X5DNY7_HUMAN Loading...

E3 ubiquitin-protein ligase COP1

AlphaFold DB , UniProt , Accession X5DNY7, Species HUMAN (Homo sapiens, Human), Gene RFWD2, Length 708 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	31.7	Very low	240 Å²	240	129.2 Å²	129.2	100%	1.182	83%	0.828	S	S	*	*				0	132.1	0	-66.7	163.4	166.7	0	0	107.4
2	S	34.3	Very low	31.4	Very low	118 Å²	118	126.3 Å²	126.3	83%	0.825	83%	0.825	S	S	*	*			cis	-179.4	138.5	-21.2	28.9	0	0	0	0	108
3	G	33.1	Very low	31.1	Very low	73 Å²	73	122.3 Å²	122.3	75%	0.753	82%	0.82	S	S	*	*			trans	104.8	77	167.7	0	0	0	0	0	117.3
4	S	36.7	Very low	31	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	83%	0.826	S	S	*	*				29.3	135.2	122.9	-53	0	0	0	0	122.9
5	R	33.8	Very low	30.9	Very low	222 Å²	222	123.3 Å²	123.3	84%	0.838	82%	0.823	S	S	*	*			trans	86	99.4	140.6	-75.7	178.8	179.1	-173.4	-1.3	121.9
6	Q	32.9	Very low	31.8	Very low	171 Å²	171	123.6 Å²	123.6	80%	0.799	82%	0.824	S	S	*	*				80.2	123.5	100.5	-164.1	170.5	13.1	0	0	121.2
7	A	33.3	Very low	31.5	Very low	104 Å²	104	120.2 Å²	120.2	86%	0.86	82%	0.815	S	S	*	*			trans	73.6	125.2	156.1	0	0	0	0	0	120.3
8	G	27.8	Very low	31.3	Very low	64 Å²	64	120.1 Å²	120.1	66%	0.66	82%	0.815	S	S	*	*			trans	165.2	124.3	165.5	0	0	0	0	0	113.1
9	S	29.2	Very low	31.2	Very low	131 Å²	131	119.4 Å²	119.4	92%	0.916	81%	0.812	S	S	*	*			trans	50.8	164.8	164.1	49.5	0	0	0	0	119.8
10	G	26.1	Very low	31	Very low	59 Å²	59	118.4 Å²	118.4	61%	0.608	81%	0.812	S	S	*	*			cis	128	104.9	-12	0	0	0	0	0	114.9
11	S	27.4	Very low	30.8	Very low	126 Å²	126	117.1 Å²	117.1	88%	0.881	81%	0.81	S	S	*	*			trans	67.6	155.9	157.3	69.5	0	0	0	0	121.3
12	A	28.1	Very low	30.4	Very low	95 Å²	95	110.8 Å²	110.8	79%	0.785	79%	0.789	S	S	*	*			trans	70.1	80.8	155.5	0	0	0	0	0	120.6
13	G	27	Very low	30.1	Very low	74 Å²	74	110.1 Å²	110.1	76%	0.763	79%	0.785	S	S	*	*				75.6	138.8	101.1	0	0	0	0	0	121.6
14	T	29.5	Very low	30	Very low	148 Å²	148	112.6 Å²	112.6	91%	0.908	79%	0.785	S	S	*	*			trans	-157.3	123.9	145.6	18.7	0	0	0	0	110.1
15	S	30.1	Very low	29.6	Very low	112 Å²	112	113.3 Å²	113.3	78%	0.783	78%	0.784	S	S	*	*			trans	-81.3	163.8	162.7	-45.9	0	0	0	0	109.3
16	P	44.5	Very low	29.4	Very low	128 Å²	128	108.9 Å²	108.9	83%	0.831	79%	0.787	S	S	*	*				-150.6	159.2	80.8	38.7	-20.7	0	0	0	117
17	G	27.7	Very low	29.2	Very low	65 Å²	65	104.8 Å²	104.8	67%	0.67	78%	0.783	S	S	*	*				88.3	96.8	126.4	0	0	0	0	0	121.6
18	S	28.4	Very low	29.1	Very low	118 Å²	118	105.5 Å²	105.5	83%	0.825	78%	0.782	S	S	*	*				90	158	125.3	80.4	0	0	0	0	123.1
19	S	27.9	Very low	29.2	Very low	108 Å²	108	108.7 Å²	108.7	76%	0.755	79%	0.794	S	S	*	*			trans	72.9	91.3	163.8	56.2	0	0	0	0	122
20	A	27.1	Very low	29.2	Very low	98 Å²	98	107.6 Å²	107.6	81%	0.81	79%	0.786	S	S	*	*				63	120.7	110.3	0	0	0	0	0	124.1
21	A	26.8	Very low	29.4	Very low	92 Å²	92	112.7 Å²	112.7	76%	0.76	80%	0.799	S	S	*	*			trans	76.8	173.3	132.2	0	0	0	0	0	121.2
22	S	27.9	Very low	29.6	Very low	108 Å²	108	111.6 Å²	111.6	76%	0.755	79%	0.791	S	S	*	*			trans	66.6	118.2	-167.5	62.1	0	0	0	0	114.6
23	S	28	Very low	29.6	Very low	104 Å²	104	112.9 Å²	112.9	73%	0.727	79%	0.794	S	S	*	*				75.9	149.4	57.9	79.4	0	0	0	0	112.8
24	V	29.8	Very low	29.9	Very low	124 Å²	124	114.8 Å²	114.8	75%	0.752	80%	0.796	S	S	*	*			cis	-149.8	166.8	28.2	-135.6	0	0	0	0	113.3
25	T	28.3	Very low	30.5	Very low	128 Å²	128	113.8 Å²	113.8	79%	0.785	79%	0.792	S	S	*	*			trans	-6.9	146.6	156.6	52.2	0	0	0	0	121.4
26	S	30.4	Very low	30.6	Very low	129 Å²	129	113.7 Å²	113.7	90%	0.902	79%	0.791	S	S	*	*			trans	-134.1	136.2	137.1	62.8	0	0	0	0	110.7
27	A	29.1	Very low	30.6	Very low	85 Å²	85	112.9 Å²	112.9	70%	0.702	79%	0.786	S	S	*	*			trans	-150.6	150	-179	0	0	0	0	0	111.4
28	S	29.8	Very low	31	Very low	120 Å²	120	115.8 Å²	115.8	84%	0.839	79%	0.793	S	S	*	*			trans	46.7	113.4	160.1	60.1	0	0	0	0	119.7
29	S	30.1	Very low	31.2	Very low	130 Å²	130	115.5 Å²	115.5	91%	0.909	79%	0.791	S	S	*	*			trans	-138.7	138.3	130.7	62.2	0	0	0	0	109.7
30	S	30.2	Very low	31.3	Very low	109 Å²	109	117 Å²	117	76%	0.762	80%	0.795	S	S	*	*			trans	-133.6	146.8	-175	56.1	0	0	0	0	109.6
31	L	30.1	Very low	31.2	Very low	166 Å²	166	116.1 Å²	116.1	87%	0.869	79%	0.788	S	S	*	*			trans	178.6	98.9	160	-91.9	152.6	0	0	0	105
32	S	31	Very low	31.3	Very low	103 Å²	103	117.8 Å²	117.8	72%	0.72	79%	0.789	S	S	*	*				77.2	94.8	70	76.5	0	0	0	0	115.2
33	S	28.6	Very low	31.3	Very low	122 Å²	122	118.9 Å²	118.9	85%	0.853	80%	0.796	S	S	*	*			trans	-162.7	126.5	149.9	47.9	0	0	0	0	111.4
34	S	33.4	Very low	31.3	Very low	114 Å²	114	118.6 Å²	118.6	80%	0.797	80%	0.8	S	S	*	*			trans	-80.2	157	162.4	-48.4	0	0	0	0	109.3
35	P	40.4	Very low	31.3	Very low	126 Å²	126	117.7 Å²	117.7	82%	0.818	81%	0.806	S	S	*	*				-144	173	101.6	38.3	-24.3	0	0	0	115.3
36	S	32.9	Very low	31.3	Very low	111 Å²	111	115.9 Å²	115.9	78%	0.776	80%	0.804	S	S	*	*			trans	-83.8	179.3	-179.2	-44	0	0	0	0	112.3
37	P	44.6	Very low	31.3	Very low	111 Å²	111	118.4 Å²	118.4	72%	0.721	81%	0.806	S	S	*	*			trans	-90.8	166.6	-155.4	37.5	-38.8	0	0	0	115.7
38	P	36.7	Very low	31.3	Very low	125 Å²	125	120.7 Å²	120.7	81%	0.812	81%	0.811	S	S	*	*			trans	-86.9	136.3	160.4	34.5	-30.7	0	0	0	111.8
39	S	32.7	Very low	31.4	Very low	112 Å²	112	120.9 Å²	120.9	78%	0.783	81%	0.813	S	S	*	*			trans	-132.2	82.8	176.7	61	0	0	0	0	111.5
40	V	28.9	Very low	31.3	Very low	140 Å²	140	118.6 Å²	118.6	85%	0.848	81%	0.809	S	S	*	*			trans	-154.9	144.3	-178.6	-158.3	0	0	0	0	108.3
41	A	25.7	Very low	31.2	Very low	80 Å²	80	117.3 Å²	117.3	66%	0.661	81%	0.814	S	S	*	*			cis	-164.3	167	-36.1	0	0	0	0	0	107.9
42	V	28	Very low	31.2	Very low	127 Å²	127	116.5 Å²	116.5	77%	0.77	82%	0.815	S	S	*	*			trans	24.7	120	151.6	-178.3	0	0	0	0	118.6
43	S	28.4	Very low	31.2	Very low	131 Å²	131	116.2 Å²	116.2	92%	0.916	82%	0.819	S	S	*	*			trans	-143.5	110.9	135.7	-80	0	0	0	0	109.3
44	A	27.7	Very low	31.3	Very low	97 Å²	97	119.8 Å²	119.8	80%	0.802	82%	0.822	S	S	*	*			trans	-96.5	134.2	176.8	0	0	0	0	0	109.7
45	A	29.7	Very low	31.1	Very low	106 Å²	106	118.8 Å²	118.8	88%	0.876	82%	0.821	S	S	*	*			trans	-123.2	100.5	167.8	0	0	0	0	0	107.7
46	A	28.7	Very low	30.7	Very low	90 Å²	90	117.8 Å²	117.8	74%	0.744	82%	0.823	S	S	*	*			trans	-87.5	139.6	175.6	0	0	0	0	0	110.3
47	L	29.9	Very low	30.5	Very low	182 Å²	182	115.7 Å²	115.7	95%	0.953	82%	0.819	S	S	*	*			trans	-127.8	142.8	155.5	-92.2	172.1	0	0	0	108.6
48	V	29.9	Very low	29.9	Very low	133 Å²	133	116.4 Å²	116.4	81%	0.806	83%	0.827	S	S	*	*			trans	-122.1	118.8	-160.2	175.9	0	0	0	0	111.4
49	S	31	Very low	29.6	Very low	124 Å²	124	114.6 Å²	114.6	87%	0.867	83%	0.83	S	S	*	*			trans	-174.2	143.6	150.6	45.9	0	0	0	0	108.5
