBondContact O-N 2.9Å; R217-S220 PolarHBondContact O-OG 3.32Å
218	T	50.5	Low	61.9	Low	105 Å²	105	94.4 Å²	94.4	64%	0.644	50%	0.497	S	S	*	.	S	Bend	trans	-64.7	-25.1	162.9	45.8	0	0	0	0	113.7
219	A	51	Low	62.6	Low	65 Å²	65	92.1 Å²	92.1	54%	0.537	49%	0.49	S	S	.	.	S	Bend	trans	-65.2	-53.4	179.2	0	0	0	0	0	112.6	R217 Q221 L222	R217-A219 PolarHBondContact O-N 2.9Å; A219-Q221 PolarHBondContact O-N 3.06Å; A219-L222 PolarHBondContact O-N 2.86Å
220	S	60	Low	63.6	Low	56 Å²	56	89.2 Å²	89.2	39%	0.392	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-10.9	-175.1	60.8	0	0	0	0	115	R217 D223 E224	R217-S220 PolarHBondContact O-OG 3.32Å; S220-D223 WeakPolarHBondContact CA-OD2 3.45Å; S220-E224 PolarHBondContact O-N 2.99Å
221	Q	62.7	Low	65	Low	35 Å²	35	87 Å²	87	16%	0.164	46%	0.462	C	S	.	.	H	α-helix	trans	-72.9	-31	172.3	-61	174.8	-2.8	0	0	112.4	T207 R208 A219	T207-Q221 HydrophobicContact CG2-CB 4.41Å; T207-Q221 WeakPolarHBondContact CG2-O 3.33Å; R208-Q221 VanDerWaalsContact CD-OE1 3.3Å; A219-Q221 PolarHBondContact O-N 3.06Å
222	L	71.4	Confident	66.4	Low	54 Å²	54	79.3 Å²	79.3	28%	0.283	43%	0.433	S	S	.	.	H	α-helix	trans	-79.5	-36.3	174.5	-69.5	178.8	0	0	0	110.7	F155 Y204 A219 E224 F225 Q226	F155-L222 HydrophobicContact CE2-CD1 4.49Å; F155-L222 HydrophobicContact CZ-CD1 4.29Å; Y204-L222 HydrophobicContact CE2-CD2 3.96Å; A219-L222 PolarHBondContact O-N 2.86Å; L222-E224 PolarHBondContact O-N 3.15Å; L222-F225 PolarHBondContact O-N 2.87Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 PolarHBondContact O-N 3.1Å
223	D	73.9	Confident	68	Low	92 Å²	92	75.5 Å²	75.5	49%	0.492	42%	0.416	S	S	.	.	H	α-helix	trans	-58.3	-46.1	176.3	-56.4	-27.4	0	0	0	111.5	S220 F225 Q226 E227	S220-D223 WeakPolarHBondContact CA-OD2 3.45Å; D223-F225 PolarHBondContact O-N 3.49Å; D223-Q226 PolarHBondContact O-N 2.94Å; D223-E227 WeakPolarHBondContact O-CB 3.36Å; D223-E227 PolarHBondContact O-N 3.46Å
224	E	73.6	Confident	69.7	Low	111 Å²	111	75.1 Å²	75.1	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-40.9	176.6	-174.8	-177.2	160.5	0	0	112.5	T207 S220 L222 E227 C228	T207-E224 HydrophobicContact CG2-CB 4.09Å; T207-E224 HydrophobicContact CG2-CG 4.21Å; S220-E224 PolarHBondContact O-N 2.99Å; L222-E224 PolarHBondContact O-N 3.15Å; E224-E227 PolarHBondContact O-N 2.63Å; E224-C228 WeakPolarHBondContact O-CB 3.32Å; E224-C228 PolarHBondContact O-N 3.4Å
225	F	79.3	Confident	71.7	Confident	31 Å²	31	71.1 Å²	71.1	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-70.6	-34.7	176.3	-179.2	-114	0	0	0	112.5	L200 C203 Y204 L222 D223 C228 L229	L200-F225 HydrophobicContact CB-CE2 4.48Å; L200-F225 HydrophobicContact CD2-CE2 4.43Å; L200-F225 VanDerWaalsContact O-CE2 3.31Å; L200-F225 WeakPolarHBondContact O-CE2 3.43Å; C203-F225 HydrophobicContact CB-CE2 4.41Å; Y204-F225 HydrophobicContact CD2-CB 4.49Å; Y204-F225 AromaticContact CD2-CD1 3.82Å; Y204-F225 HydrophobicContact CD2-CD1 3.82Å; Y204-F225 HydrophobicContact CD2-CD2 4.4Å; Y204-F225 HydrophobicContact CD2-CE1 4.11Å; Y204-F225 AromaticContact CD2-CG 3.97Å; Y204-F225 HydrophobicContact CD2-CG 3.97Å; L222-F225 PolarHBondContact O-N 2.87Å; D223-F225 PolarHBondContact O-N 3.49Å; F225-C228 WeakPolarHBondContact O-CB 3.18Å; F225-C228 PolarHBondContact O-N 2.86Å; F225-L229 HydrophobicContact CD1-CD1 4.09Å; F225-L229 HydrophobicContact CE1-CD1 3.59Å; F225-L229 HydrophobicContact CE1-CG 4.3Å; F225-L229 HydrophobicContact CZ-CD1 3.9Å; F225-L229 HydrophobicContact CZ-CG 4.16Å; F225-L229 PolarHBondContact O-N 3.41Å
226	Q	78.3	Confident	73.6	Confident	62 Å²	62	65.4 Å²	65.4	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-70.1	-37.6	174.9	-161.9	-170.4	-68.5	0	0	111.6	S157 L222 D223 C228 L229 S230	S157-Q226 PolarHBondContact O-NE2 2.66Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 PolarHBondContact O-N 3.1Å; D223-Q226 PolarHBondContact O-N 2.94Å; Q226-C228 VanDerWaalsContact C-N 3.35Å; Q226-L229 PolarHBondContact O-N 3.05Å; Q226-S230 WeakPolarHBondContact O-CB 3.39Å; Q226-S230 PolarHBondContact O-N 2.82Å
227	E	83.4	Confident	75.5	Confident	98 Å²	98	63.9 Å²	63.9	46%	0.458	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-41.8	171.8	-170.6	-175	-159.7	0	0	111.1	D223 E224 S230 K231	D223-E227 WeakPolarHBondContact O-CB 3.36Å; D223-E227 PolarHBondContact O-N 3.46Å; E224-E227 PolarHBondContact O-N 2.63Å; E227-S230 PolarHBondContact O-N 2.91Å; E227-K231 HydrophobicContact CG-CD 4.05Å; E227-K231 HydrophobicContact CG-CG 4.47Å; E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 WeakPolarHBondContact O-CG 3.34Å; E227-K231 PolarHBondContact O-N 3.18Å; E227-K231 WeakPolarHBondContact OE1-CE 3.47Å; E227-K231 IonicContact OE1-NZ 3.23Å; E227-K231 PolarHBondContact OE1-NZ 3.24Å; E227-K231 IonicContact OE2-NZ 3.42Å
228	C	83.6	Confident	77.4	Confident	4 Å²	4	56 Å²	56	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-57.5	-48.6	172.6	174.6	0	0	0	0	112.2	E224 F225 Q226 F232 Y501	E224-C228 WeakPolarHBondContact O-CB 3.32Å; E224-C228 PolarHBondContact O-N 3.4Å; F225-C228 WeakPolarHBondContact O-CB 3.18Å; F225-C228 PolarHBondContact O-N 2.86Å; Q226-C228 VanDerWaalsContact C-N 3.35Å; C228-F232 VanDerWaalsContact O-CB 3.32Å; C228-F232 WeakPolarHBondContact O-CB 3.35Å; C228-F232 PolarHBondContact O-N 3.13Å; C228-Y501 HydrophobicContact CB-CE1 4.38Å
229	L	81.4	Confident	79.5	Confident	26 Å²	26	57.9 Å²	57.9	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-41.9	174.9	-78.6	169	0	0	0	112.6	L193 L200 F225 Q226 T233	L193-L229 HydrophobicContact CD2-CD2 4.24Å; L200-L229 HydrophobicContact CD1-CD2 4.05Å; L200-L229 HydrophobicContact CD2-CD2 3.66Å; L200-L229 HydrophobicContact CD2-CG 4.39Å; L200-L229 HydrophobicContact CG-CD2 4.48Å; F225-L229 HydrophobicContact CD1-CD1 4.09Å; F225-L229 HydrophobicContact CE1-CD1 3.59Å; F225-L229 HydrophobicContact CE1-CG 4.3Å; F225-L229 HydrophobicContact CZ-CD1 3.9Å; F225-L229 HydrophobicContact CZ-CG 4.16Å; F225-L229 PolarHBondContact O-N 3.41Å; Q226-L229 PolarHBondContact O-N 3.05Å; L229-T233 WeakPolarHBondContact O-CB 3.44Å; L229-T233 WeakPolarHBondContact O-CG2 3.4Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 PolarHBondContact O-OG1 2.88Å
230	S	83.6	Confident	81.6	Confident	73 Å²	73	57.6 Å²	57.6	51%	0.51	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-53.6	177	-175.8	0	0	0	0	111.3	Q226 E227 F232 T233 R234	Q226-S230 WeakPolarHBondContact O-CB 3.39Å; Q226-S230 PolarHBondContact O-N 2.82Å; E227-S230 PolarHBondContact O-N 2.91Å; S230-F232 PolarHBondContact O-N 2.74Å; S230-T233 CarbonylContact O-C 3.52Å; S230-T233 PolarHBondContact O-N 2.87Å; S230-T233 VanDerWaalsContact O-N 3.1Å; S230-T233 PolarHBondContact O-OG1 3.03Å; S230-R234 PolarHBondContact O-N 3.27Å
231	K	86.8	Confident	83.2	Confident	46 Å²	46	57.3 Å²	57.3	20%	0.2	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-37.4	178.5	-68.4	175.2	-178.9	174.2	0	112.7	E227 T233 D486 Y487 Y501	E227-K231 HydrophobicContact CG-CD 4.05Å; E227-K231 HydrophobicContact CG-CG 4.47Å; E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 WeakPolarHBondContact O-CG 3.34Å; E227-K231 PolarHBondContact O-N 3.18Å; E227-K231 WeakPolarHBondContact OE1-CE 3.47Å; E227-K231 IonicContact OE1-NZ 3.23Å; E227-K231 PolarHBondContact OE1-NZ 3.24Å; E227-K231 IonicContact OE2-NZ 3.42Å; K231-T233 VanDerWaalsContact C-N 3.32Å; K231-T233 PolarHBondContact O-N 2.91Å; K231-D486 HydrophobicContact CD-CB 4.44Å; K231-D486 WeakPolarHBondContact CD-OD2 3.39Å; K231-D486 VanDerWaalsContact CE-OD2 3.31Å; K231-D486 WeakPolarHBondContact CE-OD2 3.13Å; K231-D486 IonicContact NZ-OD2 2.67Å; K231-D486 PolarHBondContact NZ-OD2 3.28Å; K231-Y487 PolarHBondContact O-OH 2.98Å; K231-Y501 HydrophobicContact CB-CD2 3.87Å; K231-Y501 HydrophobicContact CB-CE2 3.5Å; K231-Y501 HydrophobicContact CD-CE2 3.73Å; K231-Y501 HydrophobicContact CG-CE2 4.24Å
232	F	85.1	Confident	84.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-36.2	173.2	171.2	-117.1	0	0	0	113	R192 L193 H196 C228 S230 Y501 L504 L508	R192-F232 PolarHBondContact NH2-O 3.28Å; L193-F232 HydrophobicContact CD2-CE1 4.33Å; H196-F232 HydrophobicContact CB-CE1 4.22Å; H196-F232 HydrophobicContact CB-CZ 3.95Å; H196-F232 AromaticContact CD2-CZ 3.55Å; H196-F232 AromaticContact CE1-CE2 3.43Å; H196-F232 VanDerWaalsContact CE1-CE2 3.43Å; H196-F232 WeakPolarHBondContact CE1-CE2 3.42Å; H196-F232 AromaticContact CE1-CZ 3.73Å; H196-F232 AromaticContact CG-CE2 3.83Å; H196-F232 AromaticContact CG-CZ 3.4Å; H196-F232 VanDerWaalsContact CG-CZ 3.4Å; H196-F232 AromaticContact ND1-CE2 3.42Å; H196-F232 WeakPolarHBondContact ND1-CE2 3.08Å; H196-F232 AromaticContact ND1-CZ 3.52Å; H196-F232 AromaticContact NE2-CE2 3.85Å; H196-F232 AromaticContact NE2-CZ 3.76Å; C228-F232 VanDerWaalsContact O-CB 3.32Å; C228-F232 WeakPolarHBondContact O-CB 3.35Å; C228-F232 PolarHBondContact O-N 3.13Å; S230-F232 PolarHBondContact O-N 2.74Å; F232-Y501 HydrophobicContact CB-CD1 4.39Å; F232-L504 HydrophobicContact CB-CD1 3.74Å; F232-L504 HydrophobicContact CD1-CD1 4.2Å; F232-L504 HydrophobicContact CD2-CD1 3.62Å; F232-L504 HydrophobicContact CE2-CD1 4.31Å; F232-L504 HydrophobicContact CG-CD1 3.56Å; F232-L508 HydrophobicContact CD2-CD1 4.16Å; F232-L508 HydrophobicContact CD2-CG 4.03Å; F232-L508 HydrophobicContact CE2-CG 4.15Å
233	T	83	Confident	85.8	Confident	69 Å²	69	56.8 Å²	56.8	42%	0.423	29%	0.294	S	S	.	.	H	α-helix	trans	-92.5	-14.8	-176.1	55.1	0	0	0	0	114.6	L229 S230 K231 Y235	L229-T233 WeakPolarHBondContact O-CB 3.44Å; L229-T233 WeakPolarHBondContact O-CG2 3.4Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 PolarHBondContact O-OG1 2.88Å; S230-T233 CarbonylContact O-C 3.52Å; S230-T233 PolarHBondContact O-N 2.87Å; S230-T233 VanDerWaalsContact O-N 3.1Å; S230-T233 PolarHBondContact O-OG1 3.03Å; K231-T233 VanDerWaalsContact C-N 3.32Å; K231-T233 PolarHBondContact O-N 2.91Å; T233-Y235 PolarHBondContact O-N 2.83Å; T233-Y235 VanDerWaalsContact O-N 3.13Å
234	R	86.1	Confident	86.7	Confident	93 Å²	93	52.8 Å²	52.8	35%	0.351	27%	0.273	S	S	.	.	S	Bend	trans	-48.9	-38.3	179.7	177.9	171	165.8	147	-0.7	113.8	S230 E545 N547	S230-R234 PolarHBondContact O-N 3.27Å; R234-E545 IonicContact CZ-OE1 3.97Å; R234-E545 IonicContact CZ-OE2 2.65Å; R234-E545 IonicContact NH1-OE1 3.77Å; R234-E545 PolarHBondContact NH1-OE1 2.83Å; R234-E545 IonicContact NH1-OE2 3.59Å; R234-E545 PolarHBondContact NH1-OE2 3.25Å; R234-E545 VanDerWaalsContact NH2-CD 3.32Å; R234-E545 IonicContact NH2-OE1 3.55Å; R234-E545 PolarHBondContact NH2-OE1 3.03Å; R234-E545 IonicContact NH2-OE2 3.28Å; R234-E545 PolarHBondContact NH2-OE2 3.46Å; R234-N547 PolarHBondContact NH2-OD1 2.98Å
235	Y	87	Confident	87.5	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.027	27%	0.27	C	S	.	.			trans	-115.1	148.6	175.6	-53.3	-55.6	0	0	0	111.9	R192 T233 Y487 N547 L563	R192-Y235 PolarHBondContact NH1-O 3.1Å; R192-Y235 PolarHBondContact NH2-O 2.84Å; T233-Y235 PolarHBondContact O-N 2.83Å; T233-Y235 VanDerWaalsContact O-N 3.13Å; Y235-Y487 HydrophobicContact CD2-CD1 4.34Å; Y235-Y487 AromaticContact CD2-CE1 3.87Å; Y235-Y487 HydrophobicContact CD2-CE1 3.87Å; Y235-Y487 HydrophobicContact CD2-CE2 4.5Å; Y235-Y487 AromaticContact CD2-CZ 3.96Å; Y235-Y487 HydrophobicContact CE2-CD1 4.32Å; Y235-Y487 HydrophobicContact CE2-CD2 4.13Å; Y235-Y487 AromaticContact CE2-CE1 3.9Å; Y235-Y487 HydrophobicContact CE2-CE1 3.9Å; Y235-Y487 AromaticContact CE2-CE2 3.71Å; Y235-Y487 HydrophobicContact CE2-CE2 3.71Å; Y235-Y487 HydrophobicContact CE2-CG 4.42Å; Y235-Y487 AromaticContact CE2-CZ 3.58Å; Y235-N547 HydrophobicContact CE1-CB 4.26Å; Y235-N547 PolarHBondContact OH-OD1 2.92Å; Y235-L563 HydrophobicContact CD1-CB 3.56Å; Y235-L563 HydrophobicContact CD2-CB 4.21Å; Y235-L563 HydrophobicContact CD2-CD1 3.84Å; Y235-L563 HydrophobicContact CE1-CB 3.8Å; Y235-L563 HydrophobicContact CE2-CB 4.39Å; Y235-L563 HydrophobicContact CE2-CD1 3.88Å; Y235-L563 HydrophobicContact CG-CB 3.8Å; Y235-L563 HydrophobicContact CG-CD1 4.24Å
236	N	85.3	Confident	88.1	Confident	62 Å²	62	49.2 Å²	49.2	33%	0.332	26%	0.264	S	S	.	.			trans	-144.4	-14.4	-178.7	74.5	107.5	0	0	0	114.5	V564	N236-V564 CarbonylContact C-O 3.58Å; N236-V564 PolarHBondContact N-O 3.14Å; N236-V564 VanDerWaalsContact ND2-C 3.3Å; N236-V564 PolarHBondContact ND2-O 3.07Å; N236-V564 VanDerWaalsContact ND2-O 3.07Å; N236-V564 PolarHBondContact ND2-OXT 2.93Å
237	S	86.4	Confident	88.3	Confident	59 Å²	59	47.7 Å²	47.7	41%	0.413	26%	0.262	S	S	.	.			trans	-143.6	171.2	179.1	-165.1	0	0	0	0	111.8	V564	S237-V564 PolarHBondContact N-O 2.86Å; S237-V564 PolarHBondContact O-N 3.39Å; S237-V564 VanDerWaalsContact O-N 3.13Å
238	V	93.5	Very high	87.5	Confident	25 Å²	25	45.8 Å²	45.8	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.5	171.4	-173.2	0	0	0	0	108.7	L509 F511 L561 E562 L563	V238-L509 HydrophobicContact CG2-CD1 3.37Å; V238-L509 HydrophobicContact CG2-CD2 3.93Å; V238-L509 HydrophobicContact CG2-CG 4.25Å; V238-F511 HydrophobicContact CB-CB 4.24Å; V238-F511 HydrophobicContact CB-CD2 4.12Å; V238-F511 HydrophobicContact CG1-CB 4.21Å; V238-F511 HydrophobicContact CG1-CD2 3.99Å; V238-F511 HydrophobicContact CG1-CG 4.25Å; V238-F511 HydrophobicContact CG2-CB 4.22Å; V238-L561 HydrophobicContact CG1-CB 3.83Å; V238-L561 HydrophobicContact CG1-CD1 4.4Å; V238-L561 HydrophobicContact CG1-CD2 4.1Å; V238-L561 HydrophobicContact CG1-CG 4.33Å; V238-E562 CarbonylContact C-O 3.59Å; V238-E562 WeakPolarHBondContact CA-O 3.43Å; V238-L563 HydrophobicContact CG1-CD2 4.35Å; V238-L563 HydrophobicContact CG2-CD2 3.81Å
239	R	94.4	Very high	86.4	Confident	145 Å²	145	49.5 Å²	49.5	55%	0.547	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.9	179.3	179.2	-179.7	170.3	-146.7	3.4	110.3	L241 E562 V564	R239-L241 PolarHBondContact O-N 2.98Å; R239-E562 HydrophobicContact CB-CB 4.38Å; R239-E562 WeakPolarHBondContact CD-OE2 3.46Å; R239-E562 IonicContact CZ-OE2 2.66Å; R239-E562 PolarHBondContact N-O 3.47Å; R239-E562 IonicContact NE-OE2 3.3Å; R239-E562 IonicContact NH1-OE2 3.46Å; R239-E562 PolarHBondContact NH1-OE2 2.86Å; R239-E562 PolarHBondContact O-N 2.9Å; R239-V564 HydrophobicContact CB-CG2 4.14Å
240	P	94.3	Very high	85.2	Confident	59 Å²	59	56.8 Å²	56.8	38%	0.383	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	131.5	166	-21.5	34.1	0	0	0	111.2	F511 V560 L561	P240-F511 HydrophobicContact CG-CE2 3.77Å; P240-F511 HydrophobicContact CG-CZ 4.07Å; P240-V560 WeakPolarHBondContact CA-O 3.33Å; P240-L561 HydrophobicContact CB-CD2 4.22Å; P240-L561 HydrophobicContact CG-CD2 4.1Å
241	L	94.3	Very high	84	Confident	51 Å²	51	64 Å²	64	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-46.5	170.8	-58.9	-174.3	0	0	0	110.9	R239 I287 V548 V560 E562	R239-L241 PolarHBondContact O-N 2.98Å; L241-I287 HydrophobicContact CB-CG2 4.17Å; L241-I287 HydrophobicContact CD1-CG2 4.36Å; L241-V548 HydrophobicContact CD1-CG2 4.44Å; L241-V560 HydrophobicContact CB-CB 4.27Å; L241-V560 HydrophobicContact CB-CG1 4.17Å; L241-V560 HydrophobicContact CD1-CG1 4.18Å; L241-V560 PolarHBondContact N-O 3.17Å; L241-E562 HydrophobicContact CD1-CB 4.1Å; L241-E562 HydrophobicContact CD2-CB 3.93Å; L241-E562 HydrophobicContact CG-CB 3.97Å
242	A	94.3	Very high	82.6	Confident	11 Å²	11	65.4 Å²	65.4	9%	0.091	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.8	-179.7	0	0	0	0	0	111.5	V286 K559 V560	A242-V286 HydrophobicContact CB-CG1 3.81Å; A242-V286 WeakPolarHBondContact CB-O 3.11Å; A242-K559 WeakPolarHBondContact O-CA 3.42Å; A242-V560 HydrophobicContact CB-CB 4.23Å; A242-V560 HydrophobicContact CB-CG2 4.03Å; A242-V560 PolarHBondContact O-N 3.47Å
243	T	93.8	Very high	82	Confident	67 Å²	67	69.5 Å²	69.5	41%	0.411	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128	173.1	-60.1	0	0	0	0	109.5	T557 I558 K559	T243-T557 HydrophobicContact CG2-CG2 4.02Å; T243-I558 CarbonylContact C-O 3.58Å; T243-I558 VanDerWaalsContact CA-O 3.3Å; T243-I558 WeakPolarHBondContact CA-O 3.3Å; T243-K559 HydrophobicContact CG2-CG 4.09Å; T243-K559 PolarHBondContact OG1-NZ 2.85Å; T243-K559 VanDerWaalsContact OG1-NZ 3.17Å
244	L	92.8	Very high	82.2	Confident	8 Å²	8	68.6 Å²	68.6	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	157.9	-179.2	-44.3	83.6	0	0	0	110.8	F269 Y281 V286 H294 I558 V560	L244-F269 HydrophobicContact CD2-CE2 4.49Å; L244-F269 HydrophobicContact CD2-CZ 4.13Å; L244-Y281 HydrophobicContact CD2-CD1 3.96Å; L244-Y281 HydrophobicContact CD2-CE1 3.86Å; L244-Y281 HydrophobicContact CD2-CE2 4.46Å; L244-Y281 HydrophobicContact CD2-CG 4.3Å; L244-V286 HydrophobicContact CD1-CG1 3.9Å; L244-V286 HydrophobicContact CD2-CG1 3.95Å; L244-V286 HydrophobicContact CD2-CG2 3.91Å; L244-V286 HydrophobicContact CG-CG1 4.24Å; L244-H294 HydrophobicContact CD2-CB 3.9Å; L244-H294 HydrophobicContact CG-CB 4.31Å; L244-I558 HydrophobicContact CB-CB 4.12Å; L244-I558 HydrophobicContact CB-CD1 3.96Å; L244-I558 HydrophobicContact CD1-CB 4.2Å; L244-I558 HydrophobicContact CD1-CG2 3.91Å; L244-I558 PolarHBondContact N-O 2.79Å; L244-I558 PolarHBondContact O-N 2.83Å; L244-V560 HydrophobicContact CD1-CG2 4.32Å
245	S	91.8	Very high	82.5	Confident	67 Å²	67	65 Å²	65	47%	0.469	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127	169.3	176.4	0	0	0	0	111.1	A247	S245-A247 PolarHBondContact OG-N 3.48Å; S245-A247 PolarHBondContact OG-O 3.24Å; S245-A247 VanDerWaalsContact OG-O 3.09Å
246	Y	90.4	Very high	82.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-72.3	-31.5	171.2	-173	-118	0	0	0	112.3	S248 S255 V257 I271 G273 T275 K277 K279 G556	Y246-S248 PolarHBondContact O-N 2.76Å; Y246-S255 WeakPolarHBondContact CD1-O 3.49Å; Y246-V257 HydrophobicContact CD1-CG2 3.75Å; Y246-V257 HydrophobicContact CD2-CG2 4.01Å; Y246-V257 HydrophobicContact CE1-CG2 4.41Å; Y246-V257 HydrophobicContact CG-CG2 3.52Å; Y246-I271 HydrophobicContact CD2-CB 4.3Å; Y246-I271 HydrophobicContact CD2-CG2 3.47Å; Y246-I271 VanDerWaalsContact CD2-CG2 3.47Å; Y246-I271 HydrophobicContact CE2-CB 4.31Å; Y246-I271 HydrophobicContact CE2-CG2 3.66Å; Y246-I271 HydrophobicContact CG-CG2 4.34Å; Y246-G273 PolarHBondContact OH-N 3.18Å; Y246-T275 HydrophobicContact CD1-CG2 4.07Å; Y246-T275 HydrophobicContact CE1-CG2 3.7Å; Y246-T275 WeakPolarHBondContact CE1-OG1 3.25Å; Y246-T275 PolarHBondContact OH-OG1 3.28Å; Y246-K277 PolarHBondContact OH-O 2.97Å; Y246-K279 HydrophobicContact CD2-CD 4.3Å; Y246-K279 HydrophobicContact CE2-CD 4.39Å; Y246-K279 PolarHBondContact O-NZ 2.77Å; Y246-G556 WeakPolarHBondContact CB-O 3.43Å; Y246-G556 PolarHBondContact N-O 3.17Å
247	A	83.5	Confident	83.5	Confident	30 Å²	30	63.8 Å²	63.8	25%	0.248	37%	0.366	C	S	.	.			trans	-71.7	121.2	177.3	0	0	0	0	0	111	S245	S245-A247 PolarHBondContact OG-N 3.48Å; S245-A247 PolarHBondContact OG-O 3.24Å; S245-A247 VanDerWaalsContact OG-O 3.09Å
248	S	65.4	Low	84.1	Confident	57 Å²	57	62 Å²	62	40%	0.399	35%	0.354	S	S	.	.			trans	-82.4	-21.7	168.7	41.9	0	0	0	0	113.2	Y246 K277	Y246-S248 PolarHBondContact O-N 2.76Å; S248-K277 PolarHBondContact OG-NZ 3.47Å; S248-K277 VanDerWaalsContact OG-NZ 3.14Å
249	D	62.4	Low	84.3	Confident	82 Å²	82	61.2 Å²	61.2	44%	0.439	35%	0.349	S	S	.	.			trans	-135.8	127.1	-164.4	-54.6	-89.4	0	0	0	111.4	Y251 N252	D249-Y251 PolarHBondContact O-N 3.02Å; D249-N252 PolarHBondContact O-N 3.08Å
250	L	56.2	Low	84.5	Confident	180 Å²	180	54.4 Å²	54.4	94%	0.942	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.2	176.9	-72.2	158.7	0	0	0	114.2
251	Y	57.4	Low	84.7	Confident	224 Å²	224	53.5 Å²	53.5	88%	0.878	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-6.9	-177.4	-60.9	-77.1	0	0	0	114	D249 G253	D249-Y251 PolarHBondContact O-N 3.02Å; Y251-G253 PolarHBondContact O-N 3.04Å
252	N	57.8	Low	84.9	Confident	75 Å²	75	51.9 Å²	51.9	40%	0.401	31%	0.305	S	S	.	.			trans	-79.3	103.8	178.3	-94.1	-32.2	0	0	0	111	D249 S254	D249-N252 PolarHBondContact O-N 3.08Å; N252-S254 PolarHBondContact O-N 3.29Å
253	G	71.1	Confident	85.1	Confident	88 Å²	88	51.6 Å²	51.6	91%	0.907	30%	0.302	S	S	*	.	S	Bend	trans	-65.7	3.9	-177	0	0	0	0	0	116.9	Y251	Y251-G253 PolarHBondContact O-N 3.04Å
254	S	87.7	Confident	85.1	Confident	50 Å²	50	53.8 Å²	53.8	35%	0.35	30%	0.303	S	S	.	.			trans	-159.6	134.4	168.1	-168.5	0	0	0	0	111.3	N252 V274	N252-S254 PolarHBondContact O-N 3.29Å; S254-V274 WeakPolarHBondContact O-CG2 3.39Å
255	S	92.9	Very high	85.2	Confident	17 Å²	17	55.6 Å²	55.6	12%	0.119	31%	0.313	C	S	.	.			trans	-130.1	20.5	-171.6	42.2	0	0	0	0	112.6	Y246 V257 Q555 G556	Y246-S255 WeakPolarHBondContact CD1-O 3.49Å; S255-V257 PolarHBondContact O-N 3.29Å; S255-V257 VanDerWaalsContact O-N 3.16Å; S255-Q555 WeakPolarHBondContact CB-O 3.39Å; S255-Q555 PolarHBondContact OG-O 3.49Å; S255-G556 WeakPolarHBondContact O-CA 3.18Å; S255-G556 PolarHBondContact O-N 3.47Å
256	I	95.4	Very high	85.4	Confident	44 Å²	44	52.7 Å²	52.7	23%	0.226	29%	0.292	C	S	.	.			trans	-56.3	118.3	179	-55.6	164.2	0	0	0	110.5	G273 V274 F532 S554	I256-G273 WeakPolarHBondContact O-CA 3.43Å; I256-V274 HydrophobicContact CB-CG1 4.04Å; I256-V274 HydrophobicContact CB-CG2 3.95Å; I256-V274 PolarHBondContact O-N 2.64Å; I256-F532 HydrophobicContact CD1-CZ 4.27Å; I256-F532 HydrophobicContact CG2-CE2 4.46Å; I256-F532 HydrophobicContact CG2-CZ 4.29Å; I256-S554 WeakPolarHBondContact CG1-O 3.37Å
257	V	97.8	Very high	85.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.8	166.1	175.4	0	0	0	0	108.2	Y246 S255 I260 I271 S534 A535 A552 I558	Y246-V257 HydrophobicContact CD1-CG2 3.75Å; Y246-V257 HydrophobicContact CD2-CG2 4.01Å; Y246-V257 HydrophobicContact CE1-CG2 4.41Å; Y246-V257 HydrophobicContact CG-CG2 3.52Å; S255-V257 PolarHBondContact O-N 3.29Å; S255-V257 VanDerWaalsContact O-N 3.16Å; V257-I260 HydrophobicContact CG1-CD1 4.25Å; V257-I260 HydrophobicContact CG1-CG1 3.76Å; V257-I271 HydrophobicContact CB-CG2 4.32Å; V257-I271 HydrophobicContact CG1-CG2 3.55Å; V257-I271 HydrophobicContact CG2-CG2 3.77Å; V257-S534 VanDerWaalsContact O-CB 3.24Å; V257-S534 WeakPolarHBondContact O-CB 3.5Å; V257-S534 PolarHBondContact O-OG 2.87Å; V257-A535 HydrophobicContact CG1-CB 3.75Å; V257-A552 HydrophobicContact CB-CB 3.84Å; V257-A552 HydrophobicContact CG1-CB 4.02Å; V257-A552 HydrophobicContact CG2-CB 3.92Å; V257-I558 HydrophobicContact CG2-CG1 4.35Å
258	S	98.1	Very high	86.3	Confident	23 Å²	23	56.2 Å²	56.2	16%	0.161	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-26.2	178.9	70.2	0	0	0	0	112.7	A272 I306 S307	S258-A272 PolarHBondContact N-O 3.25Å; S258-A272 PolarHBondContact OG-O 3.43Å; S258-I306 PolarHBondContact OG-O 3.41Å; S258-S307 VanDerWaalsContact CB-O 3.23Å; S258-S307 WeakPolarHBondContact CB-O 3.24Å; S258-S307 VanDerWaalsContact OG-C 3.32Å; S258-S307 PolarHBondContact OG-O 2.83Å
259	S	98.6	Very high	87.9	Confident	8 Å²	8	53.5 Å²	53.5	6%	0.056	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	141.5	-174.5	-177.6	0	0	0	0	111.4	A272 I309	S259-A272 PolarHBondContact N-O 2.72Å; S259-A272 PolarHBondContact O-N 2.68Å; S259-I309 WeakPolarHBondContact OG-CG1 3.4Å; S259-I309 PolarHBondContact OG-N 2.65Å
260	I	98.7	Very high	89.6	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	131	172.1	-55.2	170.3	0	0	0	104.4	V257 A270 I271 A535 C537 I550 A552	V257-I260 HydrophobicContact CG1-CD1 4.25Å; V257-I260 HydrophobicContact CG1-CG1 3.76Å; I260-A270 WeakPolarHBondContact CA-O 3.37Å; I260-I271 HydrophobicContact CG1-CD1 4.47Å; I260-I271 HydrophobicContact CG1-CG1 4.21Å; I260-I271 HydrophobicContact CG1-CG2 4.38Å; I260-I271 HydrophobicContact CG2-CG1 4.28Å; I260-A535 HydrophobicContact CD1-CB 4.04Å; I260-A535 HydrophobicContact CG1-CB 3.91Å; I260-C537 HydrophobicContact CB-CB 4.18Å; I260-C537 HydrophobicContact CG2-CB 4.12Å; I260-C537 VanDerWaalsContact O-CB 3.28Å; I260-C537 WeakPolarHBondContact O-CB 3.4Å; I260-I550 HydrophobicContact CD1-CG2 3.93Å; I260-I550 HydrophobicContact CG2-CB 4.31Å; I260-I550 HydrophobicContact CG2-CG2 4.3Å; I260-A552 HydrophobicContact CD1-CB 3.78Å
261	E	98.6	Very high	91.7	Very high	40 Å²	40	41 Å²	41	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.9	168.8	-62.6	-67	-179.3	0	0	109.2	A270 I309 W311 K439 C537	E261-A270 PolarHBondContact N-O 2.6Å; E261-A270 PolarHBondContact O-N 2.82Å; E261-I309 WeakPolarHBondContact CG-O 3.38Å; E261-W311 PolarHBondContact O-NE1 3.18Å; E261-W311 VanDerWaalsContact O-NE1 3.1Å; E261-K439 IonicContact OE1-NZ 3.22Å; E261-K439 PolarHBondContact OE1-NZ 3.16Å; E261-C537 PolarHBondContact OE2-SG 3.26Å
262	F	98.1	Very high	93.6	Very high	17 Å²	17	30.3 Å²	30.3	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	153	173.3	-82.6	-88.5	0	0	0	111.7	C266 Y268 F269 Y283 R539 I550	F262-C266 HydrophobicContact CD1-CB 4.14Å; F262-Y268 WeakPolarHBondContact CA-O 3.43Å; F262-Y268 WeakPolarHBondContact CD1-O 3.46Å; F262-F269 HydrophobicContact CD1-CB 3.89Å; F262-F269 HydrophobicContact CE1-CB 3.97Å; F262-F269 HydrophobicContact CE1-CD1 4.08Å; F262-F269 HydrophobicContact CE1-CG 4.45Å; F262-F269 HydrophobicContact CG-CB 4.2Å; F262-F269 HydrophobicContact CZ-CB 4.34Å; F262-F269 HydrophobicContact CZ-CD1 4.41Å; F262-Y283 AromaticContact CE1-CD2 3.72Å; F262-Y283 HydrophobicContact CE1-CD2 3.72Å; F262-Y283 HydrophobicContact CE1-CE2 4.46Å; F262-Y283 HydrophobicContact CE1-CG 4.19Å; F262-Y283 AromaticContact CZ-CD2 3.88Å; F262-Y283 HydrophobicContact CZ-CD2 3.88Å; F262-Y283 HydrophobicContact CZ-CE2 4.26Å; F262-R539 HydrophobicContact CD1-CG 4.08Å; F262-R539 HydrophobicContact CD2-CB 4.16Å; F262-R539 HydrophobicContact CD2-CG 4.41Å; F262-R539 HydrophobicContact CE1-CB 4.11Å; F262-R539 HydrophobicContact CE1-CG 3.64Å; F262-R539 HydrophobicContact CE2-CB 3.56Å; F262-R539 HydrophobicContact CE2-CG 4.02Å; F262-R539 HydrophobicContact CG-CG 4.44Å; F262-R539 HydrophobicContact CZ-CB 3.53Å; F262-R539 HydrophobicContact CZ-CG 3.6Å; F262-I550 HydrophobicContact CE1-CD1 4.3Å; F262-I550 HydrophobicContact CE2-CD1 3.8Å; F262-I550 HydrophobicContact CE2-CG1 3.9Å; F262-I550 HydrophobicContact CZ-CD1 3.44Å; F262-I550 VanDerWaalsContact CZ-CD1 3.44Å; F262-I550 HydrophobicContact CZ-CG1 3.84Å
263	D	97.8	Very high	95.5	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	16%	0.158	C	C	.	.			trans	-66.7	169.6	165.9	95.5	-79.4	0	0	0	111.3	D265 C266 D267 Y268 W311 K316	D263-D265 PolarHBondContact O-N 3.02Å; D263-D265 PolarHBondContact OD2-N 3.42Å; D263-C266 PolarHBondContact O-N 3.36Å; D263-C266 VanDerWaalsContact O-N 3.12Å; D263-C266 PolarHBondContact OD1-N 2.79Å; D263-C266 VanDerWaalsContact OD1-N 3.13Å; D263-D267 PolarHBondContact OD1-N 2.91Å; D263-Y268 PolarHBondContact N-O 3.12Å; D263-Y268 PolarHBondContact OD1-N 3.41Å; D263-W311 HydrophobicContact CB-CD2 4Å; D263-W311 HydrophobicContact CB-CE3 4.25Å; D263-W311 HydrophobicContact CB-CG 4.32Å; D263-W311 HydrophobicContact CB-CZ2 4.44Å; D263-K316 VanDerWaalsContact OD2-CE 3.26Å; D263-K316 WeakPolarHBondContact OD2-CE 3.26Å; D263-K316 WeakPolarHBondContact OD2-CG 3.47Å
264	R	94.4	Very high	96.7	Very high	112 Å²	112	23.4 Å²	23.4	42%	0.423	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.2	-178.9	-173.5	-163.1	70.3	-164	-2.3	113.4	S313 Y314	R264-S313 WeakPolarHBondContact CD-O 3.38Å; R264-S313 WeakPolarHBondContact CG-O 3.39Å; R264-Y314 PolarHBondContact NH1-O 2.81Å
265	D	94.6	Very high	97	Very high	47 Å²	47	22 Å²	22	25%	0.251	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.6	-174.2	-59	-19.9	0	0	0	112.5	D263 D267 K316	D263-D265 PolarHBondContact O-N 3.02Å; D263-D265 PolarHBondContact OD2-N 3.42Å; D265-D267 PolarHBondContact O-N 3.38Å; D265-K316 WeakPolarHBondContact OD2-CD 3.4Å; D265-K316 VanDerWaalsContact OD2-CE 3.3Å; D265-K316 WeakPolarHBondContact OD2-CE 3.4Å; D265-K316 IonicContact OD2-NZ 3.02Å; D265-K316 PolarHBondContact OD2-NZ 2.67Å