50	G	28.3	Very low	29.4	Very low	81 Å²	81	113.1 Å²	113.1	84%	0.835	83%	0.833	S	S	*	*			cis	146.5	98.4	-5.3	0	0	0	0	0	110.5
51	G	28.3	Very low	29.5	Very low	83 Å²	83	115.5 Å²	115.5	86%	0.856	84%	0.84	S	S	*	*			trans	-178.7	95.9	-175.4	0	0	0	0	0	114.2
52	V	30.3	Very low	29.6	Very low	148 Å²	148	115.5 Å²	115.5	90%	0.897	85%	0.848	S	S	*	*			trans	-76.7	138.1	-175	174.6	0	0	0	0	113.2
53	A	32	Very low	29.7	Very low	97 Å²	97	113 Å²	113	80%	0.802	85%	0.848	S	S	*	*			trans	-162.3	143.9	144.3	0	0	0	0	0	111.7
54	Q	29.6	Very low	30.6	Very low	197 Å²	197	113 Å²	113	92%	0.921	84%	0.844	S	S	*	*			trans	-132.9	141	177.7	-76.2	-176.3	-31.9	0	0	112.2
55	A	30.6	Very low	30.7	Very low	93 Å²	93	115 Å²	115	77%	0.769	85%	0.847	S	S	*	*			trans	-171	126	142.6	0	0	0	0	0	106.4
56	A	31.5	Very low	30.7	Very low	106 Å²	106	121.3 Å²	121.3	88%	0.876	85%	0.848	S	S	*	*				61.5	119.2	58	0	0	0	0	0	112.3
57	G	29.1	Very low	31.2	Very low	66 Å²	66	122.1 Å²	122.1	68%	0.68	85%	0.845	S	S	*	*			cis	179.4	-176.2	-2.4	0	0	0	0	0	110.3
58	S	31.5	Very low	31.1	Very low	127 Å²	127	119.7 Å²	119.7	89%	0.888	84%	0.838	S	S	*	*			trans	33.9	121.5	163.8	56.1	0	0	0	0	119.1
59	G	29.1	Very low	31	Very low	86 Å²	86	120.9 Å²	120.9	89%	0.887	84%	0.839	S	S	*	*			cis	103.2	124.3	37.3	0	0	0	0	0	110.3
60	G	28.8	Very low	30.8	Very low	81 Å²	81	122 Å²	122	84%	0.835	84%	0.84	S	S	*	*			trans	171.9	141.9	-179.2	0	0	0	0	0	113.3
61	L	31.2	Very low	30.7	Very low	190 Å²	190	122.3 Å²	122.3	100%	0.995	84%	0.835	S	S	*	*			trans	-104	145.5	178.7	-68.5	160.8	0	0	0	110
62	G	28.8	Very low	31.4	Very low	80 Å²	80	124.3 Å²	124.3	83%	0.825	83%	0.833	S	S	*	*			trans	-172	116	175.7	0	0	0	0	0	113.2
63	G	30	Very low	31.2	Very low	75 Å²	75	122 Å²	122	77%	0.773	83%	0.829	S	S	*	*			trans	-89.2	-163.8	-178.3	0	0	0	0	0	115.2
64	P	47.3	Very low	31	Very low	130 Å²	130	124.2 Å²	124.2	84%	0.844	83%	0.832	S	S	*	*				-116.9	152.1	-126.9	39.2	-31.6	0	0	0	115.5
65	V	29.4	Very low	30.9	Very low	141 Å²	141	120.8 Å²	120.8	86%	0.855	83%	0.83	S	S	*	*			trans	-137.2	111.8	170.9	-175.8	0	0	0	0	111.5
66	R	29.9	Very low	30.6	Very low	237 Å²	237	119.5 Å²	119.5	89%	0.894	83%	0.826	S	S	*	*			trans	-86.4	157.3	147.9	-110.6	-179.3	175.4	-167.9	-0.8	106.6
67	P	39.3	Very low	30.5	Very low	107 Å²	107	121 Å²	121	70%	0.695	83%	0.83	S	S	*	*				-160.2	-168	65.6	36.4	-10.5	0	0	0	118.1
68	V	27.3	Very low	30.2	Very low	131 Å²	131	121.8 Å²	121.8	79%	0.794	84%	0.838	S	S	*	*			trans	77.8	137	159	-138.2	0	0	0	0	120
69	L	27.6	Very low	29.9	Very low	158 Å²	158	119.9 Å²	119.9	83%	0.827	84%	0.839	S	S	*	*			trans	-87.7	158.1	167.2	-42.5	95.6	0	0	0	111
70	V	25.9	Very low	29.7	Very low	149 Å²	149	119.7 Å²	119.7	90%	0.903	84%	0.836	S	S	*	*			trans	-149.2	137.8	136	174	0	0	0	0	109.7
71	A	26.3	Very low	29.6	Very low	87 Å²	87	120.3 Å²	120.3	72%	0.719	83%	0.833	S	S	*	*			trans	-137.7	169.6	154.6	0	0	0	0	0	106.7
72	P	43.8	Very low	29.5	Very low	125 Å²	125	117.9 Å²	117.9	81%	0.812	83%	0.826	S	S	*	*			cis	-130.2	-171.5	3	43.1	-27.7	0	0	0	113.5
73	A	25.3	Very low	29.4	Very low	99 Å²	99	119 Å²	119	82%	0.818	82%	0.821	S	S	*	*			trans	-155.7	156.4	156.1	0	0	0	0	0	111.4
74	V	28.3	Very low	29.4	Very low	144 Å²	144	122.1 Å²	122.1	87%	0.873	83%	0.826	S	S	*	*			trans	-136.7	118.7	-178.7	179.6	0	0	0	0	111.1
75	S	28.2	Very low	28.5	Very low	124 Å²	124	119.1 Å²	119.1	87%	0.867	82%	0.819	S	S	*	*			trans	-179.5	161.8	162.3	50.7	0	0	0	0	109.6
76	G	24.3	Very low	28.5	Very low	67 Å²	67	120.3 Å²	120.3	69%	0.691	82%	0.819	S	S	*	*			cis	154.5	83.9	-9.8	0	0	0	0	0	114.6
77	S	28.5	Very low	28.4	Very low	138 Å²	138	114.4 Å²	114.4	97%	0.965	81%	0.814	S	S	*	*			trans	69.8	143.8	161.4	-55.6	0	0	0	0	120.6
78	G	24.3	Very low	27.9	Very low	81 Å²	81	120.9 Å²	120.9	84%	0.835	83%	0.825	S	S	*	*			trans	143.7	90.2	147.5	0	0	0	0	0	119.6
79	G	25.2	Very low	27.9	Very low	88 Å²	88	123.4 Å²	123.4	91%	0.907	83%	0.828	S	S	*	*			trans	73.9	151.7	164.8	0	0	0	0	0	116.4
80	G	24.8	Very low	27.9	Very low	81 Å²	81	121.1 Å²	121.1	84%	0.835	83%	0.825	S	S	*	*			cis	124.4	123.1	2	0	0	0	0	0	111.5
81	A	26.8	Very low	28	Very low	94 Å²	94	120 Å²	120	78%	0.777	82%	0.822	S	S	*	*			cis	-137.3	-133.7	-7.1	0	0	0	0	0	110.2
82	V	28.3	Very low	28	Very low	139 Å²	139	120.7 Å²	120.7	84%	0.842	83%	0.828	S	S	*	*			cis	-148.8	-154.2	12.2	-145.5	0	0	0	0	110.6
83	S	27.1	Very low	27.2	Very low	103 Å²	103	119.1 Å²	119.1	72%	0.72	83%	0.826	S	S	*	*			trans	-68.4	165.6	174.6	54	0	0	0	0	114.8
84	T	30.4	Very low	27.2	Very low	142 Å²	142	126 Å²	126	87%	0.871	83%	0.83	S	S	*	*			cis	-132.1	172.7	19.6	51.7	0	0	0	0	110.9
85	G	27.9	Very low	27.9	Very low	67 Å²	67	124 Å²	124	69%	0.691	82%	0.82	S	S	*	*			cis	162.5	85.1	1	0	0	0	0	0	111.5
86	L	29.6	Very low	27.9	Very low	165 Å²	165	123.9 Å²	123.9	86%	0.864	82%	0.82	S	S	*	*			trans	14	145.5	140.4	-66.3	167.6	0	0	0	119.7
87	S	27.4	Very low	28	Very low	114 Å²	114	126 Å²	126	80%	0.797	83%	0.831	S	S	*	*				-154.6	138.7	93	-73	0	0	0	0	115.6
88	R	28	Very low	27.9	Very low	242 Å²	242	123 Å²	123	91%	0.913	82%	0.822	S	S	*	*			trans	-124.1	144.7	153	-86	-177.7	169.8	179.4	-3.2	106.9
89	H	27.1	Very low	28.1	Very low	185 Å²	185	126.5 Å²	126.5	86%	0.856	83%	0.826	S	S	*	*			trans	-106.3	146.4	171.5	-96.7	-74.6	0	0	0	112.5
90	S	28.1	Very low	28	Very low	110 Å²	110	126 Å²	126	77%	0.769	82%	0.822	S	S	*	*			trans	-159	136.7	-179.8	56	0	0	0	0	109.9
91	C	28.9	Very low	28.1	Very low	124 Å²	124	126 Å²	126	84%	0.838	82%	0.822	S	S	*	*			trans	-174.9	159.2	168.1	47.8	0	0	0	0	109.7
92	A	26	Very low	28	Very low	102 Å²	102	127.6 Å²	127.6	84%	0.843	83%	0.827	S	S	*	*			cis	-165.3	176.3	-25.7	0	0	0	0	0	108.6
93	A	26	Very low	28	Very low	93 Å²	93	127 Å²	127	77%	0.769	83%	0.829	S	S	*	*			trans	-147.2	151.2	174.1	0	0	0	0	0	111.7
94	R	26.3	Very low	27.9	Very low	242 Å²	242	127.5 Å²	127.5	91%	0.913	83%	0.832	S	S	*	*			trans	146.7	164.8	164	-89.8	174.6	169.7	-123.5	-3.1	111
95	P	42.1	Very low	27.7	Very low	102 Å²	102	124.8 Å²	124.8	66%	0.662	82%	0.82	S	S	*	*			cis	-141.1	166.2	-39.2	39.4	-22.8	0	0	0	115.8
96	S	28.3	Very low	27.6	Very low	123 Å²	123	129.9 Å²	129.9	86%	0.86	83%	0.83	S	S	*	*			trans	40.7	119.9	142.5	-53.8	0	0	0	0	123.8
97	A	27.3	Very low	27.3	Very low	111 Å²	111	125.1 Å²	125.1	92%	0.917	82%	0.821	S	S	*	*			trans	-150.8	163.2	136.7	0	0	0	0	0	109
98	G	25.1	Very low	27.2	Very low	75 Å²	75	126.1 Å²	126.1	77%	0.773	83%	0.828	S	S	*	*			trans	-172	163.4	179.2	0	0	0	0	0	115.7
99	V	29.3	Very low	27	Very low	154 Å²	154	118 Å²	118	93%	0.933	82%	0.82	S	S	*	*			trans	-142.2	144.4	173.3	-176.9	0	0	0	0	107.7
100	G	24.2	Very low	26.9	Very low	79 Å²	79	114.1 Å²	114.1	81%	0.814	81%	0.813	S	S	*	*			trans	-103.9	173.4	-176.4	0	0	0	0	0	114.9
101	G	25.5	Very low	26.8	Very low	81 Å²	81	119.9 Å²	119.9	84%	0.835	82%	0.818	S	S	*	*			trans	-162.2	124.7	171.4	0	0	0	0	0	110.1
102	S	25.9	Very low	26.7	Very low	127 Å²	127	124.2 Å²	124.2	89%	0.888	82%	0.823	S	S	*	*			trans	-115	139	-166.5	-53	0	0	0	0	112.7
103	S	27.6	Very low	26.5	Very low	125 Å²	125	130.9 Å²	130.9	87%	0.874	83%	0.826	S	S	*	*			trans	-161.1	141	144.6	50	0	0	0	0	112.7
104	S	25.4	Very low	27.3	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	82%	0.821	S	S	*	*			trans	-95.6	178.1	161.8	57.3	0	0	0	0	108.1
105	S	26.5	Very low	27.2	Very low	86 Å²	86	127.9 Å²	127.9	60%	0.601	82%	0.82	S	S	*	*			cis	-175.4	165	30.3	59.6	0	0	0	0	110.5
106	L	25.3	Very low	26.4	Very low	173 Å²	173	130.7 Å²	130.7	91%	0.906	83%	0.828	S	S	*	*			trans	59.8	155.1	152.8	-61	158.6	0	0	0	119.1
107	G	22.9	Very low	26.2	Very low	65 Å²	65	129 Å²	129	67%	0.67	82%	0.821	S	S	*	*			cis	168.2	107.2	-12.2	0	0	0	0	0	115.6
108	S	24.9	Very low	26.5	Very low	136 Å²	136	129.6 Å²	129.6	95%	0.951	82%	0.816	S	S	*	*			trans	70.6	138.2	154.3	-156.7	0	0	0	0	122.6
109	G	23.7	Very low	26.8	Very low	72 Å²	72	134 Å²	134	74%	0.742	82%	0.821	S	S	*	*			trans	94.3	146.2	160.3	0	0	0	0	0	117
110	S	25.7	Very low	26.5	Very low	102 Å²	102	132.5 Å²	132.5	71%	0.713	82%	0.816	S	S	*	*			cis	-163.1	143.7	-5.8	-166.9	0	0	0	0	112.8
111	R	26.4	Very low	26.6	Very low	232 Å²	232	136.2 Å²	136.2	88%	0.875	82%	0.817	S	S	*	*			trans	42.5	120.3	156	-64.8	170.2	-175.7	-177.5	1.2	121.2
112	K	25.5	Very low	26.6	Very low	215 Å²	215	136.1 Å²	136.1	94%	0.935	82%	0.816	S	S	*	*				-162.5	149.7	126.5	-107.8	164.3	-171.9	178.9	0	113
113	R	23.3	Very low	26.6	Very low	241 Å²	241	137 Å²	137	91%	0.909	81%	0.81	S	S	*	*			trans	-158.6	166.9	176.2	-108.6	-169	-178.2	-169.3	2.2	106
114	P	41.2	Very low	26.6	Very low	103 Å²	103	139.1 Å²	139.1	67%	0.669	81%	0.81	S	S	*	*			cis	-128.8	179.3	-25.3	40.9	-26.9	0	0	0	112.2
115	L	24.7	Very low	26.6	Very low	169 Å²	169	139.6 Å²	139.6	89%	0.885	80%	0.804	S	S	*	*			trans	-159	160.6	146.3	-90.7	-163.4	0	0	0	110.9
116	L	26.1	Very low	26.6	Very low	162 Å²	162	140.6 Å²	140.6	85%	0.848	81%	0.811	S	S	*	*			trans	-137.1	168	171.1	-63.7	94.7	0	0	0	107.4
117	A	24.1	Very low	26.8	Very low	86 Å²	86	142.7 Å²	142.7	71%	0.711	81%	0.808	S	S	*	*			cis	-145.3	-158.9	11.6	0	0	0	0	0	108
118	P	34.2	Very low	27.3	Very low	125 Å²	125	146.3 Å²	146.3	81%	0.812	81%	0.807	S	S	*	*			cis	-133.4	-162.9	-6.2	42.1	-22.4	0	0	0	114.5
119	L	31.4	Very low	27.8	Very low	166 Å²	166	144.3 Å²	144.3	87%	0.869	79%	0.786	S	S	*	*			trans	-73.9	151.5	-179.6	-64.6	147.1	0	0	0	114.3
120	C	23	Very low	28.8	Very low	123 Å²	123	147.2 Å²	147.2	83%	0.831	78%	0.778	S	S	*	*				-169.8	141.8	123.9	-99.8	0	0	0	0	114.2
121	N	25.9	Very low	30	Very low	158 Å²	158	144.5 Å²	144.5	85%	0.845	76%	0.76	S	S	*	*			trans	35.2	77.3	159.5	-66.1	13.2	0	0	0	119.7	L123	N121-L123 PolarHBondContact O-N 2.92Å
122	G	25.3	Very low	31.3	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	74%	0.741	S	S	*	*			trans	-81.2	96.7	154.8	0	0	0	0	0	111.5	I124	G122-I124 PolarHBondContact O-N 3.01Å
123	L	26.5	Very low	33.2	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	73%	0.728	S	S	*	*			trans	-78.7	106.2	161.3	-90	170.6	0	0	0	108.7	N121 N125	N121-L123 PolarHBondContact O-N 2.92Å; L123-N125 VanDerWaalsContact C-N 3.29Å; L123-N125 PolarHBondContact O-N 2.97Å
124	I	25.9	Very low	35.8	Very low	168 Å²	168	123.3 Å²	123.3	86%	0.862	69%	0.69	S	S	*	*			trans	-75.3	89.7	164	-56.2	179.1	0	0	0	106.5	G122 S126	G122-I124 PolarHBondContact O-N 3.01Å; I124-S126 PolarHBondContact O-N 2.66Å
125	N	26.4	Very low	37.8	Very low	125 Å²	125	120.7 Å²	120.7	67%	0.668	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-60.6	135.9	166.7	-78.3	0.3	0	0	0	108.5	L123	L123-N125 VanDerWaalsContact C-N 3.29Å; L123-N125 PolarHBondContact O-N 2.97Å
126	S	25.9	Very low	40.6	Very low	107 Å²	107	112.6 Å²	112.6	75%	0.748	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-57.1	143.5	174.3	47.9	0	0	0	0	110.8	I124	I124-S126 PolarHBondContact O-N 2.66Å
127	Y	29.7	Very low	43.2	Very low	216 Å²	216	107.2 Å²	107.2	85%	0.847	61%	0.605	S	S	*	*	S	Bend	trans	-56.4	157.4	175.7	-128	-115.4	0	0	0	111.5
128	E	33.3	Very low	45.9	Very low	141 Å²	141	105.7 Å²	105.7	66%	0.659	58%	0.584	S	S	*	*			trans	76.3	45.5	178.9	-59.7	-86.4	93.3	0	0	117.4	K130	E128-K130 WeakPolarHBondContact OE1-CE 3.42Å; E128-K130 IonicContact OE1-NZ 3.52Å; E128-K130 PolarHBondContact OE1-NZ 3.43Å
129	D	35.6	Very low	48.2	Very low	95 Å²	95	101.9 Å²	101.9	51%	0.508	56%	0.56	S	S	.	*			trans	-130.6	74.9	151.9	-165.9	5.6	0	0	0	113.8	S131 N132	D129-S131 VanDerWaalsContact CG-OG 3.27Å; D129-S131 PolarHBondContact O-N 3.37Å; D129-S131 VanDerWaalsContact OD1-CB 3.27Å; D129-S131 WeakPolarHBondContact OD1-CB 3.47Å; D129-S131 PolarHBondContact OD1-N 3.42Å; D129-S131 PolarHBondContact OD1-OG 3.1Å; D129-S131 PolarHBondContact OD2-OG 3.39Å; D129-N132 PolarHBondContact O-ND2 2.97Å; D129-N132 PolarHBondContact OD2-ND2 2.88Å
130	K	43.8	Very low	50.7	Low	132 Å²	132	101.6 Å²	101.6	57%	0.574	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	23.6	177.3	-63	160.2	177.5	148.8	0	113.7	E128 Q196	E128-K130 WeakPolarHBondContact OE1-CE 3.42Å; E128-K130 IonicContact OE1-NZ 3.52Å; E128-K130 PolarHBondContact OE1-NZ 3.43Å; K130-Q196 PolarHBondContact O-NE2 3.23Å
131	S	51.5	Low	53.4	Low	46 Å²	46	100.7 Å²	100.7	32%	0.322	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-35.7	175.3	69.7	0	0	0	0	112.4	D129 D133 F134	D129-S131 VanDerWaalsContact CG-OG 3.27Å; D129-S131 PolarHBondContact O-N 3.37Å; D129-S131 VanDerWaalsContact OD1-CB 3.27Å; D129-S131 WeakPolarHBondContact OD1-CB 3.47Å; D129-S131 PolarHBondContact OD1-N 3.42Å; D129-S131 PolarHBondContact OD1-OG 3.1Å; D129-S131 PolarHBondContact OD2-OG 3.39Å; S131-D133 VanDerWaalsContact C-N 3.31Å; S131-D133 PolarHBondContact O-N 3.36Å; S131-F134 PolarHBondContact O-N 2.68Å
132	N	54.3	Low	56.1	Low	91 Å²	91	96.1 Å²	96.1	49%	0.487	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-71.8	-19.8	-171.3	-61.8	-78.7	0	0	0	114.3	D129 F134 V135	D129-N132 PolarHBondContact O-ND2 2.97Å; D129-N132 PolarHBondContact OD2-ND2 2.88Å; N132-F134 PolarHBondContact O-N 3.46Å; N132-F134 VanDerWaalsContact O-N 3.12Å; N132-V135 PolarHBondContact O-N 3.42Å
133	D	64.3	Low	58.9	Low	125 Å²	125	92.6 Å²	92.6	67%	0.668	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-65.4	-13.3	179.2	-62.4	-49.4	0	0	0	113.7	S131	S131-D133 VanDerWaalsContact C-N 3.31Å; S131-D133 PolarHBondContact O-N 3.36Å