266	C	95.8	Very high	97.2	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.034	12%	0.123	C	C	.	.	S	Bend	trans	60.7	25	-173.8	-71.7	0	0	0	0	114.7	F262 D263 R539 L541	F262-C266 HydrophobicContact CD1-CB 4.14Å; D263-C266 PolarHBondContact O-N 3.36Å; D263-C266 VanDerWaalsContact O-N 3.12Å; D263-C266 PolarHBondContact OD1-N 2.79Å; D263-C266 VanDerWaalsContact OD1-N 3.13Å; C266-R539 HydrophobicContact CB-CG 3.74Å; C266-R539 VanDerWaalsContact O-CZ 3.29Å; C266-R539 PolarHBondContact O-NE 2.99Å; C266-R539 PolarHBondContact O-NH2 2.89Å; C266-L541 HydrophobicContact CB-CD2 3.87Å
267	D	96	Very high	97.2	Very high	64 Å²	64	25.3 Å²	25.3	34%	0.342	12%	0.12	S	C	.	.	S	Bend	trans	-83.3	-31.2	172.2	-65.2	-26.2	0	0	0	111	D263 D265 Y283 K316	D263-D267 PolarHBondContact OD1-N 2.91Å; D265-D267 PolarHBondContact O-N 3.38Å; D267-Y283 WeakPolarHBondContact O-CB 3.3Å; D267-Y283 PolarHBondContact O-N 3.2Å; D267-K316 IonicContact OD2-NZ 3.22Å; D267-K316 PolarHBondContact OD2-NZ 2.59Å
268	Y	98.2	Very high	97.3	Very high	40 Å²	40	25.3 Å²	25.3	16%	0.157	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.9	-178.5	-64.7	-94.6	0	0	0	111.2	F262 D263 V280 Y281 E282 E297 F334	F262-Y268 WeakPolarHBondContact CA-O 3.43Å; F262-Y268 WeakPolarHBondContact CD1-O 3.46Å; D263-Y268 PolarHBondContact N-O 3.12Å; D263-Y268 PolarHBondContact OD1-N 3.41Å; Y268-V280 HydrophobicContact CD1-CG1 4.01Å; Y268-V280 HydrophobicContact CG-CG1 4.47Å; Y268-Y281 CarbonylContact C-O 3.54Å; Y268-Y281 VanDerWaalsContact CA-O 3.24Å; Y268-Y281 WeakPolarHBondContact CA-O 3.43Å; Y268-E282 HydrophobicContact CD1-CB 4.03Å; Y268-E282 HydrophobicContact CE1-CB 3.73Å; Y268-E282 HydrophobicContact CE1-CG 4.11Å; Y268-E297 HydrophobicContact CE1-CG 4.2Å; Y268-F334 AromaticContact CD1-CE1 3.78Å; Y268-F334 HydrophobicContact CD1-CE1 3.78Å; Y268-F334 HydrophobicContact CD1-CZ 4.47Å; Y268-F334 AromaticContact CD2-CE1 3.96Å; Y268-F334 HydrophobicContact CD2-CE1 3.96Å; Y268-F334 AromaticContact CD2-CZ 3.9Å; Y268-F334 HydrophobicContact CD2-CZ 3.9Å; Y268-F334 AromaticContact CE1-CE1 3.83Å; Y268-F334 HydrophobicContact CE1-CE1 3.83Å; Y268-F334 HydrophobicContact CE2-CE1 4.07Å; Y268-F334 HydrophobicContact CE2-CZ 4.2Å; Y268-F334 AromaticContact CG-CE1 3.85Å; Y268-F334 HydrophobicContact CG-CE1 3.85Å; Y268-F334 HydrophobicContact CG-CZ 4.08Å
269	F	98.4	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.8	166.1	61.6	-91.3	0	0	0	110.9	L244 F262 I271 Y281 Y283 V286 I550	L244-F269 HydrophobicContact CD2-CE2 4.49Å; L244-F269 HydrophobicContact CD2-CZ 4.13Å; F262-F269 HydrophobicContact CD1-CB 3.89Å; F262-F269 HydrophobicContact CE1-CB 3.97Å; F262-F269 HydrophobicContact CE1-CD1 4.08Å; F262-F269 HydrophobicContact CE1-CG 4.45Å; F262-F269 HydrophobicContact CG-CB 4.2Å; F262-F269 HydrophobicContact CZ-CB 4.34Å; F262-F269 HydrophobicContact CZ-CD1 4.41Å; F269-I271 HydrophobicContact CD2-CD1 3.89Å; F269-I271 HydrophobicContact CD2-CG1 3.81Å; F269-I271 HydrophobicContact CE2-CD1 3.62Å; F269-I271 HydrophobicContact CE2-CG1 4.03Å; F269-Y281 HydrophobicContact CD2-CD2 4.26Å; F269-Y281 AromaticContact CE2-CD2 3.64Å; F269-Y281 HydrophobicContact CE2-CD2 3.64Å; F269-Y281 AromaticContact CE2-CG 3.9Å; F269-Y281 HydrophobicContact CE2-CG 3.9Å; F269-Y281 HydrophobicContact CZ-CD2 4.22Å; F269-Y281 HydrophobicContact CZ-CG 4.01Å; F269-Y281 PolarHBondContact N-O 3.05Å; F269-Y281 PolarHBondContact O-N 3.35Å; F269-Y283 HydrophobicContact CD1-CD2 4.34Å; F269-Y283 HydrophobicContact CE1-CD2 4.39Å; F269-V286 HydrophobicContact CE1-CB 4.3Å; F269-V286 HydrophobicContact CE1-CG1 4.27Å; F269-V286 HydrophobicContact CE1-CG2 4.28Å; F269-V286 HydrophobicContact CZ-CB 4.38Å; F269-V286 HydrophobicContact CZ-CG1 4.08Å; F269-V286 HydrophobicContact CZ-CG2 4.07Å; F269-I550 HydrophobicContact CB-CD1 4.16Å; F269-I550 HydrophobicContact CD1-CD1 3.51Å; F269-I550 HydrophobicContact CD2-CD1 3.83Å; F269-I550 HydrophobicContact CE1-CD1 3.74Å; F269-I550 HydrophobicContact CE2-CD1 4.07Å; F269-I550 HydrophobicContact CG-CD1 3.55Å; F269-I550 HydrophobicContact CZ-CD1 4.01Å
270	A	98.7	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.9	173.3	0	0	0	0	0	110.1	I260 E261 I278 K279 V280 I309 W311 L319	I260-A270 WeakPolarHBondContact CA-O 3.37Å; E261-A270 PolarHBondContact N-O 2.6Å; E261-A270 PolarHBondContact O-N 2.82Å; A270-I278 HydrophobicContact CB-CG2 4.26Å; A270-K279 CarbonylContact C-O 3.56Å; A270-K279 WeakPolarHBondContact CA-O 3.44Å; A270-V280 HydrophobicContact CB-CG2 4.27Å; A270-I309 HydrophobicContact CB-CD1 3.56Å; A270-I309 WeakPolarHBondContact O-CD1 3.17Å; A270-W311 HydrophobicContact CB-CZ2 3.77Å; A270-L319 HydrophobicContact CB-CD2 3.91Å
271	I	98.6	Very high	97.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.3	177.3	-56.5	-167.9	0	0	0	109.2	Y246 V257 I260 F269 I278 K279 Y281 I558	Y246-I271 HydrophobicContact CD2-CB 4.3Å; Y246-I271 HydrophobicContact CD2-CG2 3.47Å; Y246-I271 VanDerWaalsContact CD2-CG2 3.47Å; Y246-I271 HydrophobicContact CE2-CB 4.31Å; Y246-I271 HydrophobicContact CE2-CG2 3.66Å; Y246-I271 HydrophobicContact CG-CG2 4.34Å; V257-I271 HydrophobicContact CB-CG2 4.32Å; V257-I271 HydrophobicContact CG1-CG2 3.55Å; V257-I271 HydrophobicContact CG2-CG2 3.77Å; I260-I271 HydrophobicContact CG1-CD1 4.47Å; I260-I271 HydrophobicContact CG1-CG1 4.21Å; I260-I271 HydrophobicContact CG1-CG2 4.38Å; I260-I271 HydrophobicContact CG2-CG1 4.28Å; F269-I271 HydrophobicContact CD2-CD1 3.89Å; F269-I271 HydrophobicContact CD2-CG1 3.81Å; F269-I271 HydrophobicContact CE2-CD1 3.62Å; F269-I271 HydrophobicContact CE2-CG1 4.03Å; I271-I278 WeakPolarHBondContact O-CA 3.26Å; I271-K279 PolarHBondContact N-O 2.96Å; I271-K279 PolarHBondContact O-N 3.44Å; I271-Y281 HydrophobicContact CD1-CD2 4.44Å; I271-Y281 HydrophobicContact CD1-CE2 4.31Å; I271-I558 HydrophobicContact CD1-CB 4.48Å; I271-I558 HydrophobicContact CD1-CD1 3.49Å; I271-I558 VanDerWaalsContact CD1-CD1 3.49Å; I271-I558 HydrophobicContact CD1-CG1 3.9Å; I271-I558 HydrophobicContact CD1-CG2 3.86Å; I271-I558 HydrophobicContact CG2-CD1 4.44Å
272	A	98.4	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.1	179.9	0	0	0	0	0	112.7	S258 S259 I278 I306 I309	S258-A272 PolarHBondContact N-O 3.25Å; S258-A272 PolarHBondContact OG-O 3.43Å; S259-A272 PolarHBondContact N-O 2.72Å; S259-A272 PolarHBondContact O-N 2.68Å; A272-I278 HydrophobicContact CB-CG1 4.22Å; A272-I306 HydrophobicContact CB-CB 4.1Å; A272-I306 HydrophobicContact CB-CD1 4.15Å; A272-I306 HydrophobicContact CB-CG2 3.63Å; A272-I309 HydrophobicContact CB-CD1 4.18Å; A272-I309 HydrophobicContact CB-CG1 4.28Å; A272-I309 HydrophobicContact CB-CG2 3.73Å
273	G	97.2	Very high	97.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-153.3	-178.1	0	0	0	0	0	115.6	Y246 I256 T275 K276 I306	Y246-G273 PolarHBondContact OH-N 3.18Å; I256-G273 WeakPolarHBondContact O-CA 3.43Å; G273-T275 VanDerWaalsContact C-N 3.26Å; G273-T275 PolarHBondContact O-N 2.94Å; G273-K276 PolarHBondContact O-N 3.46Å; G273-I306 PolarHBondContact O-N 2.88Å
274	V	96.1	Very high	97	Very high	18 Å²	18	28.6 Å²	28.6	11%	0.109	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.1	-166.3	-57.2	0	0	0	0	115.3	S254 I256 K276 K305	S254-V274 WeakPolarHBondContact O-CG2 3.39Å; I256-V274 HydrophobicContact CB-CG1 4.04Å; I256-V274 HydrophobicContact CB-CG2 3.95Å; I256-V274 PolarHBondContact O-N 2.64Å; V274-K276 PolarHBondContact O-N 3.46Å; V274-K305 HydrophobicContact CB-CD 4.01Å; V274-K305 HydrophobicContact CB-CG 4.41Å; V274-K305 HydrophobicContact CG1-CD 4.21Å
275	T	95.1	Very high	97	Very high	21 Å²	21	26.1 Å²	26.1	13%	0.129	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.1	174.3	59.7	0	0	0	0	113.5	Y246 G273 K277	Y246-T275 HydrophobicContact CD1-CG2 4.07Å; Y246-T275 HydrophobicContact CE1-CG2 3.7Å; Y246-T275 WeakPolarHBondContact CE1-OG1 3.25Å; Y246-T275 PolarHBondContact OH-OG1 3.28Å; G273-T275 VanDerWaalsContact C-N 3.26Å; G273-T275 PolarHBondContact O-N 2.94Å; T275-K277 PolarHBondContact O-N 2.83Å
276	K	96.4	Very high	97	Very high	89 Å²	89	24.1 Å²	24.1	39%	0.387	12%	0.121	S	C	.	.	S	Bend	trans	65.6	13.5	-177	-41.1	-175.8	173.9	-171.7	0	115.6	G273 V274 C302 N303 S304	G273-K276 PolarHBondContact O-N 3.46Å; V274-K276 PolarHBondContact O-N 3.46Å; K276-C302 WeakPolarHBondContact CB-O 3.18Å; K276-C302 WeakPolarHBondContact O-CB 3.26Å; K276-C302 PolarHBondContact O-N 3.1Å; K276-N303 WeakPolarHBondContact CD-O 3.35Å; K276-N303 WeakPolarHBondContact CE-O 3.37Å; K276-N303 PolarHBondContact NZ-O 2.85Å; K276-S304 WeakPolarHBondContact CB-O 3.3Å; K276-S304 WeakPolarHBondContact CG-O 3.4Å
277	K	96.6	Very high	96.9	Very high	40 Å²	40	26.7 Å²	26.7	17%	0.174	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	153.4	177.1	-68.5	170.5	161.6	-151.7	0	110.9	Y246 S248 T275 E299 M300 I306	Y246-K277 PolarHBondContact OH-O 2.97Å; S248-K277 PolarHBondContact OG-NZ 3.47Å; S248-K277 VanDerWaalsContact OG-NZ 3.14Å; T275-K277 PolarHBondContact O-N 2.83Å; K277-E299 HydrophobicContact CB-CG 4.31Å; K277-E299 HydrophobicContact CD-CG 4.29Å; K277-E299 WeakPolarHBondContact CD-OE2 3.16Å; K277-E299 WeakPolarHBondContact CE-OE1 3.2Å; K277-E299 HydrophobicContact CG-CG 4.32Å; K277-E299 IonicContact NZ-OE1 2.89Å; K277-E299 PolarHBondContact NZ-OE1 2.98Å; K277-E299 IonicContact NZ-OE2 2.98Å; K277-E299 PolarHBondContact NZ-OE2 3.25Å; K277-M300 CarbonylContact C-O 3.54Å; K277-M300 VanDerWaalsContact CA-O 3.32Å; K277-M300 WeakPolarHBondContact CA-O 3.48Å; K277-I306 WeakPolarHBondContact O-CD1 3.31Å
278	I	98.4	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.5	160.3	-52.9	170.7	0	0	0	105.9	A270 I271 A272 E299 M300 I306 I309 L319 W331	A270-I278 HydrophobicContact CB-CG2 4.26Å; I271-I278 WeakPolarHBondContact O-CA 3.26Å; A272-I278 HydrophobicContact CB-CG1 4.22Å; I278-E299 WeakPolarHBondContact O-CA 3.4Å; I278-M300 HydrophobicContact CB-CB 4.26Å; I278-M300 HydrophobicContact CB-CE 4.15Å; I278-M300 HydrophobicContact CG2-CE 3.94Å; I278-M300 PolarHBondContact N-O 2.85Å; I278-M300 PolarHBondContact O-N 3.47Å; I278-I306 HydrophobicContact CG1-CD1 3.65Å; I278-I309 HydrophobicContact CD1-CG2 4.29Å; I278-L319 HydrophobicContact CG2-CD2 3.91Å; I278-W331 HydrophobicContact CD1-CZ2 4.42Å
279	K	98.1	Very high	95.6	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125	177.9	-71.8	-179.9	170	179.6	0	109.3	Y246 A270 I271 Y281 P296 E299	Y246-K279 HydrophobicContact CD2-CD 4.3Å; Y246-K279 HydrophobicContact CE2-CD 4.39Å; Y246-K279 PolarHBondContact O-NZ 2.77Å; A270-K279 CarbonylContact C-O 3.56Å; A270-K279 WeakPolarHBondContact CA-O 3.44Å; I271-K279 PolarHBondContact N-O 2.96Å; I271-K279 PolarHBondContact O-N 3.44Å; K279-Y281 HydrophobicContact CB-CD2 4.32Å; K279-Y281 HydrophobicContact CB-CE2 3.64Å; K279-Y281 HydrophobicContact CD-CE2 4.31Å; K279-P296 HydrophobicContact CB-CB 4.03Å; K279-P296 HydrophobicContact CD-CG 4.43Å; K279-P296 HydrophobicContact CG-CB 4.33Å; K279-P296 HydrophobicContact CG-CG 4.27Å; K279-E299 WeakPolarHBondContact CE-OE2 3.35Å; K279-E299 HydrophobicContact CG-CG 4.05Å
280	V	98.5	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.1	174.8	-177.3	0	0	0	0	108.6	Y268 A270 P296 E297 N298 M300 W311 F334	Y268-V280 HydrophobicContact CD1-CG1 4.01Å; Y268-V280 HydrophobicContact CG-CG1 4.47Å; A270-V280 HydrophobicContact CB-CG2 4.27Å; V280-P296 CarbonylContact O-C 3.52Å; V280-P296 VanDerWaalsContact O-CA 3.26Å; V280-P296 WeakPolarHBondContact O-CA 3.22Å; V280-P296 VanDerWaalsContact O-CB 3.23Å; V280-P296 WeakPolarHBondContact O-CB 3.19Å; V280-E297 PolarHBondContact O-N 2.99Å; V280-N298 HydrophobicContact CB-CB 4.46Å; V280-N298 PolarHBondContact N-O 3.12Å; V280-M300 HydrophobicContact CG2-CE 3.71Å; V280-W311 HydrophobicContact CG1-CH2 4.29Å; V280-W311 HydrophobicContact CG1-CZ2 4.17Å; V280-W311 HydrophobicContact CG2-CH2 4.36Å; V280-W311 HydrophobicContact CG2-CZ2 4.25Å; V280-F334 HydrophobicContact CG1-CE1 4.35Å
281	Y	98.1	Very high	93.2	Very high	3 Å²	3	41 Å²	41	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.1	178.8	-65.8	-89.9	0	0	0	110	L244 Y268 F269 I271 K279 V286 H294 P296	L244-Y281 HydrophobicContact CD2-CD1 3.96Å; L244-Y281 HydrophobicContact CD2-CE1 3.86Å; L244-Y281 HydrophobicContact CD2-CE2 4.46Å; L244-Y281 HydrophobicContact CD2-CG 4.3Å; Y268-Y281 CarbonylContact C-O 3.54Å; Y268-Y281 VanDerWaalsContact CA-O 3.24Å; Y268-Y281 WeakPolarHBondContact CA-O 3.43Å; F269-Y281 HydrophobicContact CD2-CD2 4.26Å; F269-Y281 AromaticContact CE2-CD2 3.64Å; F269-Y281 HydrophobicContact CE2-CD2 3.64Å; F269-Y281 AromaticContact CE2-CG 3.9Å; F269-Y281 HydrophobicContact CE2-CG 3.9Å; F269-Y281 HydrophobicContact CZ-CD2 4.22Å; F269-Y281 HydrophobicContact CZ-CG 4.01Å; F269-Y281 PolarHBondContact N-O 3.05Å; F269-Y281 PolarHBondContact O-N 3.35Å; I271-Y281 HydrophobicContact CD1-CD2 4.44Å; I271-Y281 HydrophobicContact CD1-CE2 4.31Å; K279-Y281 HydrophobicContact CB-CD2 4.32Å; K279-Y281 HydrophobicContact CB-CE2 3.64Å; K279-Y281 HydrophobicContact CD-CE2 4.31Å; Y281-V286 HydrophobicContact CD1-CG2 4.18Å; Y281-V286 HydrophobicContact CG-CG2 4.48Å; Y281-H294 HydrophobicContact CE1-CB 4.28Å; Y281-P296 HydrophobicContact CD1-CB 4.19Å; Y281-P296 HydrophobicContact CE1-CB 3.93Å; Y281-P296 HydrophobicContact CE2-CB 4.37Å
282	E	97.4	Very high	91.9	Very high	72 Å²	72	49.2 Å²	49.2	34%	0.336	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131	166	-172.5	179.5	-129.2	0	0	109.7	Y268 T285 V286	Y268-E282 HydrophobicContact CD1-CB 4.03Å; Y268-E282 HydrophobicContact CE1-CB 3.73Å; Y268-E282 HydrophobicContact CE1-CG 4.11Å; E282-T285 WeakPolarHBondContact OE2-CB 3.5Å; E282-T285 PolarHBondContact OE2-OG1 3.31Å; E282-V286 WeakPolarHBondContact O-CB 3.27Å; E282-V286 VanDerWaalsContact O-CG2 3.28Å; E282-V286 WeakPolarHBondContact O-CG2 3.38Å; E282-V286 PolarHBondContact O-N 3.45Å
283	Y	96.3	Very high	91	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.027	30%	0.296	C	S	.	.	H	α-helix	trans	-68.5	-46.6	-173.5	172.8	-92.6	0	0	0	112.6	F262 D267 F269 V286 I287 R539 V548 V560	F262-Y283 AromaticContact CE1-CD2 3.72Å; F262-Y283 HydrophobicContact CE1-CD2 3.72Å; F262-Y283 HydrophobicContact CE1-CE2 4.46Å; F262-Y283 HydrophobicContact CE1-CG 4.19Å; F262-Y283 AromaticContact CZ-CD2 3.88Å; F262-Y283 HydrophobicContact CZ-CD2 3.88Å; F262-Y283 HydrophobicContact CZ-CE2 4.26Å; D267-Y283 WeakPolarHBondContact O-CB 3.3Å; D267-Y283 PolarHBondContact O-N 3.2Å; F269-Y283 HydrophobicContact CD1-CD2 4.34Å; F269-Y283 HydrophobicContact CE1-CD2 4.39Å; Y283-V286 PolarHBondContact O-N 2.63Å; Y283-I287 HydrophobicContact CD1-CD1 4.4Å; Y283-I287 HydrophobicContact CE1-CD1 3.59Å; Y283-I287 HydrophobicContact CE1-CG1 4.12Å; Y283-I287 HydrophobicContact CE1-CG2 4.36Å; Y283-I287 HydrophobicContact CE2-CG2 4.05Å; Y283-I287 PolarHBondContact O-N 2.61Å; Y283-I287 VanDerWaalsContact O-N 3.13Å; Y283-R539 VanDerWaalsContact CE1-CZ 3.4Å; Y283-V548 HydrophobicContact CE2-CG1 4.31Å; Y283-V560 HydrophobicContact CE2-CG1 3.9Å
284	D	94.8	Very high	90.5	Very high	72 Å²	72	55.5 Å²	55.5	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-68.3	-41.3	-174	-84.1	-7.7	0	0	0	112	V286 I287 Q288	D284-V286 VanDerWaalsContact C-N 3.32Å; D284-V286 PolarHBondContact O-N 2.99Å; D284-I287 WeakPolarHBondContact O-CG1 3.34Å; D284-I287 PolarHBondContact O-N 3.03Å; D284-Q288 WeakPolarHBondContact O-CB 3.3Å; D284-Q288 VanDerWaalsContact O-CG 3.27Å; D284-Q288 WeakPolarHBondContact O-CG 3.45Å; D284-Q288 PolarHBondContact O-N 2.8Å; D284-Q288 PolarHBondContact O-NE2 3.19Å
285	T	94.7	Very high	90.3	Very high	61 Å²	61	63.4 Å²	63.4	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-41.6	171.5	-70.4	0	0	0	0	111.5	E282 I287 Q288 D289	E282-T285 WeakPolarHBondContact OE2-CB 3.5Å; E282-T285 PolarHBondContact OE2-OG1 3.31Å; T285-I287 PolarHBondContact O-N 3.21Å; T285-Q288 PolarHBondContact O-N 3.17Å; T285-D289 WeakPolarHBondContact O-CB 3.35Å; T285-D289 PolarHBondContact O-N 2.91Å; T285-D289 VanDerWaalsContact O-N 3.11Å
286	V	95.3	Very high	90.3	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-32	177.6	163.4	0	0	0	0	113.8	A242 L244 F269 Y281 E282 Y283 D284 H294 V560	A242-V286 HydrophobicContact CB-CG1 3.81Å; A242-V286 WeakPolarHBondContact CB-O 3.11Å; L244-V286 HydrophobicContact CD1-CG1 3.9Å; L244-V286 HydrophobicContact CD2-CG1 3.95Å; L244-V286 HydrophobicContact CD2-CG2 3.91Å; L244-V286 HydrophobicContact CG-CG1 4.24Å; F269-V286 HydrophobicContact CE1-CB 4.3Å; F269-V286 HydrophobicContact CE1-CG1 4.27Å; F269-V286 HydrophobicContact CE1-CG2 4.28Å; F269-V286 HydrophobicContact CZ-CB 4.38Å; F269-V286 HydrophobicContact CZ-CG1 4.08Å; F269-V286 HydrophobicContact CZ-CG2 4.07Å; Y281-V286 HydrophobicContact CD1-CG2 4.18Å; Y281-V286 HydrophobicContact CG-CG2 4.48Å; E282-V286 WeakPolarHBondContact O-CB 3.27Å; E282-V286 VanDerWaalsContact O-CG2 3.28Å; E282-V286 WeakPolarHBondContact O-CG2 3.38Å; E282-V286 PolarHBondContact O-N 3.45Å; Y283-V286 PolarHBondContact O-N 2.63Å; D284-V286 VanDerWaalsContact C-N 3.32Å; D284-V286 PolarHBondContact O-N 2.99Å; V286-H294 PolarHBondContact O-CE1 3.12Å; V286-V560 HydrophobicContact CG1-CG2 4.08Å
287	I	93.1	Very high	90.2	Very high	58 Å²	58	66 Å²	66	30%	0.297	35%	0.346	S	S	.	.	H	α-helix	trans	-92.9	-13.1	179.1	63.3	158.7	0	0	0	114.5	L241 Y283 D284 T285 V560	L241-I287 HydrophobicContact CB-CG2 4.17Å; L241-I287 HydrophobicContact CD1-CG2 4.36Å; Y283-I287 HydrophobicContact CD1-CD1 4.4Å; Y283-I287 HydrophobicContact CE1-CD1 3.59Å; Y283-I287 HydrophobicContact CE1-CG1 4.12Å; Y283-I287 HydrophobicContact CE1-CG2 4.36Å; Y283-I287 HydrophobicContact CE2-CG2 4.05Å; Y283-I287 PolarHBondContact O-N 2.61Å; Y283-I287 VanDerWaalsContact O-N 3.13Å; D284-I287 WeakPolarHBondContact O-CG1 3.34Å; D284-I287 PolarHBondContact O-N 3.03Å; T285-I287 PolarHBondContact O-N 3.21Å; I287-V560 HydrophobicContact CG2-CG1 4.04Å
288	Q	89.1	Confident	90.3	Very high	142 Å²	142	65.6 Å²	65.6	66%	0.664	35%	0.346	S	S	*	.	H	α-helix	trans	-92	-40.7	177.5	-72.9	176.4	62.7	0	0	112.5	D284 T285 A290	D284-Q288 WeakPolarHBondContact O-CB 3.3Å; D284-Q288 VanDerWaalsContact O-CG 3.27Å; D284-Q288 WeakPolarHBondContact O-CG 3.45Å; D284-Q288 PolarHBondContact O-N 2.8Å; D284-Q288 PolarHBondContact O-NE2 3.19Å; T285-Q288 PolarHBondContact O-N 3.17Å; Q288-A290 PolarHBondContact O-N 3.13Å
289	D	79	Confident	90.2	Very high	83 Å²	83	69 Å²	69	44%	0.444	36%	0.362	S	S	.	.			trans	-79.3	109.2	-174.4	-80.1	-12.7	0	0	0	112.4	T285 V291 H294	T285-D289 WeakPolarHBondContact O-CB 3.35Å; T285-D289 PolarHBondContact O-N 2.91Å; T285-D289 VanDerWaalsContact O-N 3.11Å; D289-V291 HydrophobicContact CB-CG1 4.07Å; D289-V291 HydrophobicContact CB-CG2 3.9Å; D289-V291 PolarHBondContact O-N 2.86Å; D289-H294 PolarHBondContact O-CE1 3.12Å
290	A	69.6	Low	90.2	Very high	113 Å²	113	68.7 Å²	68.7	93%	0.934	36%	0.361	S	S	*	.			trans	-77.3	63.5	169.7	0	0	0	0	0	111.3	Q288	Q288-A290 PolarHBondContact O-N 3.13Å
291	V	76.9	Confident	90.1	Very high	66 Å²	66	72.6 Å²	72.6	40%	0.4	39%	0.385	S	S	.	.			trans	-113.7	148.2	-176.7	-65	0	0	0	0	112.3	D289 I293	D289-V291 HydrophobicContact CB-CG1 4.07Å; D289-V291 HydrophobicContact CB-CG2 3.9Å; D289-V291 PolarHBondContact O-N 2.86Å; V291-I293 WeakPolarHBondContact CG2-O 3.34Å; V291-I293 PolarHBondContact O-N 2.91Å
292	D	70.4	Confident	90	Very high	174 Å²	174	72.7 Å²	72.7	93%	0.93	39%	0.385	S	S	*	.	S	Bend	trans	-70.5	-18.6	175.6	-64.1	-49.8	0	0	0	113.2
293	I	79	Confident	90	Very high	104 Å²	104	74.3 Å²	74.3	53%	0.533	40%	0.397	S	S	.	.			trans	-138.7	109.3	-174.5	-54.1	178.6	0	0	0	109.8	V291 Y295	V291-I293 WeakPolarHBondContact CG2-O 3.34Å; V291-I293 PolarHBondContact O-N 2.91Å; I293-Y295 HydrophobicContact CB-CE2 4.35Å; I293-Y295 HydrophobicContact CG2-CD2 4.3Å; I293-Y295 HydrophobicContact CG2-CE1 4.29Å; I293-Y295 HydrophobicContact CG2-CE2 3.81Å
294	H	87.8	Confident	90	Very high	28 Å²	28	74.7 Å²	74.7	13%	0.13	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-88.2	123.7	167.5	-60.7	-84.2	0	0	0	110.4	L244 Y281 V286 D289	L244-H294 HydrophobicContact CD2-CB 3.9Å; L244-H294 HydrophobicContact CG-CB 4.31Å; Y281-H294 HydrophobicContact CE1-CB 4.28Å; V286-H294 PolarHBondContact O-CE1 3.12Å; D289-H294 PolarHBondContact O-CE1 3.12Å
295	Y	91.1	Very high	90.2	Very high	183 Å²	183	75.5 Å²	75.5	72%	0.718	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-87	142.8	172.9	-66.4	-88.1	0	0	0	110.5	I293	I293-Y295 HydrophobicContact CB-CE2 4.35Å; I293-Y295 HydrophobicContact CG2-CD2 4.3Å; I293-Y295 HydrophobicContact CG2-CE1 4.29Å; I293-Y295 HydrophobicContact CG2-CE2 3.81Å
296	P	95.1	Very high	90.4	Very high	36 Å²	36	72.6 Å²	72.6	23%	0.234	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-76.5	146.2	171.6	32.8	-33.8	0	0	0	110.9	K279 V280 Y281 N298 E299	K279-P296 HydrophobicContact CB-CB 4.03Å; K279-P296 HydrophobicContact CD-CG 4.43Å; K279-P296 HydrophobicContact CG-CB 4.33Å; K279-P296 HydrophobicContact CG-CG 4.27Å; V280-P296 CarbonylContact O-C 3.52Å; V280-P296 VanDerWaalsContact O-CA 3.26Å; V280-P296 WeakPolarHBondContact O-CA 3.22Å; V280-P296 VanDerWaalsContact O-CB 3.23Å; V280-P296 WeakPolarHBondContact O-CB 3.19Å; Y281-P296 HydrophobicContact CD1-CB 4.19Å; Y281-P296 HydrophobicContact CE1-CB 3.93Å; Y281-P296 HydrophobicContact CE2-CB 4.37Å; P296-N298 VanDerWaalsContact C-N 3.29Å; P296-E299 HydrophobicContact CG-CB 4.44Å
297	E	96	Very high	90.5	Very high	129 Å²	129	72.8 Å²	72.8	60%	0.603	38%	0.384	S	S	*	.	S	Bend	trans	-63.8	-36.6	172.1	179.2	61.9	-167.3	0	0	111	Y268 V280	Y268-E297 HydrophobicContact CE1-CG 4.2Å; V280-E297 PolarHBondContact O-N 2.99Å
298	N	97.4	Very high	90.8	Very high	31 Å²	31	70.9 Å²	70.9	17%	0.166	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146.1	173.3	-172	22.2	0	0	0	111.7	V280 P296 G333 F334 G336	V280-N298 HydrophobicContact CB-CB 4.46Å; V280-N298 PolarHBondContact N-O 3.12Å; P296-N298 VanDerWaalsContact C-N 3.29Å; N298-G333 PolarHBondContact ND2-O 2.85Å; N298-F334 PolarHBondContact ND2-O 2.78Å; N298-G336 PolarHBondContact ND2-N 3.06Å
299	E	97.1	Very high	91.3	Very high	71 Å²	71	64.1 Å²	64.1	33%	0.332	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	112.4	174.4	-170.6	-178.8	91	0	0	111	K277 I278 K279 P296	K277-E299 HydrophobicContact CB-CG 4.31Å; K277-E299 HydrophobicContact CD-CG 4.29Å; K277-E299 WeakPolarHBondContact CD-OE2 3.16Å; K277-E299 WeakPolarHBondContact CE-OE1 3.2Å; K277-E299 HydrophobicContact CG-CG 4.32Å; K277-E299 IonicContact NZ-OE1 2.89Å; K277-E299 PolarHBondContact NZ-OE1 2.98Å; K277-E299 IonicContact NZ-OE2 2.98Å; K277-E299 PolarHBondContact NZ-OE2 3.25Å; I278-E299 WeakPolarHBondContact O-CA 3.4Å; K279-E299 WeakPolarHBondContact CE-OE2 3.35Å; K279-E299 HydrophobicContact CG-CG 4.05Å; P296-E299 HydrophobicContact CG-CB 4.44Å
300	M	97.5	Very high	92.2	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.9	175.9	-66.4	161.9	-84.1	0	0	110.6	K277 I278 V280 L319 W331	K277-M300 CarbonylContact C-O 3.54Å; K277-M300 VanDerWaalsContact CA-O 3.32Å; K277-M300 WeakPolarHBondContact CA-O 3.48Å; I278-M300 HydrophobicContact CB-CB 4.26Å; I278-M300 HydrophobicContact CB-CE 4.15Å; I278-M300 HydrophobicContact CG2-CE 3.94Å; I278-M300 PolarHBondContact N-O 2.85Å; I278-M300 PolarHBondContact O-N 3.47Å; V280-M300 HydrophobicContact CG2-CE 3.71Å; M300-L319 HydrophobicContact CE-CD2 4.19Å; M300-W331 HydrophobicContact CB-CE3 4.12Å; M300-W331 HydrophobicContact CB-CH2 4.2Å; M300-W331 HydrophobicContact CB-CZ3 3.88Å; M300-W331 HydrophobicContact CG-CE3 3.95Å; M300-W331 HydrophobicContact CG-CZ3 4.09Å; M300-W331 HydrophobicContact SD-CB 3.88Å; M300-W331 HydrophobicContact SD-CD2 3.83Å; M300-W331 HydrophobicContact SD-CE3 3.64Å; M300-W331 HydrophobicContact SD-CG 3.97Å; M300-W331 HydrophobicContact SD-CZ3 4.36Å
301	T	96.9	Very high	93.6	Very high	82 Å²	82	56 Å²	56	50%	0.503	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.8	179.8	-63.9	0	0	0	0	112.3	R338	T301-R338 PolarHBondContact O-NH2 3.09Å
302	C	96.4	Very high	94.6	Very high	4 Å²	4	53 Å²	53	3%	0.027	27%	0.266	C	S	.	.			trans	-104.3	158.3	176.9	-62.9	0	0	0	0	111.7	K276 I306 W331	K276-C302 WeakPolarHBondContact CB-O 3.18Å; K276-C302 WeakPolarHBondContact O-CB 3.26Å; K276-C302 PolarHBondContact O-N 3.1Å; C302-I306 HydrophobicContact CB-CD1 4.13Å; C302-I306 HydrophobicContact CB-CG1 4.06Å; C302-W331 VanDerWaalsContact SG-CZ2 3.54Å
303	N	95.8	Very high	95.8	Very high	107 Å²	107	46.5 Å²	46.5	57%	0.572	24%	0.235	S	C	*	.	S	Bend	trans	-74.4	-29.8	177.1	-67.4	13.9	0	0	0	112	K276	K276-N303 WeakPolarHBondContact CD-O 3.35Å; K276-N303 WeakPolarHBondContact CE-O 3.37Å; K276-N303 PolarHBondContact NZ-O 2.85Å
304	S	97.7	Very high	96.7	Very high	15 Å²	15	45.9 Å²	45.9	11%	0.105	23%	0.226	C	C	.	.	S	Bend	trans	-125	174.6	-175	-160.7	0	0	0	0	112.9	K276 Y324	K276-S304 WeakPolarHBondContact CB-O 3.3Å; K276-S304 WeakPolarHBondContact CG-O 3.4Å; S304-Y324 WeakPolarHBondContact OG-CB 3.42Å
305	K	98.1	Very high	97.2	Very high	88 Å²	88	49 Å²	49	38%	0.383	24%	0.241	S	C	.	.			trans	-67.7	133.4	175.3	-63.7	-174.1	173.2	-175.8	0	109	V274 D323 Y324	V274-K305 HydrophobicContact CB-CD 4.01Å; V274-K305 HydrophobicContact CB-CG 4.41Å; V274-K305 HydrophobicContact CG1-CD 4.21Å; K305-D323 CarbonylContact O-C 3.55Å; K305-D323 WeakPolarHBondContact O-CA 3.22Å; K305-D323 WeakPolarHBondContact O-CB 3.49Å; K305-Y324 HydrophobicContact CB-CD1 3.94Å; K305-Y324 HydrophobicContact CB-CD2 3.91Å; K305-Y324 HydrophobicContact CB-CE1 4.26Å; K305-Y324 HydrophobicContact CB-CE2 4.26Å; K305-Y324 HydrophobicContact CB-CG 3.76Å; K305-Y324 HydrophobicContact CD-CD2 4.2Å; K305-Y324 HydrophobicContact CD-CE2 4.17Å; K305-Y324 WeakPolarHBondContact O-CD1 3.43Å; K305-Y324 PolarHBondContact O-N 2.82Å
306	I	98.7	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.8	-179	-57.8	144.4	0	0	0	108.3	S258 A272 G273 K277 I278 C302 I309 S322	S258-I306 PolarHBondContact OG-O 3.41Å; A272-I306 HydrophobicContact CB-CB 4.1Å; A272-I306 HydrophobicContact CB-CD1 4.15Å; A272-I306 HydrophobicContact CB-CG2 3.63Å; G273-I306 PolarHBondContact O-N 2.88Å; K277-I306 WeakPolarHBondContact O-CD1 3.31Å; I278-I306 HydrophobicContact CG1-CD1 3.65Å; C302-I306 HydrophobicContact CB-CD1 4.13Å; C302-I306 HydrophobicContact CB-CG1 4.06Å; I306-I309 HydrophobicContact CG2-CG2 4.23Å; I306-S322 WeakPolarHBondContact CG2-O 3.39Å
307	S	98.6	Very high	97.5	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-46.1	178.3	54	0	0	0	0	111.6	S258 S322 C349 W350	S258-S307 VanDerWaalsContact CB-O 3.23Å; S258-S307 WeakPolarHBondContact CB-O 3.24Å; S258-S307 VanDerWaalsContact OG-C 3.32Å; S258-S307 PolarHBondContact OG-O 2.83Å; S307-S322 PolarHBondContact N-O 3.36Å; S307-S322 PolarHBondContact OG-O 3.29Å; S307-S322 PolarHBondContact OG-OG 3.08Å; S307-C349 VanDerWaalsContact CB-O 3.26Å; S307-C349 WeakPolarHBondContact CB-O 3.41Å; S307-C349 PolarHBondContact OG-O 2.82Å; S307-W350 WeakPolarHBondContact CB-O 3.21Å; S307-W350 PolarHBondContact OG-O 2.96Å
308	C	98.9	Very high	97.6	Very high	18 Å²	18	39.3 Å²	39.3	12%	0.122	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154	-175.8	-168.4	0	0	0	0	110.9	S321 S322 W350	C308-S321 WeakPolarHBondContact O-CA 3.5Å; C308-S322 WeakPolarHBondContact CB-OG 3.31Å; C308-S322 PolarHBondContact N-OG 3.01Å; C308-S322 PolarHBondContact O-N 2.87Å; C308-S322 PolarHBondContact O-OG 2.9Å; C308-W350 WeakPolarHBondContact CB-O 3.23Å
309	I	98.9	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.3	169.8	47.8	165.9	0	0	0	109.7	S259 E261 A270 A272 I278 I306 L319 A320	S259-I309 WeakPolarHBondContact OG-CG1 3.4Å; S259-I309 PolarHBondContact OG-N 2.65Å; E261-I309 WeakPolarHBondContact CG-O 3.38Å; A270-I309 HydrophobicContact CB-CD1 3.56Å; A270-I309 WeakPolarHBondContact O-CD1 3.17Å; A272-I309 HydrophobicContact CB-CD1 4.18Å; A272-I309 HydrophobicContact CB-CG1 4.28Å; A272-I309 HydrophobicContact CB-CG2 3.73Å; I278-I309 HydrophobicContact CD1-CG2 4.29Å; I306-I309 HydrophobicContact CG2-CG2 4.23Å; I309-L319 HydrophobicContact CB-CD1 4.08Å; I309-A320 CarbonylContact C-O 3.53Å; I309-A320 WeakPolarHBondContact CA-O 3.32Å
310	S	98.8	Very high	97.8	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	124.4	177.9	-177.7	0	0	0	0	109.9	L319 A320 D353 F354	S310-L319 WeakPolarHBondContact O-CD1 3.39Å; S310-A320 PolarHBondContact N-O 3.41Å; S310-A320 PolarHBondContact O-N 2.85Å; S310-D353 PolarHBondContact OG-OD1 3.14Å; S310-F354 WeakPolarHBondContact O-CD2 3.46Å; S310-F354 VanDerWaalsContact O-CE2 3.3Å; S310-F354 WeakPolarHBondContact O-CE2 3.32Å; S310-F354 PolarHBondContact OG-N 3.35Å
311	W	98.7	Very high	97.8	Very high	18 Å²	18	34.2 Å²	34.2	7%	0.068	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	149.8	174.1	-70.5	96.5	0	0	0	111.4	E261 D263 A270 V280 K316 L319 F334 F354	E261-W311 PolarHBondContact O-NE1 3.18Å; E261-W311 VanDerWaalsContact O-NE1 3.1Å; D263-W311 HydrophobicContact CB-CD2 4Å; D263-W311 HydrophobicContact CB-CE3 4.25Å; D263-W311 HydrophobicContact CB-CG 4.32Å; D263-W311 HydrophobicContact CB-CZ2 4.44Å; A270-W311 HydrophobicContact CB-CZ2 3.77Å; V280-W311 HydrophobicContact CG1-CH2 4.29Å; V280-W311 HydrophobicContact CG1-CZ2 4.17Å; V280-W311 HydrophobicContact CG2-CH2 4.36Å; V280-W311 HydrophobicContact CG2-CZ2 4.25Å; W311-K316 WeakPolarHBondContact CZ3-O 3.4Å; W311-L319 HydrophobicContact CD2-CB 4.2Å; W311-L319 HydrophobicContact CD2-CD1 3.76Å; W311-L319 HydrophobicContact CD2-CG 4.4Å; W311-L319 HydrophobicContact CE3-CB 3.86Å; W311-L319 HydrophobicContact CE3-CD1 4.3Å; W311-L319 HydrophobicContact CG-CD1 3.83Å; W311-L319 HydrophobicContact CH2-CB 4.47Å; W311-L319 HydrophobicContact CH2-CD2 4.3Å; W311-L319 HydrophobicContact CZ2-CD2 4.09Å; W311-L319 HydrophobicContact CZ3-CB 3.99Å; W311-F334 HydrophobicContact CH2-CZ 4.36Å; W311-F334 HydrophobicContact CZ3-CE2 4.48Å; W311-F354 VanDerWaalsContact C-CD2 3.47Å
312	S	98.3	Very high	97.9	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.021	15%	0.152	C	C	.	.			trans	-73.8	127.3	173.2	-178.2	0	0	0	0	111.2	Y314 H315 L318	S312-Y314 PolarHBondContact O-N 2.87Å; S312-Y314 PolarHBondContact OG-N 3.08Å; S312-H315 PolarHBondContact OG-N 2.89Å; S312-L318 PolarHBondContact N-O 2.89Å
313	S	96.1	Very high	98	Very high	37 Å²	37	30.2 Å²	30.2	26%	0.259	15%	0.151	S	C	.	.	S	Bend	trans	-68.7	3.5	171.2	60.3	0	0	0	0	114.2	R264	R264-S313 WeakPolarHBondContact CD-O 3.38Å; R264-S313 WeakPolarHBondContact CG-O 3.39Å
314	Y	97	Very high	98.2	Very high	90 Å²	90	28.4 Å²	28.4	35%	0.353	14%	0.137	S	C	.	.	S	Bend	trans	-120.3	-49.9	-179.4	-69.5	-90.8	0	0	0	112.1	R264 S312 L356 M357 P359	R264-Y314 PolarHBondContact NH1-O 2.81Å; S312-Y314 PolarHBondContact O-N 2.87Å; S312-Y314 PolarHBondContact OG-N 3.08Å; Y314-L356 PolarHBondContact OH-O 3.02Å; Y314-M357 VanDerWaalsContact OH-C 3.24Å; Y314-M357 VanDerWaalsContact OH-CA 3.26Å; Y314-M357 WeakPolarHBondContact OH-CA 3.28Å; Y314-P359 HydrophobicContact CD1-CB 3.96Å; Y314-P359 HydrophobicContact CD1-CG 4.38Å; Y314-P359 HydrophobicContact CD2-CB 3.77Å; Y314-P359 HydrophobicContact CE1-CB 4.47Å; Y314-P359 HydrophobicContact CE2-CB 4.29Å; Y314-P359 HydrophobicContact CG-CB 3.58Å; Y314-P359 HydrophobicContact CG-CG 4.44Å
315	H	97.3	Very high	98.2	Very high	95 Å²	95	33 Å²	33	44%	0.44	16%	0.156	S	C	.	.			trans	-106.6	104.7	-174.7	-61.6	-69	0	0	0	109.9	S312 N317 L318	S312-H315 PolarHBondContact OG-N 2.89Å; H315-N317 PolarHBondContact O-N 2.91Å; H315-N317 VanDerWaalsContact O-N 3.08Å; H315-L318 HydrophobicContact CB-CB 3.68Å; H315-L318 HydrophobicContact CB-CD2 4.32Å; H315-L318 PolarHBondContact O-N 2.84Å
316	K	96.2	Very high	98.2	Very high	56 Å²	56	28.9 Å²	28.9	24%	0.243	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.7	-173.5	-170.8	174.6	-165.8	149.8	0	114.1	D263 D265 D267 W311 F334	D263-K316 VanDerWaalsContact OD2-CE 3.26Å; D263-K316 WeakPolarHBondContact OD2-CE 3.26Å; D263-K316 WeakPolarHBondContact OD2-CG 3.47Å; D265-K316 WeakPolarHBondContact OD2-CD 3.4Å; D265-K316 VanDerWaalsContact OD2-CE 3.3Å; D265-K316 WeakPolarHBondContact OD2-CE 3.4Å; D265-K316 IonicContact OD2-NZ 3.02Å; D265-K316 PolarHBondContact OD2-NZ 2.67Å; D267-K316 IonicContact OD2-NZ 3.22Å; D267-K316 PolarHBondContact OD2-NZ 2.59Å; W311-K316 WeakPolarHBondContact CZ3-O 3.4Å; K316-F334 HydrophobicContact CG-CE2 4.48Å
317	N	97.4	Very high	98.2	Very high	66 Å²	66	29.3 Å²	29.3	35%	0.353	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.1	179.5	61.6	-36.1	0	0	0	114.5	H315 L319 D332 G333 F334	H315-N317 PolarHBondContact O-N 2.91Å; H315-N317 VanDerWaalsContact O-N 3.08Å; N317-L319 PolarHBondContact O-N 2.88Å; N317-D332 PolarHBondContact ND2-OD2 2.86Å; N317-D332 CarbonylContact O-C 3.5Å; N317-D332 WeakPolarHBondContact O-CA 3.49Å; N317-G333 PolarHBondContact O-N 3.44Å; N317-F334 HydrophobicContact CB-CD2 3.8Å; N317-F334 HydrophobicContact CB-CE2 4.11Å
318	L	98.6	Very high	98.2	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.11	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.2	-171.1	-178	62.7	0	0	0	111.5	S312 H315 L330 F354 T376	S312-L318 PolarHBondContact N-O 2.89Å; H315-L318 HydrophobicContact CB-CB 3.68Å; H315-L318 HydrophobicContact CB-CD2 4.32Å; H315-L318 PolarHBondContact O-N 2.84Å; L318-L330 HydrophobicContact CD1-CB 4.23Å; L318-F354 HydrophobicContact CD1-CZ 4.4Å; L318-F354 HydrophobicContact CD2-CE1 3.9Å; L318-F354 HydrophobicContact CD2-CZ 3.72Å; L318-F354 HydrophobicContact CG-CE1 4.36Å; L318-F354 HydrophobicContact CG-CE2 4.31Å; L318-F354 HydrophobicContact CG-CZ 3.66Å; L318-T376 HydrophobicContact CD2-CG2 4.27Å
319	L	98.8	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.9	179.6	179.4	57.1	0	0	0	110.3	A270 I278 M300 I309 S310 W311 N317 W331	A270-L319 HydrophobicContact CB-CD2 3.91Å; I278-L319 HydrophobicContact CG2-CD2 3.91Å; M300-L319 HydrophobicContact CE-CD2 4.19Å; I309-L319 HydrophobicContact CB-CD1 4.08Å; S310-L319 WeakPolarHBondContact O-CD1 3.39Å; W311-L319 HydrophobicContact CD2-CB 4.2Å; W311-L319 HydrophobicContact CD2-CD1 3.76Å; W311-L319 HydrophobicContact CD2-CG 4.4Å; W311-L319 HydrophobicContact CE3-CB 3.86Å; W311-L319 HydrophobicContact CE3-CD1 4.3Å; W311-L319 HydrophobicContact CG-CD1 3.83Å; W311-L319 HydrophobicContact CH2-CB 4.47Å; W311-L319 HydrophobicContact CH2-CD2 4.3Å; W311-L319 HydrophobicContact CZ2-CD2 4.09Å; W311-L319 HydrophobicContact CZ3-CB 3.99Å; N317-L319 PolarHBondContact O-N 2.88Å; L319-W331 HydrophobicContact CB-CB 4.46Å; L319-W331 PolarHBondContact N-O 2.82Å; L319-W331 PolarHBondContact O-N 2.92Å
320	A	98.8	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.8	170.9	0	0	0	0	0	110.7	I309 S310 I329 L330 V352 F354 L362	I309-A320 CarbonylContact C-O 3.53Å; I309-A320 WeakPolarHBondContact CA-O 3.32Å; S310-A320 PolarHBondContact N-O 3.41Å; S310-A320 PolarHBondContact O-N 2.85Å; A320-I329 CarbonylContact C-O 3.54Å; A320-I329 WeakPolarHBondContact CA-O 3.45Å; A320-L330 HydrophobicContact CB-CD2 3.68Å; A320-V352 HydrophobicContact CB-CG1 4.18Å; A320-V352 HydrophobicContact CB-CG2 3.81Å; A320-F354 HydrophobicContact CB-CD2 4.22Å; A320-F354 HydrophobicContact CB-CE2 3.54Å; A320-F354 HydrophobicContact CB-CZ 4Å; A320-L362 HydrophobicContact CB-CD1 4.18Å
321	S	98.8	Very high	98.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137	171.8	69.3	0	0	0	0	111.9	C308 V328 I329 W331	C308-S321 WeakPolarHBondContact O-CA 3.5Å; S321-V328 WeakPolarHBondContact O-CA 3.28Å; S321-I329 PolarHBondContact N-O 3.21Å; S321-I329 PolarHBondContact O-N 3.12Å; S321-W331 PolarHBondContact OG-NE1 3.46Å
322	S	98.8	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.8	169.6	55.2	0	0	0	0	112	I306 S307 C308 T327 C349	I306-S322 WeakPolarHBondContact CG2-O 3.39Å; S307-S322 PolarHBondContact N-O 3.36Å; S307-S322 PolarHBondContact OG-O 3.29Å; S307-S322 PolarHBondContact OG-OG 3.08Å; C308-S322 WeakPolarHBondContact CB-OG 3.31Å; C308-S322 PolarHBondContact N-OG 3.01Å; C308-S322 PolarHBondContact O-N 2.87Å; C308-S322 PolarHBondContact O-OG 2.9Å; S322-T327 WeakPolarHBondContact CA-O 3.3Å; S322-C349 WeakPolarHBondContact CB-SG 3.29Å
323	D	98.6	Very high	98.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.011	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	173.4	-177.3	79.5	23.1	0	0	0	116	K305 E325 G326 T327 C349	K305-D323 CarbonylContact O-C 3.55Å; K305-D323 WeakPolarHBondContact O-CA 3.22Å; K305-D323 WeakPolarHBondContact O-CB 3.49Å; D323-E325 VanDerWaalsContact C-N 3.28Å; D323-E325 PolarHBondContact O-N 2.8Å; D323-E325 WeakPolarHBondContact OD1-CA 3.11Å; D323-E325 WeakPolarHBondContact OD1-CB 3.46Å; D323-E325 PolarHBondContact OD1-N 3.49Å; D323-G326 PolarHBondContact O-N 3.44Å; D323-G326 VanDerWaalsContact O-N 3.15Å; D323-G326 PolarHBondContact OD1-N 3.06Å; D323-T327 PolarHBondContact N-O 2.9Å; D323-T327 PolarHBondContact OD1-N 3.42Å; D323-T327 PolarHBondContact OD1-OG1 3.47Å; D323-T327 WeakPolarHBondContact OD2-CB 3.29Å; D323-T327 PolarHBondContact OD2-OG1 3.14Å; D323-C349 PolarHBondContact O-N 2.91Å
324	Y	98.6	Very high	98.2	Very high	69 Å²	69	30.1 Å²	30.1	27%	0.271	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.6	-177.6	-83.2	39.7	0	0	0	114.5	S304 K305 R348	S304-Y324 WeakPolarHBondContact OG-CB 3.42Å; K305-Y324 HydrophobicContact CB-CD1 3.94Å; K305-Y324 HydrophobicContact CB-CD2 3.91Å; K305-Y324 HydrophobicContact CB-CE1 4.26Å; K305-Y324 HydrophobicContact CB-CE2 4.26Å; K305-Y324 HydrophobicContact CB-CG 3.76Å; K305-Y324 HydrophobicContact CD-CD2 4.2Å; K305-Y324 HydrophobicContact CD-CE2 4.17Å; K305-Y324 WeakPolarHBondContact O-CD1 3.43Å; K305-Y324 PolarHBondContact O-N 2.82Å; Y324-R348 HydrophobicContact CD1-CG 4.06Å; Y324-R348 VanDerWaalsContact CD2-NE 3.25Å; Y324-R348 HydrophobicContact CG-CG 4.21Å
325	E	98.3	Very high	98.3	Very high	111 Å²	111	29.7 Å²	29.7	52%	0.519	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-18	168.2	-75.7	168.4	161.2	0	0	111.4	D323	D323-E325 VanDerWaalsContact C-N 3.28Å; D323-E325 PolarHBondContact O-N 2.8Å; D323-E325 WeakPolarHBondContact OD1-CA 3.11Å; D323-E325 WeakPolarHBondContact OD1-CB 3.46Å; D323-E325 PolarHBondContact OD1-N 3.49Å
326	G	98.1	Very high	98.2	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	105.3	-2.1	-176.3	0	0	0	0	0	113.2	D323 H345 K347	D323-G326 PolarHBondContact O-N 3.44Å; D323-G326 VanDerWaalsContact O-N 3.15Å; D323-G326 PolarHBondContact OD1-N 3.06Å; G326-H345 WeakPolarHBondContact O-CB 3.46Å; G326-K347 VanDerWaalsContact CA-O 3.26Å; G326-K347 WeakPolarHBondContact CA-O 3.34Å
327	T	98.6	Very high	98.3	Very high	8 Å²	8	30.1 Å²	30.1	5%	0.049	15%	0.154	C	C	.	.			trans	-68.7	139.3	-179.5	-41	0	0	0	0	110.3	S322 D323 I329 V341 Y342 Q343	S322-T327 WeakPolarHBondContact CA-O 3.3Å; D323-T327 PolarHBondContact N-O 2.9Å; D323-T327 PolarHBondContact OD1-N 3.42Å; D323-T327 PolarHBondContact OD1-OG1 3.47Å; D323-T327 WeakPolarHBondContact OD2-CB 3.29Å; D323-T327 PolarHBondContact OD2-OG1 3.14Å; T327-I329 HydrophobicContact CG2-CD1 4.1Å; T327-I329 HydrophobicContact CG2-CG1 3.51Å; T327-V341 HydrophobicContact CG2-CG1 3.67Å; T327-Y342 WeakPolarHBondContact CA-O 3.47Å; T327-Q343 HydrophobicContact CG2-CG 3.83Å
328	V	98.8	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.7	161.6	-177.8	0	0	0	0	107.9	S321 Y342 V352 L362	S321-V328 WeakPolarHBondContact O-CA 3.28Å; V328-Y342 HydrophobicContact CB-CD2 4.27Å; V328-Y342 HydrophobicContact CG1-CD2 4.29Å; V328-Y342 PolarHBondContact N-O 2.86Å; V328-Y342 WeakPolarHBondContact O-CB 3.34Å; V328-Y342 WeakPolarHBondContact O-CD2 3.41Å; V328-Y342 PolarHBondContact O-N 2.97Å; V328-V352 HydrophobicContact CG1-CB 4.43Å; V328-V352 HydrophobicContact CG1-CG2 3.77Å; V328-L362 HydrophobicContact CG1-CD1 4.07Å
329	I	98.8	Very high	98.2	Very high	7 Å²	7	35 Å²	35	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.7	-176.8	-53.4	175.9	0	0	0	108.8	A320 S321 T327 W331 R338 V341	A320-I329 CarbonylContact C-O 3.54Å; A320-I329 WeakPolarHBondContact CA-O 3.45Å; S321-I329 PolarHBondContact N-O 3.21Å; S321-I329 PolarHBondContact O-N 3.12Å; T327-I329 HydrophobicContact CG2-CD1 4.1Å; T327-I329 HydrophobicContact CG2-CG1 3.51Å; I329-W331 HydrophobicContact CB-CZ2 4.29Å; I329-W331 HydrophobicContact CD1-CZ2 3.92Å; I329-W331 HydrophobicContact CG2-CD2 3.97Å; I329-W331 VanDerWaalsContact CG2-CE2 3.45Å; I329-W331 HydrophobicContact CG2-CG 4.26Å; I329-W331 HydrophobicContact CG2-CZ2 3.82Å; I329-R338 HydrophobicContact CG2-CB 4.22Å; I329-R338 HydrophobicContact CG2-CG 3.87Å; I329-V341 HydrophobicContact CG2-CG2 4.33Å
330	L	98.8	Very high	98.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.4	166.4	-60.8	-171.5	0	0	0	109.7	L318 A320 R338 S339 K340 Y342 F354 L362 T376	L318-L330 HydrophobicContact CD1-CB 4.23Å; A320-L330 HydrophobicContact CB-CD2 3.68Å; L330-R338 CarbonylContact O-C 3.56Å; L330-R338 WeakPolarHBondContact O-CA 3.4Å; L330-S339 WeakPolarHBondContact CB-OG 3.29Å; L330-S339 PolarHBondContact O-N 2.87Å; L330-S339 PolarHBondContact O-OG 3.36Å; L330-K340 HydrophobicContact CB-CB 4.08Å; L330-K340 HydrophobicContact CD1-CB 3.96Å; L330-K340 HydrophobicContact CD1-CG 4.09Å; L330-K340 HydrophobicContact CG-CB 4.03Å; L330-K340 PolarHBondContact N-O 3.21Å; L330-Y342 HydrophobicContact CD1-CE2 4Å; L330-Y342 HydrophobicContact CG-CE2 3.97Å; L330-F354 HydrophobicContact CD2-CZ 3.85Å; L330-L362 HydrophobicContact CD1-CD2 4.42Å; L330-L362 HydrophobicContact CD2-CD1 3.76Å; L330-L362 HydrophobicContact CD2-CD2 4.38Å; L330-T376 HydrophobicContact CD1-CG2 3.86Å
331	W	98.7	Very high	98.1	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.3	-177.4	-55	87.3	0	0	0	110.6	I278 M300 C302 L319 S321 I329 Q337 R338	I278-W331 HydrophobicContact CD1-CZ2 4.42Å; M300-W331 HydrophobicContact CB-CE3 4.12Å; M300-W331 HydrophobicContact CB-CH2 4.2Å; M300-W331 HydrophobicContact CB-CZ3 3.88Å; M300-W331 HydrophobicContact CG-CE3 3.95Å; M300-W331 HydrophobicContact CG-CZ3 4.09Å; M300-W331 HydrophobicContact SD-CB 3.88Å; M300-W331 HydrophobicContact SD-CD2 3.83Å; M300-W331 HydrophobicContact SD-CE3 3.64Å; M300-W331 HydrophobicContact SD-CG 3.97Å; M300-W331 HydrophobicContact SD-CZ3 4.36Å; C302-W331 VanDerWaalsContact SG-CZ2 3.54Å; L319-W331 HydrophobicContact CB-CB 4.46Å; L319-W331 PolarHBondContact N-O 2.82Å; L319-W331 PolarHBondContact O-N 2.92Å; S321-W331 PolarHBondContact OG-NE1 3.46Å; I329-W331 HydrophobicContact CB-CZ2 4.29Å; I329-W331 HydrophobicContact CD1-CZ2 3.92Å; I329-W331 HydrophobicContact CG2-CD2 3.97Å; I329-W331 VanDerWaalsContact CG2-CE2 3.45Å; I329-W331 HydrophobicContact CG2-CG 4.26Å; I329-W331 HydrophobicContact CG2-CZ2 3.82Å; W331-Q337 CarbonylContact C-O 3.43Å; W331-Q337 VanDerWaalsContact CA-O 3.31Å; W331-Q337 WeakPolarHBondContact CA-O 3.39Å; W331-R338 HydrophobicContact CD2-CG 4.18Å; W331-R338 HydrophobicContact CE3-CG 3.61Å; W331-R338 HydrophobicContact CH2-CG 3.9Å; W331-R338 HydrophobicContact CZ2-CG 4.36Å; W331-R338 HydrophobicContact CZ3-CG 3.47Å; W331-R338 VanDerWaalsContact CZ3-CG 3.47Å
332	D	98.4	Very high	98.1	Very high	33 Å²	33	40.4 Å²	40.4	18%	0.176	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.6	146.5	-177.1	-66.4	0	0	0	108.1	N317 F334 T335 G336 Q337	N317-D332 PolarHBondContact ND2-OD2 2.86Å; N317-D332 CarbonylContact O-C 3.5Å; N317-D332 WeakPolarHBondContact O-CA 3.49Å; D332-F334 PolarHBondContact O-N 2.75Å; D332-F334 PolarHBondContact OD1-N 3.21Å; D332-T335 VanDerWaalsContact CB-OG1 3.27Å; D332-T335 WeakPolarHBondContact CB-OG1 3.26Å; D332-T335 PolarHBondContact OD1-N 2.72Å; D332-T335 PolarHBondContact OD1-OG1 3.39Å; D332-G336 VanDerWaalsContact O-CA 3.28Å; D332-G336 WeakPolarHBondContact O-CA 3.18Å; D332-G336 PolarHBondContact O-N 3.01Å; D332-Q337 PolarHBondContact N-O 3.12Å
333	G	97.4	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.1	-172.7	0	0	0	0	0	115	N298 N317	N298-G333 PolarHBondContact ND2-O 2.85Å; N317-G333 PolarHBondContact O-N 3.44Å
334	F	97.7	Very high	98.1	Very high	66 Å²	66	49.9 Å²	49.9	29%	0.289	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-36.3	-177.8	-58.7	-71.1	0	0	0	112.3	Y268 V280 N298 W311 K316 N317 D332	Y268-F334 AromaticContact CD1-CE1 3.78Å; Y268-F334 HydrophobicContact CD1-CE1 3.78Å; Y268-F334 HydrophobicContact CD1-CZ 4.47Å; Y268-F334 AromaticContact CD2-CE1 3.96Å; Y268-F334 HydrophobicContact CD2-CE1 3.96Å; Y268-F334 AromaticContact CD2-CZ 3.9Å; Y268-F334 HydrophobicContact CD2-CZ 3.9Å; Y268-F334 AromaticContact CE1-CE1 3.83Å; Y268-F334 HydrophobicContact CE1-CE1 3.83Å; Y268-F334 HydrophobicContact CE2-CE1 4.07Å; Y268-F334 HydrophobicContact CE2-CZ 4.2Å; Y268-F334 AromaticContact CG-CE1 3.85Å; Y268-F334 HydrophobicContact CG-CE1 3.85Å; Y268-F334 HydrophobicContact CG-CZ 4.08Å; V280-F334 HydrophobicContact CG1-CE1 4.35Å; N298-F334 PolarHBondContact ND2-O 2.78Å; W311-F334 HydrophobicContact CH2-CZ 4.36Å; W311-F334 HydrophobicContact CZ3-CE2 4.48Å; K316-F334 HydrophobicContact CG-CE2 4.48Å; N317-F334 HydrophobicContact CB-CD2 3.8Å; N317-F334 HydrophobicContact CB-CE2 4.11Å; D332-F334 PolarHBondContact O-N 2.75Å; D332-F334 PolarHBondContact OD1-N 3.21Å
335	T	97.7	Very high	98.1	Very high	82 Å²	82	47.2 Å²	47.2	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-10.3	175.9	66.9	0	0	0	0	113.5	D332 Q337	D332-T335 VanDerWaalsContact CB-OG1 3.27Å; D332-T335 WeakPolarHBondContact CB-OG1 3.26Å; D332-T335 PolarHBondContact OD1-N 2.72Å; D332-T335 PolarHBondContact OD1-OG1 3.39Å; T335-Q337 PolarHBondContact O-N 2.79Å
336	G	96.5	Very high	98.1	Very high	23 Å²	23	48.5 Å²	48.5	24%	0.237	25%	0.247	C	C	.	.			trans	68.9	9.6	-178.6	0	0	0	0	0	115.3	N298 D332	N298-G336 PolarHBondContact ND2-N 3.06Å; D332-G336 VanDerWaalsContact O-CA 3.28Å; D332-G336 WeakPolarHBondContact O-CA 3.18Å; D332-G336 PolarHBondContact O-N 3.01Å
337	Q	97.7	Very high	98.1	Very high	137 Å²	137	53.4 Å²	53.4	64%	0.64	27%	0.268	S	S	*	.			trans	-77.1	136.1	-177.5	-65.5	-173.8	18.6	0	0	111.9	W331 D332 T335	W331-Q337 CarbonylContact C-O 3.43Å; W331-Q337 VanDerWaalsContact CA-O 3.31Å; W331-Q337 WeakPolarHBondContact CA-O 3.39Å; D332-Q337 PolarHBondContact N-O 3.12Å; T335-Q337 PolarHBondContact O-N 2.79Å
338	R	97.5	Very high	98.1	Very high	116 Å²	116	56.8 Å²	56.8	44%	0.438	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.8	174	-61	178.6	-174.1	169	1.2	109.6	T301 I329 L330 W331 V341	T301-R338 PolarHBondContact O-NH2 3.09Å; I329-R338 HydrophobicContact CG2-CB 4.22Å; I329-R338 HydrophobicContact CG2-CG 3.87Å; L330-R338 CarbonylContact O-C 3.56Å; L330-R338 WeakPolarHBondContact O-CA 3.4Å; W331-R338 HydrophobicContact CD2-CG 4.18Å; W331-R338 HydrophobicContact CE3-CG 3.61Å; W331-R338 HydrophobicContact CH2-CG 3.9Å; W331-R338 HydrophobicContact CZ2-CG 4.36Å; W331-R338 HydrophobicContact CZ3-CG 3.47Å; W331-R338 VanDerWaalsContact CZ3-CG 3.47Å; R338-V341 HydrophobicContact CB-CG2 4.35Å
339	S	96	Very high	98.1	Very high	74 Å²	74	56.8 Å²	56.8	52%	0.517	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-31.2	-178.7	60.2	0	0	0	0	113.4	L330	L330-S339 WeakPolarHBondContact CB-OG 3.29Å; L330-S339 PolarHBondContact O-N 2.87Å; L330-S339 PolarHBondContact O-OG 3.36Å
340	K	97.8	Very high	98.1	Very high	43 Å²	43	58.5 Å²	58.5	19%	0.187	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.4	170.1	-68	-65.1	-170.8	-172.1	0	110.5	L330 Y342 T376 L378 D379	L330-K340 HydrophobicContact CB-CB 4.08Å; L330-K340 HydrophobicContact CD1-CB 3.96Å; L330-K340 HydrophobicContact CD1-CG 4.09Å; L330-K340 HydrophobicContact CG-CB 4.03Å; L330-K340 PolarHBondContact N-O 3.21Å; K340-Y342 HydrophobicContact CB-CD2 4.48Å; K340-Y342 HydrophobicContact CB-CE1 4.34Å; K340-Y342 HydrophobicContact CB-CE2 3.88Å; K340-Y342 HydrophobicContact CG-CE2 4.5Å; K340-T376 WeakPolarHBondContact CE-O 3.32Å; K340-L378 WeakPolarHBondContact CE-O 3.39Å; K340-D379 VanDerWaalsContact NZ-CG 3.31Å; K340-D379 IonicContact NZ-OD1 2.67Å; K340-D379 PolarHBondContact NZ-OD1 3.12Å; K340-D379 IonicContact NZ-OD2 3.89Å; K340-D379 PolarHBondContact NZ-OD2 3.23Å
341	V	98.4	Very high	98.1	Very high	70 Å²	70	59 Å²	59	42%	0.424	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	104	175.7	179.9	0	0	0	0	107.6	T327 I329 R338 Q343	T327-V341 HydrophobicContact CG2-CG1 3.67Å; I329-V341 HydrophobicContact CG2-CG2 4.33Å; R338-V341 HydrophobicContact CB-CG2 4.35Å; V341-Q343 HydrophobicContact CG1-CG 4.15Å
342	Y	98.7	Very high	98.1	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.2	-176.7	-61.4	-63.7	0	0	0	110.8	T327 V328 L330 K340 W374 S375 L378 D379	T327-Y342 WeakPolarHBondContact CA-O 3.47Å; V328-Y342 HydrophobicContact CB-CD2 4.27Å; V328-Y342 HydrophobicContact CG1-CD2 4.29Å; V328-Y342 PolarHBondContact N-O 2.86Å; V328-Y342 WeakPolarHBondContact O-CB 3.34Å; V328-Y342 WeakPolarHBondContact O-CD2 3.41Å; V328-Y342 PolarHBondContact O-N 2.97Å; L330-Y342 HydrophobicContact CD1-CE2 4Å; L330-Y342 HydrophobicContact CG-CE2 3.97Å; K340-Y342 HydrophobicContact CB-CD2 4.48Å; K340-Y342 HydrophobicContact CB-CE1 4.34Å; K340-Y342 HydrophobicContact CB-CE2 3.88Å; K340-Y342 HydrophobicContact CG-CE2 4.5Å; Y342-W374 HydrophobicContact CD1-CD2 4.07Å; Y342-W374 AromaticContact CD1-CE3 3.36Å; Y342-W374 HydrophobicContact CD1-CE3 3.36Å; Y342-W374 AromaticContact CD1-CZ3 3.73Å; Y342-W374 HydrophobicContact CD1-CZ3 3.73Å; Y342-W374 HydrophobicContact CD2-CB 4.39Å; Y342-W374 HydrophobicContact CD2-CD2 4.11Å; Y342-W374 HydrophobicContact CD2-CE3 4.22Å; Y342-W374 HydrophobicContact CD2-CG 4.2Å; Y342-W374 HydrophobicContact CE1-CB 4.37Å; Y342-W374 AromaticContact CE1-CE3 3.92Å; Y342-W374 HydrophobicContact CE1-CE3 3.92Å; Y342-W374 HydrophobicContact CE2-CB 4Å; Y342-W374 HydrophobicContact CE2-CG 4.3Å; Y342-W374 AromaticContact CG-CD2 3.85Å; Y342-W374 HydrophobicContact CG-CD2 3.85Å; Y342-W374 AromaticContact CG-CE3 3.53Å; Y342-W374 HydrophobicContact CG-CE3 3.53Å; Y342-W374 HydrophobicContact CG-CG 4.39Å; Y342-W374 HydrophobicContact CG-CH2 4.4Å; Y342-W374 AromaticContact CG-CZ3 3.85Å; Y342-W374 HydrophobicContact CG-CZ3 3.85Å; Y342-S375 PolarHBondContact OH-O 3.13Å; Y342-L378 VanDerWaalsContact CE1-O 3.32Å; Y342-L378 WeakPolarHBondContact CE1-O 3.28Å; Y342-L378 PolarHBondContact OH-O 2.72Å; Y342-L378 VanDerWaalsContact OH-O 3.13Å; Y342-D379 WeakPolarHBondContact CD1-O 3.4Å
343	Q	98.3	Very high	98.1	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	28%	0.283	S	S	*	.			trans	-130.6	66.4	-174.8	-70.8	-176.2	-26.7	0	0	111.5	T327 V341	T327-Q343 HydrophobicContact CG2-CG 3.83Å; V341-Q343 HydrophobicContact CG1-CG 4.15Å
344	E	98.7	Very high	98.2	Very high	55 Å²	55	57.9 Å²	57.9	26%	0.257	28%	0.284	S	S	.	.			trans	-123.5	-5.9	174.2	-48.8	178.2	-174.4	0	0	114.5	K372 W374 N380 S381	E344-K372 HydrophobicContact CB-CD 4.03Å; E344-K372 WeakPolarHBondContact O-CE 3.4Å; E344-K372 IonicContact OE2-NZ 2.67Å; E344-K372 PolarHBondContact OE2-NZ 2.95Å; E344-W374 HydrophobicContact CB-CH2 3.82Å; E344-W374 HydrophobicContact CB-CZ3 4.36Å; E344-W374 HydrophobicContact CG-CH2 3.82Å; E344-W374 HydrophobicContact CG-CZ3 3.85Å; E344-N380 WeakPolarHBondContact OE1-CA 3.23Å; E344-N380 WeakPolarHBondContact OE1-CB 3.16Å; E344-S381 PolarHBondContact OE1-N 3.3Å; E344-S381 WeakPolarHBondContact OE2-CB 3.47Å; E344-S381 PolarHBondContact OE2-OG 3.06Å
345	H	98.6	Very high	98.2	Very high	13 Å²	13	54.8 Å²	54.8	6%	0.06	27%	0.27	C	S	.	.			trans	-80.9	133.3	171.6	-81.2	-60.4	0	0	0	109.3	G326 K347 S364 S366 D368 K370	G326-H345 WeakPolarHBondContact O-CB 3.46Å; H345-K347 VanDerWaalsContact C-N 3.28Å; H345-K347 PolarHBondContact O-N 3.33Å; H345-S364 PolarHBondContact CD2-OG 3.04Å; H345-S364 PolarHBondContact NE2-OG 2.86Å; H345-S366 VanDerWaalsContact ND1-CB 3.31Å; H345-S366 WeakPolarHBondContact ND1-CB 3.46Å; H345-D368 VanDerWaalsContact CA-OD2 3.29Å; H345-D368 WeakPolarHBondContact CA-OD2 3.44Å; H345-D368 IonicContact CE1-OD1 3.96Å; H345-D368 IonicContact CE1-OD2 3.65Å; H345-D368 IonicContact CG-OD2 3.78Å; H345-D368 IonicContact ND1-OD1 2.66Å; H345-D368 PolarHBondContact ND1-OD1 2.86Å; H345-D368 IonicContact ND1-OD2 2.96Å; H345-D368 PolarHBondContact ND1-OD2 3.17Å; H345-K370 PolarHBondContact CE1-O 3.48Å
346	E	98.4	Very high	98.1	Very high	138 Å²	138	54 Å²	54	65%	0.645	26%	0.262	S	S	*	.	S	Bend	trans	-83.7	-6.9	-174.1	-67.9	156.9	-128.9	0	0	113.1	D368 K370	E346-D368 HydrophobicContact CB-CB 4.13Å; E346-D368 PolarHBondContact N-OD2 2.94Å; E346-K370 IonicContact OE1-NZ 3.81Å; E346-K370 PolarHBondContact OE1-NZ 3.37Å
347	K	98.7	Very high	98.2	Very high	105 Å²	105	57 Å²	57	46%	0.457	27%	0.271	S	S	.	.	S	Bend	trans	-151.4	169.3	-177.4	-53.1	-176.5	-146.6	154.4	0	110	G326 H345 C349 S366 D367 D368	G326-K347 VanDerWaalsContact CA-O 3.26Å; G326-K347 WeakPolarHBondContact CA-O 3.34Å; H345-K347 VanDerWaalsContact C-N 3.28Å; H345-K347 PolarHBondContact O-N 3.33Å; K347-C349 PolarHBondContact O-N 2.96Å; K347-S366 PolarHBondContact O-OG 2.7Å; K347-D367 HydrophobicContact CB-CB 3.83Å; K347-D367 HydrophobicContact CD-CB 4Å; K347-D367 WeakPolarHBondContact CD-O 3.25Å; K347-D367 PolarHBondContact NZ-O 3.18Å; K347-D368 HydrophobicContact CB-CB 4.47Å; K347-D368 HydrophobicContact CG-CB 4.36Å
348	R	98.6	Very high	98.2	Very high	80 Å²	80	51.6 Å²	51.6	30%	0.302	25%	0.247	S	C	.	.			trans	-28.7	118.2	169.6	171.3	-177.3	-55.7	148.6	13.6	112.6	Y324 W350 S366 D367	Y324-R348 HydrophobicContact CD1-CG 4.06Å; Y324-R348 VanDerWaalsContact CD2-NE 3.25Å; Y324-R348 HydrophobicContact CG-CG 4.21Å; R348-W350 VanDerWaalsContact CD-CZ2 3.41Å; R348-W350 HydrophobicContact CG-CD2 4.23Å; R348-W350 VanDerWaalsContact NH1-CH2 3.35Å; R348-S366 WeakPolarHBondContact O-CA 3.23Å; R348-S366 WeakPolarHBondContact O-CB 3.43Å; R348-S366 PolarHBondContact O-OG 2.93Å; R348-D367 IonicContact NH1-OD2 3.57Å; R348-D367 PolarHBondContact O-N 2.64Å
349	C	98.8	Very high	98.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.8	165	-176.3	0	0	0	0	107.9	S307 S322 D323 K347 S351 G365	S307-C349 VanDerWaalsContact CB-O 3.26Å; S307-C349 WeakPolarHBondContact CB-O 3.41Å; S307-C349 PolarHBondContact OG-O 2.82Å; S322-C349 WeakPolarHBondContact CB-SG 3.29Å; D323-C349 PolarHBondContact O-N 2.91Å; K347-C349 PolarHBondContact O-N 2.96Å; C349-S351 PolarHBondContact SG-O 3.01Å; C349-S351 VanDerWaalsContact SG-O 3.41Å; C349-G365 CarbonylContact C-O 3.27Å; C349-G365 WeakPolarHBondContact CA-O 3.47Å; C349-G365 PolarHBondContact SG-O 3.32Å
350	W	98.8	Very high	98.2	Very high	42 Å²	42	49.2 Å²	49.2	16%	0.159	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-26.9	-178.7	-77.1	109.6	0	0	0	113.5	S307 C308 R348 G365 D367 C392 F478	S307-W350 WeakPolarHBondContact CB-O 3.21Å; S307-W350 PolarHBondContact OG-O 2.96Å; C308-W350 WeakPolarHBondContact CB-O 3.23Å; R348-W350 VanDerWaalsContact CD-CZ2 3.41Å; R348-W350 HydrophobicContact CG-CD2 4.23Å; R348-W350 VanDerWaalsContact NH1-CH2 3.35Å; W350-G365 PolarHBondContact N-O 3.46Å; W350-D367 PolarHBondContact NE1-OD1 2.67Å; W350-D367 PolarHBondContact NE1-OD2 3.17Å; W350-C392 VanDerWaalsContact CB-O 3.27Å; W350-C392 WeakPolarHBondContact CB-O 3.18Å; W350-F478 HydrophobicContact CD2-CZ 4.16Å; W350-F478 HydrophobicContact CE3-CE1 4.36Å; W350-F478 HydrophobicContact CE3-CE2 4.13Å; W350-F478 AromaticContact CE3-CZ 3.96Å; W350-F478 HydrophobicContact CE3-CZ 3.96Å; W350-F478 HydrophobicContact CH2-CD2 4.32Å; W350-F478 AromaticContact CH2-CE2 3.68Å; W350-F478 HydrophobicContact CH2-CE2 3.68Å; W350-F478 HydrophobicContact CH2-CZ 4.2Å; W350-F478 HydrophobicContact CZ2-CE2 4.18Å; W350-F478 HydrophobicContact CZ2-CZ 4.38Å; W350-F478 HydrophobicContact CZ3-CD2 4.05Å; W350-F478 AromaticContact CZ3-CE2 3.67Å; W350-F478 HydrophobicContact CZ3-CE2 3.67Å; W350-F478 AromaticContact CZ3-CZ 3.99Å; W350-F478 HydrophobicContact CZ3-CZ 3.99Å