134	F	78.1	Confident	61.3	Low	26 Å²	26	91.3 Å²	91.3	11%	0.114	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-110.4	6	-176.8	-57.5	-60.4	0	0	0	113.9	S131 N132 M142 I143 L192 I193 Q196	S131-F134 PolarHBondContact O-N 2.68Å; N132-F134 PolarHBondContact O-N 3.46Å; N132-F134 VanDerWaalsContact O-N 3.12Å; F134-M142 HydrophobicContact CB-CG 4.43Å; F134-I143 PolarHBondContact O-N 3.47Å; F134-L192 HydrophobicContact CE1-CB 3.54Å; F134-L192 HydrophobicContact CE1-CD1 4.39Å; F134-L192 HydrophobicContact CZ-CB 3.93Å; F134-I193 HydrophobicContact CB-CG1 4.05Å; F134-I193 HydrophobicContact CD1-CG1 3.69Å; F134-I193 HydrophobicContact CG-CG1 4.16Å; F134-Q196 HydrophobicContact CD2-CB 4.3Å; F134-Q196 HydrophobicContact CD2-CG 3.94Å; F134-Q196 HydrophobicContact CE2-CB 4.38Å; F134-Q196 HydrophobicContact CE2-CG 4.21Å
135	V	83.3	Confident	64.1	Low	48 Å²	48	87.5 Å²	87.5	29%	0.291	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-93.9	136.5	-177.4	176.8	0	0	0	0	110.5	N132 P137 F140 D141	N132-V135 PolarHBondContact O-N 3.42Å; V135-P137 WeakPolarHBondContact O-CD 3.27Å; V135-F140 WeakPolarHBondContact CG1-O 3.3Å; V135-D141 CarbonylContact C-O 3.44Å; V135-D141 WeakPolarHBondContact CA-O 3.38Å
136	C	83.3	Confident	67	Low	0 Å²	0	81.6 Å²	81.6	0%	0	41%	0.413	C	S	.	.			trans	-73.8	122.1	178.4	-174.9	0	0	0	0	110.5	I138 F140 D141 I143 C156	C136-I138 PolarHBondContact O-N 2.9Å; C136-F140 VanDerWaalsContact O-CA 3.31Å; C136-F140 WeakPolarHBondContact O-CA 3.5Å; C136-F140 PolarHBondContact O-N 2.82Å; C136-D141 PolarHBondContact N-O 2.69Å; C136-I143 HydrophobicContact CB-CG1 3.74Å; C136-C156 PolarHBondContact SG-N 3.24Å; C136-C156 VanDerWaalsContact SG-N 3.4Å
137	P	80.7	Confident	69.9	Low	48 Å²	48	79.3 Å²	79.3	31%	0.312	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	7.4	179	-21.1	32.8	0	0	0	116.3	V135 F155 K172	V135-P137 WeakPolarHBondContact O-CD 3.27Å; P137-F155 HydrophobicContact CB-CD1 4.38Å; P137-F155 HydrophobicContact CB-CE1 4.01Å; P137-F155 HydrophobicContact CG-CD1 4.17Å; P137-F155 HydrophobicContact CG-CE1 3.97Å; P137-K172 HydrophobicContact CG-CD 4.26Å
138	I	81.3	Confident	72.6	Confident	54 Å²	54	71.9 Å²	71.9	28%	0.277	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-53	-177.3	-58.9	168.2	0	0	0	110.9	C136 F155 C159 I160 P171	C136-I138 PolarHBondContact O-N 2.9Å; I138-F155 HydrophobicContact CD1-CB 4.38Å; I138-F155 HydrophobicContact CD1-CD1 3.51Å; I138-F155 HydrophobicContact CD1-CE1 4.04Å; I138-F155 HydrophobicContact CD1-CG 4.15Å; I138-F155 HydrophobicContact CG1-CD1 3.79Å; I138-F155 HydrophobicContact CG1-CE1 4.11Å; I138-C159 HydrophobicContact CB-CB 3.93Å; I138-C159 HydrophobicContact CD1-CB 3.87Å; I138-C159 HydrophobicContact CG2-CB 3.9Å; I138-I160 HydrophobicContact CD1-CB 4.45Å; I138-I160 HydrophobicContact CD1-CD1 4.31Å; I138-P171 HydrophobicContact CD1-CG 4.08Å; I138-P171 HydrophobicContact CG1-CB 4.44Å; I138-P171 HydrophobicContact CG1-CG 4.26Å
139	C	82.9	Confident	75.1	Confident	46 Å²	46	65.2 Å²	65.2	31%	0.311	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-12.9	177.7	67.2	0	0	0	0	114.3	D141	C139-D141 WeakPolarHBondContact CB-OD2 3.39Å; C139-D141 PolarHBondContact O-N 2.86Å; C139-D141 PolarHBondContact SG-OD2 3.5Å
140	F	82.9	Confident	77.2	Confident	160 Å²	160	65.3 Å²	65.3	70%	0.702	33%	0.327	S	S	*	.			trans	65.6	6.7	-175.9	-50.1	-82.1	0	0	0	115.8	V135 C136	V135-F140 WeakPolarHBondContact CG1-O 3.3Å; C136-F140 VanDerWaalsContact O-CA 3.31Å; C136-F140 WeakPolarHBondContact O-CA 3.5Å; C136-F140 PolarHBondContact O-N 2.82Å
141	D	80.6	Confident	79	Confident	104 Å²	104	60.9 Å²	60.9	56%	0.556	31%	0.312	S	S	*	.	S	Bend	trans	-84.5	165	168.3	-53.9	-68.9	0	0	0	112.8	V135 C136 C139 I143	V135-D141 CarbonylContact C-O 3.44Å; V135-D141 WeakPolarHBondContact CA-O 3.38Å; C136-D141 PolarHBondContact N-O 2.69Å; C139-D141 WeakPolarHBondContact CB-OD2 3.39Å; C139-D141 PolarHBondContact O-N 2.86Å; C139-D141 PolarHBondContact SG-OD2 3.5Å; D141-I143 PolarHBondContact O-N 3.17Å
142	M	82	Confident	80.4	Confident	62 Å²	62	60.6 Å²	60.6	31%	0.305	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-64.5	131.6	168.9	-173.6	178	-66.1	0	0	110.6	F134 E144 I193 Q196 K197	F134-M142 HydrophobicContact CB-CG 4.43Å; M142-E144 PolarHBondContact O-N 2.88Å; M142-I193 HydrophobicContact CG-CG2 4.16Å; M142-I193 HydrophobicContact SD-CG2 4.08Å; M142-Q196 HydrophobicContact CE-CG 4.44Å; M142-K197 HydrophobicContact SD-CD 4.11Å; M142-K197 WeakPolarHBondContact SD-CE 3.49Å; M142-K197 HydrophobicContact SD-CG 3.52Å; M142-K197 VanDerWaalsContact SD-CG 3.52Å
143	I	83.8	Confident	81.9	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-58.2	129	-172.1	-67.2	165.3	0	0	0	111.5	F134 C136 D141 A146 C156 I193	F134-I143 PolarHBondContact O-N 3.47Å; C136-I143 HydrophobicContact CB-CG1 3.74Å; D141-I143 PolarHBondContact O-N 3.17Å; I143-A146 HydrophobicContact CG2-CB 3.72Å; I143-C156 VanDerWaalsContact CA-SG 3.58Å; I143-I193 HydrophobicContact CB-CD1 3.67Å; I143-I193 HydrophobicContact CG2-CD1 3.86Å
144	E	77.4	Confident	83.1	Confident	119 Å²	119	53.9 Å²	53.9	56%	0.556	28%	0.281	S	S	*	.	S	Bend	trans	-80.6	-52.5	174.7	-63.5	-165.8	129.2	0	0	111.5	M142 K158	M142-E144 PolarHBondContact O-N 2.88Å; E144-K158 IonicContact OE2-NZ 3.17Å; E144-K158 PolarHBondContact OE2-NZ 3.1Å
145	E	85.4	Confident	83.6	Confident	89 Å²	89	52.7 Å²	52.7	42%	0.416	28%	0.276	S	S	.	.	S	Bend	trans	-132.8	97.9	-175.9	-64.5	176.9	141.3	0	0	108.3	Y147 C156 Y157	E145-Y147 PolarHBondContact O-N 3.02Å; E145-C156 CarbonylContact O-C 3.58Å; E145-C156 WeakPolarHBondContact O-CA 3.3Å; E145-Y157 PolarHBondContact O-N 3.41Å
146	A	87.2	Confident	83.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.4	-175.9	0	0	0	0	0	111.5	I143 F155 N186 V189 N190 I193	I143-A146 HydrophobicContact CG2-CB 3.72Å; A146-F155 WeakPolarHBondContact CA-O 3.45Å; A146-N186 HydrophobicContact CB-CB 4.1Å; A146-N186 PolarHBondContact O-N 3.34Å; A146-V189 HydrophobicContact CB-CB 4.02Å; A146-V189 HydrophobicContact CB-CG1 3.7Å; A146-N190 WeakPolarHBondContact CB-OD1 3.29Å; A146-N190 PolarHBondContact N-OD1 3.42Å; A146-I193 HydrophobicContact CB-CD1 4.35Å