351	S	98.8	Very high	98.2	Very high	11 Å²	11	48.4 Å²	48.4	8%	0.077	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	139.2	-168.4	178.5	0	0	0	0	110.8	C349 S364 G365 V394	C349-S351 PolarHBondContact SG-O 3.01Å; C349-S351 VanDerWaalsContact SG-O 3.41Å; S351-S364 CarbonylContact O-C 2.91Å; S351-S364 WeakPolarHBondContact O-CA 3.45Å; S351-G365 PolarHBondContact O-N 3.17Å; S351-V394 PolarHBondContact OG-N 3.45Å; S351-V394 VanDerWaalsContact OG-N 3.08Å; S351-V394 PolarHBondContact OG-O 3.21Å
352	V	98.9	Very high	98.3	Very high	3 Å²	3	45 Å²	45	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146	169.1	61.1	0	0	0	0	108.7	A320 V328 L362 A363	A320-V352 HydrophobicContact CB-CG1 4.18Å; A320-V352 HydrophobicContact CB-CG2 3.81Å; V328-V352 HydrophobicContact CG1-CB 4.43Å; V328-V352 HydrophobicContact CG1-CG2 3.77Å; V352-L362 HydrophobicContact CG2-CD1 3.78Å; V352-A363 CarbonylContact C-O 3.57Å; V352-A363 VanDerWaalsContact CA-O 3.29Å; V352-A363 WeakPolarHBondContact CA-O 3.44Å
353	D	98.9	Very high	98.3	Very high	9 Å²	9	45 Å²	45	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	135.7	175.1	-165.7	43.6	0	0	0	112.4	S310 L362 A363 V394 K395 F396	S310-D353 PolarHBondContact OG-OD1 3.14Å; D353-L362 CarbonylContact O-C 3.54Å; D353-L362 VanDerWaalsContact O-CA 3.26Å; D353-L362 WeakPolarHBondContact O-CA 3.27Å; D353-L362 WeakPolarHBondContact O-CB 3.24Å; D353-A363 PolarHBondContact N-O 3.03Å; D353-A363 PolarHBondContact O-N 2.82Å; D353-V394 HydrophobicContact CB-CG2 4.29Å; D353-K395 IonicContact OD1-NZ 2.8Å; D353-K395 PolarHBondContact OD1-NZ 3.07Å; D353-K395 VanDerWaalsContact OD2-CA 3.32Å; D353-K395 WeakPolarHBondContact OD2-CA 3.33Å; D353-K395 VanDerWaalsContact OD2-CD 3.27Å; D353-K395 WeakPolarHBondContact OD2-CD 3.46Å; D353-K395 IonicContact OD2-NZ 2.68Å; D353-K395 PolarHBondContact OD2-NZ 2.73Å; D353-F396 HydrophobicContact CB-CD2 4.34Å; D353-F396 WeakPolarHBondContact O-CE2 3.22Å; D353-F396 PolarHBondContact OD2-N 2.98Å
354	F	98.8	Very high	98.3	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.2	169.2	-84.6	-73.1	0	0	0	112.4	S310 W311 L318 A320 L330 L356 L362 T376 F396	S310-F354 WeakPolarHBondContact O-CD2 3.46Å; S310-F354 VanDerWaalsContact O-CE2 3.3Å; S310-F354 WeakPolarHBondContact O-CE2 3.32Å; S310-F354 PolarHBondContact OG-N 3.35Å; W311-F354 VanDerWaalsContact C-CD2 3.47Å; L318-F354 HydrophobicContact CD1-CZ 4.4Å; L318-F354 HydrophobicContact CD2-CE1 3.9Å; L318-F354 HydrophobicContact CD2-CZ 3.72Å; L318-F354 HydrophobicContact CG-CE1 4.36Å; L318-F354 HydrophobicContact CG-CE2 4.31Å; L318-F354 HydrophobicContact CG-CZ 3.66Å; A320-F354 HydrophobicContact CB-CD2 4.22Å; A320-F354 HydrophobicContact CB-CE2 3.54Å; A320-F354 HydrophobicContact CB-CZ 4Å; L330-F354 HydrophobicContact CD2-CZ 3.85Å; F354-L356 PolarHBondContact O-N 2.94Å; F354-L362 HydrophobicContact CD1-CB 3.84Å; F354-L362 HydrophobicContact CE1-CB 4.12Å; F354-L362 HydrophobicContact CE1-CD2 4.09Å; F354-L362 HydrophobicContact CE1-CG 4.49Å; F354-L362 HydrophobicContact CG-CB 4.36Å; F354-T376 HydrophobicContact CE1-CG2 4.34Å; F354-F396 WeakPolarHBondContact O-CD2 3.25Å
355	N	98.5	Very high	98.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.167	C	C	.	.			trans	-77.3	112.3	173.3	-170.7	-19.6	0	0	0	110.7	M357 D358 L361 F396 R401	N355-M357 PolarHBondContact O-N 2.67Å; N355-M357 PolarHBondContact OD1-N 3.44Å; N355-D358 HydrophobicContact CB-CB 4.03Å; N355-D358 PolarHBondContact O-N 2.88Å; N355-D358 VanDerWaalsContact O-N 3.12Å; N355-D358 VanDerWaalsContact O-O 3.13Å; N355-D358 PolarHBondContact OD1-N 2.82Å; N355-L361 HydrophobicContact CB-CB 3.89Å; N355-L361 WeakPolarHBondContact CB-O 3.14Å; N355-L361 PolarHBondContact N-O 2.72Å; N355-L361 WeakPolarHBondContact ND2-CD2 3.43Å; N355-F396 HydrophobicContact CB-CD1 3.84Å; N355-F396 HydrophobicContact CB-CD2 3.99Å; N355-F396 HydrophobicContact CB-CE1 3.79Å; N355-F396 HydrophobicContact CB-CE2 3.93Å; N355-F396 HydrophobicContact CB-CG 3.93Å; N355-F396 HydrophobicContact CB-CZ 3.84Å; N355-F396 WeakPolarHBondContact ND2-CE1 3.49Å; N355-R401 PolarHBondContact ND2-O 3.16Å; N355-R401 WeakPolarHBondContact OD1-CA 3.46Å
356	L	95.6	Very high	98.3	Very high	66 Å²	66	34.9 Å²	34.9	35%	0.346	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.2	179.9	-61.6	173	0	0	0	113.6	Y314 F354 P398	Y314-L356 PolarHBondContact OH-O 3.02Å; F354-L356 PolarHBondContact O-N 2.94Å; L356-P398 HydrophobicContact CD1-CB 3.91Å
357	M	97.2	Very high	98.3	Very high	85 Å²	85	29.5 Å²	29.5	42%	0.419	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	14.6	-178.6	-61.2	-167.4	89.9	0	0	113.8	Y314 N355 S400 R401	Y314-M357 VanDerWaalsContact OH-C 3.24Å; Y314-M357 VanDerWaalsContact OH-CA 3.26Å; Y314-M357 WeakPolarHBondContact OH-CA 3.28Å; N355-M357 PolarHBondContact O-N 2.67Å; N355-M357 PolarHBondContact OD1-N 3.44Å; M357-S400 PolarHBondContact SD-N 3.16Å; M357-S400 VanDerWaalsContact SD-N 3.35Å; M357-R401 HydrophobicContact CB-CB 3.66Å
358	D	97.6	Very high	98.3	Very high	24 Å²	24	25.2 Å²	25.2	13%	0.128	12%	0.122	C	C	.	.			trans	-150.1	110.9	171.3	-170.1	-29.2	0	0	0	111.1	N355 K360 L361 R401	N355-D358 HydrophobicContact CB-CB 4.03Å; N355-D358 PolarHBondContact O-N 2.88Å; N355-D358 VanDerWaalsContact O-N 3.12Å; N355-D358 VanDerWaalsContact O-O 3.13Å; N355-D358 PolarHBondContact OD1-N 2.82Å; D358-K360 PolarHBondContact O-N 2.91Å; D358-K360 PolarHBondContact OD1-N 2.77Å; D358-L361 HydrophobicContact CB-CB 4.04Å; D358-L361 PolarHBondContact O-N 2.88Å; D358-R401 HydrophobicContact CB-CB 4.4Å; D358-R401 IonicContact OD2-CZ 2.63Å; D358-R401 IonicContact OD2-NE 2.79Å; D358-R401 PolarHBondContact OD2-NE 2.92Å; D358-R401 IonicContact OD2-NH2 2.74Å; D358-R401 PolarHBondContact OD2-NH2 3.11Å
359	P	97.2	Very high	98.3	Very high	40 Å²	40	22.4 Å²	22.4	26%	0.26	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.2	-175	23.6	-33.8	0	0	0	114.6	Y314	Y314-P359 HydrophobicContact CD1-CB 3.96Å; Y314-P359 HydrophobicContact CD1-CG 4.38Å; Y314-P359 HydrophobicContact CD2-CB 3.77Å; Y314-P359 HydrophobicContact CE1-CB 4.47Å; Y314-P359 HydrophobicContact CE2-CB 4.29Å; Y314-P359 HydrophobicContact CG-CB 3.58Å; Y314-P359 HydrophobicContact CG-CG 4.44Å
360	K	97.4	Very high	98.3	Very high	99 Å²	99	24.5 Å²	24.5	43%	0.43	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-22.5	-175.2	-61.8	177.4	-177	177.4	0	113.3	D358 S375 T376	D358-K360 PolarHBondContact O-N 2.91Å; D358-K360 PolarHBondContact OD1-N 2.77Å; K360-S375 CarbonylContact O-C 3.55Å; K360-S375 VanDerWaalsContact O-CA 3.27Å; K360-S375 WeakPolarHBondContact O-CA 3.3Å; K360-T376 WeakPolarHBondContact CA-OG1 3.33Å; K360-T376 PolarHBondContact O-N 2.83Å
361	L	98.4	Very high	98.3	Very high	26 Å²	26	22.5 Å²	22.5	14%	0.136	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.7	-170.7	-159.4	77.9	0	0	0	110.7	N355 D358 L373 W374 V382 F396 L418	N355-L361 HydrophobicContact CB-CB 3.89Å; N355-L361 WeakPolarHBondContact CB-O 3.14Å; N355-L361 PolarHBondContact N-O 2.72Å; N355-L361 WeakPolarHBondContact ND2-CD2 3.43Å; D358-L361 HydrophobicContact CB-CB 4.04Å; D358-L361 PolarHBondContact O-N 2.88Å; L361-L373 HydrophobicContact CD1-CB 4.45Å; L361-W374 WeakPolarHBondContact CA-O 3.48Å; L361-W374 WeakPolarHBondContact CD1-O 3.27Å; L361-V382 HydrophobicContact CD1-CG2 3.98Å; L361-F396 HydrophobicContact CD2-CE1 3.78Å; L361-F396 HydrophobicContact CD2-CZ 3.79Å; L361-F396 HydrophobicContact CG-CZ 4.14Å; L361-L418 HydrophobicContact CD2-CD1 4.16Å
362	L	98.7	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162.9	165.6	65.2	151.1	0	0	0	110.1	A320 V328 L330 V352 D353 F354 L373 W374 T376	A320-L362 HydrophobicContact CB-CD1 4.18Å; V328-L362 HydrophobicContact CG1-CD1 4.07Å; L330-L362 HydrophobicContact CD1-CD2 4.42Å; L330-L362 HydrophobicContact CD2-CD1 3.76Å; L330-L362 HydrophobicContact CD2-CD2 4.38Å; V352-L362 HydrophobicContact CG2-CD1 3.78Å; D353-L362 CarbonylContact O-C 3.54Å; D353-L362 VanDerWaalsContact O-CA 3.26Å; D353-L362 WeakPolarHBondContact O-CA 3.27Å; D353-L362 WeakPolarHBondContact O-CB 3.24Å; F354-L362 HydrophobicContact CD1-CB 3.84Å; F354-L362 HydrophobicContact CE1-CB 4.12Å; F354-L362 HydrophobicContact CE1-CD2 4.09Å; F354-L362 HydrophobicContact CE1-CG 4.49Å; F354-L362 HydrophobicContact CG-CB 4.36Å; L362-L373 WeakPolarHBondContact O-CA 3.45Å; L362-W374 HydrophobicContact CD2-CB 3.89Å; L362-W374 HydrophobicContact CG-CB 3.95Å; L362-W374 HydrophobicContact CG-CG 4.38Å; L362-W374 PolarHBondContact N-O 2.98Å; L362-W374 VanDerWaalsContact N-O 3.08Å; L362-W374 PolarHBondContact O-N 2.99Å; L362-T376 HydrophobicContact CD2-CG2 4.22Å
363	A	98.8	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.7	-179.4	0	0	0	0	0	110.9	V352 D353 K372 L373 V394 F396 L404	V352-A363 CarbonylContact C-O 3.57Å; V352-A363 VanDerWaalsContact CA-O 3.29Å; V352-A363 WeakPolarHBondContact CA-O 3.44Å; D353-A363 PolarHBondContact N-O 3.03Å; D353-A363 PolarHBondContact O-N 2.82Å; A363-K372 CarbonylContact C-O 3.47Å; A363-K372 VanDerWaalsContact CA-O 3.25Å; A363-K372 WeakPolarHBondContact CA-O 3.3Å; A363-L373 HydrophobicContact CB-CD2 3.71Å; A363-V394 HydrophobicContact CB-CG2 4.42Å; A363-F396 HydrophobicContact CB-CD2 4.46Å; A363-F396 HydrophobicContact CB-CE2 3.51Å; A363-F396 HydrophobicContact CB-CZ 3.8Å; A363-L404 HydrophobicContact CB-CD1 3.46Å; A363-L404 VanDerWaalsContact CB-CD1 3.46Å
364	S	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151	175	62.8	0	0	0	0	112.5	H345 S351 V371 K372 W374	H345-S364 PolarHBondContact CD2-OG 3.04Å; H345-S364 PolarHBondContact NE2-OG 2.86Å; S351-S364 CarbonylContact O-C 2.91Å; S351-S364 WeakPolarHBondContact O-CA 3.45Å; S364-V371 CarbonylContact O-C 3.52Å; S364-V371 VanDerWaalsContact O-CA 3.25Å; S364-V371 WeakPolarHBondContact O-CA 3.14Å; S364-K372 PolarHBondContact N-O 3.44Å; S364-K372 PolarHBondContact O-N 2.76Å; S364-W374 PolarHBondContact OG-NE1 2.88Å
365	G	98.8	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.1	178	0	0	0	0	0	112.8	C349 W350 S351	C349-G365 CarbonylContact C-O 3.27Å; C349-G365 WeakPolarHBondContact CA-O 3.47Å; C349-G365 PolarHBondContact SG-O 3.32Å; W350-G365 PolarHBondContact N-O 3.46Å; S351-G365 PolarHBondContact O-N 3.17Å
366	S	98.9	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.2	-171.4	166.8	0	0	0	0	114.5	H345 K347 R348 D368 A369 K370 V391	H345-S366 VanDerWaalsContact ND1-CB 3.31Å; H345-S366 WeakPolarHBondContact ND1-CB 3.46Å; K347-S366 PolarHBondContact O-OG 2.7Å; R348-S366 WeakPolarHBondContact O-CA 3.23Å; R348-S366 WeakPolarHBondContact O-CB 3.43Å; R348-S366 PolarHBondContact O-OG 2.93Å; S366-D368 VanDerWaalsContact CB-OD1 3.24Å; S366-D368 WeakPolarHBondContact CB-OD1 3.26Å; S366-D368 PolarHBondContact O-N 2.99Å; S366-D368 PolarHBondContact OG-N 3.14Å; S366-D368 PolarHBondContact OG-OD1 2.89Å; S366-A369 PolarHBondContact O-N 2.9Å; S366-A369 VanDerWaalsContact O-N 3.12Å; S366-K370 PolarHBondContact N-O 3.34Å; S366-V391 PolarHBondContact O-N 3.13Å
367	D	98.8	Very high	98.3	Very high	25 Å²	25	26.2 Å²	26.2	13%	0.134	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.3	165.3	-78	-32.3	0	0	0	113.5	K347 R348 W350 A369 N390	K347-D367 HydrophobicContact CB-CB 3.83Å; K347-D367 HydrophobicContact CD-CB 4Å; K347-D367 WeakPolarHBondContact CD-O 3.25Å; K347-D367 PolarHBondContact NZ-O 3.18Å; R348-D367 IonicContact NH1-OD2 3.57Å; R348-D367 PolarHBondContact O-N 2.64Å; W350-D367 PolarHBondContact NE1-OD1 2.67Å; W350-D367 PolarHBondContact NE1-OD2 3.17Å; D367-A369 PolarHBondContact O-N 3.02Å; D367-N390 PolarHBondContact OD1-ND2 2.8Å
368	D	98.5	Very high	98.3	Very high	16 Å²	16	26.5 Å²	26.5	9%	0.086	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	0.7	169.2	74.5	2.1	0	0	0	114.2	H345 E346 K347 S366 K370	H345-D368 VanDerWaalsContact CA-OD2 3.29Å; H345-D368 WeakPolarHBondContact CA-OD2 3.44Å; H345-D368 IonicContact CE1-OD1 3.96Å; H345-D368 IonicContact CE1-OD2 3.65Å; H345-D368 IonicContact CG-OD2 3.78Å; H345-D368 IonicContact ND1-OD1 2.66Å; H345-D368 PolarHBondContact ND1-OD1 2.86Å; H345-D368 IonicContact ND1-OD2 2.96Å; H345-D368 PolarHBondContact ND1-OD2 3.17Å; E346-D368 HydrophobicContact CB-CB 4.13Å; E346-D368 PolarHBondContact N-OD2 2.94Å; K347-D368 HydrophobicContact CB-CB 4.47Å; K347-D368 HydrophobicContact CG-CB 4.36Å; S366-D368 VanDerWaalsContact CB-OD1 3.24Å; S366-D368 WeakPolarHBondContact CB-OD1 3.26Å; S366-D368 PolarHBondContact O-N 2.99Å; S366-D368 PolarHBondContact OG-N 3.14Å; S366-D368 PolarHBondContact OG-OD1 2.89Å; D368-K370 VanDerWaalsContact C-N 3.28Å; D368-K370 PolarHBondContact O-N 3.25Å; D368-K370 VanDerWaalsContact OD1-CB 3.3Å; D368-K370 WeakPolarHBondContact OD1-CB 2.95Å; D368-K370 PolarHBondContact OD1-N 2.92Å
369	A	98.5	Very high	98.3	Very high	20 Å²	20	30.3 Å²	30.3	17%	0.165	16%	0.161	C	C	.	.	S	Bend	trans	64.4	22.7	-177.5	0	0	0	0	0	114.8	S366 D367 A387 A389	S366-A369 PolarHBondContact O-N 2.9Å; S366-A369 VanDerWaalsContact O-N 3.12Å; D367-A369 PolarHBondContact O-N 3.02Å; A369-A387 WeakPolarHBondContact O-CA 3.41Å; A369-A387 WeakPolarHBondContact O-CB 3.46Å; A369-A387 PolarHBondContact O-N 3.45Å; A369-A389 WeakPolarHBondContact CB-O 3.22Å
370	K	98.6	Very high	98.4	Very high	44 Å²	44	33.8 Å²	33.8	19%	0.191	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.1	175.5	-58.7	168	-172.5	175.9	0	110.6	H345 E346 S366 D368 I385	H345-K370 PolarHBondContact CE1-O 3.48Å; E346-K370 IonicContact OE1-NZ 3.81Å; E346-K370 PolarHBondContact OE1-NZ 3.37Å; S366-K370 PolarHBondContact N-O 3.34Å; D368-K370 VanDerWaalsContact C-N 3.28Å; D368-K370 PolarHBondContact O-N 3.25Å; D368-K370 VanDerWaalsContact OD1-CB 3.3Å; D368-K370 WeakPolarHBondContact OD1-CB 2.95Å; D368-K370 PolarHBondContact OD1-N 2.92Å; K370-I385 WeakPolarHBondContact CA-O 3.41Å
371	V	98.8	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.6	154.2	-178.9	0	0	0	0	107.2	S364 S384 I385 V391 V394 L404 F406	S364-V371 CarbonylContact O-C 3.52Å; S364-V371 VanDerWaalsContact O-CA 3.25Å; S364-V371 WeakPolarHBondContact O-CA 3.14Å; V371-S384 CarbonylContact O-C 3.54Å; V371-S384 WeakPolarHBondContact O-CA 3.38Å; V371-I385 HydrophobicContact CB-CB 4.17Å; V371-I385 HydrophobicContact CB-CG1 4.42Å; V371-I385 PolarHBondContact N-O 2.81Å; V371-I385 PolarHBondContact O-N 2.87Å; V371-V391 HydrophobicContact CG2-CG1 4.09Å; V371-V391 HydrophobicContact CG2-CG2 3.97Å; V371-V394 HydrophobicContact CG1-CG1 4.13Å; V371-V394 HydrophobicContact CG2-CG1 4.18Å; V371-L404 HydrophobicContact CG1-CD2 4.4Å; V371-F406 HydrophobicContact CG2-CB 4.34Å; V371-F406 HydrophobicContact CG2-CD1 3.73Å; V371-F406 HydrophobicContact CG2-CD2 4.28Å; V371-F406 HydrophobicContact CG2-CE1 3.92Å; V371-F406 HydrophobicContact CG2-CE2 4.47Å; V371-F406 HydrophobicContact CG2-CG 3.91Å; V371-F406 HydrophobicContact CG2-CZ 4.29Å
372	K	98.8	Very high	98.4	Very high	16 Å²	16	32.6 Å²	32.6	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.9	173.1	-74.8	178.7	175.9	-81.3	0	110.3	E344 A363 S364 W374	E344-K372 HydrophobicContact CB-CD 4.03Å; E344-K372 WeakPolarHBondContact O-CE 3.4Å; E344-K372 IonicContact OE2-NZ 2.67Å; E344-K372 PolarHBondContact OE2-NZ 2.95Å; A363-K372 CarbonylContact C-O 3.47Å; A363-K372 VanDerWaalsContact CA-O 3.25Å; A363-K372 WeakPolarHBondContact CA-O 3.3Å; S364-K372 PolarHBondContact N-O 3.44Å; S364-K372 PolarHBondContact O-N 2.76Å; K372-W374 HydrophobicContact CB-CH2 4.36Å; K372-W374 HydrophobicContact CB-CZ2 3.63Å; K372-W374 HydrophobicContact CD-CH2 3.61Å; K372-W374 HydrophobicContact CD-CZ2 3.51Å; K372-W374 HydrophobicContact CG-CZ2 4.2Å
373	L	98.7	Very high	98.3	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.2	167.8	-61	-173.2	0	0	0	109.3	L361 L362 A363 S381 V382 A383 F396 L404 L418	L361-L373 HydrophobicContact CD1-CB 4.45Å; L362-L373 WeakPolarHBondContact O-CA 3.45Å; A363-L373 HydrophobicContact CB-CD2 3.71Å; L373-S381 CarbonylContact O-C 3.57Å; L373-S381 WeakPolarHBondContact O-CA 3.43Å; L373-S381 VanDerWaalsContact O-CB 3.23Å; L373-S381 WeakPolarHBondContact O-CB 3.15Å; L373-V382 HydrophobicContact CB-CG2 3.64Å; L373-V382 PolarHBondContact O-N 3.31Å; L373-A383 HydrophobicContact CB-CB 4.48Å; L373-A383 HydrophobicContact CD1-CB 4.15Å; L373-A383 HydrophobicContact CG-CB 4.46Å; L373-A383 PolarHBondContact N-O 2.81Å; L373-F396 HydrophobicContact CD2-CZ 4.28Å; L373-L404 HydrophobicContact CD2-CD1 4.26Å; L373-L418 HydrophobicContact CD1-CB 4.26Å; L373-L418 HydrophobicContact CD1-CD1 3.87Å; L373-L418 HydrophobicContact CD1-CD2 4.11Å; L373-L418 HydrophobicContact CD1-CG 4.29Å; L373-L418 HydrophobicContact CD2-CD1 4.04Å; L373-L418 HydrophobicContact CD2-CD2 4.3Å
374	W	98.8	Very high	98.3	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.6	179.3	-42.4	90.5	0	0	0	110.3	Y342 E344 L361 L362 S364 K372	Y342-W374 HydrophobicContact CD1-CD2 4.07Å; Y342-W374 AromaticContact CD1-CE3 3.36Å; Y342-W374 HydrophobicContact CD1-CE3 3.36Å; Y342-W374 AromaticContact CD1-CZ3 3.73Å; Y342-W374 HydrophobicContact CD1-CZ3 3.73Å; Y342-W374 HydrophobicContact CD2-CB 4.39Å; Y342-W374 HydrophobicContact CD2-CD2 4.11Å; Y342-W374 HydrophobicContact CD2-CE3 4.22Å; Y342-W374 HydrophobicContact CD2-CG 4.2Å; Y342-W374 HydrophobicContact CE1-CB 4.37Å; Y342-W374 AromaticContact CE1-CE3 3.92Å; Y342-W374 HydrophobicContact CE1-CE3 3.92Å; Y342-W374 HydrophobicContact CE2-CB 4Å; Y342-W374 HydrophobicContact CE2-CG 4.3Å; Y342-W374 AromaticContact CG-CD2 3.85Å; Y342-W374 HydrophobicContact CG-CD2 3.85Å; Y342-W374 AromaticContact CG-CE3 3.53Å; Y342-W374 HydrophobicContact CG-CE3 3.53Å; Y342-W374 HydrophobicContact CG-CG 4.39Å; Y342-W374 HydrophobicContact CG-CH2 4.4Å; Y342-W374 AromaticContact CG-CZ3 3.85Å; Y342-W374 HydrophobicContact CG-CZ3 3.85Å; E344-W374 HydrophobicContact CB-CH2 3.82Å; E344-W374 HydrophobicContact CB-CZ3 4.36Å; E344-W374 HydrophobicContact CG-CH2 3.82Å; E344-W374 HydrophobicContact CG-CZ3 3.85Å; L361-W374 WeakPolarHBondContact CA-O 3.48Å; L361-W374 WeakPolarHBondContact CD1-O 3.27Å; L362-W374 HydrophobicContact CD2-CB 3.89Å; L362-W374 HydrophobicContact CG-CB 3.95Å; L362-W374 HydrophobicContact CG-CG 4.38Å; L362-W374 PolarHBondContact N-O 2.98Å; L362-W374 VanDerWaalsContact N-O 3.08Å; L362-W374 PolarHBondContact O-N 2.99Å; S364-W374 PolarHBondContact OG-NE1 2.88Å; K372-W374 HydrophobicContact CB-CH2 4.36Å; K372-W374 HydrophobicContact CB-CZ2 3.63Å; K372-W374 HydrophobicContact CD-CH2 3.61Å; K372-W374 HydrophobicContact CD-CZ2 3.51Å; K372-W374 HydrophobicContact CG-CZ2 4.2Å
375	S	98.3	Very high	98.2	Very high	18 Å²	18	36.9 Å²	36.9	13%	0.126	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.3	170.1	175.5	0	0	0	0	108.6	Y342 K360 N377 L378	Y342-S375 PolarHBondContact OH-O 3.13Å; K360-S375 CarbonylContact O-C 3.55Å; K360-S375 VanDerWaalsContact O-CA 3.27Å; K360-S375 WeakPolarHBondContact O-CA 3.3Å; S375-N377 PolarHBondContact O-N 3.13Å; S375-L378 PolarHBondContact O-N 3.14Å
376	T	98.1	Very high	98.2	Very high	28 Å²	28	44 Å²	44	17%	0.172	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-28.3	176.3	54.7	0	0	0	0	113.2	L318 L330 K340 F354 K360 L362	L318-T376 HydrophobicContact CD2-CG2 4.27Å; L330-T376 HydrophobicContact CD1-CG2 3.86Å; K340-T376 WeakPolarHBondContact CE-O 3.32Å; F354-T376 HydrophobicContact CE1-CG2 4.34Å; K360-T376 WeakPolarHBondContact CA-OG1 3.33Å; K360-T376 PolarHBondContact O-N 2.83Å; L362-T376 HydrophobicContact CD2-CG2 4.22Å
377	N	96.9	Very high	98.1	Very high	100 Å²	100	44.9 Å²	44.9	54%	0.535	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.2	-178.5	-71.9	45.2	0	0	0	113.9	S375	S375-N377 PolarHBondContact O-N 3.13Å
378	L	97.8	Very high	97.8	Very high	90 Å²	90	52.6 Å²	52.6	47%	0.471	29%	0.285	S	S	.	.			trans	-127.9	160.7	-177	-61.6	174.5	0	0	0	110.3	K340 Y342 S375 V382	K340-L378 WeakPolarHBondContact CE-O 3.39Å; Y342-L378 VanDerWaalsContact CE1-O 3.32Å; Y342-L378 WeakPolarHBondContact CE1-O 3.28Å; Y342-L378 PolarHBondContact OH-O 2.72Å; Y342-L378 VanDerWaalsContact OH-O 3.13Å; S375-L378 PolarHBondContact O-N 3.14Å; L378-V382 HydrophobicContact CD1-CG1 3.68Å
379	D	97.4	Very high	97.8	Very high	105 Å²	105	53 Å²	53	56%	0.561	29%	0.291	S	S	*	.	S	Bend	trans	-97.4	-18.2	-178.5	-60.7	-73.4	0	0	0	113.5	K340 Y342	K340-D379 VanDerWaalsContact NZ-CG 3.31Å; K340-D379 IonicContact NZ-OD1 2.67Å; K340-D379 PolarHBondContact NZ-OD1 3.12Å; K340-D379 IonicContact NZ-OD2 3.89Å; K340-D379 PolarHBondContact NZ-OD2 3.23Å; Y342-D379 WeakPolarHBondContact CD1-O 3.4Å
380	N	97.7	Very high	97.8	Very high	112 Å²	112	55 Å²	55	60%	0.599	30%	0.299	S	S	*	.	S	Bend	trans	-114.8	163.4	179.9	-59.1	-26.6	0	0	0	111	E344	E344-N380 WeakPolarHBondContact OE1-CA 3.23Å; E344-N380 WeakPolarHBondContact OE1-CB 3.16Å
381	S	98.1	Very high	97.8	Very high	32 Å²	32	52.9 Å²	52.9	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	142.1	174.8	64.3	0	0	0	0	111.9	E344 L373	E344-S381 PolarHBondContact OE1-N 3.3Å; E344-S381 WeakPolarHBondContact OE2-CB 3.47Å; E344-S381 PolarHBondContact OE2-OG 3.06Å; L373-S381 CarbonylContact O-C 3.57Å; L373-S381 WeakPolarHBondContact O-CA 3.43Å; L373-S381 VanDerWaalsContact O-CB 3.23Å; L373-S381 WeakPolarHBondContact O-CB 3.15Å
382	V	98.1	Very high	97.8	Very high	68 Å²	68	53.4 Å²	53.4	41%	0.412	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-22	179.6	-62	0	0	0	0	112.8	L361 L373 L378	L361-V382 HydrophobicContact CD1-CG2 3.98Å; L373-V382 HydrophobicContact CB-CG2 3.64Å; L373-V382 PolarHBondContact O-N 3.31Å; L378-V382 HydrophobicContact CD1-CG1 3.68Å
383	A	97.3	Very high	97.8	Very high	33 Å²	33	52.9 Å²	52.9	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	161.3	171.8	0	0	0	0	0	110.2	L373	L373-A383 HydrophobicContact CB-CB 4.48Å; L373-A383 HydrophobicContact CD1-CB 4.15Å; L373-A383 HydrophobicContact CG-CB 4.46Å; L373-A383 PolarHBondContact N-O 2.81Å
384	S	97.7	Very high	97.8	Very high	55 Å²	55	52.6 Å²	52.6	39%	0.385	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.8	166.4	56.5	0	0	0	0	111.5	V371	V371-S384 CarbonylContact O-C 3.54Å; V371-S384 WeakPolarHBondContact O-CA 3.38Å
385	I	98.4	Very high	97.8	Very high	3 Å²	3	54 Å²	54	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.8	169	-42.5	-178.1	0	0	0	107.1	K370 V371 Y416 L418 T421	K370-I385 WeakPolarHBondContact CA-O 3.41Å; V371-I385 HydrophobicContact CB-CB 4.17Å; V371-I385 HydrophobicContact CB-CG1 4.42Å; V371-I385 PolarHBondContact N-O 2.81Å; V371-I385 PolarHBondContact O-N 2.87Å; I385-Y416 HydrophobicContact CD1-CD1 4.04Å; I385-Y416 HydrophobicContact CD1-CG 4.01Å; I385-Y416 HydrophobicContact CG2-CD1 4.21Å; I385-Y416 HydrophobicContact CG2-CE1 3.64Å; I385-Y416 HydrophobicContact CG2-CE2 4.12Å; I385-L418 HydrophobicContact CD1-CD2 3.96Å; I385-T421 HydrophobicContact CD1-CG2 4.05Å; I385-T421 HydrophobicContact CG1-CG2 3.77Å
386	E	97.4	Very high	97.8	Very high	150 Å²	150	53.2 Å²	53.2	70%	0.701	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.7	174.4	-62.4	-172.1	151	0	0	109.6
387	A	96.8	Very high	97.8	Very high	17 Å²	17	52 Å²	52	14%	0.14	28%	0.283	C	S	.	.			trans	-90.3	164.9	174	0	0	0	0	0	110.7	A369 A389 V391 F406	A369-A387 WeakPolarHBondContact O-CA 3.41Å; A369-A387 WeakPolarHBondContact O-CB 3.46Å; A369-A387 PolarHBondContact O-N 3.45Å; A387-A389 VanDerWaalsContact C-N 3.32Å; A387-V391 HydrophobicContact CB-CG2 3.72Å; A387-F406 HydrophobicContact CB-CE2 3.78Å; A387-F406 HydrophobicContact CB-CZ 4.09Å
388	K	93.8	Very high	97.7	Very high	187 Å²	187	49.8 Å²	49.8	81%	0.813	27%	0.274	S	S	*	.	S	Bend	trans	-80.5	-14.1	-178.6	-64.4	-178.1	179.8	-179.7	0	113.9
389	A	97.8	Very high	97.6	Very high	24 Å²	24	49.1 Å²	49.1	20%	0.198	28%	0.277	C	S	.	.	S	Bend	trans	-158.8	178.6	178	0	0	0	0	0	109.2	A369 A387 V391 A409 D410	A369-A389 WeakPolarHBondContact CB-O 3.22Å; A387-A389 VanDerWaalsContact C-N 3.32Å; A389-V391 PolarHBondContact O-N 3.13Å; A389-A409 HydrophobicContact CB-CB 3.89Å; A389-D410 HydrophobicContact CB-CB 4.42Å
390	N	98.5	Very high	97.6	Very high	62 Å²	62	45.2 Å²	45.2	33%	0.332	26%	0.258	S	S	.	.			trans	-47.9	135	179.8	-52.3	33.5	0	0	0	112.1	D367 A409	D367-N390 PolarHBondContact OD1-ND2 2.8Å; N390-A409 HydrophobicContact CB-CB 4.02Å; N390-A409 WeakPolarHBondContact O-CB 3.44Å; N390-A409 PolarHBondContact O-N 3.05Å
391	V	98.8	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.3	176.7	-177.2	0	0	0	0	109.1	S366 V371 A387 A389 V394 F406	S366-V391 PolarHBondContact O-N 3.13Å; V371-V391 HydrophobicContact CG2-CG1 4.09Å; V371-V391 HydrophobicContact CG2-CG2 3.97Å; A387-V391 HydrophobicContact CB-CG2 3.72Å; A389-V391 PolarHBondContact O-N 3.13Å; V391-V394 HydrophobicContact CG1-CG1 3.9Å; V391-F406 HydrophobicContact CG1-CB 3.99Å; V391-F406 HydrophobicContact CG1-CD2 4.01Å; V391-F406 HydrophobicContact CG1-CG 4.3Å; V391-F406 HydrophobicContact CG2-CD2 4.17Å; V391-F406 HydrophobicContact CG2-CE2 4.27Å
392	C	98.6	Very high	97.6	Very high	12 Å²	12	47.2 Å²	47.2	8%	0.081	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-27.5	-174.8	-60	0	0	0	0	112.9	W350 G407 V435 F478	W350-C392 VanDerWaalsContact CB-O 3.27Å; W350-C392 WeakPolarHBondContact CB-O 3.18Å; C392-G407 PolarHBondContact N-O 2.84Å; C392-V435 WeakPolarHBondContact CB-O 3.38Å; C392-F478 HydrophobicContact CB-CE1 4.17Å; C392-F478 HydrophobicContact CB-CZ 4.21Å
393	C	98.6	Very high	97.6	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	148.6	178.8	57.5	0	0	0	0	112	F406 G407 Y437 A438	C393-F406 CarbonylContact O-C 3.58Å; C393-F406 WeakPolarHBondContact O-CA 3.37Å; C393-F406 VanDerWaalsContact O-CB 3.22Å; C393-F406 WeakPolarHBondContact O-CB 3.45Å; C393-G407 PolarHBondContact O-N 3.37Å; C393-G407 WeakPolarHBondContact SG-CA 3.14Å; C393-G407 PolarHBondContact SG-N 3.35Å; C393-Y437 WeakPolarHBondContact SG-CA 3.45Å; C393-A438 PolarHBondContact SG-N 3.26Å
394	V	98.8	Very high	97.6	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.1	171.4	-61.4	0	0	0	0	109.9	S351 D353 A363 V371 V391 F406	S351-V394 PolarHBondContact OG-N 3.45Å; S351-V394 VanDerWaalsContact OG-N 3.08Å; S351-V394 PolarHBondContact OG-O 3.21Å; D353-V394 HydrophobicContact CB-CG2 4.29Å; A363-V394 HydrophobicContact CB-CG2 4.42Å; V371-V394 HydrophobicContact CG1-CG1 4.13Å; V371-V394 HydrophobicContact CG2-CG1 4.18Å; V391-V394 HydrophobicContact CG1-CG1 3.9Å; V394-F406 HydrophobicContact CG1-CB 3.97Å
395	K	98.7	Very high	97.6	Very high	31 Å²	31	42 Å²	42	14%	0.135	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	136.5	171	-160.2	80.2	-172.3	84.1	0	111.5	D353 A405 K439 F440	D353-K395 IonicContact OD1-NZ 2.8Å; D353-K395 PolarHBondContact OD1-NZ 3.07Å; D353-K395 VanDerWaalsContact OD2-CA 3.32Å; D353-K395 WeakPolarHBondContact OD2-CA 3.33Å; D353-K395 VanDerWaalsContact OD2-CD 3.27Å; D353-K395 WeakPolarHBondContact OD2-CD 3.46Å; D353-K395 IonicContact OD2-NZ 2.68Å; D353-K395 PolarHBondContact OD2-NZ 2.73Å; K395-A405 PolarHBondContact N-O 2.78Å; K395-A405 PolarHBondContact O-N 2.98Å; K395-K439 HydrophobicContact CD-CD 4.04Å; K395-F440 HydrophobicContact CB-CD2 4.31Å; K395-F440 HydrophobicContact CB-CE2 4.38Å; K395-F440 HydrophobicContact CG-CD2 4.1Å
396	F	98.6	Very high	97.7	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.8	167.5	-78.1	-85.5	0	0	0	112.3	D353 F354 N355 L361 A363 L373 L404 L418 F440	D353-F396 HydrophobicContact CB-CD2 4.34Å; D353-F396 WeakPolarHBondContact O-CE2 3.22Å; D353-F396 PolarHBondContact OD2-N 2.98Å; F354-F396 WeakPolarHBondContact O-CD2 3.25Å; N355-F396 HydrophobicContact CB-CD1 3.84Å; N355-F396 HydrophobicContact CB-CD2 3.99Å; N355-F396 HydrophobicContact CB-CE1 3.79Å; N355-F396 HydrophobicContact CB-CE2 3.93Å; N355-F396 HydrophobicContact CB-CG 3.93Å; N355-F396 HydrophobicContact CB-CZ 3.84Å; N355-F396 WeakPolarHBondContact ND2-CE1 3.49Å; L361-F396 HydrophobicContact CD2-CE1 3.78Å; L361-F396 HydrophobicContact CD2-CZ 3.79Å; L361-F396 HydrophobicContact CG-CZ 4.14Å; A363-F396 HydrophobicContact CB-CD2 4.46Å; A363-F396 HydrophobicContact CB-CE2 3.51Å; A363-F396 HydrophobicContact CB-CZ 3.8Å; L373-F396 HydrophobicContact CD2-CZ 4.28Å; F396-L404 HydrophobicContact CD1-CD1 4.46Å; F396-L404 HydrophobicContact CE1-CD1 4.16Å; F396-L404 HydrophobicContact CE2-CD1 4.23Å; F396-L404 HydrophobicContact CZ-CD1 4.04Å; F396-L418 HydrophobicContact CD1-CD1 4.45Å; F396-L418 HydrophobicContact CE1-CD1 3.58Å; F396-L418 HydrophobicContact CZ-CD1 4.3Å; F396-F440 WeakPolarHBondContact O-CD2 3.34Å; F396-F440 WeakPolarHBondContact O-CE2 3.38Å
397	S	97.6	Very high	97.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.7	170	179.5	0	0	0	0	110.8	S399 H403	S397-S399 PolarHBondContact O-N 3.22Å; S397-S399 PolarHBondContact OG-N 2.94Å; S397-H403 PolarHBondContact N-O 2.94Å
398	P	95.3	Very high	97.8	Very high	54 Å²	54	33.9 Å²	33.9	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-5.6	173.5	31.4	-36.6	0	0	0	113.4	L356 F440	L356-P398 HydrophobicContact CD1-CB 3.91Å; P398-F440 HydrophobicContact CG-CB 4.06Å
399	S	95.9	Very high	98	Very high	77 Å²	77	26.3 Å²	26.3	54%	0.538	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	3.3	-173.8	-51.1	0	0	0	0	114.1	S397 G443	S397-S399 PolarHBondContact O-N 3.22Å; S397-S399 PolarHBondContact OG-N 2.94Å; S399-G443 VanDerWaalsContact OG-CA 3.26Å; S399-G443 WeakPolarHBondContact OG-CA 3.49Å
400	S	97	Very high	98	Very high	22 Å²	22	27.2 Å²	27.2	15%	0.154	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	121.7	172.5	173.3	0	0	0	0	112.1	M357 Y402 H403	M357-S400 PolarHBondContact SD-N 3.16Å; M357-S400 VanDerWaalsContact SD-N 3.35Å; S400-Y402 PolarHBondContact O-N 2.85Å; S400-Y402 PolarHBondContact OG-N 3.23Å; S400-H403 VanDerWaalsContact CB-ND1 3.33Å; S400-H403 WeakPolarHBondContact CB-ND1 3.43Å; S400-H403 PolarHBondContact O-N 3.48Å; S400-H403 VanDerWaalsContact O-N 3.11Å; S400-H403 PolarHBondContact OG-ND1 2.96Å
401	R	97.3	Very high	97.9	Very high	99 Å²	99	28.1 Å²	28.1	37%	0.374	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	-13.8	172.1	72.2	-172.6	-75	-145.3	3.6	114.6	N355 M357 D358	N355-R401 PolarHBondContact ND2-O 3.16Å; N355-R401 WeakPolarHBondContact OD1-CA 3.46Å; M357-R401 HydrophobicContact CB-CB 3.66Å; D358-R401 HydrophobicContact CB-CB 4.4Å; D358-R401 IonicContact OD2-CZ 2.63Å; D358-R401 IonicContact OD2-NE 2.79Å; D358-R401 PolarHBondContact OD2-NE 2.92Å; D358-R401 IonicContact OD2-NH2 2.74Å; D358-R401 PolarHBondContact OD2-NH2 3.11Å
402	Y	97.8	Very high	97.9	Very high	87 Å²	87	28.8 Å²	28.8	34%	0.341	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-3.7	-178	-56.2	-67.7	0	0	0	113.5	S400 D417 L418 R419	S400-Y402 PolarHBondContact O-N 2.85Å; S400-Y402 PolarHBondContact OG-N 3.23Å; Y402-D417 WeakPolarHBondContact O-CA 3.48Å; Y402-L418 WeakPolarHBondContact O-CG 3.35Å; Y402-L418 PolarHBondContact O-N 3Å; Y402-R419 HydrophobicContact CD1-CG 3.66Å; Y402-R419 HydrophobicContact CE1-CG 4.21Å; Y402-R419 HydrophobicContact CG-CG 4Å
403	H	98.2	Very high	97.9	Very high	45 Å²	45	28.2 Å²	28.2	21%	0.208	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.9	-176.7	-64.2	165.3	0	0	0	111.5	S397 S400 Y415 Y416	S397-H403 PolarHBondContact N-O 2.94Å; S400-H403 VanDerWaalsContact CB-ND1 3.33Å; S400-H403 WeakPolarHBondContact CB-ND1 3.43Å; S400-H403 PolarHBondContact O-N 3.48Å; S400-H403 VanDerWaalsContact O-N 3.11Å; S400-H403 PolarHBondContact OG-ND1 2.96Å; H403-Y415 HydrophobicContact CB-CE2 3.86Å; H403-Y415 WeakPolarHBondContact CB-OH 3.3Å; H403-Y415 AromaticContact CG-CZ 3.96Å; H403-Y415 VanDerWaalsContact CG-OH 3.31Å; H403-Y415 PolarHBondContact ND1-OH 3.49Å; H403-Y416 WeakPolarHBondContact CA-O 3.47Å
404	L	98.4	Very high	97.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.1	-179.9	-178	148.5	0	0	0	109.9	A363 V371 L373 F396 F406 Y415 Y416 L418	A363-L404 HydrophobicContact CB-CD1 3.46Å; A363-L404 VanDerWaalsContact CB-CD1 3.46Å; V371-L404 HydrophobicContact CG1-CD2 4.4Å; L373-L404 HydrophobicContact CD2-CD1 4.26Å; F396-L404 HydrophobicContact CD1-CD1 4.46Å; F396-L404 HydrophobicContact CE1-CD1 4.16Å; F396-L404 HydrophobicContact CE2-CD1 4.23Å; F396-L404 HydrophobicContact CZ-CD1 4.04Å; L404-F406 HydrophobicContact CD2-CB 4.24Å; L404-F406 HydrophobicContact CD2-CD1 3.85Å; L404-Y415 WeakPolarHBondContact O-CA 3.41Å; L404-Y415 WeakPolarHBondContact O-CD2 3.4Å; L404-Y416 PolarHBondContact N-O 2.93Å; L404-Y416 VanDerWaalsContact N-O 3.16Å; L404-Y416 PolarHBondContact O-N 2.88Å; L404-L418 HydrophobicContact CB-CD1 4.34Å; L404-L418 HydrophobicContact CB-CD2 3.98Å; L404-L418 HydrophobicContact CB-CG 4.33Å
405	A	98.5	Very high	97.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.7	169.8	0	0	0	0	0	110.2	K395 V413 H414 Y415 F440 I446	K395-A405 PolarHBondContact N-O 2.78Å; K395-A405 PolarHBondContact O-N 2.98Å; A405-V413 HydrophobicContact CB-CG1 4.31Å; A405-H414 CarbonylContact C-O 3.53Å; A405-H414 WeakPolarHBondContact CA-O 3.21Å; A405-Y415 HydrophobicContact CB-CD2 4.19Å; A405-F440 HydrophobicContact CB-CE2 3.74Å; A405-F440 HydrophobicContact CB-CZ 3.7Å; A405-I446 HydrophobicContact CB-CD1 4.07Å
406	F	98.6	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.4	171.2	67.5	-100.8	0	0	0	112.7	V371 A387 V391 C393 V394 L404 C408 V413 H414 Y416	V371-F406 HydrophobicContact CG2-CB 4.34Å; V371-F406 HydrophobicContact CG2-CD1 3.73Å; V371-F406 HydrophobicContact CG2-CD2 4.28Å; V371-F406 HydrophobicContact CG2-CE1 3.92Å; V371-F406 HydrophobicContact CG2-CE2 4.47Å; V371-F406 HydrophobicContact CG2-CG 3.91Å; V371-F406 HydrophobicContact CG2-CZ 4.29Å; A387-F406 HydrophobicContact CB-CE2 3.78Å; A387-F406 HydrophobicContact CB-CZ 4.09Å; V391-F406 HydrophobicContact CG1-CB 3.99Å; V391-F406 HydrophobicContact CG1-CD2 4.01Å; V391-F406 HydrophobicContact CG1-CG 4.3Å; V391-F406 HydrophobicContact CG2-CD2 4.17Å; V391-F406 HydrophobicContact CG2-CE2 4.27Å; C393-F406 CarbonylContact O-C 3.58Å; C393-F406 WeakPolarHBondContact O-CA 3.37Å; C393-F406 VanDerWaalsContact O-CB 3.22Å; C393-F406 WeakPolarHBondContact O-CB 3.45Å; V394-F406 HydrophobicContact CG1-CB 3.97Å; L404-F406 HydrophobicContact CD2-CB 4.24Å; L404-F406 HydrophobicContact CD2-CD1 3.85Å; F406-C408 HydrophobicContact CD2-CB 4.45Å; F406-C408 HydrophobicContact CE2-CB 4.41Å; F406-V413 WeakPolarHBondContact O-CA 3.46Å; F406-H414 HydrophobicContact CD1-CB 4.18Å; F406-H414 HydrophobicContact CD2-CB 4.07Å; F406-H414 HydrophobicContact CE1-CB 3.83Å; F406-H414 HydrophobicContact CE2-CB 3.68Å; F406-H414 AromaticContact CE2-CD2 3.74Å; F406-H414 AromaticContact CE2-CG 3.77Å; F406-H414 HydrophobicContact CG-CB 4.31Å; F406-H414 HydrophobicContact CZ-CB 3.57Å; F406-H414 AromaticContact CZ-CG 3.93Å; F406-H414 PolarHBondContact N-O 2.9Å; F406-H414 PolarHBondContact O-N 2.89Å; F406-Y416 HydrophobicContact CD1-CD2 4.25Å; F406-Y416 AromaticContact CE1-CD2 3.46Å; F406-Y416 HydrophobicContact CE1-CD2 3.46Å; F406-Y416 VanDerWaalsContact CE1-CD2 3.46Å; F406-Y416 AromaticContact CE1-CE2 3.46Å; F406-Y416 HydrophobicContact CE1-CE2 3.46Å; F406-Y416 VanDerWaalsContact CE1-CE2 3.46Å; F406-Y416 HydrophobicContact CE1-CG 4.48Å; F406-Y416 HydrophobicContact CZ-CD2 4.19Å; F406-Y416 AromaticContact CZ-CE2 3.72Å; F406-Y416 HydrophobicContact CZ-CE2 3.72Å
407	G	98.4	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.8	174.6	0	0	0	0	0	110.6	C392 C393	C392-G407 PolarHBondContact N-O 2.84Å; C393-G407 PolarHBondContact O-N 3.37Å; C393-G407 WeakPolarHBondContact SG-CA 3.14Å; C393-G407 PolarHBondContact SG-N 3.35Å
408	C	98	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.9	-172.4	-174.9	0	0	0	0	111.4	F406 D410 H411 C412 V435	F406-C408 HydrophobicContact CD2-CB 4.45Å; F406-C408 HydrophobicContact CE2-CB 4.41Å; C408-D410 VanDerWaalsContact CB-OD1 3.23Å; C408-D410 WeakPolarHBondContact CB-OD1 3.44Å; C408-D410 PolarHBondContact O-N 2.83Å; C408-D410 PolarHBondContact SG-N 2.87Å; C408-D410 PolarHBondContact SG-OD1 2.88Å; C408-D410 VanDerWaalsContact SG-OD1 3.38Å; C408-H411 PolarHBondContact O-N 2.91Å; C408-C412 PolarHBondContact N-O 3.02Å; C408-C412 VanDerWaalsContact N-O 3.13Å; C408-V435 PolarHBondContact O-N 2.79Å; C408-V435 VanDerWaalsContact O-N 3.16Å
409	A	98.2	Very high	97.8	Very high	28 Å²	28	35.5 Å²	35.5	23%	0.231	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14	171.2	0	0	0	0	0	113.2	A389 N390 H411 A434	A389-A409 HydrophobicContact CB-CB 3.89Å; N390-A409 HydrophobicContact CB-CB 4.02Å; N390-A409 WeakPolarHBondContact O-CB 3.44Å; N390-A409 PolarHBondContact O-N 3.05Å; A409-H411 PolarHBondContact O-CE1 2.82Å; A409-H411 VanDerWaalsContact O-CE1 3.31Å; A409-H411 PolarHBondContact O-N 2.92Å; A409-H411 VanDerWaalsContact O-N 3.14Å; A409-H411 PolarHBondContact O-ND1 3.16Å; A409-A434 HydrophobicContact CB-CB 4.29Å
410	D	97.8	Very high	97.8	Very high	44 Å²	44	35.4 Å²	35.4	24%	0.235	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	12.6	171.4	75.2	6	0	0	0	114.9	A389 C408 C412 H414	A389-D410 HydrophobicContact CB-CB 4.42Å; C408-D410 VanDerWaalsContact CB-OD1 3.23Å; C408-D410 WeakPolarHBondContact CB-OD1 3.44Å; C408-D410 PolarHBondContact O-N 2.83Å; C408-D410 PolarHBondContact SG-N 2.87Å; C408-D410 PolarHBondContact SG-OD1 2.88Å; C408-D410 VanDerWaalsContact SG-OD1 3.38Å; D410-C412 PolarHBondContact O-N 3.13Å; D410-C412 PolarHBondContact O-SG 2.85Å; D410-C412 VanDerWaalsContact O-SG 3.42Å; D410-C412 VanDerWaalsContact OD1-CB 3.29Å; D410-C412 WeakPolarHBondContact OD1-CB 3.33Å; D410-C412 PolarHBondContact OD1-N 2.91Å; D410-C412 VanDerWaalsContact OD1-N 3.16Å; D410-H414 VanDerWaalsContact CG-NE2 3.33Å; D410-H414 IonicContact OD1-CD2 2.63Å; D410-H414 IonicContact OD1-CE1 3.45Å; D410-H414 IonicContact OD1-NE2 3.31Å; D410-H414 PolarHBondContact OD1-NE2 3.07Å; D410-H414 IonicContact OD2-CE1 2.67Å; D410-H414 PolarHBondContact OD2-CE1 3.42Å; D410-H414 VanDerWaalsContact OD2-CE1 3.22Å; D410-H414 IonicContact OD2-NE2 3.92Å; D410-H414 PolarHBondContact OD2-NE2 2.99Å
411	H	97.9	Very high	97.6	Very high	80 Å²	80	36.5 Å²	36.5	37%	0.37	17%	0.17	S	C	.	.	S	Bend	trans	69.4	13.4	175.3	-41.9	-1.2	0	0	0	114.1	C408 A409 R432 K433 A434	C408-H411 PolarHBondContact O-N 2.91Å; A409-H411 PolarHBondContact O-CE1 2.82Å; A409-H411 VanDerWaalsContact O-CE1 3.31Å; A409-H411 PolarHBondContact O-N 2.92Å; A409-H411 VanDerWaalsContact O-N 3.14Å; A409-H411 PolarHBondContact O-ND1 3.16Å; H411-R432 PolarHBondContact CD2-O 3.36Å; H411-R432 VanDerWaalsContact CD2-O 3.28Å; H411-R432 PolarHBondContact NE2-O 2.97Å; H411-K433 VanDerWaalsContact CA-O 3.3Å; H411-K433 WeakPolarHBondContact CA-O 3.36Å; H411-K433 VanDerWaalsContact CB-O 3.24Å; H411-K433 WeakPolarHBondContact CB-O 3.17Å; H411-K433 VanDerWaalsContact CG-C 3.43Å; H411-K433 VanDerWaalsContact ND1-C 3.29Å; H411-A434 PolarHBondContact ND1-N 3.44Å
412	C	97.6	Very high	97.3	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.095	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	155.5	177.7	-51.7	0	0	0	0	111.9	C408 D410 V427 F428	C408-C412 PolarHBondContact N-O 3.02Å; C408-C412 VanDerWaalsContact N-O 3.13Å; D410-C412 PolarHBondContact O-N 3.13Å; D410-C412 PolarHBondContact O-SG 2.85Å; D410-C412 VanDerWaalsContact O-SG 3.42Å; D410-C412 VanDerWaalsContact OD1-CB 3.29Å; D410-C412 WeakPolarHBondContact OD1-CB 3.33Å; D410-C412 PolarHBondContact OD1-N 2.91Å; D410-C412 VanDerWaalsContact OD1-N 3.16Å; C412-V427 HydrophobicContact CB-CG1 3.65Å; C412-F428 VanDerWaalsContact CA-O 3.28Å; C412-F428 WeakPolarHBondContact CA-O 3.49Å; C412-F428 WeakPolarHBondContact CB-O 3.35Å
413	V	98.3	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.4	157.2	177.8	0	0	0	0	107.5	A405 F406 F428 V435 A438	A405-V413 HydrophobicContact CB-CG1 4.31Å; F406-V413 WeakPolarHBondContact O-CA 3.46Å; V413-F428 HydrophobicContact CB-CB 4.17Å; V413-F428 HydrophobicContact CB-CD2 3.92Å; V413-F428 HydrophobicContact CG1-CD2 3.95Å; V413-F428 PolarHBondContact N-O 2.93Å; V413-F428 WeakPolarHBondContact O-CD2 3.46Å; V413-F428 PolarHBondContact O-N 3.34Å; V413-V435 HydrophobicContact CG2-CG1 3.81Å; V413-V435 HydrophobicContact CG2-CG2 4.41Å; V413-A438 HydrophobicContact CG1-CB 4.47Å; V413-A438 HydrophobicContact CG2-CB 4.45Å
414	H	98.3	Very high	97	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137	175.7	-60.5	-103.9	0	0	0	109	A405 F406 D410 Y416	A405-H414 CarbonylContact C-O 3.53Å; A405-H414 WeakPolarHBondContact CA-O 3.21Å; F406-H414 HydrophobicContact CD1-CB 4.18Å; F406-H414 HydrophobicContact CD2-CB 4.07Å; F406-H414 HydrophobicContact CE1-CB 3.83Å; F406-H414 HydrophobicContact CE2-CB 3.68Å; F406-H414 AromaticContact CE2-CD2 3.74Å; F406-H414 AromaticContact CE2-CG 3.77Å; F406-H414 HydrophobicContact CG-CB 4.31Å; F406-H414 HydrophobicContact CZ-CB 3.57Å; F406-H414 AromaticContact CZ-CG 3.93Å; F406-H414 PolarHBondContact N-O 2.9Å; F406-H414 PolarHBondContact O-N 2.89Å; D410-H414 VanDerWaalsContact CG-NE2 3.33Å; D410-H414 IonicContact OD1-CD2 2.63Å; D410-H414 IonicContact OD1-CE1 3.45Å; D410-H414 IonicContact OD1-NE2 3.31Å; D410-H414 PolarHBondContact OD1-NE2 3.07Å; D410-H414 IonicContact OD2-CE1 2.67Å; D410-H414 PolarHBondContact OD2-CE1 3.42Å; D410-H414 VanDerWaalsContact OD2-CE1 3.22Å; D410-H414 IonicContact OD2-NE2 3.92Å; D410-H414 PolarHBondContact OD2-NE2 2.99Å; H414-Y416 HydrophobicContact CB-CD2 4.24Å; H414-Y416 HydrophobicContact CB-CE2 4Å
415	Y	98.3	Very high	96.9	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.9	-179.1	179	-114.5	0	0	0	110.1	H403 L404 A405 P424 I425 M426 F428 F440 I446 V460	H403-Y415 HydrophobicContact CB-CE2 3.86Å; H403-Y415 WeakPolarHBondContact CB-OH 3.3Å; H403-Y415 AromaticContact CG-CZ 3.96Å; H403-Y415 VanDerWaalsContact CG-OH 3.31Å; H403-Y415 PolarHBondContact ND1-OH 3.49Å; L404-Y415 WeakPolarHBondContact O-CA 3.41Å; L404-Y415 WeakPolarHBondContact O-CD2 3.4Å; A405-Y415 HydrophobicContact CB-CD2 4.19Å; Y415-P424 CarbonylContact O-C 3.46Å; Y415-P424 WeakPolarHBondContact O-CA 3.49Å; Y415-I425 HydrophobicContact CD1-CB 3.9Å; Y415-I425 HydrophobicContact CD1-CD1 3.77Å; Y415-I425 HydrophobicContact CD1-CG1 4.41Å; Y415-I425 HydrophobicContact CD1-CG2 4.21Å; Y415-I425 HydrophobicContact CE1-CB 4.38Å; Y415-I425 HydrophobicContact CE1-CD1 3.56Å; Y415-I425 HydrophobicContact CE1-CG2 4.39Å; Y415-I425 PolarHBondContact O-N 2.94Å; Y415-M426 HydrophobicContact CD1-CB 4.46Å; Y415-M426 PolarHBondContact N-O 3.09Å; Y415-M426 PolarHBondContact O-N 3.36Å; Y415-F428 HydrophobicContact CG-CE2 4.49Å; Y415-F440 HydrophobicContact CD2-CZ 4.23Å; Y415-F440 HydrophobicContact CE2-CE1 4.05Å; Y415-F440 AromaticContact CE2-CZ 3.84Å; Y415-F440 HydrophobicContact CE2-CZ 3.84Å; Y415-I446 HydrophobicContact CD2-CD1 4.2Å; Y415-V460 HydrophobicContact CD1-CG1 4.13Å; Y415-V460 HydrophobicContact CE1-CB 4.46Å; Y415-V460 HydrophobicContact CE1-CG1 3.36Å; Y415-V460 HydrophobicContact CE1-CG2 4.35Å
416	Y	98.3	Very high	96.9	Very high	17 Å²	17	48.6 Å²	48.6	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.7	-165.2	-91.2	-95.3	0	0	0	112.9	I385 H403 L404 F406 H414 T421 Q423 P424	I385-Y416 HydrophobicContact CD1-CD1 4.04Å; I385-Y416 HydrophobicContact CD1-CG 4.01Å; I385-Y416 HydrophobicContact CG2-CD1 4.21Å; I385-Y416 HydrophobicContact CG2-CE1 3.64Å; I385-Y416 HydrophobicContact CG2-CE2 4.12Å; H403-Y416 WeakPolarHBondContact CA-O 3.47Å; L404-Y416 PolarHBondContact N-O 2.93Å; L404-Y416 VanDerWaalsContact N-O 3.16Å; L404-Y416 PolarHBondContact O-N 2.88Å; F406-Y416 HydrophobicContact CD1-CD2 4.25Å; F406-Y416 AromaticContact CE1-CD2 3.46Å; F406-Y416 HydrophobicContact CE1-CD2 3.46Å; F406-Y416 VanDerWaalsContact CE1-CD2 3.46Å; F406-Y416 AromaticContact CE1-CE2 3.46Å; F406-Y416 HydrophobicContact CE1-CE2 3.46Å; F406-Y416 VanDerWaalsContact CE1-CE2 3.46Å; F406-Y416 HydrophobicContact CE1-CG 4.48Å; F406-Y416 HydrophobicContact CZ-CD2 4.19Å; F406-Y416 AromaticContact CZ-CE2 3.72Å; F406-Y416 HydrophobicContact CZ-CE2 3.72Å; H414-Y416 HydrophobicContact CB-CD2 4.24Å; H414-Y416 HydrophobicContact CB-CE2 4Å; Y416-T421 WeakPolarHBondContact CE1-O 3.38Å; Y416-Q423 WeakPolarHBondContact CE1-O 3.22Å; Y416-P424 HydrophobicContact CD2-CB 4Å; Y416-P424 HydrophobicContact CE1-CB 4.39Å; Y416-P424 HydrophobicContact CE2-CB 3.65Å; Y416-P424 HydrophobicContact CE2-CG 4.42Å
417	D	97.8	Very high	96.8	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.139	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.1	159.5	-168.5	-24.7	0	0	0	108.3	Y402 R419 N420 I425	Y402-D417 WeakPolarHBondContact O-CA 3.48Å; D417-R419 PolarHBondContact O-N 2.89Å; D417-R419 VanDerWaalsContact O-N 3.13Å; D417-R419 WeakPolarHBondContact OD1-CB 3.17Å; D417-R419 VanDerWaalsContact OD1-CG 3.22Å; D417-R419 WeakPolarHBondContact OD1-CG 3.24Å; D417-R419 IonicContact OD1-CZ 2.7Å; D417-R419 PolarHBondContact OD1-N 3.44Å; D417-R419 IonicContact OD1-NE 3.75Å; D417-R419 PolarHBondContact OD1-NE 3.13Å; D417-R419 IonicContact OD1-NH2 2.65Å; D417-R419 IonicContact OD2-CZ 2.61Å; D417-R419 IonicContact OD2-NE 3.81Å; D417-R419 PolarHBondContact OD2-NE 2.98Å; D417-R419 IonicContact OD2-NH2 3.97Å; D417-R419 PolarHBondContact OD2-NH2 2.99Å; D417-N420 CarbonylContact O-C 3.48Å; D417-N420 VanDerWaalsContact O-C 3.27Å; D417-N420 PolarHBondContact O-N 2.6Å; D417-I425 HydrophobicContact CB-CD1 3.95Å; D417-I425 HydrophobicContact CB-CG1 4.12Å
418	L	96.9	Very high	96.8	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.136	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.4	179.6	-56.7	-177.7	0	0	0	112.6	L361 L373 I385 F396 Y402 L404 N420	L361-L418 HydrophobicContact CD2-CD1 4.16Å; L373-L418 HydrophobicContact CD1-CB 4.26Å; L373-L418 HydrophobicContact CD1-CD1 3.87Å; L373-L418 HydrophobicContact CD1-CD2 4.11Å; L373-L418 HydrophobicContact CD1-CG 4.29Å; L373-L418 HydrophobicContact CD2-CD1 4.04Å; L373-L418 HydrophobicContact CD2-CD2 4.3Å; I385-L418 HydrophobicContact CD1-CD2 3.96Å; F396-L418 HydrophobicContact CD1-CD1 4.45Å; F396-L418 HydrophobicContact CE1-CD1 3.58Å; F396-L418 HydrophobicContact CZ-CD1 4.3Å; Y402-L418 WeakPolarHBondContact O-CG 3.35Å; Y402-L418 PolarHBondContact O-N 3Å; L404-L418 HydrophobicContact CB-CD1 4.34Å; L404-L418 HydrophobicContact CB-CD2 3.98Å; L404-L418 HydrophobicContact CB-CG 4.33Å; L418-N420 VanDerWaalsContact C-N 3.33Å
419	R	96.4	Very high	96.7	Very high	164 Å²	164	57.5 Å²	57.5	62%	0.619	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.9	170.8	-55.1	172.9	-65.9	-178.6	2.2	113	Y402 D417	Y402-R419 HydrophobicContact CD1-CG 3.66Å; Y402-R419 HydrophobicContact CE1-CG 4.21Å; Y402-R419 HydrophobicContact CG-CG 4Å; D417-R419 PolarHBondContact O-N 2.89Å; D417-R419 VanDerWaalsContact O-N 3.13Å; D417-R419 WeakPolarHBondContact OD1-CB 3.17Å; D417-R419 VanDerWaalsContact OD1-CG 3.22Å; D417-R419 WeakPolarHBondContact OD1-CG 3.24Å; D417-R419 IonicContact OD1-CZ 2.7Å; D417-R419 PolarHBondContact OD1-N 3.44Å; D417-R419 IonicContact OD1-NE 3.75Å; D417-R419 PolarHBondContact OD1-NE 3.13Å; D417-R419 IonicContact OD1-NH2 2.65Å; D417-R419 IonicContact OD2-CZ 2.61Å; D417-R419 IonicContact OD2-NE 3.81Å; D417-R419 PolarHBondContact OD2-NE 2.98Å; D417-R419 IonicContact OD2-NH2 3.97Å; D417-R419 PolarHBondContact OD2-NH2 2.99Å
420	N	94.9	Very high	96.5	Very high	74 Å²	74	58.1 Å²	58.1	40%	0.396	29%	0.288	S	S	.	.			trans	-147.1	77.9	176.4	-176.8	17.6	0	0	0	111.8	D417 L418 K422	D417-N420 CarbonylContact O-C 3.48Å; D417-N420 VanDerWaalsContact O-C 3.27Å; D417-N420 PolarHBondContact O-N 2.6Å; L418-N420 VanDerWaalsContact C-N 3.33Å; N420-K422 PolarHBondContact O-N 3.29Å; N420-K422 VanDerWaalsContact O-N 3.07Å
421	T	93.8	Very high	96.6	Very high	45 Å²	45	56.7 Å²	56.7	28%	0.276	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.8	-178.4	56	0	0	0	0	115.2	I385 Y416 Q423	I385-T421 HydrophobicContact CD1-CG2 4.05Å; I385-T421 HydrophobicContact CG1-CG2 3.77Å; Y416-T421 WeakPolarHBondContact CE1-O 3.38Å; T421-Q423 VanDerWaalsContact C-N 3.31Å; T421-Q423 PolarHBondContact O-N 3.27Å
422	K	91.6	Very high	96.5	Very high	192 Å²	192	59.3 Å²	59.3	84%	0.835	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.7	-178.4	-64.8	-174.3	178	-177.3	0	113.9	N420	N420-K422 PolarHBondContact O-N 3.29Å; N420-K422 VanDerWaalsContact O-N 3.07Å
423	Q	92.9	Very high	96.6	Very high	130 Å²	130	62 Å²	62	61%	0.607	30%	0.296	S	S	*	.	S	Bend	trans	-151	145.1	-179.6	66.3	-172.4	28.6	0	0	110.6	Y416 T421	Y416-Q423 WeakPolarHBondContact CE1-O 3.22Å; T421-Q423 VanDerWaalsContact C-N 3.31Å; T421-Q423 PolarHBondContact O-N 3.27Å
424	P	96.5	Very high	96.5	Very high	41 Å²	41	63.3 Å²	63.3	27%	0.266	31%	0.307	S	S	.	.			trans	-66.1	151.3	171.5	27.4	-32.4	0	0	0	110.7	Y415 Y416 V427	Y415-P424 CarbonylContact O-C 3.46Å; Y415-P424 WeakPolarHBondContact O-CA 3.49Å; Y416-P424 HydrophobicContact CD2-CB 4Å; Y416-P424 HydrophobicContact CE1-CB 4.39Å; Y416-P424 HydrophobicContact CE2-CB 3.65Å; Y416-P424 HydrophobicContact CE2-CG 4.42Å; P424-V427 HydrophobicContact CB-CG2 3.86Å; P424-V427 HydrophobicContact CG-CG2 3.39Å
425	I	96.7	Very high	96.6	Very high	81 Å²	81	62.7 Å²	62.7	42%	0.415	30%	0.304	S	S	.	.	S	Bend	trans	-66.8	-44.3	163.7	-54.7	165.6	0	0	0	109	Y415 D417	Y415-I425 HydrophobicContact CD1-CB 3.9Å; Y415-I425 HydrophobicContact CD1-CD1 3.77Å; Y415-I425 HydrophobicContact CD1-CG1 4.41Å; Y415-I425 HydrophobicContact CD1-CG2 4.21Å; Y415-I425 HydrophobicContact CE1-CB 4.38Å; Y415-I425 HydrophobicContact CE1-CD1 3.56Å; Y415-I425 HydrophobicContact CE1-CG2 4.39Å; Y415-I425 PolarHBondContact O-N 2.94Å; D417-I425 HydrophobicContact CB-CD1 3.95Å; D417-I425 HydrophobicContact CB-CG1 4.12Å
426	M	97	Very high	96.6	Very high	43 Å²	43	62.6 Å²	62.6	21%	0.212	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.2	-175.9	-164.2	58.7	66.2	0	0	111.1	Y415 F428 P463	Y415-M426 HydrophobicContact CD1-CB 4.46Å; Y415-M426 PolarHBondContact N-O 3.09Å; Y415-M426 PolarHBondContact O-N 3.36Å; M426-F428 HydrophobicContact CB-CE1 4.3Å; M426-F428 HydrophobicContact CB-CE2 4.15Å; M426-F428 HydrophobicContact CB-CZ 3.91Å; M426-F428 HydrophobicContact CG-CD1 3.83Å; M426-F428 HydrophobicContact CG-CD2 4.4Å; M426-F428 HydrophobicContact CG-CE1 3.44Å; M426-F428 VanDerWaalsContact CG-CE1 3.44Å; M426-F428 HydrophobicContact CG-CE2 4.07Å; M426-F428 HydrophobicContact CG-CG 4.3Å; M426-F428 HydrophobicContact CG-CZ 3.57Å; M426-P463 HydrophobicContact SD-CB 3.81Å
427	V	97.1	Very high	96.6	Very high	44 Å²	44	63.7 Å²	63.7	27%	0.267	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	100.3	171.2	-176.5	0	0	0	0	107.8	C412 P424 K429	C412-V427 HydrophobicContact CB-CG1 3.65Å; P424-V427 HydrophobicContact CB-CG2 3.86Å; P424-V427 HydrophobicContact CG-CG2 3.39Å; V427-K429 PolarHBondContact O-N 3.32Å
428	F	97.6	Very high	96.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.8	-177.5	-58.2	-74.5	0	0	0	110.2	C412 V413 Y415 M426 I446 W458 N459 K462	C412-F428 VanDerWaalsContact CA-O 3.28Å; C412-F428 WeakPolarHBondContact CA-O 3.49Å; C412-F428 WeakPolarHBondContact CB-O 3.35Å; V413-F428 HydrophobicContact CB-CB 4.17Å; V413-F428 HydrophobicContact CB-CD2 3.92Å; V413-F428 HydrophobicContact CG1-CD2 3.95Å; V413-F428 PolarHBondContact N-O 2.93Å; V413-F428 WeakPolarHBondContact O-CD2 3.46Å; V413-F428 PolarHBondContact O-N 3.34Å; Y415-F428 HydrophobicContact CG-CE2 4.49Å; M426-F428 HydrophobicContact CB-CE1 4.3Å; M426-F428 HydrophobicContact CB-CE2 4.15Å; M426-F428 HydrophobicContact CB-CZ 3.91Å; M426-F428 HydrophobicContact CG-CD1 3.83Å; M426-F428 HydrophobicContact CG-CD2 4.4Å; M426-F428 HydrophobicContact CG-CE1 3.44Å; M426-F428 VanDerWaalsContact CG-CE1 3.44Å; M426-F428 HydrophobicContact CG-CE2 4.07Å; M426-F428 HydrophobicContact CG-CG 4.3Å; M426-F428 HydrophobicContact CG-CZ 3.57Å; F428-I446 HydrophobicContact CE2-CD1 3.88Å; F428-I446 HydrophobicContact CZ-CD1 4.31Å; F428-W458 HydrophobicContact CB-CD2 3.77Å; F428-W458 HydrophobicContact CB-CE3 3.6Å; F428-W458 HydrophobicContact CB-CG 4.36Å; F428-W458 HydrophobicContact CB-CH2 4.17Å; F428-W458 HydrophobicContact CB-CZ2 4.33Å; F428-W458 HydrophobicContact CB-CZ3 3.81Å; F428-W458 HydrophobicContact CD1-CB 3.91Å; F428-W458 HydrophobicContact CD1-CD2 4.13Å; F428-W458 AromaticContact CD1-CE3 3.85Å; F428-W458 HydrophobicContact CD1-CE3 3.85Å; F428-W458 HydrophobicContact CD1-CG 4.18Å; F428-W458 HydrophobicContact CE1-CB 4.01Å; F428-W458 HydrophobicContact CG-CB 4.32Å; F428-W458 HydrophobicContact CG-CD2 4.07Å; F428-W458 HydrophobicContact CG-CE3 4.04Å; F428-W458 HydrophobicContact CG-CG 4.2Å; F428-N459 WeakPolarHBondContact CE1-O 3.44Å; F428-K462 WeakPolarHBondContact CE1-O 3.5Å
429	K	96.4	Very high	96.7	Very high	143 Å²	143	63.1 Å²	63.1	62%	0.622	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.6	-176.8	-64	-173	177.6	-177.5	0	111	V427 W458	V427-K429 PolarHBondContact O-N 3.32Å; K429-W458 WeakPolarHBondContact O-CH2 3.48Å; K429-W458 WeakPolarHBondContact O-CZ3 3.29Å
430	G	95.4	Very high	96.7	Very high	40 Å²	40	56.4 Å²	56.4	41%	0.412	28%	0.28	S	S	.	.			trans	158.1	-12	171.5	0	0	0	0	0	116.8	K456	G430-K456 WeakPolarHBondContact O-CE 3.43Å
431	H	97.9	Very high	96.7	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.065	27%	0.267	C	S	.	.			trans	-76.1	156.1	166.3	-74	-70.2	0	0	0	110.8	V435 S448 S450 D452 Q454 K456 W458	H431-V435 HydrophobicContact CB-CG2 4.4Å; H431-S448 PolarHBondContact NE2-OG 3.22Å; H431-S450 VanDerWaalsContact ND1-CB 3.33Å; H431-S450 WeakPolarHBondContact ND1-CB 3.2Å; H431-D452 IonicContact CE1-OD1 2.91Å; H431-D452 IonicContact CG-OD1 3.45Å; H431-D452 IonicContact ND1-OD1 3.85Å; H431-D452 PolarHBondContact ND1-OD1 2.66Å; H431-D452 IonicContact ND1-OD2 2.67Å; H431-Q454 PolarHBondContact CE1-O 2.81Å; H431-K456 WeakPolarHBondContact ND1-CE 3.48Å; H431-W458 AromaticContact CD2-CZ2 3.98Å
432	R	97.7	Very high	96.7	Very high	136 Å²	136	53.6 Å²	53.6	51%	0.513	27%	0.267	S	S	.	.	S	Bend	trans	-102.8	-2.2	-179.7	-63	178.6	-49.9	-52.6	-8.3	114	H411 D452	H411-R432 PolarHBondContact CD2-O 3.36Å; H411-R432 VanDerWaalsContact CD2-O 3.28Å; H411-R432 PolarHBondContact NE2-O 2.97Å; R432-D452 HydrophobicContact CB-CB 4.17Å; R432-D452 IonicContact CZ-OD2 2.72Å; R432-D452 VanDerWaalsContact CZ-OD2 3.28Å; R432-D452 PolarHBondContact N-OD2 3.5Å; R432-D452 IonicContact NH1-OD2 2.72Å; R432-D452 PolarHBondContact NH1-OD2 3.16Å; R432-D452 PolarHBondContact NH2-O 3.26Å; R432-D452 IonicContact NH2-OD2 2.67Å
433	K	98.3	Very high	96.8	Very high	70 Å²	70	45.1 Å²	45.1	30%	0.304	23%	0.234	S	C	.	.	S	Bend	trans	-146.5	178.4	178.8	-76	169.1	164.5	-177.8	0	109.6	H411 S450 T451 D452 E475	H411-K433 VanDerWaalsContact CA-O 3.3Å; H411-K433 WeakPolarHBondContact CA-O 3.36Å; H411-K433 VanDerWaalsContact CB-O 3.24Å; H411-K433 WeakPolarHBondContact CB-O 3.17Å; H411-K433 VanDerWaalsContact CG-C 3.43Å; H411-K433 VanDerWaalsContact ND1-C 3.29Å; K433-S450 PolarHBondContact O-OG 2.84Å; K433-T451 WeakPolarHBondContact CD-O 3.24Å; K433-T451 WeakPolarHBondContact CE-O 3.3Å; K433-T451 PolarHBondContact NZ-O 3.16Å; K433-D452 HydrophobicContact CB-CB 4.17Å; K433-D452 HydrophobicContact CD-CB 4.18Å; K433-D452 HydrophobicContact CG-CB 4.39Å; K433-E475 PolarHBondContact NZ-O 3.23Å; K433-E475 IonicContact NZ-OE2 2.71Å; K433-E475 PolarHBondContact NZ-OE2 3.19Å
434	A	97.6	Very high	96.8	Very high	27 Å²	27	44.4 Å²	44.4	22%	0.223	23%	0.231	C	C	.	.			trans	-53.2	138.7	179.3	0	0	0	0	0	113.1	A409 H411 S436 S450	A409-A434 HydrophobicContact CB-CB 4.29Å; H411-A434 PolarHBondContact ND1-N 3.44Å; A434-S436 PolarHBondContact O-N 3.14Å; A434-S450 WeakPolarHBondContact O-CA 3.25Å; A434-S450 VanDerWaalsContact O-CB 3.27Å; A434-S450 WeakPolarHBondContact O-CB 3.48Å; A434-S450 PolarHBondContact O-OG 3.27Å