147	Y	87.4	Confident	84.1	Confident	60 Å²	60	54.7 Å²	54.7	24%	0.235	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.3	166.5	-83.3	-109.1	0	0	0	109.7	E145 S154 F155 Y157 L183 Y184 P185	E145-Y147 PolarHBondContact O-N 3.02Å; Y147-S154 CarbonylContact O-C 3.57Å; Y147-S154 VanDerWaalsContact O-CA 3.29Å; Y147-S154 WeakPolarHBondContact O-CA 3.31Å; Y147-F155 PolarHBondContact N-O 3.45Å; Y147-F155 PolarHBondContact O-N 3.02Å; Y147-Y157 AromaticContact CD1-CD2 3.96Å; Y147-Y157 HydrophobicContact CD1-CD2 3.96Å; Y147-Y157 AromaticContact CD2-CD2 3.67Å; Y147-Y157 HydrophobicContact CD2-CD2 3.67Å; Y147-Y157 AromaticContact CD2-CG 3.95Å; Y147-Y157 HydrophobicContact CD2-CG 3.95Å; Y147-Y157 AromaticContact CE1-CD2 3.88Å; Y147-Y157 HydrophobicContact CE1-CD2 3.88Å; Y147-Y157 HydrophobicContact CE1-CE2 4.17Å; Y147-Y157 AromaticContact CE2-CD2 3.58Å; Y147-Y157 HydrophobicContact CE2-CD2 3.58Å; Y147-Y157 HydrophobicContact CE2-CE2 4.46Å; Y147-Y157 AromaticContact CE2-CG 3.79Å; Y147-Y157 HydrophobicContact CE2-CG 3.79Å; Y147-Y157 AromaticContact CG-CD2 3.84Å; Y147-Y157 HydrophobicContact CG-CD2 3.84Å; Y147-Y157 AromaticContact CZ-CD2 3.67Å; Y147-L183 HydrophobicContact CD1-CB 4.08Å; Y147-Y184 CarbonylContact C-O 3.47Å; Y147-Y184 WeakPolarHBondContact CA-O 2.76Å; Y147-P185 HydrophobicContact CD1-CG 4.29Å; Y147-P185 HydrophobicContact CE1-CB 4.14Å; Y147-P185 HydrophobicContact CE1-CG 3.62Å
148	M	86.3	Confident	84.4	Confident	60 Å²	60	58.3 Å²	58.3	30%	0.296	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.6	178.4	68.7	-172.7	-61.2	0	0	112	H153 Y184 N186	M148-H153 WeakPolarHBondContact CA-O 3.41Å; M148-Y184 PolarHBondContact N-O 3.36Å; M148-Y184 PolarHBondContact O-N 3.3Å; M148-N186 HydrophobicContact CB-CB 4.3Å; M148-N186 HydrophobicContact CG-CB 4.31Å; M148-N186 HydrophobicContact SD-CB 4.25Å
149	T	85.5	Confident	84.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	160.5	170.1	55.2	0	0	0	0	110.6	C151 G152 H153 F155 I160 V177 L183	T149-C151 PolarHBondContact O-N 3.48Å; T149-C151 PolarHBondContact OG1-SG 3.02Å; T149-G152 PolarHBondContact O-N 3.11Å; T149-H153 PolarHBondContact N-O 3.45Å; T149-H153 PolarHBondContact OG1-O 2.83Å; T149-H153 VanDerWaalsContact OG1-O 3.13Å; T149-F155 HydrophobicContact CG2-CD2 4.38Å; T149-F155 HydrophobicContact CG2-CE2 4.09Å; T149-I160 HydrophobicContact CG2-CD1 4.13Å; T149-I160 HydrophobicContact CG2-CG1 4.02Å; T149-V177 HydrophobicContact CG2-CG2 4.36Å; T149-L183 HydrophobicContact CG2-CD2 3.77Å
150	K	79.1	Confident	84.8	Confident	97 Å²	97	54.9 Å²	54.9	42%	0.422	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-24.4	174.8	-78.6	-179.7	174.7	170.6	0	115.4	G152 Y175 H182 Y184	K150-G152 VanDerWaalsContact C-N 3.29Å; K150-G152 PolarHBondContact O-N 3.2Å; K150-Y175 HydrophobicContact CB-CE1 4.22Å; K150-H182 HydrophobicContact CD-CB 4.04Å; K150-H182 WeakPolarHBondContact CE-CD2 3.25Å; K150-H182 VanDerWaalsContact CE-CG 3.42Å; K150-H182 HydrophobicContact CG-CB 4.24Å; K150-H182 PolarHBondContact NZ-CD2 3.4Å; K150-H182 PolarHBondContact NZ-CE1 3.22Å; K150-H182 PolarHBondContact NZ-ND1 3.46Å; K150-H182 PolarHBondContact NZ-NE2 2.96Å; K150-Y184 HydrophobicContact CG-CE2 3.9Å
151	C	82.9	Confident	84.9	Confident	39 Å²	39	49.4 Å²	49.4	26%	0.264	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6.1	176.9	74	0	0	0	0	114.9	T149 H153 C170 C173 Y175	T149-C151 PolarHBondContact O-N 3.48Å; T149-C151 PolarHBondContact OG1-SG 3.02Å; C151-H153 PolarHBondContact O-N 3.45Å; C151-H153 PolarHBondContact SG-ND1 2.74Å; C151-C170 PolarHBondContact SG-SG 3.43Å; C151-C173 PolarHBondContact SG-SG 2.88Å; C151-Y175 HydrophobicContact CB-CD1 4Å; C151-Y175 HydrophobicContact CB-CG 3.93Å
152	G	80.4	Confident	85.1	Confident	40 Å²	40	49.1 Å²	49.1	41%	0.412	24%	0.244	S	C	.	.	S	Bend	trans	88.1	-9.7	176.6	0	0	0	0	0	115.4	T149 K150	T149-G152 PolarHBondContact O-N 3.11Å; K150-G152 VanDerWaalsContact C-N 3.29Å; K150-G152 PolarHBondContact O-N 3.2Å
153	H	86.3	Confident	85.2	Confident	49 Å²	49	47.5 Å²	47.5	23%	0.227	24%	0.238	C	C	.	.			trans	-79.2	132.3	179.7	-65.5	127.6	0	0	0	112.4	M148 T149 C151 F155 K172 C173	M148-H153 WeakPolarHBondContact CA-O 3.41Å; T149-H153 PolarHBondContact N-O 3.45Å; T149-H153 PolarHBondContact OG1-O 2.83Å; T149-H153 VanDerWaalsContact OG1-O 3.13Å; C151-H153 PolarHBondContact O-N 3.45Å; C151-H153 PolarHBondContact SG-ND1 2.74Å; H153-F155 HydrophobicContact CB-CE2 3.68Å; H153-F155 HydrophobicContact CB-CZ 3.94Å; H153-F155 WeakPolarHBondContact O-CE2 3.49Å; H153-K172 HydrophobicContact CB-CB 4.35Å; H153-K172 HydrophobicContact CB-CD 4.42Å; H153-K172 VanDerWaalsContact CD2-CD 3.44Å; H153-K172 WeakPolarHBondContact CD2-CD 3.33Å; H153-C173 PolarHBondContact ND1-SG 2.97Å; H153-C173 VanDerWaalsContact ND1-SG 3.44Å
154	S	87.8	Confident	85.1	Confident	26 Å²	26	47.7 Å²	47.7	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	145.8	-178.2	-57	0	0	0	0	112.4	Y147 N186	Y147-S154 CarbonylContact O-C 3.57Å; Y147-S154 VanDerWaalsContact O-CA 3.29Å; Y147-S154 WeakPolarHBondContact O-CA 3.31Å; S154-N186 PolarHBondContact OG-ND2 3.18Å
155	F	89.1	Confident	85.3	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	168.5	-174.4	-55.8	-90.4	0	0	0	110	P137 I138 A146 Y147 T149 H153 I160 P171 K172	P137-F155 HydrophobicContact CB-CD1 4.38Å; P137-F155 HydrophobicContact CB-CE1 4.01Å; P137-F155 HydrophobicContact CG-CD1 4.17Å; P137-F155 HydrophobicContact CG-CE1 3.97Å; I138-F155 HydrophobicContact CD1-CB 4.38Å; I138-F155 HydrophobicContact CD1-CD1 3.51Å; I138-F155 HydrophobicContact CD1-CE1 4.04Å; I138-F155 HydrophobicContact CD1-CG 4.15Å; I138-F155 HydrophobicContact CG1-CD1 3.79Å; I138-F155 HydrophobicContact CG1-CE1 4.11Å; A146-F155 WeakPolarHBondContact CA-O 3.45Å; Y147-F155 PolarHBondContact N-O 3.45Å; Y147-F155 PolarHBondContact O-N 3.02Å; T149-F155 HydrophobicContact CG2-CD2 4.38Å; T149-F155 HydrophobicContact CG2-CE2 4.09Å; H153-F155 HydrophobicContact CB-CE2 3.68Å; H153-F155 HydrophobicContact CB-CZ 3.94Å; H153-F155 WeakPolarHBondContact O-CE2 3.49Å; F155-I160 HydrophobicContact CB-CB 3.79Å; F155-I160 HydrophobicContact CB-CG1 4.45Å; F155-I160 HydrophobicContact CB-CG2 4.16Å; F155-I160 HydrophobicContact CD2-CB 4.23Å; F155-I160 HydrophobicContact CD2-CD1 3.83Å; F155-I160 HydrophobicContact CD2-CG1 3.94Å; F155-I160 HydrophobicContact CE2-CD1 3.97Å; F155-I160 HydrophobicContact CE2-CG1 4.5Å; F155-I160 HydrophobicContact CG-CB 4.12Å; F155-I160 HydrophobicContact CG-CD1 4.15Å; F155-I160 HydrophobicContact CG-CG1 4.29Å; F155-I160 HydrophobicContact CZ-CD1 4.4Å; F155-P171 HydrophobicContact CE1-CB 4.36Å; F155-P171 HydrophobicContact CE1-CG 4.48Å; F155-K172 HydrophobicContact CE1-CB 4.48Å; F155-K172 HydrophobicContact CZ-CB 4.04Å
156	C	90	Very high	85	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.054	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	136.7	162	-62.7	0	0	0	0	110.5	C136 I143 E145 K158 C159 I160	C136-C156 PolarHBondContact SG-N 3.24Å; C136-C156 VanDerWaalsContact SG-N 3.4Å; I143-C156 VanDerWaalsContact CA-SG 3.58Å; E145-C156 CarbonylContact O-C 3.58Å; E145-C156 WeakPolarHBondContact O-CA 3.3Å; C156-K158 PolarHBondContact O-N 2.73Å; C156-C159 HydrophobicContact CB-CB 4.04Å; C156-C159 PolarHBondContact O-N 3.23Å; C156-C159 VanDerWaalsContact O-N 3.13Å; C156-I160 WeakPolarHBondContact O-CG2 3.48Å; C156-I160 PolarHBondContact O-N 2.76Å
157	Y	86.9	Confident	84.6	Confident	82 Å²	82	53.1 Å²	53.1	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-45.5	-60.5	175.9	179.7	-117	0	0	0	112.8	E145 Y147 C159 I160 H161	E145-Y157 PolarHBondContact O-N 3.41Å; Y147-Y157 AromaticContact CD1-CD2 3.96Å; Y147-Y157 HydrophobicContact CD1-CD2 3.96Å; Y147-Y157 AromaticContact CD2-CD2 3.67Å; Y147-Y157 HydrophobicContact CD2-CD2 3.67Å; Y147-Y157 AromaticContact CD2-CG 3.95Å; Y147-Y157 HydrophobicContact CD2-CG 3.95Å; Y147-Y157 AromaticContact CE1-CD2 3.88Å; Y147-Y157 HydrophobicContact CE1-CD2 3.88Å; Y147-Y157 HydrophobicContact CE1-CE2 4.17Å; Y147-Y157 AromaticContact CE2-CD2 3.58Å; Y147-Y157 HydrophobicContact CE2-CD2 3.58Å; Y147-Y157 HydrophobicContact CE2-CE2 4.46Å; Y147-Y157 AromaticContact CE2-CG 3.79Å; Y147-Y157 HydrophobicContact CE2-CG 3.79Å; Y147-Y157 AromaticContact CG-CD2 3.84Å; Y147-Y157 HydrophobicContact CG-CD2 3.84Å; Y147-Y157 AromaticContact CZ-CD2 3.67Å; Y157-C159 VanDerWaalsContact C-N 3.28Å; Y157-C159 PolarHBondContact O-N 3.24Å; Y157-I160 WeakPolarHBondContact O-CG2 3.29Å; Y157-I160 PolarHBondContact O-N 2.82Å; Y157-H161 AromaticContact CE2-CD2 3.89Å; Y157-H161 AromaticContact CZ-CD2 3.69Å; Y157-H161 WeakPolarHBondContact O-CB 3.43Å; Y157-H161 PolarHBondContact O-N 2.82Å; Y157-H161 PolarHBondContact OH-CD2 3.4Å
158	K	87.6	Confident	84.4	Confident	124 Å²	124	54.4 Å²	54.4	54%	0.539	28%	0.282	S	S	.	.	H	α-helix	trans	-51.2	-45.6	179.6	-57.3	166.5	-167.8	159.9	0	112.3	E144 C156 Q162	E144-K158 IonicContact OE2-NZ 3.17Å; E144-K158 PolarHBondContact OE2-NZ 3.1Å; C156-K158 PolarHBondContact O-N 2.73Å; K158-Q162 PolarHBondContact O-N 2.84Å; K158-Q162 VanDerWaalsContact O-N 3.08Å
159	C	87.6	Confident	84.2	Confident	29 Å²	29	56.5 Å²	56.5	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-40.9	-176.2	-57.9	0	0	0	0	113	I138 C156 Y157 S163	I138-C159 HydrophobicContact CB-CB 3.93Å; I138-C159 HydrophobicContact CD1-CB 3.87Å; I138-C159 HydrophobicContact CG2-CB 3.9Å; C156-C159 HydrophobicContact CB-CB 4.04Å; C156-C159 PolarHBondContact O-N 3.23Å; C156-C159 VanDerWaalsContact O-N 3.13Å; Y157-C159 VanDerWaalsContact C-N 3.28Å; Y157-C159 PolarHBondContact O-N 3.24Å; C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 3.46Å
160	I	85.2	Confident	84.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-78.8	-27.8	178.1	-166.5	61.2	0	0	0	112.2	I138 T149 F155 C156 Y157 L164 P171 L183	I138-I160 HydrophobicContact CD1-CB 4.45Å; I138-I160 HydrophobicContact CD1-CD1 4.31Å; T149-I160 HydrophobicContact CG2-CD1 4.13Å; T149-I160 HydrophobicContact CG2-CG1 4.02Å; F155-I160 HydrophobicContact CB-CB 3.79Å; F155-I160 HydrophobicContact CB-CG1 4.45Å; F155-I160 HydrophobicContact CB-CG2 4.16Å; F155-I160 HydrophobicContact CD2-CB 4.23Å; F155-I160 HydrophobicContact CD2-CD1 3.83Å; F155-I160 HydrophobicContact CD2-CG1 3.94Å; F155-I160 HydrophobicContact CE2-CD1 3.97Å; F155-I160 HydrophobicContact CE2-CG1 4.5Å; F155-I160 HydrophobicContact CG-CB 4.12Å; F155-I160 HydrophobicContact CG-CD1 4.15Å; F155-I160 HydrophobicContact CG-CG1 4.29Å; F155-I160 HydrophobicContact CZ-CD1 4.4Å; C156-I160 WeakPolarHBondContact O-CG2 3.48Å; C156-I160 PolarHBondContact O-N 2.76Å; Y157-I160 WeakPolarHBondContact O-CG2 3.29Å; Y157-I160 PolarHBondContact O-N 2.82Å; I160-L164 HydrophobicContact CD1-CD1 4.43Å; I160-L164 HydrophobicContact CD1-CG 4.22Å; I160-L164 HydrophobicContact CG1-CD1 4.08Å; I160-L164 HydrophobicContact CG1-CG 4.3Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.22Å; I160-L164 WeakPolarHBondContact O-CG 3.19Å; I160-L164 PolarHBondContact O-N 3.25Å; I160-P171 HydrophobicContact CD1-CG 4.35Å; I160-L183 HydrophobicContact CG1-CD2 3.78Å; I160-L183 HydrophobicContact CG2-CD1 3.92Å; I160-L183 HydrophobicContact CG2-CD2 3.93Å
161	H	85.4	Confident	84.2	Confident	44 Å²	44	54.9 Å²	54.9	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-55.8	171.4	-157.1	-76.4	0	0	0	110.1	Y157 S163 L164 E165	Y157-H161 AromaticContact CE2-CD2 3.89Å; Y157-H161 AromaticContact CZ-CD2 3.69Å; Y157-H161 WeakPolarHBondContact O-CB 3.43Å; Y157-H161 PolarHBondContact O-N 2.82Å; Y157-H161 PolarHBondContact OH-CD2 3.4Å; H161-S163 VanDerWaalsContact C-N 3.35Å; H161-S163 PolarHBondContact O-N 3.12Å; H161-L164 PolarHBondContact O-N 3.25Å; H161-E165 IonicContact CE1-OE1 2.75Å; H161-E165 PolarHBondContact CE1-OE1 3.48Å; H161-E165 IonicContact CG-OE1 3.12Å; H161-E165 IonicContact ND1-OE1 2.61Å; H161-E165 PolarHBondContact ND1-OE1 3.44Å; H161-E165 PolarHBondContact O-N 2.83Å
162	Q	85.1	Confident	84.1	Confident	99 Å²	99	59.1 Å²	59.1	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-45.9	177.4	-165	65.1	72.9	0	0	111.8	K158 L164 E165 D166	K158-Q162 PolarHBondContact O-N 2.84Å; K158-Q162 VanDerWaalsContact O-N 3.08Å; Q162-L164 PolarHBondContact O-N 3.05Å; Q162-E165 PolarHBondContact NE2-OE2 3.31Å; Q162-E165 WeakPolarHBondContact O-CB 3.34Å; Q162-E165 PolarHBondContact O-N 3.21Å; Q162-E165 VanDerWaalsContact O-N 3.16Å; Q162-D166 PolarHBondContact O-N 2.81Å
163	S	83.4	Confident	84.2	Confident	27 Å²	27	60.1 Å²	60.1	19%	0.189	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-23.9	178.7	-178.3	0	0	0	0	113.8	C159 H161 N167 P171	C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 3.46Å; H161-S163 VanDerWaalsContact C-N 3.35Å; H161-S163 PolarHBondContact O-N 3.12Å; S163-N167 CarbonylContact O-C 3.53Å; S163-N167 PolarHBondContact O-N 3.22Å; S163-N167 VanDerWaalsContact O-N 3.11Å; S163-P171 VanDerWaalsContact OG-CG 3.23Å; S163-P171 WeakPolarHBondContact OG-CG 3.41Å
164	L	82.1	Confident	83.9	Confident	9 Å²	9	62.7 Å²	62.7	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-91.1	-21.1	176.5	-72	178.3	0	0	0	113.4	I160 H161 Q162 N167 V177 L183	I160-L164 HydrophobicContact CD1-CD1 4.43Å; I160-L164 HydrophobicContact CD1-CG 4.22Å; I160-L164 HydrophobicContact CG1-CD1 4.08Å; I160-L164 HydrophobicContact CG1-CG 4.3Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.22Å; I160-L164 WeakPolarHBondContact O-CG 3.19Å; I160-L164 PolarHBondContact O-N 3.25Å; H161-L164 PolarHBondContact O-N 3.25Å; Q162-L164 PolarHBondContact O-N 3.05Å; L164-N167 WeakPolarHBondContact CA-O 3.27Å; L164-V177 HydrophobicContact CD1-CB 4.3Å; L164-V177 HydrophobicContact CD1-CG1 3.88Å; L164-V177 HydrophobicContact CD2-CB 3.85Å; L164-V177 HydrophobicContact CD2-CG1 4.34Å; L164-V177 HydrophobicContact CD2-CG2 4.28Å; L164-L183 HydrophobicContact CD1-CD1 4.17Å; L164-L183 HydrophobicContact CD1-CD2 3.92Å; L164-L183 HydrophobicContact CD1-CG 4.11Å