435	V	98.6	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.			trans	-85.6	96.4	179	-174.5	0	0	0	0	110	C392 C408 V413 H431 Y437 A449	C392-V435 WeakPolarHBondContact CB-O 3.38Å; C408-V435 PolarHBondContact O-N 2.79Å; C408-V435 VanDerWaalsContact O-N 3.16Å; V413-V435 HydrophobicContact CG2-CG1 3.81Å; V413-V435 HydrophobicContact CG2-CG2 4.41Å; H431-V435 HydrophobicContact CB-CG2 4.4Å; V435-Y437 WeakPolarHBondContact CG1-O 3.46Å; V435-A449 CarbonylContact C-O 3.54Å; V435-A449 WeakPolarHBondContact CG1-O 3.29Å
436	S	98.3	Very high	96.9	Very high	2 Å²	2	40 Å²	40	1%	0.014	21%	0.205	C	C	.	.			trans	-66.6	-35.3	-175.8	52.4	0	0	0	0	113.6	A434 A449	A434-S436 PolarHBondContact O-N 3.14Å; S436-A449 PolarHBondContact N-O 3.25Å; S436-A449 PolarHBondContact OG-O 3.31Å
437	Y	98.8	Very high	97	Very high	39 Å²	39	38 Å²	38	15%	0.153	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.1	177.5	-64.3	-88.8	0	0	0	112.4	C393 V435 S448 A449 F478 G480 L481	C393-Y437 WeakPolarHBondContact SG-CA 3.45Å; V435-Y437 WeakPolarHBondContact CG1-O 3.46Å; Y437-S448 CarbonylContact O-C 3.55Å; Y437-S448 WeakPolarHBondContact O-CA 3.39Å; Y437-S448 WeakPolarHBondContact O-CB 3.23Å; Y437-A449 HydrophobicContact CD2-CB 4.39Å; Y437-A449 PolarHBondContact N-O 3.21Å; Y437-A449 VanDerWaalsContact N-O 3.17Å; Y437-A449 PolarHBondContact O-N 2.9Å; Y437-F478 HydrophobicContact CE2-CB 4.14Å; Y437-F478 AromaticContact CE2-CD1 3.9Å; Y437-F478 HydrophobicContact CE2-CD1 3.9Å; Y437-F478 HydrophobicContact CE2-CG 4.49Å; Y437-G480 VanDerWaalsContact CE2-N 3.28Å; Y437-G480 PolarHBondContact OH-N 3.38Å; Y437-L481 HydrophobicContact CD1-CB 4.46Å; Y437-L481 HydrophobicContact CD2-CB 4.26Å; Y437-L481 HydrophobicContact CG-CB 3.88Å
438	A	98.4	Very high	97	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	127.6	165.9	0	0	0	0	0	108.2	C393 V413 V447	C393-A438 PolarHBondContact SG-N 3.26Å; V413-A438 HydrophobicContact CG1-CB 4.47Å; V413-A438 HydrophobicContact CG2-CB 4.45Å; A438-V447 WeakPolarHBondContact CA-O 3.27Å
439	K	98.2	Very high	97.1	Very high	36 Å²	36	35.9 Å²	35.9	16%	0.157	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.2	174.9	-62.9	-78.8	-162.3	169.3	0	107.6	E261 K395 V447 L481	E261-K439 IonicContact OE1-NZ 3.22Å; E261-K439 PolarHBondContact OE1-NZ 3.16Å; K395-K439 HydrophobicContact CD-CD 4.04Å; K439-V447 HydrophobicContact CB-CG1 4.29Å; K439-V447 PolarHBondContact N-O 3.16Å; K439-V447 WeakPolarHBondContact O-CG1 3.38Å; K439-V447 PolarHBondContact O-N 3.47Å; K439-V447 VanDerWaalsContact O-O 3.1Å; K439-L481 WeakPolarHBondContact CE-O 3.49Å; K439-L481 HydrophobicContact CG-CD2 4.39Å; K439-L481 HydrophobicContact CG-CG 4.39Å; K439-L481 WeakPolarHBondContact CG-O 3.48Å
440	F	97.3	Very high	97.2	Very high	23 Å²	23	29 Å²	29	10%	0.101	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.9	170.6	-73.8	-94.5	0	0	0	109.7	K395 F396 P398 A405 Y415 S442 I446	K395-F440 HydrophobicContact CB-CD2 4.31Å; K395-F440 HydrophobicContact CB-CE2 4.38Å; K395-F440 HydrophobicContact CG-CD2 4.1Å; F396-F440 WeakPolarHBondContact O-CD2 3.34Å; F396-F440 WeakPolarHBondContact O-CE2 3.38Å; P398-F440 HydrophobicContact CG-CB 4.06Å; A405-F440 HydrophobicContact CB-CE2 3.74Å; A405-F440 HydrophobicContact CB-CZ 3.7Å; Y415-F440 HydrophobicContact CD2-CZ 4.23Å; Y415-F440 HydrophobicContact CE2-CE1 4.05Å; Y415-F440 AromaticContact CE2-CZ 3.84Å; Y415-F440 HydrophobicContact CE2-CZ 3.84Å; F440-S442 WeakPolarHBondContact CD1-O 3.4Å; F440-I446 HydrophobicContact CD1-CD1 4.43Å; F440-I446 HydrophobicContact CD1-CG1 3.66Å; F440-I446 HydrophobicContact CE1-CD1 3.78Å; F440-I446 HydrophobicContact CE1-CG1 3.52Å; F440-I446 HydrophobicContact CG-CG1 4.37Å; F440-I446 HydrophobicContact CZ-CD1 4.07Å; F440-I446 HydrophobicContact CZ-CG1 4.11Å
441	V	95.3	Very high	97.3	Very high	21 Å²	21	28.1 Å²	28.1	13%	0.127	14%	0.139	C	C	.	.	S	Bend	trans	-90.7	-36.7	169.3	-174.2	0	0	0	0	109.3	E445 V447 L457 G485 K502	V441-E445 HydrophobicContact CB-CB 3.93Å; V441-E445 PolarHBondContact N-O 2.64Å; V441-V447 HydrophobicContact CG2-CB 3.7Å; V441-V447 HydrophobicContact CG2-CG1 3.59Å; V441-L457 HydrophobicContact CG2-CD1 3.91Å; V441-G485 VanDerWaalsContact CG1-O 3.29Å; V441-G485 WeakPolarHBondContact CG1-O 3.32Å; V441-K502 HydrophobicContact CG1-CD 3.92Å
442	S	93.5	Very high	97.3	Very high	39 Å²	39	27.5 Å²	27.5	27%	0.273	14%	0.136	S	C	.	.	S	Bend	trans	-151.5	-176.4	172.5	67.7	0	0	0	0	109	F440 E444 E445	F440-S442 WeakPolarHBondContact CD1-O 3.4Å; S442-E444 PolarHBondContact O-N 3.17Å; S442-E444 PolarHBondContact OG-N 3.13Å; S442-E445 PolarHBondContact N-O 3.45Å; S442-E445 WeakPolarHBondContact OG-CB 3.33Å; S442-E445 PolarHBondContact OG-N 2.89Å; S442-E445 VanDerWaalsContact OG-N 3.16Å; S442-E445 PolarHBondContact OG-OE2 2.74Å
443	G	92.4	Very high	97.3	Very high	15 Å²	15	22.2 Å²	22.2	16%	0.155	12%	0.12	C	C	.	.	S	Bend	trans	-59.7	-27.5	171.1	0	0	0	0	0	113.8	S399	S399-G443 VanDerWaalsContact OG-CA 3.26Å; S399-G443 WeakPolarHBondContact OG-CA 3.49Å
444	E	93.8	Very high	97.3	Very high	114 Å²	114	20 Å²	20	53%	0.533	11%	0.111	S	C	.	.	S	Bend	trans	-102.2	-13.7	-174.7	-71.4	-59.6	135.7	0	0	114	S442 N459 V460	S442-E444 PolarHBondContact O-N 3.17Å; S442-E444 PolarHBondContact OG-N 3.13Å; E444-N459 CarbonylContact O-C 3.5Å; E444-N459 VanDerWaalsContact O-CA 3.26Å; E444-N459 WeakPolarHBondContact O-CA 3.46Å; E444-N459 PolarHBondContact O-ND2 3.46Å; E444-N459 PolarHBondContact OE2-ND2 2.9Å; E444-V460 PolarHBondContact O-N 2.83Å
445	E	96.9	Very high	97.3	Very high	30 Å²	30	18.8 Å²	18.8	14%	0.14	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.5	-172.6	-67.8	178.9	116.9	0	0	112.1	V441 S442 L457 W458 K502	V441-E445 HydrophobicContact CB-CB 3.93Å; V441-E445 PolarHBondContact N-O 2.64Å; S442-E445 PolarHBondContact N-O 3.45Å; S442-E445 WeakPolarHBondContact OG-CB 3.33Å; S442-E445 PolarHBondContact OG-N 2.89Å; S442-E445 VanDerWaalsContact OG-N 3.16Å; S442-E445 PolarHBondContact OG-OE2 2.74Å; E445-L457 HydrophobicContact CB-CD1 4.27Å; E445-W458 WeakPolarHBondContact CA-O 3.08Å; E445-K502 IonicContact OE1-NZ 3.85Å; E445-K502 WeakPolarHBondContact OE2-CE 3.14Å; E445-K502 IonicContact OE2-NZ 3.3Å; E445-K502 PolarHBondContact OE2-NZ 3.25Å
446	I	98.4	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.5	175.4	-62.6	166.5	0	0	0	108.3	A405 Y415 F428 F440 W458 V460	A405-I446 HydrophobicContact CB-CD1 4.07Å; Y415-I446 HydrophobicContact CD2-CD1 4.2Å; F428-I446 HydrophobicContact CE2-CD1 3.88Å; F428-I446 HydrophobicContact CZ-CD1 4.31Å; F440-I446 HydrophobicContact CD1-CD1 4.43Å; F440-I446 HydrophobicContact CD1-CG1 3.66Å; F440-I446 HydrophobicContact CE1-CD1 3.78Å; F440-I446 HydrophobicContact CE1-CG1 3.52Å; F440-I446 HydrophobicContact CG-CG1 4.37Å; F440-I446 HydrophobicContact CZ-CD1 4.07Å; F440-I446 HydrophobicContact CZ-CG1 4.11Å; I446-W458 HydrophobicContact CB-CB 4.48Å; I446-W458 PolarHBondContact N-O 3.19Å; I446-W458 PolarHBondContact O-N 3.41Å; I446-V460 HydrophobicContact CD1-CG2 4.19Å; I446-V460 HydrophobicContact CG1-CG2 4.47Å
447	V	98.6	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136	166.1	61.4	0	0	0	0	110	A438 K439 V441 L455 K456 L481 I488	A438-V447 WeakPolarHBondContact CA-O 3.27Å; K439-V447 HydrophobicContact CB-CG1 4.29Å; K439-V447 PolarHBondContact N-O 3.16Å; K439-V447 WeakPolarHBondContact O-CG1 3.38Å; K439-V447 PolarHBondContact O-N 3.47Å; K439-V447 VanDerWaalsContact O-O 3.1Å; V441-V447 HydrophobicContact CG2-CB 3.7Å; V441-V447 HydrophobicContact CG2-CG1 3.59Å; V447-L455 HydrophobicContact CG2-CB 4.49Å; V447-K456 CarbonylContact C-O 3.55Å; V447-K456 WeakPolarHBondContact CA-O 3.2Å; V447-L481 HydrophobicContact CG1-CD2 4.23Å; V447-L481 HydrophobicContact CG2-CD1 4.36Å; V447-L481 HydrophobicContact CG2-CD2 4.43Å; V447-I488 HydrophobicContact CB-CD1 4.35Å; V447-I488 HydrophobicContact CG2-CD1 3.98Å; V447-I488 HydrophobicContact CG2-CG1 4.38Å; V447-I488 HydrophobicContact CG2-CG2 3.96Å
448	S	98.6	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.7	174.7	62.6	0	0	0	0	113	H431 Y437 L455 K456 W458	H431-S448 PolarHBondContact NE2-OG 3.22Å; Y437-S448 CarbonylContact O-C 3.55Å; Y437-S448 WeakPolarHBondContact O-CA 3.39Å; Y437-S448 WeakPolarHBondContact O-CB 3.23Å; S448-L455 CarbonylContact O-C 3.46Å; S448-L455 WeakPolarHBondContact O-CA 3.44Å; S448-K456 PolarHBondContact N-O 2.95Å; S448-K456 PolarHBondContact O-N 2.84Å; S448-W458 PolarHBondContact OG-NE1 2.76Å
449	A	98.8	Very high	97.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.5	170.1	0	0	0	0	0	109.5	V435 S436 Y437 L455 L481	V435-A449 CarbonylContact C-O 3.54Å; V435-A449 WeakPolarHBondContact CG1-O 3.29Å; S436-A449 PolarHBondContact N-O 3.25Å; S436-A449 PolarHBondContact OG-O 3.31Å; Y437-A449 HydrophobicContact CD2-CB 4.39Å; Y437-A449 PolarHBondContact N-O 3.21Å; Y437-A449 VanDerWaalsContact N-O 3.17Å; Y437-A449 PolarHBondContact O-N 2.9Å; A449-L455 HydrophobicContact CB-CD2 3.41Å; A449-L455 VanDerWaalsContact CB-CD2 3.41Å; A449-L481 HydrophobicContact CB-CB 4.29Å; A449-L481 HydrophobicContact CB-CD1 4.47Å; A449-L481 HydrophobicContact CB-CD2 4.01Å; A449-L481 HydrophobicContact CB-CG 4.49Å
450	S	98.5	Very high	97	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.1	173.5	143.2	0	0	0	0	109	H431 K433 A434 D452 Q454 N474	H431-S450 VanDerWaalsContact ND1-CB 3.33Å; H431-S450 WeakPolarHBondContact ND1-CB 3.2Å; K433-S450 PolarHBondContact O-OG 2.84Å; A434-S450 WeakPolarHBondContact O-CA 3.25Å; A434-S450 VanDerWaalsContact O-CB 3.27Å; A434-S450 WeakPolarHBondContact O-CB 3.48Å; A434-S450 PolarHBondContact O-OG 3.27Å; S450-D452 WeakPolarHBondContact CB-OD1 2.85Å; S450-D452 PolarHBondContact O-N 2.69Å; S450-D452 VanDerWaalsContact OG-CG 3.23Å; S450-D452 PolarHBondContact OG-N 3.3Å; S450-D452 PolarHBondContact OG-OD1 2.82Å; S450-Q454 PolarHBondContact N-O 3.45Å; S450-N474 PolarHBondContact O-ND2 3.35Å
451	T	97.9	Very high	96.7	Very high	20 Å²	20	19.4 Å²	19.4	12%	0.123	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	28.4	176.4	52.8	0	0	0	0	113	K433 N474 E475	K433-T451 WeakPolarHBondContact CD-O 3.24Å; K433-T451 WeakPolarHBondContact CE-O 3.3Å; K433-T451 PolarHBondContact NZ-O 3.16Å; T451-N474 CarbonylContact C-O 3.58Å; T451-N474 WeakPolarHBondContact CA-O 3.37Å; T451-N474 VanDerWaalsContact O-O 3.09Å; T451-E475 CarbonylContact O-C 3.59Å; T451-E475 VanDerWaalsContact O-CA 3.25Å; T451-E475 WeakPolarHBondContact O-CA 3.17Å
452	D	97.8	Very high	96.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	27.7	176.7	78.7	-39.1	0	0	0	112.9	H431 R432 K433 S450 Q454 N474	H431-D452 IonicContact CE1-OD1 2.91Å; H431-D452 IonicContact CG-OD1 3.45Å; H431-D452 IonicContact ND1-OD1 3.85Å; H431-D452 PolarHBondContact ND1-OD1 2.66Å; H431-D452 IonicContact ND1-OD2 2.67Å; R432-D452 HydrophobicContact CB-CB 4.17Å; R432-D452 IonicContact CZ-OD2 2.72Å; R432-D452 VanDerWaalsContact CZ-OD2 3.28Å; R432-D452 PolarHBondContact N-OD2 3.5Å; R432-D452 IonicContact NH1-OD2 2.72Å; R432-D452 PolarHBondContact NH1-OD2 3.16Å; R432-D452 PolarHBondContact NH2-O 3.26Å; R432-D452 IonicContact NH2-OD2 2.67Å; K433-D452 HydrophobicContact CB-CB 4.17Å; K433-D452 HydrophobicContact CD-CB 4.18Å; K433-D452 HydrophobicContact CG-CB 4.39Å; S450-D452 WeakPolarHBondContact CB-OD1 2.85Å; S450-D452 PolarHBondContact O-N 2.69Å; S450-D452 VanDerWaalsContact OG-CG 3.23Å; S450-D452 PolarHBondContact OG-N 3.3Å; S450-D452 PolarHBondContact OG-OD1 2.82Å; D452-Q454 PolarHBondContact O-N 2.96Å; D452-N474 PolarHBondContact N-O 2.78Å
453	S	97.9	Very high	96	Very high	25 Å²	25	24.6 Å²	24.6	18%	0.175	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	40.5	-175.1	-58.5	0	0	0	0	114.3	N474 E475	S453-N474 PolarHBondContact N-O 3.19Å; S453-N474 PolarHBondContact OG-N 3.27Å; S453-N474 PolarHBondContact OG-O 3Å; S453-E475 VanDerWaalsContact CB-OE1 3.29Å; S453-E475 WeakPolarHBondContact CB-OE1 3.26Å; S453-E475 PolarHBondContact N-OE1 2.89Å; S453-E475 PolarHBondContact OG-OE1 2.67Å
454	Q	97.8	Very high	95.7	Very high	24 Å²	24	32.7 Å²	32.7	11%	0.112	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.8	176.9	-69.7	177	31.3	0	0	111.4	H431 S450 D452 F469 K470 H472	H431-Q454 PolarHBondContact CE1-O 2.81Å; S450-Q454 PolarHBondContact N-O 3.45Å; D452-Q454 PolarHBondContact O-N 2.96Å; Q454-F469 WeakPolarHBondContact CA-O 3.33Å; Q454-K470 HydrophobicContact CG-CG 4.17Å; Q454-H472 PolarHBondContact N-NE2 2.92Å
455	L	98.6	Very high	95.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	151.8	154.3	-48.5	-175	0	0	0	108.7	V447 S448 A449 S468 F469 L481 I488 C490 Y500	V447-L455 HydrophobicContact CG2-CB 4.49Å; S448-L455 CarbonylContact O-C 3.46Å; S448-L455 WeakPolarHBondContact O-CA 3.44Å; A449-L455 HydrophobicContact CB-CD2 3.41Å; A449-L455 VanDerWaalsContact CB-CD2 3.41Å; L455-S468 CarbonylContact O-C 3.6Å; L455-S468 VanDerWaalsContact O-CA 3.32Å; L455-S468 WeakPolarHBondContact O-CA 3.44Å; L455-F469 HydrophobicContact CB-CB 4.1Å; L455-F469 HydrophobicContact CB-CD2 3.76Å; L455-F469 HydrophobicContact CB-CG 4.35Å; L455-F469 PolarHBondContact N-O 2.84Å; L455-F469 PolarHBondContact O-N 2.87Å; L455-L481 HydrophobicContact CD1-CD1 3.92Å; L455-L481 HydrophobicContact CD2-CD1 4.03Å; L455-I488 HydrophobicContact CD1-CG2 3.52Å; L455-C490 HydrophobicContact CD1-CB 4.09Å; L455-C490 HydrophobicContact CD2-CB 4.15Å; L455-Y500 HydrophobicContact CD1-CD2 4.01Å; L455-Y500 HydrophobicContact CD1-CE2 4.16Å
456	K	98.4	Very high	95.5	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.1	174	-69	-179.7	-170	-75.4	0	111.5	G430 H431 V447 S448 W458 C465 R467 S468	G430-K456 WeakPolarHBondContact O-CE 3.43Å; H431-K456 WeakPolarHBondContact ND1-CE 3.48Å; V447-K456 CarbonylContact C-O 3.55Å; V447-K456 WeakPolarHBondContact CA-O 3.2Å; S448-K456 PolarHBondContact N-O 2.95Å; S448-K456 PolarHBondContact O-N 2.84Å; K456-W458 HydrophobicContact CB-CD2 4.5Å; K456-W458 HydrophobicContact CB-CH2 4.39Å; K456-W458 HydrophobicContact CB-CZ2 3.58Å; K456-W458 HydrophobicContact CD-CH2 3.76Å; K456-W458 HydrophobicContact CD-CZ2 3.56Å; K456-W458 HydrophobicContact CG-CZ2 4.17Å; K456-W458 PolarHBondContact O-NE1 3.39Å; K456-C465 HydrophobicContact CB-CB 4.28Å; K456-C465 HydrophobicContact CD-CB 4.4Å; K456-R467 WeakPolarHBondContact CA-O 2.99Å; K456-S468 PolarHBondContact NZ-OG 2.89Å
457	L	98.3	Very high	95.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.9	170	-170.7	68.5	0	0	0	109	V441 E445 C465 L466 R467 F469 K502	V441-L457 HydrophobicContact CG2-CD1 3.91Å; E445-L457 HydrophobicContact CB-CD1 4.27Å; L457-C465 CarbonylContact O-C 3.52Å; L457-C465 VanDerWaalsContact O-CA 3.3Å; L457-C465 WeakPolarHBondContact O-CA 3.33Å; L457-C465 WeakPolarHBondContact O-CB 3.32Å; L457-L466 HydrophobicContact CB-CB 4.41Å; L457-L466 HydrophobicContact CD2-CB 4.27Å; L457-L466 HydrophobicContact CD2-CD1 4.02Å; L457-L466 HydrophobicContact CG-CB 4.38Å; L457-L466 HydrophobicContact CG-CD1 4.2Å; L457-L466 PolarHBondContact O-N 2.93Å; L457-R467 HydrophobicContact CB-CB 4.23Å; L457-R467 PolarHBondContact N-O 3.46Å; L457-F469 HydrophobicContact CB-CE2 3.85Å; L457-F469 HydrophobicContact CB-CZ 4.12Å; L457-K502 HydrophobicContact CD2-CB 4.4Å
458	W	98.1	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.4	178.5	-42.6	90.2	0	0	0	109.1	F428 K429 H431 E445 I446 S448 K456 C465	F428-W458 HydrophobicContact CB-CD2 3.77Å; F428-W458 HydrophobicContact CB-CE3 3.6Å; F428-W458 HydrophobicContact CB-CG 4.36Å; F428-W458 HydrophobicContact CB-CH2 4.17Å; F428-W458 HydrophobicContact CB-CZ2 4.33Å; F428-W458 HydrophobicContact CB-CZ3 3.81Å; F428-W458 HydrophobicContact CD1-CB 3.91Å; F428-W458 HydrophobicContact CD1-CD2 4.13Å; F428-W458 AromaticContact CD1-CE3 3.85Å; F428-W458 HydrophobicContact CD1-CE3 3.85Å; F428-W458 HydrophobicContact CD1-CG 4.18Å; F428-W458 HydrophobicContact CE1-CB 4.01Å; F428-W458 HydrophobicContact CG-CB 4.32Å; F428-W458 HydrophobicContact CG-CD2 4.07Å; F428-W458 HydrophobicContact CG-CE3 4.04Å; F428-W458 HydrophobicContact CG-CG 4.2Å; K429-W458 WeakPolarHBondContact O-CH2 3.48Å; K429-W458 WeakPolarHBondContact O-CZ3 3.29Å; H431-W458 AromaticContact CD2-CZ2 3.98Å; E445-W458 WeakPolarHBondContact CA-O 3.08Å; I446-W458 HydrophobicContact CB-CB 4.48Å; I446-W458 PolarHBondContact N-O 3.19Å; I446-W458 PolarHBondContact O-N 3.41Å; S448-W458 PolarHBondContact OG-NE1 2.76Å; K456-W458 HydrophobicContact CB-CD2 4.5Å; K456-W458 HydrophobicContact CB-CH2 4.39Å; K456-W458 HydrophobicContact CB-CZ2 3.58Å; K456-W458 HydrophobicContact CD-CH2 3.76Å; K456-W458 HydrophobicContact CD-CZ2 3.56Å; K456-W458 HydrophobicContact CG-CZ2 4.17Å; K456-W458 PolarHBondContact O-NE1 3.39Å; W458-C465 HydrophobicContact CD2-CB 4.11Å; W458-C465 VanDerWaalsContact CE3-CA 3.41Å; W458-C465 HydrophobicContact CE3-CB 3.58Å; W458-C465 HydrophobicContact CH2-CB 4Å; W458-C465 HydrophobicContact CZ2-CB 4.46Å; W458-C465 HydrophobicContact CZ3-CB 3.53Å
459	N	96.3	Very high	95.1	Very high	28 Å²	28	35.7 Å²	35.7	15%	0.15	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.1	165.1	164.2	-112.3	0	0	0	109.3	F428 E444 G461 K462 L466	F428-N459 WeakPolarHBondContact CE1-O 3.44Å; E444-N459 CarbonylContact O-C 3.5Å; E444-N459 VanDerWaalsContact O-CA 3.26Å; E444-N459 WeakPolarHBondContact O-CA 3.46Å; E444-N459 PolarHBondContact O-ND2 3.46Å; E444-N459 PolarHBondContact OE2-ND2 2.9Å; N459-G461 PolarHBondContact O-N 3.39Å; N459-G461 VanDerWaalsContact O-N 3.13Å; N459-G461 PolarHBondContact OD1-N 3.07Å; N459-K462 HydrophobicContact CB-CB 4.39Å; N459-K462 HydrophobicContact CB-CD 4.35Å; N459-K462 PolarHBondContact O-N 3.24Å; N459-K462 VanDerWaalsContact O-O 3.1Å; N459-L466 HydrophobicContact CB-CD1 3.98Å; N459-L466 HydrophobicContact CB-CD2 4.28Å; N459-L466 HydrophobicContact CB-CG 4.24Å
460	V	94.4	Very high	95	Very high	20 Å²	20	41.6 Å²	41.6	12%	0.121	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.6	-177	168.9	0	0	0	0	112.8	Y415 E444 I446	Y415-V460 HydrophobicContact CD1-CG1 4.13Å; Y415-V460 HydrophobicContact CE1-CB 4.46Å; Y415-V460 HydrophobicContact CE1-CG1 3.36Å; Y415-V460 HydrophobicContact CE1-CG2 4.35Å; E444-V460 PolarHBondContact O-N 2.83Å; I446-V460 HydrophobicContact CD1-CG2 4.19Å; I446-V460 HydrophobicContact CG1-CG2 4.47Å
461	G	91	Very high	94.8	Very high	57 Å²	57	43.7 Å²	43.7	59%	0.588	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	0.9	177.4	0	0	0	0	0	116.5	N459	N459-G461 PolarHBondContact O-N 3.39Å; N459-G461 VanDerWaalsContact O-N 3.13Å; N459-G461 PolarHBondContact OD1-N 3.07Å
462	K	89.9	Confident	94.8	Very high	112 Å²	112	43 Å²	43	49%	0.487	24%	0.235	S	C	.	.			trans	-129.7	126.4	-173.6	-67.2	176.6	-174.1	176.3	0	112.2	F428 N459 Y464 L466	F428-K462 WeakPolarHBondContact CE1-O 3.5Å; N459-K462 HydrophobicContact CB-CB 4.39Å; N459-K462 HydrophobicContact CB-CD 4.35Å; N459-K462 PolarHBondContact O-N 3.24Å; N459-K462 VanDerWaalsContact O-O 3.1Å; K462-Y464 PolarHBondContact O-N 3.25Å; K462-L466 HydrophobicContact CD-CD2 3.98Å
463	P	84.3	Confident	94.8	Very high	57 Å²	57	47 Å²	47	37%	0.37	26%	0.255	S	S	.	.	S	Bend	trans	-73.6	-7.7	-175.8	30.2	-36.5	0	0	0	115	M426	M426-P463 HydrophobicContact SD-CB 3.81Å
464	Y	84.9	Confident	94.8	Very high	184 Å²	184	45.8 Å²	45.8	72%	0.722	25%	0.247	S	C	*	.	S	Bend	trans	-114.7	150.7	-176.8	-51.1	-60.9	0	0	0	110.8	K462	K462-Y464 PolarHBondContact O-N 3.25Å
465	C	93.8	Very high	94.7	Very high	46 Å²	46	48.7 Å²	48.7	31%	0.311	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.6	177.3	57.6	0	0	0	0	111.5	K456 L457 W458	K456-C465 HydrophobicContact CB-CB 4.28Å; K456-C465 HydrophobicContact CD-CB 4.4Å; L457-C465 CarbonylContact O-C 3.52Å; L457-C465 VanDerWaalsContact O-CA 3.3Å; L457-C465 WeakPolarHBondContact O-CA 3.33Å; L457-C465 WeakPolarHBondContact O-CB 3.32Å; W458-C465 HydrophobicContact CD2-CB 4.11Å; W458-C465 VanDerWaalsContact CE3-CA 3.41Å; W458-C465 HydrophobicContact CE3-CB 3.58Å; W458-C465 HydrophobicContact CH2-CB 4Å; W458-C465 HydrophobicContact CZ2-CB 4.46Å; W458-C465 HydrophobicContact CZ3-CB 3.53Å
466	L	92.8	Very high	94.6	Very high	74 Å²	74	56 Å²	56	39%	0.387	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-41.4	171.4	-63.2	-176.8	0	0	0	111.6	L457 N459 K462	L457-L466 HydrophobicContact CB-CB 4.41Å; L457-L466 HydrophobicContact CD2-CB 4.27Å; L457-L466 HydrophobicContact CD2-CD1 4.02Å; L457-L466 HydrophobicContact CG-CB 4.38Å; L457-L466 HydrophobicContact CG-CD1 4.2Å; L457-L466 PolarHBondContact O-N 2.93Å; N459-L466 HydrophobicContact CB-CD1 3.98Å; N459-L466 HydrophobicContact CB-CD2 4.28Å; N459-L466 HydrophobicContact CB-CG 4.24Å; K462-L466 HydrophobicContact CD-CD2 3.98Å
467	R	94.3	Very high	94.5	Very high	58 Å²	58	57.2 Å²	57.2	22%	0.219	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.6	-173.6	-172.1	164.7	-75.8	108.3	2.5	110.6	K456 L457 F469 K502 G503 S505	K456-R467 WeakPolarHBondContact CA-O 2.99Å; L457-R467 HydrophobicContact CB-CB 4.23Å; L457-R467 PolarHBondContact N-O 3.46Å; R467-F469 HydrophobicContact CB-CZ 4.37Å; R467-F469 HydrophobicContact CG-CD1 4.47Å; R467-F469 HydrophobicContact CG-CE1 4.13Å; R467-F469 HydrophobicContact CG-CZ 4.17Å; R467-K502 WeakPolarHBondContact CD-O 3.15Å; R467-K502 PolarHBondContact NH1-O 3.27Å; R467-G503 VanDerWaalsContact CZ-C 3.41Å; R467-G503 PolarHBondContact NE-O 3.46Å; R467-G503 PolarHBondContact NH1-O 3.19Å; R467-G503 PolarHBondContact NH2-O 3.28Å; R467-S505 WeakPolarHBondContact CG-OG 3.31Å
468	S	96.7	Very high	94.4	Very high	30 Å²	30	59.9 Å²	59.9	21%	0.21	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.9	171.9	-62.6	0	0	0	0	109.6	L455 K456	L455-S468 CarbonylContact O-C 3.6Å; L455-S468 VanDerWaalsContact O-CA 3.32Å; L455-S468 WeakPolarHBondContact O-CA 3.44Å; K456-S468 PolarHBondContact NZ-OG 2.89Å
469	F	97.8	Very high	94.4	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.9	-177.5	-44.9	-97.7	0	0	0	110.4	Q454 L455 L457 R467 I488 Y500 L504 S505	Q454-F469 WeakPolarHBondContact CA-O 3.33Å; L455-F469 HydrophobicContact CB-CB 4.1Å; L455-F469 HydrophobicContact CB-CD2 3.76Å; L455-F469 HydrophobicContact CB-CG 4.35Å; L455-F469 PolarHBondContact N-O 2.84Å; L455-F469 PolarHBondContact O-N 2.87Å; L457-F469 HydrophobicContact CB-CE2 3.85Å; L457-F469 HydrophobicContact CB-CZ 4.12Å; R467-F469 HydrophobicContact CB-CZ 4.37Å; R467-F469 HydrophobicContact CG-CD1 4.47Å; R467-F469 HydrophobicContact CG-CE1 4.13Å; R467-F469 HydrophobicContact CG-CZ 4.17Å; F469-I488 HydrophobicContact CE1-CD1 4.29Å; F469-I488 HydrophobicContact CE2-CD1 3.9Å; F469-I488 HydrophobicContact CZ-CD1 3.65Å; F469-Y500 HydrophobicContact CB-CD1 3.78Å; F469-Y500 HydrophobicContact CB-CD2 4.44Å; F469-Y500 HydrophobicContact CB-CE1 3.85Å; F469-Y500 HydrophobicContact CB-CE2 4.49Å; F469-Y500 HydrophobicContact CB-CG 4.09Å; F469-Y500 AromaticContact CD1-CD1 3.95Å; F469-Y500 HydrophobicContact CD1-CD1 3.95Å; F469-Y500 HydrophobicContact CD1-CG 4.07Å; F469-Y500 HydrophobicContact CG-CD1 4.27Å; F469-Y500 HydrophobicContact CG-CG 4.33Å; F469-L504 WeakPolarHBondContact CD1-O 3.45Å; F469-L504 WeakPolarHBondContact CE1-O 3.46Å; F469-S505 WeakPolarHBondContact CA-O 3.46Å
470	K	95.8	Very high	94.5	Very high	124 Å²	124	58.7 Å²	58.7	54%	0.539	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-139.8	158	-173.9	-67.8	179.8	-178.2	175.7	0	111.6	Q454 Y500 S505 T507	Q454-K470 HydrophobicContact CG-CG 4.17Å; K470-Y500 WeakPolarHBondContact O-CE1 3.48Å; K470-Y500 PolarHBondContact O-OH 2.96Å; K470-S505 PolarHBondContact N-O 2.96Å; K470-T507 PolarHBondContact O-OG1 3.08Å
471	G	94.5	Very high	94.7	Very high	44 Å²	44	57.9 Å²	57.9	45%	0.454	30%	0.3	S	S	.	.	S	Bend	trans	128.4	-27.8	172.5	0	0	0	0	0	113.9	Y498 Y500	G471-Y498 WeakPolarHBondContact O-CE1 3.42Å; G471-Y498 VanDerWaalsContact O-CZ 3.31Å; G471-Y498 PolarHBondContact O-OH 2.94Å; G471-Y498 VanDerWaalsContact O-OH 3.09Å; G471-Y500 PolarHBondContact N-OH 3.41Å
472	H	97.2	Very high	95	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.028	27%	0.274	C	S	.	.	S	Bend	trans	-72.3	157.8	161.7	65.8	-83.9	0	0	0	110.4	Q454 Y498 Y500	Q454-H472 PolarHBondContact N-NE2 2.92Å; H472-Y498 HydrophobicContact CB-CD1 3.97Å; H472-Y498 HydrophobicContact CB-CD2 3.77Å; H472-Y498 HydrophobicContact CB-CE1 4.29Å; H472-Y498 HydrophobicContact CB-CE2 4.09Å; H472-Y498 HydrophobicContact CB-CG 3.71Å; H472-Y500 PolarHBondContact N-OH 3.5Å; H472-Y500 AromaticContact ND1-CE2 3.87Å; H472-Y500 AromaticContact ND1-CZ 3.81Å; H472-Y500 PolarHBondContact ND1-OH 3.27Å
473	I	97.9	Very high	95.2	Very high	83 Å²	83	51.3 Å²	51.3	43%	0.426	26%	0.26	S	S	.	.			trans	-107.3	121.6	172.1	-56.9	173.9	0	0	0	107	S492 E493 N494	I473-S492 PolarHBondContact N-OG 2.7Å; I473-S492 WeakPolarHBondContact O-CA 3.33Å; I473-S492 PolarHBondContact O-OG 2.65Å; I473-E493 HydrophobicContact CG2-CB 4.23Å; I473-E493 PolarHBondContact O-N 3.25Å; I473-N494 HydrophobicContact CD1-CB 4.42Å
474	N	97.8	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.			trans	-151	93.2	172.8	178.6	29.5	0	0	0	109.4	S450 T451 D452 S453 N477 V479 E493	S450-N474 PolarHBondContact O-ND2 3.35Å; T451-N474 CarbonylContact C-O 3.58Å; T451-N474 WeakPolarHBondContact CA-O 3.37Å; T451-N474 VanDerWaalsContact O-O 3.09Å; D452-N474 PolarHBondContact N-O 2.78Å; S453-N474 PolarHBondContact N-O 3.19Å; S453-N474 PolarHBondContact OG-N 3.27Å; S453-N474 PolarHBondContact OG-O 3Å; N474-N477 PolarHBondContact OD1-O 2.84Å; N474-V479 HydrophobicContact CB-CG1 4.45Å; N474-V479 HydrophobicContact CB-CG2 4.22Å; N474-E493 WeakPolarHBondContact CA-OE2 3.44Å
475	E	96.6	Very high	95.8	Very high	85 Å²	85	43.2 Å²	43.2	40%	0.397	24%	0.236	S	C	.	.	S	Bend	trans	-110.4	-14.5	-178.6	-70.3	-59.8	134.3	0	0	114.1	K433 T451 S453 E493	K433-E475 PolarHBondContact NZ-O 3.23Å; K433-E475 IonicContact NZ-OE2 2.71Å; K433-E475 PolarHBondContact NZ-OE2 3.19Å; T451-E475 CarbonylContact O-C 3.59Å; T451-E475 VanDerWaalsContact O-CA 3.25Å; T451-E475 WeakPolarHBondContact O-CA 3.17Å; S453-E475 VanDerWaalsContact CB-OE1 3.29Å; S453-E475 WeakPolarHBondContact CB-OE1 3.26Å; S453-E475 PolarHBondContact N-OE1 2.89Å; S453-E475 PolarHBondContact OG-OE1 2.67Å; E475-E493 PolarHBondContact N-OE2 3.02Å
476	K	95.2	Very high	95.7	Very high	155 Å²	155	42.5 Å²	42.5	67%	0.674	23%	0.229	S	C	*	.	S	Bend	trans	-140.1	-42	-171.7	174.7	-175.6	172.6	-172.2	0	115.1	E493	K476-E493 WeakPolarHBondContact CA-OE1 3.41Å; K476-E493 WeakPolarHBondContact CB-OE1 3.41Å; K476-E493 PolarHBondContact N-OE1 2.86Å
477	N	96.8	Very high	95.8	Very high	37 Å²	37	40 Å²	40	20%	0.198	22%	0.215	C	C	.	.	S	Bend	trans	-98	168	-162.6	-64.7	-75.6	0	0	0	114.2	N474 V479 E493 F532	N474-N477 PolarHBondContact OD1-O 2.84Å; N477-V479 HydrophobicContact CB-CG1 4.24Å; N477-E493 HydrophobicContact CB-CG 4.47Å; N477-E493 WeakPolarHBondContact CB-OE1 3.43Å; N477-E493 PolarHBondContact N-OE1 3.45Å; N477-E493 PolarHBondContact ND2-OE1 3.22Å; N477-F532 HydrophobicContact CB-CD1 4.42Å; N477-F532 HydrophobicContact CB-CD2 3.82Å; N477-F532 HydrophobicContact CB-CE1 4.43Å; N477-F532 HydrophobicContact CB-CE2 3.83Å; N477-F532 HydrophobicContact CB-CG 4.14Å; N477-F532 HydrophobicContact CB-CZ 4.15Å