165	E	81.4	Confident	83.7	Confident	105 Å²	105	67.2 Å²	67.2	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-67.2	-43.2	164.2	-69.2	167.3	-159.3	0	0	110.8	H161 Q162	H161-E165 IonicContact CE1-OE1 2.75Å; H161-E165 PolarHBondContact CE1-OE1 3.48Å; H161-E165 IonicContact CG-OE1 3.12Å; H161-E165 IonicContact ND1-OE1 2.61Å; H161-E165 PolarHBondContact ND1-OE1 3.44Å; H161-E165 PolarHBondContact O-N 2.83Å; Q162-E165 PolarHBondContact NE2-OE2 3.31Å; Q162-E165 WeakPolarHBondContact O-CB 3.34Å; Q162-E165 PolarHBondContact O-N 3.21Å; Q162-E165 VanDerWaalsContact O-N 3.16Å
166	D	78.9	Confident	83.3	Confident	118 Å²	118	69.8 Å²	69.8	63%	0.631	35%	0.345	S	S	*	.	H	α-helix	trans	-77.2	-29.1	179.7	-66.1	-37.5	0	0	0	113.5	Q162	Q162-D166 PolarHBondContact O-N 2.81Å
167	N	78.8	Confident	82.9	Confident	99 Å²	99	69.6 Å²	69.6	53%	0.529	34%	0.344	S	S	.	.			trans	-162.8	120.2	-177.6	-128.8	-67.3	0	0	0	112.4	S163 L164 R169	S163-N167 CarbonylContact O-C 3.53Å; S163-N167 PolarHBondContact O-N 3.22Å; S163-N167 VanDerWaalsContact O-N 3.11Å; L164-N167 WeakPolarHBondContact CA-O 3.27Å; N167-R169 PolarHBondContact O-N 3.45Å
168	N	82.9	Confident	82	Confident	86 Å²	86	70.8 Å²	70.8	46%	0.46	36%	0.356	S	S	.	.	S	Bend	trans	-71	43.5	-177.1	-54.8	54.4	0	0	0	114.6	V176 V177	N168-V176 WeakPolarHBondContact O-CA 3.42Å; N168-V177 PolarHBondContact O-N 2.83Å
169	R	82.8	Confident	81.3	Confident	105 Å²	105	69.2 Å²	69.2	40%	0.396	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-141.9	138.9	-175.2	-62.8	-173.7	176	-93.2	-2.9	111.9	N167 P171 N174 Y175	N167-R169 PolarHBondContact O-N 3.45Å; R169-P171 WeakPolarHBondContact O-CD 3.48Å; R169-N174 WeakPolarHBondContact CD-OD1 3.18Å; R169-N174 PolarHBondContact NH1-O 3.24Å; R169-Y175 CarbonylContact C-O 3.57Å; R169-Y175 WeakPolarHBondContact CA-O 3.38Å
170	C	82.9	Confident	80.6	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.359	C	S	.	.			trans	-65.3	120.5	176.6	175.5	0	0	0	0	111.8	C151 K172 C173 N174 Y175 V177	C151-C170 PolarHBondContact SG-SG 3.43Å; C170-K172 PolarHBondContact O-N 3.05Å; C170-C173 PolarHBondContact O-N 3.08Å; C170-N174 WeakPolarHBondContact O-CA 3.44Å; C170-N174 PolarHBondContact O-N 3.24Å; C170-Y175 PolarHBondContact N-O 3.19Å; C170-V177 HydrophobicContact CB-CG2 4.5Å
171	P	81.9	Confident	80	Confident	64 Å²	64	76.4 Å²	76.4	42%	0.416	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.8	-175.7	-30.6	38.7	0	0	0	115.9	I138 F155 I160 S163 R169	I138-P171 HydrophobicContact CD1-CG 4.08Å; I138-P171 HydrophobicContact CG1-CB 4.44Å; I138-P171 HydrophobicContact CG1-CG 4.26Å; F155-P171 HydrophobicContact CE1-CB 4.36Å; F155-P171 HydrophobicContact CE1-CG 4.48Å; I160-P171 HydrophobicContact CD1-CG 4.35Å; S163-P171 VanDerWaalsContact OG-CG 3.23Å; S163-P171 WeakPolarHBondContact OG-CG 3.41Å; R169-P171 WeakPolarHBondContact O-CD 3.48Å
172	K	79.1	Confident	79.5	Confident	128 Å²	128	76.4 Å²	76.4	56%	0.557	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-18.8	-176	-175.2	161.6	168.9	174.4	0	114.6	P137 H153 F155 C170	P137-K172 HydrophobicContact CG-CD 4.26Å; H153-K172 HydrophobicContact CB-CB 4.35Å; H153-K172 HydrophobicContact CB-CD 4.42Å; H153-K172 VanDerWaalsContact CD2-CD 3.44Å; H153-K172 WeakPolarHBondContact CD2-CD 3.33Å; F155-K172 HydrophobicContact CE1-CB 4.48Å; F155-K172 HydrophobicContact CZ-CB 4.04Å; C170-K172 PolarHBondContact O-N 3.05Å
173	C	82.3	Confident	79.4	Confident	60 Å²	60	72.4 Å²	72.4	41%	0.405	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	7.4	-179.4	64.8	0	0	0	0	115.5	C151 H153 C170 Y175	C151-C173 PolarHBondContact SG-SG 2.88Å; H153-C173 PolarHBondContact ND1-SG 2.97Å; H153-C173 VanDerWaalsContact ND1-SG 3.44Å; C170-C173 PolarHBondContact O-N 3.08Å; C173-Y175 PolarHBondContact O-N 3.34Å
174	N	81.3	Confident	79.4	Confident	104 Å²	104	76.3 Å²	76.3	56%	0.556	38%	0.382	S	S	*	.			trans	60.9	11.5	177.1	-146.6	28.8	0	0	0	116	R169 C170	R169-N174 WeakPolarHBondContact CD-OD1 3.18Å; R169-N174 PolarHBondContact NH1-O 3.24Å; C170-N174 WeakPolarHBondContact O-CA 3.44Å; C170-N174 PolarHBondContact O-N 3.24Å
175	Y	82.8	Confident	79.6	Confident	121 Å²	121	78.3 Å²	78.3	48%	0.475	40%	0.396	S	S	.	.			trans	-62.9	132.9	174.9	-176.8	-89.8	0	0	0	110.6	K150 C151 R169 C170 C173	K150-Y175 HydrophobicContact CB-CE1 4.22Å; C151-Y175 HydrophobicContact CB-CD1 4Å; C151-Y175 HydrophobicContact CB-CG 3.93Å; R169-Y175 CarbonylContact C-O 3.57Å; R169-Y175 WeakPolarHBondContact CA-O 3.38Å; C170-Y175 PolarHBondContact N-O 3.19Å; C173-Y175 PolarHBondContact O-N 3.34Å
176	V	81.1	Confident	79.8	Confident	53 Å²	53	74.3 Å²	74.3	32%	0.321	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-70.2	136.2	-176.7	-173.2	0	0	0	0	110.4	N168 D178	N168-V176 WeakPolarHBondContact O-CA 3.42Å; V176-D178 WeakPolarHBondContact CG1-OD1 3.43Å
177	V	80.6	Confident	80.2	Confident	4 Å²	4	76 Å²	76	2%	0.024	38%	0.38	C	S	.	.			trans	-123.4	93.9	176	-176.2	0	0	0	0	107.3	T149 L164 N168 C170 N179 H182	T149-V177 HydrophobicContact CG2-CG2 4.36Å; L164-V177 HydrophobicContact CD1-CB 4.3Å; L164-V177 HydrophobicContact CD1-CG1 3.88Å; L164-V177 HydrophobicContact CD2-CB 3.85Å; L164-V177 HydrophobicContact CD2-CG1 4.34Å; L164-V177 HydrophobicContact CD2-CG2 4.28Å; N168-V177 PolarHBondContact O-N 2.83Å; C170-V177 HydrophobicContact CB-CG2 4.5Å; V177-N179 PolarHBondContact O-N 3.15Å; V177-N179 VanDerWaalsContact O-N 3.15Å; V177-H182 HydrophobicContact CG1-CB 3.97Å
178	D	68.9	Low	80.2	Confident	108 Å²	108	77 Å²	77	58%	0.578	39%	0.385	S	S	*	.			trans	-70.1	-13	-165	-43.2	-81.7	0	0	0	114.8	V176	V176-D178 WeakPolarHBondContact CG1-OD1 3.43Å
179	N	73.6	Confident	80.1	Confident	90 Å²	90	74.1 Å²	74.1	48%	0.481	37%	0.37	S	S	.	.			trans	-157.7	150	-178.5	-136.7	22.6	0	0	0	110.8	V177 D181 H182	V177-N179 PolarHBondContact O-N 3.15Å; V177-N179 VanDerWaalsContact O-N 3.15Å; N179-D181 VanDerWaalsContact C-N 3.28Å; N179-D181 PolarHBondContact ND2-OD2 3.5Å; N179-D181 PolarHBondContact O-N 3.37Å; N179-H182 VanDerWaalsContact O-CB 3.31Å; N179-H182 WeakPolarHBondContact O-CB 3.47Å; N179-H182 PolarHBondContact O-N 2.87Å
180	I	71.7	Confident	80.1	Confident	60 Å²	60	71 Å²	71	31%	0.308	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-66.7	-29	-178.2	-63.7	178.1	0	0	0	111.8	H182 L183	I180-H182 PolarHBondContact O-N 3.14Å; I180-L183 HydrophobicContact CG2-CD1 4.2Å; I180-L183 WeakPolarHBondContact O-CB 3.28Å; I180-L183 WeakPolarHBondContact O-CG 3.4Å; I180-L183 PolarHBondContact O-N 3.29Å