478	F	97.3	Very high	96	Very high	58 Å²	58	37.2 Å²	37.2	25%	0.254	20%	0.204	S	C	.	.			trans	-88.2	105.8	165.2	-77.1	-98.7	0	0	0	107.9	W350 C392 Y437	W350-F478 HydrophobicContact CD2-CZ 4.16Å; W350-F478 HydrophobicContact CE3-CE1 4.36Å; W350-F478 HydrophobicContact CE3-CE2 4.13Å; W350-F478 AromaticContact CE3-CZ 3.96Å; W350-F478 HydrophobicContact CE3-CZ 3.96Å; W350-F478 HydrophobicContact CH2-CD2 4.32Å; W350-F478 AromaticContact CH2-CE2 3.68Å; W350-F478 HydrophobicContact CH2-CE2 3.68Å; W350-F478 HydrophobicContact CH2-CZ 4.2Å; W350-F478 HydrophobicContact CZ2-CE2 4.18Å; W350-F478 HydrophobicContact CZ2-CZ 4.38Å; W350-F478 HydrophobicContact CZ3-CD2 4.05Å; W350-F478 AromaticContact CZ3-CE2 3.67Å; W350-F478 HydrophobicContact CZ3-CE2 3.67Å; W350-F478 AromaticContact CZ3-CZ 3.99Å; W350-F478 HydrophobicContact CZ3-CZ 3.99Å; C392-F478 HydrophobicContact CB-CE1 4.17Å; C392-F478 HydrophobicContact CB-CZ 4.21Å; Y437-F478 HydrophobicContact CE2-CB 4.14Å; Y437-F478 AromaticContact CE2-CD1 3.9Å; Y437-F478 HydrophobicContact CE2-CD1 3.9Å; Y437-F478 HydrophobicContact CE2-CG 4.49Å
479	V	97.8	Very high	96	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.195	C	C	.	.			trans	-101.1	3.5	-170.3	-60.1	0	0	0	0	115.2	N474 N477 G491 E493 F532 V533 S534	N474-V479 HydrophobicContact CB-CG1 4.45Å; N474-V479 HydrophobicContact CB-CG2 4.22Å; N477-V479 HydrophobicContact CB-CG1 4.24Å; V479-G491 WeakPolarHBondContact CG2-O 3.48Å; V479-G491 WeakPolarHBondContact O-CA 3.41Å; V479-G491 PolarHBondContact O-N 3.4Å; V479-E493 HydrophobicContact CG1-CG 4.15Å; V479-F532 HydrophobicContact CG1-CD2 4.5Å; V479-V533 CarbonylContact C-O 3.58Å; V479-V533 WeakPolarHBondContact CA-O 3.48Å; V479-V533 VanDerWaalsContact CB-O 3.3Å; V479-V533 WeakPolarHBondContact CB-O 3.33Å; V479-S534 CarbonylContact C-O 3.58Å
480	G	97.9	Very high	96.1	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	20%	0.195	C	C	.	.			trans	74.9	147	-171.5	0	0	0	0	0	114.5	Y437 C490 G491 S534	Y437-G480 VanDerWaalsContact CE2-N 3.28Å; Y437-G480 PolarHBondContact OH-N 3.38Å; G480-C490 WeakPolarHBondContact O-CA 3.34Å; G480-C490 WeakPolarHBondContact O-CB 3.49Å; G480-G491 PolarHBondContact O-N 2.87Å; G480-S534 PolarHBondContact N-O 2.9Å
481	L	98.7	Very high	96.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	129.2	171.6	177.2	70	0	0	0	109.1	Y437 K439 V447 A449 L455 I488 A489 C490	Y437-L481 HydrophobicContact CD1-CB 4.46Å; Y437-L481 HydrophobicContact CD2-CB 4.26Å; Y437-L481 HydrophobicContact CG-CB 3.88Å; K439-L481 WeakPolarHBondContact CE-O 3.49Å; K439-L481 HydrophobicContact CG-CD2 4.39Å; K439-L481 HydrophobicContact CG-CG 4.39Å; K439-L481 WeakPolarHBondContact CG-O 3.48Å; V447-L481 HydrophobicContact CG1-CD2 4.23Å; V447-L481 HydrophobicContact CG2-CD1 4.36Å; V447-L481 HydrophobicContact CG2-CD2 4.43Å; A449-L481 HydrophobicContact CB-CB 4.29Å; A449-L481 HydrophobicContact CB-CD1 4.47Å; A449-L481 HydrophobicContact CB-CD2 4.01Å; A449-L481 HydrophobicContact CB-CG 4.49Å; L455-L481 HydrophobicContact CD1-CD1 3.92Å; L455-L481 HydrophobicContact CD2-CD1 4.03Å; L481-I488 HydrophobicContact CD1-CG2 3.9Å; L481-A489 WeakPolarHBondContact CA-O 3.1Å; L481-C490 HydrophobicContact CD1-CB 4.19Å
482	A	97.6	Very high	96.4	Very high	6 Å²	6	27.8 Å²	27.8	5%	0.05	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.5	173.5	0	0	0	0	0	111.3	A489 V536 W538	A482-A489 PolarHBondContact N-O 2.82Å; A482-A489 PolarHBondContact O-N 2.87Å; A482-V536 HydrophobicContact CB-CG2 3.94Å; A482-W538 PolarHBondContact O-NE1 3.3Å
483	S	94.8	Very high	96.4	Very high	26 Å²	26	29.7 Å²	29.7	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.9	178.4	-154.4	0	0	0	0	109.6	Y487	S483-Y487 CarbonylContact C-O 3.54Å; S483-Y487 VanDerWaalsContact CA-O 3.3Å; S483-Y487 WeakPolarHBondContact CA-O 3.37Å; S483-Y487 PolarHBondContact OG-O 3.43Å
484	N	92.1	Very high	96.3	Very high	26 Å²	26	28.4 Å²	28.4	14%	0.139	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	123.7	168.2	-176.5	34.6	0	0	0	109.2	D486 Y487 W538 S546	N484-D486 PolarHBondContact O-N 2.65Å; N484-D486 VanDerWaalsContact O-N 3.16Å; N484-Y487 PolarHBondContact N-O 2.92Å; N484-Y487 PolarHBondContact O-N 2.88Å; N484-W538 HydrophobicContact CB-CB 3.8Å; N484-W538 HydrophobicContact CB-CD2 3.55Å; N484-W538 HydrophobicContact CB-CE3 3.97Å; N484-W538 HydrophobicContact CB-CG 3.49Å; N484-W538 VanDerWaalsContact CB-CG 3.49Å; N484-S546 PolarHBondContact ND2-O 3.1Å
485	G	88.3	Confident	96.2	Very high	44 Å²	44	28.6 Å²	28.6	45%	0.454	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	-120.8	-170.2	0	0	0	0	0	111.6	V441	V441-G485 VanDerWaalsContact CG1-O 3.29Å; V441-G485 WeakPolarHBondContact CG1-O 3.32Å
486	D	91.9	Very high	96.2	Very high	32 Å²	32	24.9 Å²	24.9	17%	0.171	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.8	-179.3	-62.7	-40.5	0	0	0	115.2	K231 N484 Y501 K502	K231-D486 HydrophobicContact CD-CB 4.44Å; K231-D486 WeakPolarHBondContact CD-OD2 3.39Å; K231-D486 VanDerWaalsContact CE-OD2 3.31Å; K231-D486 WeakPolarHBondContact CE-OD2 3.13Å; K231-D486 IonicContact NZ-OD2 2.67Å; K231-D486 PolarHBondContact NZ-OD2 3.28Å; N484-D486 PolarHBondContact O-N 2.65Å; N484-D486 VanDerWaalsContact O-N 3.16Å; D486-Y501 HydrophobicContact CB-CD2 3.9Å; D486-Y501 HydrophobicContact CB-CE2 3.66Å; D486-Y501 WeakPolarHBondContact O-CD2 3.47Å; D486-K502 HydrophobicContact CB-CD 4.27Å; D486-K502 HydrophobicContact CB-CG 4.23Å; D486-K502 PolarHBondContact O-N 3.28Å; D486-K502 WeakPolarHBondContact OD1-CD 3.28Å; D486-K502 WeakPolarHBondContact OD1-CE 3.39Å; D486-K502 IonicContact OD1-NZ 3.1Å; D486-K502 PolarHBondContact OD1-NZ 3.42Å
487	Y	95.2	Very high	96.4	Very high	20 Å²	20	17.7 Å²	17.7	8%	0.078	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.7	-178.5	-57.2	-81	0	0	0	112.5	K231 Y235 S483 N484 Y500 Y501 L508 W538	K231-Y487 PolarHBondContact O-OH 2.98Å; Y235-Y487 HydrophobicContact CD2-CD1 4.34Å; Y235-Y487 AromaticContact CD2-CE1 3.87Å; Y235-Y487 HydrophobicContact CD2-CE1 3.87Å; Y235-Y487 HydrophobicContact CD2-CE2 4.5Å; Y235-Y487 AromaticContact CD2-CZ 3.96Å; Y235-Y487 HydrophobicContact CE2-CD1 4.32Å; Y235-Y487 HydrophobicContact CE2-CD2 4.13Å; Y235-Y487 AromaticContact CE2-CE1 3.9Å; Y235-Y487 HydrophobicContact CE2-CE1 3.9Å; Y235-Y487 AromaticContact CE2-CE2 3.71Å; Y235-Y487 HydrophobicContact CE2-CE2 3.71Å; Y235-Y487 HydrophobicContact CE2-CG 4.42Å; Y235-Y487 AromaticContact CE2-CZ 3.58Å; S483-Y487 CarbonylContact C-O 3.54Å; S483-Y487 VanDerWaalsContact CA-O 3.3Å; S483-Y487 WeakPolarHBondContact CA-O 3.37Å; S483-Y487 PolarHBondContact OG-O 3.43Å; N484-Y487 PolarHBondContact N-O 2.92Å; N484-Y487 PolarHBondContact O-N 2.88Å; Y487-Y500 WeakPolarHBondContact CA-O 3.29Å; Y487-Y501 HydrophobicContact CE1-CD2 4.28Å; Y487-L508 HydrophobicContact CD1-CD1 4.36Å; Y487-L508 HydrophobicContact CE1-CD1 4.05Å; Y487-W538 HydrophobicContact CG-CH2 4.5Å
488	I	97.8	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125	-176.2	-62.9	159.9	0	0	0	107.9	V447 L455 F469 L481 Y500 K502	V447-I488 HydrophobicContact CB-CD1 4.35Å; V447-I488 HydrophobicContact CG2-CD1 3.98Å; V447-I488 HydrophobicContact CG2-CG1 4.38Å; V447-I488 HydrophobicContact CG2-CG2 3.96Å; L455-I488 HydrophobicContact CD1-CG2 3.52Å; F469-I488 HydrophobicContact CE1-CD1 4.29Å; F469-I488 HydrophobicContact CE2-CD1 3.9Å; F469-I488 HydrophobicContact CZ-CD1 3.65Å; L481-I488 HydrophobicContact CD1-CG2 3.9Å; I488-Y500 PolarHBondContact N-O 2.73Å; I488-Y500 PolarHBondContact O-N 3.29Å; I488-K502 HydrophobicContact CD1-CB 3.89Å
489	A	98.2	Very high	96.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.1	178.2	0	0	0	0	0	110.7	L481 A482 L497 Y498 L499 W538 L549	L481-A489 WeakPolarHBondContact CA-O 3.1Å; A482-A489 PolarHBondContact N-O 2.82Å; A482-A489 PolarHBondContact O-N 2.87Å; A489-L497 HydrophobicContact CB-CD1 4.43Å; A489-Y498 WeakPolarHBondContact CA-O 3.31Å; A489-L499 HydrophobicContact CB-CD1 4.07Å; A489-W538 HydrophobicContact CB-CZ2 4.15Å; A489-L549 HydrophobicContact CB-CD2 4.24Å
490	C	98.6	Very high	96.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.9	172.4	72.7	0	0	0	0	111.7	L455 G480 L481 Y498	L455-C490 HydrophobicContact CD1-CB 4.09Å; L455-C490 HydrophobicContact CD2-CB 4.15Å; G480-C490 WeakPolarHBondContact O-CA 3.34Å; G480-C490 WeakPolarHBondContact O-CB 3.49Å; L481-C490 HydrophobicContact CD1-CB 4.19Å; C490-Y498 PolarHBondContact N-O 2.9Å; C490-Y498 PolarHBondContact O-N 3.1Å
491	G	98.4	Very high	96.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.			trans	-75.6	-179.6	169.4	0	0	0	0	0	113.1	V479 G480 S496	V479-G491 WeakPolarHBondContact CG2-O 3.48Å; V479-G491 WeakPolarHBondContact O-CA 3.41Å; V479-G491 PolarHBondContact O-N 3.4Å; G480-G491 PolarHBondContact O-N 2.87Å; G491-S496 CarbonylContact C-O 3.52Å
492	S	98.2	Very high	96.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.			trans	-156.1	153.3	-179.3	-179	0	0	0	0	111.1	I473 N494 N495 S496 F532 V533	I473-S492 PolarHBondContact N-OG 2.7Å; I473-S492 WeakPolarHBondContact O-CA 3.33Å; I473-S492 PolarHBondContact O-OG 2.65Å; S492-N494 WeakPolarHBondContact CB-OD1 3.32Å; S492-N494 PolarHBondContact O-N 3.28Å; S492-N494 PolarHBondContact OG-OD1 3.02Å; S492-N495 PolarHBondContact O-N 3.02Å; S492-S496 VanDerWaalsContact CB-O 3.23Å; S492-S496 WeakPolarHBondContact CB-O 3.26Å; S492-S496 PolarHBondContact N-O 2.85Å; S492-F532 WeakPolarHBondContact O-CA 3.45Å; S492-V533 PolarHBondContact O-N 3.38Å; S492-V533 VanDerWaalsContact O-N 3.14Å
493	E	97.3	Very high	95.7	Very high	46 Å²	46	17.1 Å²	17.1	22%	0.215	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	14	-179	-60.2	176.9	146	0	0	113.9	I473 N474 E475 K476 N477 V479 E531 F532	I473-E493 HydrophobicContact CG2-CB 4.23Å; I473-E493 PolarHBondContact O-N 3.25Å; N474-E493 WeakPolarHBondContact CA-OE2 3.44Å; E475-E493 PolarHBondContact N-OE2 3.02Å; K476-E493 WeakPolarHBondContact CA-OE1 3.41Å; K476-E493 WeakPolarHBondContact CB-OE1 3.41Å; K476-E493 PolarHBondContact N-OE1 2.86Å; N477-E493 HydrophobicContact CB-CG 4.47Å; N477-E493 WeakPolarHBondContact CB-OE1 3.43Å; N477-E493 PolarHBondContact N-OE1 3.45Å; N477-E493 PolarHBondContact ND2-OE1 3.22Å; V479-E493 HydrophobicContact CG1-CG 4.15Å; E493-E531 CarbonylContact C-O 3.46Å; E493-F532 HydrophobicContact CB-CB 4.43Å; E493-F532 HydrophobicContact CG-CB 4.21Å
494	N	95.3	Very high	95.5	Very high	56 Å²	56	16 Å²	16	30%	0.299	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	33.8	168.4	63.1	-4.6	0	0	0	111.3	I473 S492 S496 Y498	I473-N494 HydrophobicContact CD1-CB 4.42Å; S492-N494 WeakPolarHBondContact CB-OD1 3.32Å; S492-N494 PolarHBondContact O-N 3.28Å; S492-N494 PolarHBondContact OG-OD1 3.02Å; N494-S496 PolarHBondContact O-N 2.71Å; N494-S496 VanDerWaalsContact O-N 3.13Å; N494-S496 PolarHBondContact O-OG 3.45Å; N494-S496 WeakPolarHBondContact OD1-CB 3.41Å; N494-Y498 PolarHBondContact ND2-OH 3.32Å
495	N	96.6	Very high	95.5	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	42	-175.2	-157.4	10.8	0	0	0	113.8	S492 F513 T515 E531 N553	S492-N495 PolarHBondContact O-N 3.02Å; N495-F513 WeakPolarHBondContact O-CB 3.43Å; N495-F513 PolarHBondContact O-N 2.78Å; N495-F513 WeakPolarHBondContact OD1-CB 3.49Å; N495-T515 PolarHBondContact ND2-OG1 2.86Å; N495-E531 HydrophobicContact CB-CB 3.85Å; N495-E531 PolarHBondContact N-O 2.93Å; N495-E531 PolarHBondContact ND2-OE2 3.03Å; N495-N553 PolarHBondContact ND2-ND2 3.41Å; N495-N553 WeakPolarHBondContact OD1-CB 3.26Å; N495-N553 PolarHBondContact OD1-ND2 3.13Å
496	S	97.2	Very high	95.6	Very high	7 Å²	7	17 Å²	17	5%	0.049	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.9	-176.6	-53.6	0	0	0	0	112.8	G491 S492 N494 F511	G491-S496 CarbonylContact C-O 3.52Å; S492-S496 VanDerWaalsContact CB-O 3.23Å; S492-S496 WeakPolarHBondContact CB-O 3.26Å; S492-S496 PolarHBondContact N-O 2.85Å; N494-S496 PolarHBondContact O-N 2.71Å; N494-S496 VanDerWaalsContact O-N 3.13Å; N494-S496 PolarHBondContact O-OG 3.45Å; N494-S496 WeakPolarHBondContact OD1-CB 3.41Å; S496-F511 CarbonylContact C-O 3.51Å; S496-F511 WeakPolarHBondContact CA-O 3.19Å
497	L	98.2	Very high	95.7	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.1	170.8	177.4	75.8	0	0	0	109.6	A489 T510 F511 V536 L549 A551 L561	A489-L497 HydrophobicContact CB-CD1 4.43Å; L497-T510 CarbonylContact O-C 3.55Å; L497-T510 VanDerWaalsContact O-CA 3.28Å; L497-T510 WeakPolarHBondContact O-CA 3.35Å; L497-T510 WeakPolarHBondContact O-CG2 3.43Å; L497-F511 HydrophobicContact CB-CB 4.35Å; L497-F511 PolarHBondContact N-O 2.97Å; L497-F511 PolarHBondContact O-N 2.86Å; L497-V536 HydrophobicContact CD1-CB 4.33Å; L497-V536 HydrophobicContact CD1-CG1 3.48Å; L497-V536 VanDerWaalsContact CD1-CG1 3.48Å; L497-L549 HydrophobicContact CD2-CD1 3.57Å; L497-L549 HydrophobicContact CD2-CD2 4.29Å; L497-A551 HydrophobicContact CD1-CB 4.23Å; L497-A551 HydrophobicContact CD2-CB 4.34Å; L497-L561 HydrophobicContact CD2-CD1 3.7Å
498	Y	98.3	Very high	95.6	Very high	24 Å²	24	16.5 Å²	16.5	9%	0.094	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.7	176.5	-77.4	-111.4	0	0	0	110.6	G471 H472 A489 C490 N494 T507 T510	G471-Y498 WeakPolarHBondContact O-CE1 3.42Å; G471-Y498 VanDerWaalsContact O-CZ 3.31Å; G471-Y498 PolarHBondContact O-OH 2.94Å; G471-Y498 VanDerWaalsContact O-OH 3.09Å; H472-Y498 HydrophobicContact CB-CD1 3.97Å; H472-Y498 HydrophobicContact CB-CD2 3.77Å; H472-Y498 HydrophobicContact CB-CE1 4.29Å; H472-Y498 HydrophobicContact CB-CE2 4.09Å; H472-Y498 HydrophobicContact CB-CG 3.71Å; A489-Y498 WeakPolarHBondContact CA-O 3.31Å; C490-Y498 PolarHBondContact N-O 2.9Å; C490-Y498 PolarHBondContact O-N 3.1Å; N494-Y498 PolarHBondContact ND2-OH 3.32Å; Y498-T507 HydrophobicContact CD1-CG2 3.53Å; Y498-T507 HydrophobicContact CE1-CG2 4.2Å; Y498-T507 HydrophobicContact CG-CG2 4.4Å; Y498-T510 HydrophobicContact CD2-CG2 4.15Å; Y498-T510 HydrophobicContact CE1-CG2 4.35Å; Y498-T510 HydrophobicContact CE2-CG2 3.91Å; Y498-T510 HydrophobicContact CG-CG2 4.47Å
499	L	97.7	Very high	95.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.1	173.4	-168.9	72.7	0	0	0	110.7	A489 L508 L509 W538 L563	A489-L499 HydrophobicContact CB-CD1 4.07Å; L499-L508 HydrophobicContact CD2-CD2 4.44Å; L499-L508 WeakPolarHBondContact O-CB 3.3Å; L499-L508 PolarHBondContact O-N 3.29Å; L499-L509 HydrophobicContact CB-CD1 3.48Å; L499-L509 VanDerWaalsContact CB-CD1 3.48Å; L499-L509 HydrophobicContact CB-CG 3.89Å; L499-L509 HydrophobicContact CD2-CD1 3.88Å; L499-L509 HydrophobicContact CD2-CD2 4.03Å; L499-L509 HydrophobicContact CD2-CG 3.8Å; L499-L509 HydrophobicContact CG-CD1 4.32Å; L499-L509 HydrophobicContact CG-CG 4.47Å; L499-L509 PolarHBondContact N-O 2.78Å; L499-W538 HydrophobicContact CD1-CH2 3.72Å; L499-W538 HydrophobicContact CD1-CZ2 3.55Å; L499-L563 HydrophobicContact CD1-CD1 4.42Å; L499-L563 HydrophobicContact CD2-CD1 3.59Å; L499-L563 HydrophobicContact CD2-CD2 4.2Å
500	Y	97	Very high	95.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.9	174.2	-61.5	-86.1	0	0	0	109.9	L455 F469 K470 G471 H472 Y487 I488 T507	L455-Y500 HydrophobicContact CD1-CD2 4.01Å; L455-Y500 HydrophobicContact CD1-CE2 4.16Å; F469-Y500 HydrophobicContact CB-CD1 3.78Å; F469-Y500 HydrophobicContact CB-CD2 4.44Å; F469-Y500 HydrophobicContact CB-CE1 3.85Å; F469-Y500 HydrophobicContact CB-CE2 4.49Å; F469-Y500 HydrophobicContact CB-CG 4.09Å; F469-Y500 AromaticContact CD1-CD1 3.95Å; F469-Y500 HydrophobicContact CD1-CD1 3.95Å; F469-Y500 HydrophobicContact CD1-CG 4.07Å; F469-Y500 HydrophobicContact CG-CD1 4.27Å; F469-Y500 HydrophobicContact CG-CG 4.33Å; K470-Y500 WeakPolarHBondContact O-CE1 3.48Å; K470-Y500 PolarHBondContact O-OH 2.96Å; G471-Y500 PolarHBondContact N-OH 3.41Å; H472-Y500 PolarHBondContact N-OH 3.5Å; H472-Y500 AromaticContact ND1-CE2 3.87Å; H472-Y500 AromaticContact ND1-CZ 3.81Å; H472-Y500 PolarHBondContact ND1-OH 3.27Å; Y487-Y500 WeakPolarHBondContact CA-O 3.29Å; I488-Y500 PolarHBondContact N-O 2.73Å; I488-Y500 PolarHBondContact O-N 3.29Å; Y500-T507 VanDerWaalsContact CE1-CA 3.47Å; Y500-T507 WeakPolarHBondContact CE1-OG1 3.46Å; Y500-T507 PolarHBondContact OH-OG1 2.94Å
501	Y	94.9	Very high	95.1	Very high	19 Å²	19	21.9 Å²	21.9	8%	0.075	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.6	162.9	161.1	-112	0	0	0	108	C228 K231 F232 D486 Y487 G503 L504	C228-Y501 HydrophobicContact CB-CE1 4.38Å; K231-Y501 HydrophobicContact CB-CD2 3.87Å; K231-Y501 HydrophobicContact CB-CE2 3.5Å; K231-Y501 HydrophobicContact CD-CE2 3.73Å; K231-Y501 HydrophobicContact CG-CE2 4.24Å; F232-Y501 HydrophobicContact CB-CD1 4.39Å; D486-Y501 HydrophobicContact CB-CD2 3.9Å; D486-Y501 HydrophobicContact CB-CE2 3.66Å; D486-Y501 WeakPolarHBondContact O-CD2 3.47Å; Y487-Y501 HydrophobicContact CE1-CD2 4.28Å; Y501-G503 VanDerWaalsContact CE1-CA 3.43Å; Y501-G503 PolarHBondContact O-N 3Å; Y501-L504 HydrophobicContact CD1-CB 4.45Å; Y501-L504 HydrophobicContact CD1-CD1 4.21Å; Y501-L504 HydrophobicContact CD1-CG 4.03Å; Y501-L504 HydrophobicContact CE1-CG 4.38Å; Y501-L504 PolarHBondContact O-N 3.14Å; Y501-L504 VanDerWaalsContact O-O 3.06Å
502	K	93.8	Very high	95.1	Very high	39 Å²	39	28.4 Å²	28.4	17%	0.17	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	-168.7	82.3	178.5	-169.1	-161.7	0	114.3	V441 E445 L457 R467 D486 I488	V441-K502 HydrophobicContact CG1-CD 3.92Å; E445-K502 IonicContact OE1-NZ 3.85Å; E445-K502 WeakPolarHBondContact OE2-CE 3.14Å; E445-K502 IonicContact OE2-NZ 3.3Å; E445-K502 PolarHBondContact OE2-NZ 3.25Å; L457-K502 HydrophobicContact CD2-CB 4.4Å; R467-K502 WeakPolarHBondContact CD-O 3.15Å; R467-K502 PolarHBondContact NH1-O 3.27Å; D486-K502 HydrophobicContact CB-CD 4.27Å; D486-K502 HydrophobicContact CB-CG 4.23Å; D486-K502 PolarHBondContact O-N 3.28Å; D486-K502 WeakPolarHBondContact OD1-CD 3.28Å; D486-K502 WeakPolarHBondContact OD1-CE 3.39Å; D486-K502 IonicContact OD1-NZ 3.1Å; D486-K502 PolarHBondContact OD1-NZ 3.42Å; I488-K502 HydrophobicContact CD1-CB 3.89Å
503	G	90.4	Very high	94.9	Very high	10 Å²	10	28.5 Å²	28.5	10%	0.103	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.5	178.6	0	0	0	0	0	115.7	R467 Y501	R467-G503 VanDerWaalsContact CZ-C 3.41Å; R467-G503 PolarHBondContact NE-O 3.46Å; R467-G503 PolarHBondContact NH1-O 3.19Å; R467-G503 PolarHBondContact NH2-O 3.28Å; Y501-G503 VanDerWaalsContact CE1-CA 3.43Å; Y501-G503 PolarHBondContact O-N 3Å
504	L	90.9	Very high	94.5	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.159	C	C	.	.			trans	-132.2	151.5	-176.1	-58.7	172	0	0	0	111.2	D199 L200 C203 F232 F469 Y501	D199-L504 HydrophobicContact CB-CB 4.45Å; D199-L504 HydrophobicContact CB-CD2 3.89Å; L200-L504 HydrophobicContact CD2-CD1 3.82Å; L200-L504 HydrophobicContact CD2-CD2 3.9Å; L200-L504 HydrophobicContact CG-CD1 4.43Å; L200-L504 HydrophobicContact CG-CD2 4.32Å; C203-L504 HydrophobicContact CB-CD2 4.18Å; F232-L504 HydrophobicContact CB-CD1 3.74Å; F232-L504 HydrophobicContact CD1-CD1 4.2Å; F232-L504 HydrophobicContact CD2-CD1 3.62Å; F232-L504 HydrophobicContact CE2-CD1 4.31Å; F232-L504 HydrophobicContact CG-CD1 3.56Å; F469-L504 WeakPolarHBondContact CD1-O 3.45Å; F469-L504 WeakPolarHBondContact CE1-O 3.46Å; Y501-L504 HydrophobicContact CD1-CB 4.45Å; Y501-L504 HydrophobicContact CD1-CD1 4.21Å; Y501-L504 HydrophobicContact CD1-CG 4.03Å; Y501-L504 HydrophobicContact CE1-CG 4.38Å; Y501-L504 PolarHBondContact O-N 3.14Å; Y501-L504 VanDerWaalsContact O-O 3.06Å
505	S	92.2	Very high	93.6	Very high	34 Å²	34	30.8 Å²	30.8	24%	0.238	16%	0.16	C	C	.	.	S	Bend	trans	-93	-29.1	-168.9	-46.5	0	0	0	0	113.1	D199 R467 F469 K470	D199-S505 VanDerWaalsContact OD2-CA 3.31Å; D199-S505 WeakPolarHBondContact OD2-CA 3.44Å; D199-S505 VanDerWaalsContact OD2-CB 3.25Å; D199-S505 WeakPolarHBondContact OD2-CB 3.15Å; D199-S505 PolarHBondContact OD2-N 3.03Å; R467-S505 WeakPolarHBondContact CG-OG 3.31Å; F469-S505 WeakPolarHBondContact CA-O 3.46Å; K470-S505 PolarHBondContact N-O 2.96Å
506	K	90.3	Very high	92.2	Very high	57 Å²	57	35.2 Å²	35.2	25%	0.248	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-78.4	150.3	174.9	-70.2	169.6	-175.4	156.9	0	112.5	A195 H196 E198 D199	A195-K506 VanDerWaalsContact O-CD 3.31Å; A195-K506 WeakPolarHBondContact O-CD 3.49Å; A195-K506 PolarHBondContact O-NZ 3.21Å; H196-K506 VanDerWaalsContact CE1-CB 3.48Å; H196-K506 WeakPolarHBondContact CE1-CB 3.38Å; E198-K506 IonicContact OE2-NZ 2.94Å; E198-K506 PolarHBondContact OE2-NZ 2.93Å; D199-K506 WeakPolarHBondContact OD1-CD 3.25Å; D199-K506 WeakPolarHBondContact OD1-CE 3.31Å; D199-K506 WeakPolarHBondContact OD1-CG 3.5Å; D199-K506 IonicContact OD1-NZ 3.91Å; D199-K506 PolarHBondContact OD1-NZ 3.13Å; D199-K506 VanDerWaalsContact OD1-NZ 3.1Å; D199-K506 PolarHBondContact OD2-N 2.82Å
507	T	93.6	Very high	90.4	Very high	29 Å²	29	41.7 Å²	41.7	18%	0.178	21%	0.214	C	C	.	.			trans	-57.7	130.8	178.4	-48.8	0	0	0	0	112.3	H196 K470 Y498 Y500 L509	H196-T507 PolarHBondContact CE1-O 2.88Å; H196-T507 PolarHBondContact NE2-O 3.25Å; K470-T507 PolarHBondContact O-OG1 3.08Å; Y498-T507 HydrophobicContact CD1-CG2 3.53Å; Y498-T507 HydrophobicContact CE1-CG2 4.2Å; Y498-T507 HydrophobicContact CG-CG2 4.4Å; Y500-T507 VanDerWaalsContact CE1-CA 3.47Å; Y500-T507 WeakPolarHBondContact CE1-OG1 3.46Å; Y500-T507 PolarHBondContact OH-OG1 2.94Å; T507-L509 VanDerWaalsContact CG2-O 3.24Å; T507-L509 WeakPolarHBondContact CG2-O 3.36Å
508	L	91.9	Very high	88.3	Confident	11 Å²	11	44 Å²	44	6%	0.058	23%	0.231	C	C	.	.	S	Bend	trans	-77.7	-48.7	177.1	-168.2	161.1	0	0	0	111.2	F232 Y487 L499	F232-L508 HydrophobicContact CD2-CD1 4.16Å; F232-L508 HydrophobicContact CD2-CG 4.03Å; F232-L508 HydrophobicContact CE2-CG 4.15Å; Y487-L508 HydrophobicContact CD1-CD1 4.36Å; Y487-L508 HydrophobicContact CE1-CD1 4.05Å; L499-L508 HydrophobicContact CD2-CD2 4.44Å; L499-L508 WeakPolarHBondContact O-CB 3.3Å; L499-L508 PolarHBondContact O-N 3.29Å
509	L	92.7	Very high	86.2	Confident	21 Å²	21	48.5 Å²	48.5	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166.3	175	59.3	73.4	0	0	0	111.4	V238 L499 T507 L563	V238-L509 HydrophobicContact CG2-CD1 3.37Å; V238-L509 HydrophobicContact CG2-CD2 3.93Å; V238-L509 HydrophobicContact CG2-CG 4.25Å; L499-L509 HydrophobicContact CB-CD1 3.48Å; L499-L509 VanDerWaalsContact CB-CD1 3.48Å; L499-L509 HydrophobicContact CB-CG 3.89Å; L499-L509 HydrophobicContact CD2-CD1 3.88Å; L499-L509 HydrophobicContact CD2-CD2 4.03Å; L499-L509 HydrophobicContact CD2-CG 3.8Å; L499-L509 HydrophobicContact CG-CD1 4.32Å; L499-L509 HydrophobicContact CG-CG 4.47Å; L499-L509 PolarHBondContact N-O 2.78Å; T507-L509 VanDerWaalsContact CG2-O 3.24Å; T507-L509 WeakPolarHBondContact CG2-O 3.36Å; L509-L563 HydrophobicContact CD1-CD2 4.42Å; L509-L563 HydrophobicContact CD2-CD2 4.35Å
510	T	96.1	Very high	84.1	Confident	67 Å²	67	56 Å²	56	41%	0.411	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.2	179.3	-56.2	0	0	0	0	109.1	L497 Y498	L497-T510 CarbonylContact O-C 3.55Å; L497-T510 VanDerWaalsContact O-CA 3.28Å; L497-T510 WeakPolarHBondContact O-CA 3.35Å; L497-T510 WeakPolarHBondContact O-CG2 3.43Å; Y498-T510 HydrophobicContact CD2-CG2 4.15Å; Y498-T510 HydrophobicContact CE1-CG2 4.35Å; Y498-T510 HydrophobicContact CE2-CG2 3.91Å; Y498-T510 HydrophobicContact CG-CG2 4.47Å
511	F	97.2	Very high	82.1	Confident	26 Å²	26	58.8 Å²	58.8	11%	0.114	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.7	170.9	172.9	-89.6	0	0	0	109	V238 P240 S496 L497 F513 K559 L561	V238-F511 HydrophobicContact CB-CB 4.24Å; V238-F511 HydrophobicContact CB-CD2 4.12Å; V238-F511 HydrophobicContact CG1-CB 4.21Å; V238-F511 HydrophobicContact CG1-CD2 3.99Å; V238-F511 HydrophobicContact CG1-CG 4.25Å; V238-F511 HydrophobicContact CG2-CB 4.22Å; P240-F511 HydrophobicContact CG-CE2 3.77Å; P240-F511 HydrophobicContact CG-CZ 4.07Å; S496-F511 CarbonylContact C-O 3.51Å; S496-F511 WeakPolarHBondContact CA-O 3.19Å; L497-F511 HydrophobicContact CB-CB 4.35Å; L497-F511 PolarHBondContact N-O 2.97Å; L497-F511 PolarHBondContact O-N 2.86Å; F511-F513 HydrophobicContact CD1-CD2 4.04Å; F511-F513 HydrophobicContact CD1-CE2 4.01Å; F511-F513 AromaticContact CE1-CD2 3.88Å; F511-F513 HydrophobicContact CE1-CD2 3.88Å; F511-F513 AromaticContact CE1-CE2 3.99Å; F511-F513 HydrophobicContact CE1-CE2 3.99Å; F511-F513 HydrophobicContact CE1-CG 4.27Å; F511-F513 HydrophobicContact CE1-CZ 4.47Å; F511-K559 HydrophobicContact CE1-CD 3.78Å; F511-K559 HydrophobicContact CZ-CD 3.64Å; F511-L561 HydrophobicContact CD1-CD1 3.75Å; F511-L561 HydrophobicContact CD1-CD2 4.2Å; F511-L561 HydrophobicContact CD2-CD2 4.23Å; F511-L561 HydrophobicContact CE1-CD1 4.13Å; F511-L561 HydrophobicContact CE1-CD2 3.97Å; F511-L561 HydrophobicContact CE2-CD2 3.99Å; F511-L561 HydrophobicContact CG-CD1 4.13Å; F511-L561 HydrophobicContact CG-CD2 4.35Å; F511-L561 HydrophobicContact CZ-CD2 3.86Å
512	K	96.5	Very high	80	Confident	137 Å²	137	66 Å²	66	60%	0.596	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.2	177.3	-179.4	170.7	-179.1	-176.8	0	110.1
513	F	94.9	Very high	78.1	Confident	3 Å²	3	71.9 Å²	71.9	1%	0.013	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-77	148.1	172.4	-80.6	-112.4	0	0	0	111.4	N495 F511 T515 V533 A551 N553 T557 K559	N495-F513 WeakPolarHBondContact O-CB 3.43Å; N495-F513 PolarHBondContact O-N 2.78Å; N495-F513 WeakPolarHBondContact OD1-CB 3.49Å; F511-F513 HydrophobicContact CD1-CD2 4.04Å; F511-F513 HydrophobicContact CD1-CE2 4.01Å; F511-F513 AromaticContact CE1-CD2 3.88Å; F511-F513 HydrophobicContact CE1-CD2 3.88Å; F511-F513 AromaticContact CE1-CE2 3.99Å; F511-F513 HydrophobicContact CE1-CE2 3.99Å; F511-F513 HydrophobicContact CE1-CG 4.27Å; F511-F513 HydrophobicContact CE1-CZ 4.47Å; F513-T515 PolarHBondContact O-N 3.19Å; F513-V533 HydrophobicContact CD2-CG2 3.56Å; F513-V533 HydrophobicContact CE2-CG2 3.52Å; F513-V533 HydrophobicContact CG-CG2 4.46Å; F513-V533 HydrophobicContact CZ-CG2 4.39Å; F513-A551 HydrophobicContact CE2-CB 4.2Å; F513-A551 HydrophobicContact CZ-CB 3.82Å; F513-N553 HydrophobicContact CD1-CB 4.25Å; F513-N553 HydrophobicContact CE1-CB 4.46Å; F513-T557 HydrophobicContact CD1-CG2 4.2Å; F513-T557 HydrophobicContact CE1-CG2 4.47Å; F513-K559 HydrophobicContact CD1-CD 4.28Å; F513-K559 HydrophobicContact CE1-CB 4.31Å; F513-K559 HydrophobicContact CE1-CD 4.19Å; F513-K559 HydrophobicContact CE1-CG 4.08Å
514	D	88.9	Confident	76.3	Confident	96 Å²	96	79.7 Å²	79.7	51%	0.513	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-71.2	119.5	170.9	-43.6	-72.1	0	0	0	109.3	V516 K559	D514-V516 PolarHBondContact O-N 3.47Å; D514-K559 WeakPolarHBondContact OD2-CE 3.37Å; D514-K559 IonicContact OD2-NZ 3.39Å; D514-K559 PolarHBondContact OD2-NZ 3.04Å
515	T	77.3	Confident	74.4	Confident	53 Å²	53	86.8 Å²	86.8	33%	0.325	44%	0.437	S	S	.	.			trans	-77.6	103.8	170.8	-68.6	0	0	0	0	108.9	N495 F513 K517 E531	N495-T515 PolarHBondContact ND2-OG1 2.86Å; F513-T515 PolarHBondContact O-N 3.19Å; T515-K517 PolarHBondContact O-N 3.35Å; T515-E531 WeakPolarHBondContact CB-OE2 3.36Å; T515-E531 WeakPolarHBondContact CG2-OE1 3.42Å; T515-E531 VanDerWaalsContact CG2-OE2 3.28Å; T515-E531 WeakPolarHBondContact CG2-OE2 3.46Å; T515-E531 PolarHBondContact OG1-OE2 3.02Å
516	V	66.9	Low	72.3	Confident	98 Å²	98	92.1 Å²	92.1	59%	0.594	46%	0.458	S	S	*	.			trans	-75.8	111.3	178.5	-176.1	0	0	0	0	109.2	D514 Q555	D514-V516 PolarHBondContact O-N 3.47Å; V516-Q555 PolarHBondContact O-NE2 2.73Å
517	K	59.3	Low	70.2	Confident	142 Å²	142	96.9 Å²	96.9	62%	0.617	49%	0.486	S	S	*	.			trans	-81.2	120.5	174.6	-64.9	-173.3	178.6	-175.3	0	110	T515 E526	T515-K517 PolarHBondContact O-N 3.35Å; K517-E526 IonicContact NZ-OE1 2.89Å; K517-E526 PolarHBondContact NZ-OE1 3.17Å
518	S	54.5	Low	68.2	Low	54 Å²	54	100.6 Å²	100.6	38%	0.378	51%	0.505	S	S	.	.			trans	-64	143.8	171	-175.1	0	0	0	0	110.7	L520 D521	S518-L520 PolarHBondContact O-N 2.99Å; S518-L520 VanDerWaalsContact O-N 3.12Å; S518-L520 PolarHBondContact OG-N 3.47Å; S518-D521 WeakPolarHBondContact CB-OD2 3.39Å; S518-D521 PolarHBondContact O-N 3.39Å
519	V	52.9	Low	66.8	Low	118 Å²	118	103.5 Å²	103.5	72%	0.715	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.2	174.6	-178.5	0	0	0	0	111.8
520	L	53.8	Low	66.2	Low	159 Å²	159	108.6 Å²	108.6	83%	0.832	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-16.3	175.7	-58.5	175.9	0	0	0	113.7	S518 K522	S518-L520 PolarHBondContact O-N 2.99Å; S518-L520 VanDerWaalsContact O-N 3.12Å; S518-L520 PolarHBondContact OG-N 3.47Å; L520-K522 VanDerWaalsContact C-N 3.3Å; L520-K522 PolarHBondContact O-N 2.84Å
521	D	54.6	Low	66	Low	58 Å²	58	106.5 Å²	106.5	31%	0.31	54%	0.536	S	S	.	.			trans	-90.5	21.7	-173.7	-82.6	-48.8	0	0	0	114	S518 D523 R524	S518-D521 WeakPolarHBondContact CB-OD2 3.39Å; S518-D521 PolarHBondContact O-N 3.39Å; D521-D523 PolarHBondContact O-N 3.48Å; D521-R524 PolarHBondContact O-N 3.09Å; D521-R524 VanDerWaalsContact O-N 3.1Å; D521-R524 VanDerWaalsContact OD1-CD 3.25Å; D521-R524 WeakPolarHBondContact OD1-CD 3.45Å; D521-R524 IonicContact OD1-CZ 3.47Å; D521-R524 VanDerWaalsContact OD1-CZ 3.3Å; D521-R524 IonicContact OD1-NE 2.69Å; D521-R524 PolarHBondContact OD1-NE 3.01Å; D521-R524 IonicContact OD1-NH1 2.74Å; D521-R524 PolarHBondContact OD1-NH1 3.27Å; D521-R524 IonicContact OD2-NH1 2.64Å
522	K	52.4	Low	66	Low	172 Å²	172	106.3 Å²	106.3	75%	0.748	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.2	-174.3	-75.1	-178.2	178.4	-179.9	0	115.1	L520	L520-K522 VanDerWaalsContact C-N 3.3Å; L520-K522 PolarHBondContact O-N 2.84Å
523	D	53.2	Low	66	Low	161 Å²	161	99.8 Å²	99.8	86%	0.861	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	1.2	-177.8	-58.9	-52.6	0	0	0	114	D521	D521-D523 PolarHBondContact O-N 3.48Å
524	R	51.8	Low	66.2	Low	174 Å²	174	99.7 Å²	99.7	66%	0.657	51%	0.507	S	S	*	.			trans	-82.8	131.9	174.5	-73.8	-170	168.3	146	-9.9	111.3	D521	D521-R524 PolarHBondContact O-N 3.09Å; D521-R524 VanDerWaalsContact O-N 3.1Å; D521-R524 VanDerWaalsContact OD1-CD 3.25Å; D521-R524 WeakPolarHBondContact OD1-CD 3.45Å; D521-R524 IonicContact OD1-CZ 3.47Å; D521-R524 VanDerWaalsContact OD1-CZ 3.3Å; D521-R524 IonicContact OD1-NE 2.69Å; D521-R524 PolarHBondContact OD1-NE 3.01Å; D521-R524 IonicContact OD1-NH1 2.74Å; D521-R524 PolarHBondContact OD1-NH1 3.27Å; D521-R524 IonicContact OD2-NH1 2.64Å
525	K	50.7	Low	66.6	Low	153 Å²	153	95.2 Å²	95.2	67%	0.665	48%	0.483	S	S	*	.			trans	-73.9	148.1	175.4	-66.5	180	179.6	178.4	0	110.7	D527 D528	K525-D527 PolarHBondContact O-N 2.91Å; K525-D528 PolarHBondContact O-N 2.98Å; K525-D528 VanDerWaalsContact O-N 3.17Å
526	E	48.1	Very low	67.6	Low	146 Å²	146	93.1 Å²	93.1	68%	0.682	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17	-177.2	-57.6	-168.1	125.4	0	0	113.7	K517 T529	K517-E526 IonicContact NZ-OE1 2.89Å; K517-E526 PolarHBondContact NZ-OE1 3.17Å; E526-T529 PolarHBondContact O-OG1 3.18Å; E526-T529 VanDerWaalsContact O-OG1 3.12Å
527	D	47.8	Very low	69.1	Low	156 Å²	156	88.7 Å²	88.7	83%	0.834	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-16.4	175.1	-63.3	-53	0	0	0	114.1	K525	K525-D527 PolarHBondContact O-N 2.91Å
528	D	51.5	Low	70.9	Confident	108 Å²	108	82.5 Å²	82.5	58%	0.578	42%	0.417	S	S	*	.			trans	-88.2	-14.7	-174.7	-82.1	-53.5	0	0	0	114	K525 N530	K525-D528 PolarHBondContact O-N 2.98Å; K525-D528 VanDerWaalsContact O-N 3.17Å; D528-N530 PolarHBondContact O-N 3.44Å; D528-N530 PolarHBondContact O-ND2 2.97Å
529	T	61	Low	72.9	Confident	72 Å²	72	81.5 Å²	81.5	44%	0.442	41%	0.405	S	S	.	.			trans	-72.4	83.7	-179.6	34.1	0	0	0	0	112.4	E526 E531	E526-T529 PolarHBondContact O-OG1 3.18Å; E526-T529 VanDerWaalsContact O-OG1 3.12Å; T529-E531 PolarHBondContact O-N 3.29Å
530	N	81.3	Confident	74.6	Confident	128 Å²	128	78.4 Å²	78.4	68%	0.684	39%	0.391	S	S	*	.			trans	-72.5	59.9	175.6	-77.8	-106.6	0	0	0	111.9	D528	D528-N530 PolarHBondContact O-N 3.44Å; D528-N530 PolarHBondContact O-ND2 2.97Å
531	E	91.7	Very high	76	Confident	22 Å²	22	72.9 Å²	72.9	10%	0.103	36%	0.363	C	S	.	.			trans	-94	132.3	-173.4	-69.2	174.5	-174.8	0	0	113	E493 N495 T515 T529 S554 Q555	E493-E531 CarbonylContact C-O 3.46Å; N495-E531 HydrophobicContact CB-CB 3.85Å; N495-E531 PolarHBondContact N-O 2.93Å; N495-E531 PolarHBondContact ND2-OE2 3.03Å; T515-E531 WeakPolarHBondContact CB-OE2 3.36Å; T515-E531 WeakPolarHBondContact CG2-OE1 3.42Å; T515-E531 VanDerWaalsContact CG2-OE2 3.28Å; T515-E531 WeakPolarHBondContact CG2-OE2 3.46Å; T515-E531 PolarHBondContact OG1-OE2 3.02Å; T529-E531 PolarHBondContact O-N 3.29Å; E531-S554 WeakPolarHBondContact CA-OG 3.44Å; E531-Q555 HydrophobicContact CG-CG 4.26Å; E531-Q555 PolarHBondContact OE1-NE2 3.44Å
532	F	96.4	Very high	77	Confident	22 Å²	22	75.9 Å²	75.9	10%	0.096	39%	0.385	C	S	.	.			trans	-137.1	142.9	-177.8	61.8	-84.3	0	0	0	111.5	I256 N477 V479 S492 E493 S534 N553 S554	I256-F532 HydrophobicContact CD1-CZ 4.27Å; I256-F532 HydrophobicContact CG2-CE2 4.46Å; I256-F532 HydrophobicContact CG2-CZ 4.29Å; N477-F532 HydrophobicContact CB-CD1 4.42Å; N477-F532 HydrophobicContact CB-CD2 3.82Å; N477-F532 HydrophobicContact CB-CE1 4.43Å; N477-F532 HydrophobicContact CB-CE2 3.83Å; N477-F532 HydrophobicContact CB-CG 4.14Å; N477-F532 HydrophobicContact CB-CZ 4.15Å; V479-F532 HydrophobicContact CG1-CD2 4.5Å; S492-F532 WeakPolarHBondContact O-CA 3.45Å; E493-F532 HydrophobicContact CB-CB 4.43Å; E493-F532 HydrophobicContact CG-CB 4.21Å; F532-S534 PolarHBondContact O-N 3.27Å; F532-N553 CarbonylContact O-C 3.59Å; F532-N553 VanDerWaalsContact O-CA 3.31Å; F532-N553 WeakPolarHBondContact O-CA 3.19Å; F532-N553 WeakPolarHBondContact O-CB 3.23Å; F532-S554 PolarHBondContact N-OG 2.85Å; F532-S554 VanDerWaalsContact N-OG 3.1Å; F532-S554 PolarHBondContact O-N 2.94Å; F532-S554 PolarHBondContact O-OG 2.96Å
533	V	98.1	Very high	77.9	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.8	163.1	172.8	0	0	0	0	107.2	V479 S492 F513 V536 N553	V479-V533 CarbonylContact C-O 3.58Å; V479-V533 WeakPolarHBondContact CA-O 3.48Å; V479-V533 VanDerWaalsContact CB-O 3.3Å; V479-V533 WeakPolarHBondContact CB-O 3.33Å; S492-V533 PolarHBondContact O-N 3.38Å; S492-V533 VanDerWaalsContact O-N 3.14Å; F513-V533 HydrophobicContact CD2-CG2 3.56Å; F513-V533 HydrophobicContact CE2-CG2 3.52Å; F513-V533 HydrophobicContact CG-CG2 4.46Å; F513-V533 HydrophobicContact CZ-CG2 4.39Å; V533-V536 HydrophobicContact CG1-CG1 3.82Å; V533-N553 HydrophobicContact CG2-CB 4.48Å
534	S	97.9	Very high	78.3	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.014	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-24.2	-165	61.2	0	0	0	0	114.1	V257 V479 G480 F532 A552 N553	V257-S534 VanDerWaalsContact O-CB 3.24Å; V257-S534 WeakPolarHBondContact O-CB 3.5Å; V257-S534 PolarHBondContact O-OG 2.87Å; V479-S534 CarbonylContact C-O 3.58Å; G480-S534 PolarHBondContact N-O 2.9Å; F532-S534 PolarHBondContact O-N 3.27Å; S534-A552 PolarHBondContact N-O 3.31Å; S534-A552 PolarHBondContact OG-O 3.42Å; S534-N553 PolarHBondContact OG-O 3.15Å
535	A	98.5	Very high	78.8	Confident	2 Å²	2	66 Å²	66	2%	0.017	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.7	174.5	0	0	0	0	0	111.3	V257 I260 A551 A552	V257-A535 HydrophobicContact CG1-CB 3.75Å; I260-A535 HydrophobicContact CD1-CB 4.04Å; I260-A535 HydrophobicContact CG1-CB 3.91Å; A535-A551 CarbonylContact O-C 3.6Å; A535-A551 WeakPolarHBondContact O-CA 3.28Å; A535-A552 PolarHBondContact N-O 2.77Å; A535-A552 PolarHBondContact O-N 3.3Å
536	V	98.4	Very high	80.3	Confident	8 Å²	8	59 Å²	59	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	141.1	177.8	-54.7	0	0	0	0	109.5	A482 L497 V533 I550 A551	A482-V536 HydrophobicContact CB-CG2 3.94Å; L497-V536 HydrophobicContact CD1-CB 4.33Å; L497-V536 HydrophobicContact CD1-CG1 3.48Å; L497-V536 VanDerWaalsContact CD1-CG1 3.48Å; V533-V536 HydrophobicContact CG1-CG1 3.82Å; V536-I550 CarbonylContact C-O 3.57Å; V536-I550 WeakPolarHBondContact CA-O 3.4Å; V536-A551 HydrophobicContact CG1-CB 4.02Å
537	C	98.2	Very high	82.3	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.8	175.9	-175.5	0	0	0	0	110.6	I260 E261 L549 I550	I260-C537 HydrophobicContact CB-CB 4.18Å; I260-C537 HydrophobicContact CG2-CB 4.12Å; I260-C537 VanDerWaalsContact O-CB 3.28Å; I260-C537 WeakPolarHBondContact O-CB 3.4Å; E261-C537 PolarHBondContact OE2-SG 3.26Å; C537-L549 CarbonylContact O-C 3.49Å; C537-L549 VanDerWaalsContact O-CA 3.29Å; C537-L549 WeakPolarHBondContact O-CA 3.31Å; C537-L549 VanDerWaalsContact O-CB 3.3Å; C537-L549 WeakPolarHBondContact O-CB 3.39Å; C537-I550 PolarHBondContact N-O 3.26Å; C537-I550 PolarHBondContact O-N 2.84Å
538	W	97.1	Very high	84.6	Confident	11 Å²	11	48 Å²	48	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.1	173.5	-70.3	97.6	0	0	0	110.6	A482 N484 Y487 A489 L499 A540 L549 L563	A482-W538 PolarHBondContact O-NE1 3.3Å; N484-W538 HydrophobicContact CB-CB 3.8Å; N484-W538 HydrophobicContact CB-CD2 3.55Å; N484-W538 HydrophobicContact CB-CE3 3.97Å; N484-W538 HydrophobicContact CB-CG 3.49Å; N484-W538 VanDerWaalsContact CB-CG 3.49Å; Y487-W538 HydrophobicContact CG-CH2 4.5Å; A489-W538 HydrophobicContact CB-CZ2 4.15Å; L499-W538 HydrophobicContact CD1-CH2 3.72Å; L499-W538 HydrophobicContact CD1-CZ2 3.55Å; W538-A540 PolarHBondContact O-N 3.1Å; W538-L549 HydrophobicContact CD2-CB 4.09Å; W538-L549 HydrophobicContact CD2-CD2 4.28Å; W538-L549 HydrophobicContact CE3-CB 3.93Å; W538-L549 HydrophobicContact CE3-CD2 4.12Å; W538-L549 HydrophobicContact CG-CB 4.44Å; W538-L549 HydrophobicContact CH2-CD2 4.05Å; W538-L549 HydrophobicContact CZ2-CD2 4.17Å; W538-L549 HydrophobicContact CZ3-CD2 4Å; W538-L563 HydrophobicContact CH2-CD1 3.58Å; W538-L563 HydrophobicContact CZ3-CD1 3.76Å
539	R	95.6	Very high	86.8	Confident	34 Å²	34	43 Å²	43	13%	0.128	25%	0.25	C	C	.	.			trans	-78.4	72.4	167.8	-169.8	176.8	-176.8	-128.6	3.4	109.2	F262 C266 Y283 L541 S546 V548	F262-R539 HydrophobicContact CD1-CG 4.08Å; F262-R539 HydrophobicContact CD2-CB 4.16Å; F262-R539 HydrophobicContact CD2-CG 4.41Å; F262-R539 HydrophobicContact CE1-CB 4.11Å; F262-R539 HydrophobicContact CE1-CG 3.64Å; F262-R539 HydrophobicContact CE2-CB 3.56Å; F262-R539 HydrophobicContact CE2-CG 4.02Å; F262-R539 HydrophobicContact CG-CG 4.44Å; F262-R539 HydrophobicContact CZ-CB 3.53Å; F262-R539 HydrophobicContact CZ-CG 3.6Å; C266-R539 HydrophobicContact CB-CG 3.74Å; C266-R539 VanDerWaalsContact O-CZ 3.29Å; C266-R539 PolarHBondContact O-NE 2.99Å; C266-R539 PolarHBondContact O-NH2 2.89Å; Y283-R539 VanDerWaalsContact CE1-CZ 3.4Å; R539-L541 HydrophobicContact CG-CD2 4.36Å; R539-L541 PolarHBondContact O-N 2.67Å; R539-S546 WeakPolarHBondContact O-CB 3.36Å; R539-S546 PolarHBondContact O-OG 3.08Å; R539-V548 HydrophobicContact CB-CB 4.45Å; R539-V548 PolarHBondContact N-O 2.96Å
540	A	88.1	Confident	88.6	Confident	53 Å²	53	39.5 Å²	39.5	44%	0.438	23%	0.229	S	C	.	.			trans	-73.6	84.5	-172.6	0	0	0	0	0	111.9	W538	W538-A540 PolarHBondContact O-N 3.1Å
541	L	84.8	Confident	89.4	Confident	43 Å²	43	33.4 Å²	33.4	23%	0.225	20%	0.196	C	C	.	.			trans	-61.9	147	178.9	-64.9	175.4	0	0	0	112	C266 R539 D543 G544	C266-L541 HydrophobicContact CB-CD2 3.87Å; R539-L541 HydrophobicContact CG-CD2 4.36Å; R539-L541 PolarHBondContact O-N 2.67Å; L541-D543 WeakPolarHBondContact CB-OD1 3.01Å; L541-D543 PolarHBondContact O-N 2.87Å; L541-D543 VanDerWaalsContact O-N 3.13Å; L541-G544 PolarHBondContact O-N 2.93Å
542	P	74.1	Confident	89.7	Confident	120 Å²	120	32.4 Å²	32.4	78%	0.779	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.6	-177.3	-25.2	35.5	0	0	0	116
543	D	71.9	Confident	89.7	Confident	128 Å²	128	31.3 Å²	31.3	68%	0.684	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.6	174	57	4	0	0	0	113.5	L541 E545	L541-D543 WeakPolarHBondContact CB-OD1 3.01Å; L541-D543 PolarHBondContact O-N 2.87Å; L541-D543 VanDerWaalsContact O-N 3.13Å; D543-E545 VanDerWaalsContact C-N 3.33Å; D543-E545 PolarHBondContact O-N 3.06Å
544	G	60.7	Low	89.5	Confident	44 Å²	44	32.1 Å²	32.1	45%	0.454	19%	0.192	S	C	.	.	S	Bend	trans	86.1	-20.6	168.7	0	0	0	0	0	116.3	L541 S546	L541-G544 PolarHBondContact O-N 2.93Å; G544-S546 PolarHBondContact O-N 3.28Å; G544-S546 VanDerWaalsContact O-N 3.14Å
545	E	63.5	Low	89.3	Confident	127 Å²	127	34.2 Å²	34.2	59%	0.593	20%	0.202	S	C	*	.			trans	-89.9	61.2	-175.8	-81.6	-82.5	127.5	0	0	112.2	R234 D543	R234-E545 IonicContact CZ-OE1 3.97Å; R234-E545 IonicContact CZ-OE2 2.65Å; R234-E545 IonicContact NH1-OE1 3.77Å; R234-E545 PolarHBondContact NH1-OE1 2.83Å; R234-E545 IonicContact NH1-OE2 3.59Å; R234-E545 PolarHBondContact NH1-OE2 3.25Å; R234-E545 VanDerWaalsContact NH2-CD 3.32Å; R234-E545 IonicContact NH2-OE1 3.55Å; R234-E545 PolarHBondContact NH2-OE1 3.03Å; R234-E545 IonicContact NH2-OE2 3.28Å; R234-E545 PolarHBondContact NH2-OE2 3.46Å; D543-E545 VanDerWaalsContact C-N 3.33Å; D543-E545 PolarHBondContact O-N 3.06Å
546	S	80.8	Confident	89	Confident	8 Å²	8	34.1 Å²	34.1	6%	0.056	20%	0.201	C	C	.	.			trans	-104.5	118.4	174	-175.5	0	0	0	0	113.4	N484 R539 G544 V548	N484-S546 PolarHBondContact ND2-O 3.1Å; R539-S546 WeakPolarHBondContact O-CB 3.36Å; R539-S546 PolarHBondContact O-OG 3.08Å; G544-S546 PolarHBondContact O-N 3.28Å; G544-S546 VanDerWaalsContact O-N 3.14Å; S546-V548 VanDerWaalsContact C-N 3.34Å; S546-V548 PolarHBondContact OG-N 2.8Å
547	N	92	Very high	88.8	Confident	53 Å²	53	34.8 Å²	34.8	28%	0.283	21%	0.205	S	C	.	.			trans	-90.9	7.3	174.4	-56.6	1.2	0	0	0	112.3	R234 Y235 L563	R234-N547 PolarHBondContact NH2-OD1 2.98Å; Y235-N547 HydrophobicContact CE1-CB 4.26Å; Y235-N547 PolarHBondContact OH-OD1 2.92Å; N547-L563 HydrophobicContact CB-CB 4.4Å; N547-L563 WeakPolarHBondContact O-CG 3.34Å; N547-L563 PolarHBondContact O-N 3.36Å
548	V	96	Very high	88.7	Confident	17 Å²	17	34.5 Å²	34.5	10%	0.103	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.9	-170.6	-179.1	0	0	0	0	112.6	L241 Y283 R539 S546 V560 L561 E562	L241-V548 HydrophobicContact CD1-CG2 4.44Å; Y283-V548 HydrophobicContact CE2-CG1 4.31Å; R539-V548 HydrophobicContact CB-CB 4.45Å; R539-V548 PolarHBondContact N-O 2.96Å; S546-V548 VanDerWaalsContact C-N 3.34Å; S546-V548 PolarHBondContact OG-N 2.8Å; V548-V560 HydrophobicContact CG1-CG1 3.83Å; V548-L561 WeakPolarHBondContact CA-O 3.34Å; V548-E562 HydrophobicContact CG2-CB 4.42Å
549	L	97.2	Very high	88.7	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	160	171.9	62.2	85.6	0	0	0	111.1	A489 L497 C537 W538 A551 L561	A489-L549 HydrophobicContact CB-CD2 4.24Å; L497-L549 HydrophobicContact CD2-CD1 3.57Å; L497-L549 HydrophobicContact CD2-CD2 4.29Å; C537-L549 CarbonylContact O-C 3.49Å; C537-L549 VanDerWaalsContact O-CA 3.29Å; C537-L549 WeakPolarHBondContact O-CA 3.31Å; C537-L549 VanDerWaalsContact O-CB 3.3Å; C537-L549 WeakPolarHBondContact O-CB 3.39Å; W538-L549 HydrophobicContact CD2-CB 4.09Å; W538-L549 HydrophobicContact CD2-CD2 4.28Å; W538-L549 HydrophobicContact CE3-CB 3.93Å; W538-L549 HydrophobicContact CE3-CD2 4.12Å; W538-L549 HydrophobicContact CG-CB 4.44Å; W538-L549 HydrophobicContact CH2-CD2 4.05Å; W538-L549 HydrophobicContact CZ2-CD2 4.17Å; W538-L549 HydrophobicContact CZ3-CD2 4Å; L549-A551 HydrophobicContact CD1-CB 4.26Å; L549-L561 HydrophobicContact CD1-CB 3.9Å; L549-L561 HydrophobicContact CD1-CD1 3.9Å; L549-L561 HydrophobicContact CD1-CG 4.37Å; L549-L561 HydrophobicContact CG-CB 4.36Å; L549-L561 PolarHBondContact N-O 2.85Å; L549-L561 PolarHBondContact O-N 2.94Å
550	I	98.4	Very high	88.7	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.2	169.1	-52.8	-174.8	0	0	0	108.1	I260 F262 F269 V536 C537 I558 K559 V560	I260-I550 HydrophobicContact CD1-CG2 3.93Å; I260-I550 HydrophobicContact CG2-CB 4.31Å; I260-I550 HydrophobicContact CG2-CG2 4.3Å; F262-I550 HydrophobicContact CE1-CD1 4.3Å; F262-I550 HydrophobicContact CE2-CD1 3.8Å; F262-I550 HydrophobicContact CE2-CG1 3.9Å; F262-I550 HydrophobicContact CZ-CD1 3.44Å; F262-I550 VanDerWaalsContact CZ-CD1 3.44Å; F262-I550 HydrophobicContact CZ-CG1 3.84Å; F269-I550 HydrophobicContact CB-CD1 4.16Å; F269-I550 HydrophobicContact CD1-CD1 3.51Å; F269-I550 HydrophobicContact CD2-CD1 3.83Å; F269-I550 HydrophobicContact CE1-CD1 3.74Å; F269-I550 HydrophobicContact CE2-CD1 4.07Å; F269-I550 HydrophobicContact CG-CD1 3.55Å; F269-I550 HydrophobicContact CZ-CD1 4.01Å; V536-I550 CarbonylContact C-O 3.57Å; V536-I550 WeakPolarHBondContact CA-O 3.4Å; C537-I550 PolarHBondContact N-O 3.26Å; C537-I550 PolarHBondContact O-N 2.84Å; I550-I558 HydrophobicContact CG2-CG2 3.55Å; I550-K559 WeakPolarHBondContact CA-O 3.46Å; I550-V560 HydrophobicContact CD1-CG2 4.19Å; I550-V560 HydrophobicContact CG1-CG1 4.42Å; I550-V560 HydrophobicContact CG1-CG2 4.14Å
551	A	98.5	Very high	89.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.3	174.3	0	0	0	0	0	110.6	L497 F513 A535 V536 L549 I558 K559 L561	L497-A551 HydrophobicContact CD1-CB 4.23Å; L497-A551 HydrophobicContact CD2-CB 4.34Å; F513-A551 HydrophobicContact CE2-CB 4.2Å; F513-A551 HydrophobicContact CZ-CB 3.82Å; A535-A551 CarbonylContact O-C 3.6Å; A535-A551 WeakPolarHBondContact O-CA 3.28Å; V536-A551 HydrophobicContact CG1-CB 4.02Å; L549-A551 HydrophobicContact CD1-CB 4.26Å; A551-I558 CarbonylContact O-C 3.56Å; A551-I558 WeakPolarHBondContact O-CA 3.27Å; A551-K559 PolarHBondContact N-O 2.05Å; A551-K559 PolarHBondContact O-N 3.38Å; A551-L561 HydrophobicContact CB-CD1 4.2Å
552	A	98.1	Very high	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.1	174.3	0	0	0	0	0	112.5	V257 I260 S534 A535 T557 I558	V257-A552 HydrophobicContact CB-CB 3.84Å; V257-A552 HydrophobicContact CG1-CB 4.02Å; V257-A552 HydrophobicContact CG2-CB 3.92Å; I260-A552 HydrophobicContact CD1-CB 3.78Å; S534-A552 PolarHBondContact N-O 3.31Å; S534-A552 PolarHBondContact OG-O 3.42Å; A535-A552 PolarHBondContact N-O 2.77Å; A535-A552 PolarHBondContact O-N 3.3Å; A552-T557 CarbonylContact C-O 3.58Å; A552-T557 WeakPolarHBondContact CA-O 3.33Å; A552-T557 WeakPolarHBondContact CB-O 3.46Å; A552-I558 HydrophobicContact CB-CB 4.18Å; A552-I558 HydrophobicContact CB-CG1 3.71Å; A552-I558 HydrophobicContact CB-CG2 4.41Å
553	N	96.3	Very high	90.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	178	-176.3	78.2	0.3	0	0	0	114.1	N495 F513 F532 V533 S534 Q555 G556 T557	N495-N553 PolarHBondContact ND2-ND2 3.41Å; N495-N553 WeakPolarHBondContact OD1-CB 3.26Å; N495-N553 PolarHBondContact OD1-ND2 3.13Å; F513-N553 HydrophobicContact CD1-CB 4.25Å; F513-N553 HydrophobicContact CE1-CB 4.46Å; F532-N553 CarbonylContact O-C 3.59Å; F532-N553 VanDerWaalsContact O-CA 3.31Å; F532-N553 WeakPolarHBondContact O-CA 3.19Å; F532-N553 WeakPolarHBondContact O-CB 3.23Å; V533-N553 HydrophobicContact CG2-CB 4.48Å; S534-N553 PolarHBondContact OG-O 3.15Å; N553-Q555 PolarHBondContact O-N 2.99Å; N553-Q555 WeakPolarHBondContact OD1-CB 3.39Å; N553-Q555 PolarHBondContact OD1-N 2.9Å; N553-Q555 VanDerWaalsContact OD1-N 3.08Å; N553-G556 WeakPolarHBondContact O-CA 3.2Å; N553-G556 PolarHBondContact O-N 3.37Å; N553-G556 PolarHBondContact OD1-N 3.07Å; N553-T557 PolarHBondContact N-O 3.25Å; N553-T557 WeakPolarHBondContact OD1-CB 2.98Å; N553-T557 PolarHBondContact OD1-N 3.38Å; N553-T557 PolarHBondContact OD1-O 2.74Å
554	S	94.3	Very high	91.3	Very high	17 Å²	17	22 Å²	22	12%	0.119	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.3	-179.7	60.3	0	0	0	0	114.8	I256 E531 F532	I256-S554 WeakPolarHBondContact CG1-O 3.37Å; E531-S554 WeakPolarHBondContact CA-OG 3.44Å; F532-S554 PolarHBondContact N-OG 2.85Å; F532-S554 VanDerWaalsContact N-OG 3.1Å; F532-S554 PolarHBondContact O-N 2.94Å; F532-S554 PolarHBondContact O-OG 2.96Å
555	Q	92	Very high	92.8	Very high	46 Å²	46	21 Å²	21	22%	0.215	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.9	169.2	-60	-167.1	-33.2	0	0	112.3	S255 V516 E531 N553 T557	S255-Q555 WeakPolarHBondContact CB-O 3.39Å; S255-Q555 PolarHBondContact OG-O 3.49Å; V516-Q555 PolarHBondContact O-NE2 2.73Å; E531-Q555 HydrophobicContact CG-CG 4.26Å; E531-Q555 PolarHBondContact OE1-NE2 3.44Å; N553-Q555 PolarHBondContact O-N 2.99Å; N553-Q555 WeakPolarHBondContact OD1-CB 3.39Å; N553-Q555 PolarHBondContact OD1-N 2.9Å; N553-Q555 VanDerWaalsContact OD1-N 3.08Å; Q555-T557 VanDerWaalsContact C-N 3.32Å
556	G	92.9	Very high	94.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.			trans	80.9	10.4	-172.2	0	0	0	0	0	113.9	Y246 S255 N553 I558	Y246-G556 WeakPolarHBondContact CB-O 3.43Å; Y246-G556 PolarHBondContact N-O 3.17Å; S255-G556 WeakPolarHBondContact O-CA 3.18Å; S255-G556 PolarHBondContact O-N 3.47Å; N553-G556 WeakPolarHBondContact O-CA 3.2Å; N553-G556 PolarHBondContact O-N 3.37Å; N553-G556 PolarHBondContact OD1-N 3.07Å; G556-I558 PolarHBondContact O-N 3.13Å
557	T	94.2	Very high	95.1	Very high	21 Å²	21	15.8 Å²	15.8	13%	0.129	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.5	169.2	-54.4	0	0	0	0	108.8	T243 F513 A552 N553 Q555	T243-T557 HydrophobicContact CG2-CG2 4.02Å; F513-T557 HydrophobicContact CD1-CG2 4.2Å; F513-T557 HydrophobicContact CE1-CG2 4.47Å; A552-T557 CarbonylContact C-O 3.58Å; A552-T557 WeakPolarHBondContact CA-O 3.33Å; A552-T557 WeakPolarHBondContact CB-O 3.46Å; N553-T557 PolarHBondContact N-O 3.25Å; N553-T557 WeakPolarHBondContact OD1-CB 2.98Å; N553-T557 PolarHBondContact OD1-N 3.38Å; N553-T557 PolarHBondContact OD1-O 2.74Å; Q555-T557 VanDerWaalsContact C-N 3.32Å
558	I	96.1	Very high	95.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139	176.9	-54.9	142.6	0	0	0	107.5	T243 L244 V257 I271 I550 A551 A552 G556	T243-I558 CarbonylContact C-O 3.58Å; T243-I558 VanDerWaalsContact CA-O 3.3Å; T243-I558 WeakPolarHBondContact CA-O 3.3Å; L244-I558 HydrophobicContact CB-CB 4.12Å; L244-I558 HydrophobicContact CB-CD1 3.96Å; L244-I558 HydrophobicContact CD1-CB 4.2Å; L244-I558 HydrophobicContact CD1-CG2 3.91Å; L244-I558 PolarHBondContact N-O 2.79Å; L244-I558 PolarHBondContact O-N 2.83Å; V257-I558 HydrophobicContact CG2-CG1 4.35Å; I271-I558 HydrophobicContact CD1-CB 4.48Å; I271-I558 HydrophobicContact CD1-CD1 3.49Å; I271-I558 VanDerWaalsContact CD1-CD1 3.49Å; I271-I558 HydrophobicContact CD1-CG1 3.9Å; I271-I558 HydrophobicContact CD1-CG2 3.86Å; I271-I558 HydrophobicContact CG2-CD1 4.44Å; I550-I558 HydrophobicContact CG2-CG2 3.55Å; A551-I558 CarbonylContact O-C 3.56Å; A551-I558 WeakPolarHBondContact O-CA 3.27Å; A552-I558 HydrophobicContact CB-CB 4.18Å; A552-I558 HydrophobicContact CB-CG1 3.71Å; A552-I558 HydrophobicContact CB-CG2 4.41Å; G556-I558 PolarHBondContact O-N 3.13Å
559	K	96.7	Very high	95.3	Very high	14 Å²	14	13.4 Å²	13.4	6%	0.061	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.2	171.3	-67.8	-177	-175.8	-84.5	0	110.9	A242 T243 F511 F513 D514 I550 A551 L561	A242-K559 WeakPolarHBondContact O-CA 3.42Å; T243-K559 HydrophobicContact CG2-CG 4.09Å; T243-K559 PolarHBondContact OG1-NZ 2.85Å; T243-K559 VanDerWaalsContact OG1-NZ 3.17Å; F511-K559 HydrophobicContact CE1-CD 3.78Å; F511-K559 HydrophobicContact CZ-CD 3.64Å; F513-K559 HydrophobicContact CD1-CD 4.28Å; F513-K559 HydrophobicContact CE1-CB 4.31Å; F513-K559 HydrophobicContact CE1-CD 4.19Å; F513-K559 HydrophobicContact CE1-CG 4.08Å; D514-K559 WeakPolarHBondContact OD2-CE 3.37Å; D514-K559 IonicContact OD2-NZ 3.39Å; D514-K559 PolarHBondContact OD2-NZ 3.04Å; I550-K559 WeakPolarHBondContact CA-O 3.46Å; A551-K559 PolarHBondContact N-O 2.05Å; A551-K559 PolarHBondContact O-N 3.38Å; K559-L561 HydrophobicContact CB-CD2 3.88Å; K559-L561 HydrophobicContact CB-CG 4.13Å
560	V	97.3	Very high	95.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	165.6	-174.3	0	0	0	0	107.2	P240 L241 A242 L244 Y283 V286 I287 V548 I550	P240-V560 WeakPolarHBondContact CA-O 3.33Å; L241-V560 HydrophobicContact CB-CB 4.27Å; L241-V560 HydrophobicContact CB-CG1 4.17Å; L241-V560 HydrophobicContact CD1-CG1 4.18Å; L241-V560 PolarHBondContact N-O 3.17Å; A242-V560 HydrophobicContact CB-CB 4.23Å; A242-V560 HydrophobicContact CB-CG2 4.03Å; A242-V560 PolarHBondContact O-N 3.47Å; L244-V560 HydrophobicContact CD1-CG2 4.32Å; Y283-V560 HydrophobicContact CE2-CG1 3.9Å; V286-V560 HydrophobicContact CG1-CG2 4.08Å; I287-V560 HydrophobicContact CG2-CG1 4.04Å; V548-V560 HydrophobicContact CG1-CG1 3.83Å; I550-V560 HydrophobicContact CD1-CG2 4.19Å; I550-V560 HydrophobicContact CG1-CG1 4.42Å; I550-V560 HydrophobicContact CG1-CG2 4.14Å
561	L	97.2	Very high	94.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.7	-167.5	-61	175.7	0	0	0	110.9	V238 P240 L497 F511 V548 L549 A551 K559	V238-L561 HydrophobicContact CG1-CB 3.83Å; V238-L561 HydrophobicContact CG1-CD1 4.4Å; V238-L561 HydrophobicContact CG1-CD2 4.1Å; V238-L561 HydrophobicContact CG1-CG 4.33Å; P240-L561 HydrophobicContact CB-CD2 4.22Å; P240-L561 HydrophobicContact CG-CD2 4.1Å; L497-L561 HydrophobicContact CD2-CD1 3.7Å; F511-L561 HydrophobicContact CD1-CD1 3.75Å; F511-L561 HydrophobicContact CD1-CD2 4.2Å; F511-L561 HydrophobicContact CD2-CD2 4.23Å; F511-L561 HydrophobicContact CE1-CD1 4.13Å; F511-L561 HydrophobicContact CE1-CD2 3.97Å; F511-L561 HydrophobicContact CE2-CD2 3.99Å; F511-L561 HydrophobicContact CG-CD1 4.13Å; F511-L561 HydrophobicContact CG-CD2 4.35Å; F511-L561 HydrophobicContact CZ-CD2 3.86Å; V548-L561 WeakPolarHBondContact CA-O 3.34Å; L549-L561 HydrophobicContact CD1-CB 3.9Å; L549-L561 HydrophobicContact CD1-CD1 3.9Å; L549-L561 HydrophobicContact CD1-CG 4.37Å; L549-L561 HydrophobicContact CG-CB 4.36Å; L549-L561 PolarHBondContact N-O 2.85Å; L549-L561 PolarHBondContact O-N 2.94Å; A551-L561 HydrophobicContact CB-CD1 4.2Å; K559-L561 HydrophobicContact CB-CD2 3.88Å; K559-L561 HydrophobicContact CB-CG 4.13Å
562	E	95.8	Very high	94.6	Very high	54 Å²	54	16.3 Å²	16.3	25%	0.252	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.5	174.2	174.7	180	-116.8	0	0	110.4	V238 R239 L241 V548 V564	V238-E562 CarbonylContact C-O 3.59Å; V238-E562 WeakPolarHBondContact CA-O 3.43Å; R239-E562 HydrophobicContact CB-CB 4.38Å; R239-E562 WeakPolarHBondContact CD-OE2 3.46Å; R239-E562 IonicContact CZ-OE2 2.66Å; R239-E562 PolarHBondContact N-O 3.47Å; R239-E562 IonicContact NE-OE2 3.3Å; R239-E562 IonicContact NH1-OE2 3.46Å; R239-E562 PolarHBondContact NH1-OE2 2.86Å; R239-E562 PolarHBondContact O-N 2.9Å; L241-E562 HydrophobicContact CD1-CB 4.1Å; L241-E562 HydrophobicContact CD2-CB 3.93Å; L241-E562 HydrophobicContact CG-CB 3.97Å; V548-E562 HydrophobicContact CG2-CB 4.42Å; E562-V564 HydrophobicContact CG-CG2 3.93Å
563	L	93.3	Very high	94.3	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.4	172.9	-56.3	-176.7	0	0	0	111	Y235 V238 L499 L509 W538 N547	Y235-L563 HydrophobicContact CD1-CB 3.56Å; Y235-L563 HydrophobicContact CD2-CB 4.21Å; Y235-L563 HydrophobicContact CD2-CD1 3.84Å; Y235-L563 HydrophobicContact CE1-CB 3.8Å; Y235-L563 HydrophobicContact CE2-CB 4.39Å; Y235-L563 HydrophobicContact CE2-CD1 3.88Å; Y235-L563 HydrophobicContact CG-CB 3.8Å; Y235-L563 HydrophobicContact CG-CD1 4.24Å; V238-L563 HydrophobicContact CG1-CD2 4.35Å; V238-L563 HydrophobicContact CG2-CD2 3.81Å; L499-L563 HydrophobicContact CD1-CD1 4.42Å; L499-L563 HydrophobicContact CD2-CD1 3.59Å; L499-L563 HydrophobicContact CD2-CD2 4.2Å; L509-L563 HydrophobicContact CD1-CD2 4.42Å; L509-L563 HydrophobicContact CD2-CD2 4.35Å; W538-L563 HydrophobicContact CH2-CD1 3.58Å; W538-L563 HydrophobicContact CZ3-CD1 3.76Å; N547-L563 HydrophobicContact CB-CB 4.4Å; N547-L563 WeakPolarHBondContact O-CG 3.34Å; N547-L563 PolarHBondContact O-N 3.36Å
564	V	85.9	Confident	94.1	Very high	56 Å²	56	19.3 Å²	19.3	34%	0.339	10%	0.103	S	C	.	.			trans	-136	0	-170.2	-168	0	0	0	0	111.2	N236 S237 R239 E562	N236-V564 CarbonylContact C-O 3.58Å; N236-V564 PolarHBondContact N-O 3.14Å; N236-V564 VanDerWaalsContact ND2-C 3.3Å; N236-V564 PolarHBondContact ND2-O 3.07Å; N236-V564 VanDerWaalsContact ND2-O 3.07Å; N236-V564 PolarHBondContact ND2-OXT 2.93Å; S237-V564 PolarHBondContact N-O 2.86Å; S237-V564 PolarHBondContact O-N 3.39Å; S237-V564 VanDerWaalsContact O-N 3.13Å; R239-V564 HydrophobicContact CB-CG2 4.14Å; E562-V564 HydrophobicContact CG-CG2 3.93Å

Retrieved 564 of 564 residues in 294.9 ms (Link to these results)

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