181	D	72.9	Confident	80.1	Confident	120 Å²	120	75.7 Å²	75.7	64%	0.642	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-60.5	-4.7	173.2	-48	-53.8	0	0	0	114.5	N179 L183	N179-D181 VanDerWaalsContact C-N 3.28Å; N179-D181 PolarHBondContact ND2-OD2 3.5Å; N179-D181 PolarHBondContact O-N 3.37Å; D181-L183 VanDerWaalsContact C-N 3.34Å
182	H	74.1	Confident	80.1	Confident	44 Å²	44	76.3 Å²	76.3	20%	0.204	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-93.4	11.9	174.4	-59.1	151.3	0	0	0	113.5	K150 V177 N179 I180 Y184	K150-H182 HydrophobicContact CD-CB 4.04Å; K150-H182 WeakPolarHBondContact CE-CD2 3.25Å; K150-H182 VanDerWaalsContact CE-CG 3.42Å; K150-H182 HydrophobicContact CG-CB 4.24Å; K150-H182 PolarHBondContact NZ-CD2 3.4Å; K150-H182 PolarHBondContact NZ-CE1 3.22Å; K150-H182 PolarHBondContact NZ-ND1 3.46Å; K150-H182 PolarHBondContact NZ-NE2 2.96Å; V177-H182 HydrophobicContact CG1-CB 3.97Å; N179-H182 VanDerWaalsContact O-CB 3.31Å; N179-H182 WeakPolarHBondContact O-CB 3.47Å; N179-H182 PolarHBondContact O-N 2.87Å; I180-H182 PolarHBondContact O-N 3.14Å; H182-Y184 WeakPolarHBondContact O-CE2 3.38Å
183	L	83.1	Confident	80.2	Confident	16 Å²	16	70.4 Å²	70.4	8%	0.084	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.7	165.5	-66.1	177.7	0	0	0	110.5	Y147 T149 I160 L164 I180 D181	Y147-L183 HydrophobicContact CD1-CB 4.08Å; T149-L183 HydrophobicContact CG2-CD2 3.77Å; I160-L183 HydrophobicContact CG1-CD2 3.78Å; I160-L183 HydrophobicContact CG2-CD1 3.92Å; I160-L183 HydrophobicContact CG2-CD2 3.93Å; L164-L183 HydrophobicContact CD1-CD1 4.17Å; L164-L183 HydrophobicContact CD1-CD2 3.92Å; L164-L183 HydrophobicContact CD1-CG 4.11Å; I180-L183 HydrophobicContact CG2-CD1 4.2Å; I180-L183 WeakPolarHBondContact O-CB 3.28Å; I180-L183 WeakPolarHBondContact O-CG 3.4Å; I180-L183 PolarHBondContact O-N 3.29Å; D181-L183 VanDerWaalsContact C-N 3.34Å
184	Y	85.1	Confident	80	Confident	108 Å²	108	72.7 Å²	72.7	42%	0.424	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.2	-179.7	-54.4	-76.3	0	0	0	110.7	Y147 M148 K150 H182 N186	Y147-Y184 CarbonylContact C-O 3.47Å; Y147-Y184 WeakPolarHBondContact CA-O 2.76Å; M148-Y184 PolarHBondContact N-O 3.36Å; M148-Y184 PolarHBondContact O-N 3.3Å; K150-Y184 HydrophobicContact CG-CE2 3.9Å; H182-Y184 WeakPolarHBondContact O-CE2 3.38Å; Y184-N186 PolarHBondContact O-N 3.17Å
185	P	86.2	Confident	80	Confident	51 Å²	51	71.8 Å²	71.8	33%	0.331	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	125.6	175.3	-16.3	26.8	0	0	0	111.1	Y147 F187	Y147-P185 HydrophobicContact CD1-CG 4.29Å; Y147-P185 HydrophobicContact CE1-CB 4.14Å; Y147-P185 HydrophobicContact CE1-CG 3.62Å; P185-F187 HydrophobicContact CB-CD2 4.35Å; P185-F187 HydrophobicContact CB-CE1 4.26Å; P185-F187 HydrophobicContact CB-CE2 3.79Å; P185-F187 HydrophobicContact CB-CZ 3.74Å; P185-F187 HydrophobicContact CG-CE2 4.34Å; P185-F187 HydrophobicContact CG-CZ 4.23Å; P185-F187 WeakPolarHBondContact O-CD2 3.31Å; P185-F187 PolarHBondContact O-N 2.83Å
186	N	85.1	Confident	79.6	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.112	34%	0.34	C	S	.	.			trans	-95.6	75.7	-179.3	-168.5	-16.6	0	0	0	110.8	A146 M148 S154 Y184 L188 V189 N190	A146-N186 HydrophobicContact CB-CB 4.1Å; A146-N186 PolarHBondContact O-N 3.34Å; M148-N186 HydrophobicContact CB-CB 4.3Å; M148-N186 HydrophobicContact CG-CB 4.31Å; M148-N186 HydrophobicContact SD-CB 4.25Å; S154-N186 PolarHBondContact OG-ND2 3.18Å; Y184-N186 PolarHBondContact O-N 3.17Å; N186-L188 PolarHBondContact O-N 3.24Å; N186-V189 HydrophobicContact CB-CB 4.29Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.45Å; N186-V189 PolarHBondContact O-N 2.88Å; N186-V189 VanDerWaalsContact O-N 3.14Å; N186-V189 PolarHBondContact OD1-N 2.86Å; N186-N190 PolarHBondContact O-N 3.45Å
187	F	86.2	Confident	79.4	Confident	153 Å²	153	68.5 Å²	68.5	67%	0.671	34%	0.34	S	S	*	.	H	α-helix	trans	-54.8	-35.9	-178.8	-60.8	-76.6	0	0	0	113.6	P185 N190 E191	P185-F187 HydrophobicContact CB-CD2 4.35Å; P185-F187 HydrophobicContact CB-CE1 4.26Å; P185-F187 HydrophobicContact CB-CE2 3.79Å; P185-F187 HydrophobicContact CB-CZ 3.74Å; P185-F187 HydrophobicContact CG-CE2 4.34Å; P185-F187 HydrophobicContact CG-CZ 4.23Å; P185-F187 WeakPolarHBondContact O-CD2 3.31Å; P185-F187 PolarHBondContact O-N 2.83Å; F187-N190 PolarHBondContact O-N 2.98Å; F187-E191 WeakPolarHBondContact O-CB 3.46Å; F187-E191 PolarHBondContact O-N 3.32Å
188	L	79.8	Confident	79	Confident	121 Å²	121	73.7 Å²	73.7	63%	0.634	36%	0.364	S	S	*	.	H	α-helix	trans	-65.8	-42.5	178.7	179.5	62.8	0	0	0	111.9	N186 E191 L192	N186-L188 PolarHBondContact O-N 3.24Å; L188-E191 WeakPolarHBondContact O-CB 3.39Å; L188-E191 PolarHBondContact O-N 3.28Å; L188-L192 HydrophobicContact CG-CD1 4.37Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.22Å; L188-L192 VanDerWaalsContact O-N 3.11Å
189	V	81.6	Confident	79	Confident	26 Å²	26	75.4 Å²	75.4	16%	0.158	36%	0.362	C	S	.	.	H	α-helix	trans	-69	-38	176.3	169.2	0	0	0	0	110.8	A146 N186 E191 L192 I193	A146-V189 HydrophobicContact CB-CB 4.02Å; A146-V189 HydrophobicContact CB-CG1 3.7Å; N186-V189 HydrophobicContact CB-CB 4.29Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.45Å; N186-V189 PolarHBondContact O-N 2.88Å; N186-V189 VanDerWaalsContact O-N 3.14Å; N186-V189 PolarHBondContact OD1-N 2.86Å; V189-E191 PolarHBondContact O-N 3.43Å; V189-L192 PolarHBondContact O-N 2.93Å; V189-I193 HydrophobicContact CG1-CD1 3.59Å; V189-I193 HydrophobicContact CG1-CG1 4.21Å; V189-I193 WeakPolarHBondContact O-CB 3.46Å; V189-I193 WeakPolarHBondContact O-CD1 3.31Å; V189-I193 WeakPolarHBondContact O-CG1 3.39Å; V189-I193 PolarHBondContact O-N 2.74Å
190	N	82.8	Confident	78.6	Confident	38 Å²	38	77 Å²	77	20%	0.203	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-45.1	172.4	-71.1	-31	0	0	0	112.5	A146 N186 F187 L192 I193 L194	A146-N190 WeakPolarHBondContact CB-OD1 3.29Å; A146-N190 PolarHBondContact N-OD1 3.42Å; N186-N190 PolarHBondContact O-N 3.45Å; F187-N190 PolarHBondContact O-N 2.98Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.22Å; N190-I193 PolarHBondContact O-N 2.89Å; N190-L194 WeakPolarHBondContact O-CG 3.15Å; N190-L194 PolarHBondContact O-N 3.36Å
191	E	82.3	Confident	78.1	Confident	100 Å²	100	80 Å²	80	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-57.4	-43.1	175.2	-117.8	-96.5	149.2	0	0	112.2	F187 L188 V189 K195	F187-E191 WeakPolarHBondContact O-CB 3.46Å; F187-E191 PolarHBondContact O-N 3.32Å; L188-E191 WeakPolarHBondContact O-CB 3.39Å; L188-E191 PolarHBondContact O-N 3.28Å; V189-E191 PolarHBondContact O-N 3.43Å; E191-K195 PolarHBondContact O-N 3.32Å; E191-K195 IonicContact OE1-NZ 2.67Å; E191-K195 PolarHBondContact OE1-NZ 3.12Å; E191-K195 VanDerWaalsContact OE1-NZ 3.12Å; E191-K195 IonicContact OE2-NZ 2.94Å; E191-K195 PolarHBondContact OE2-NZ 2.82Å
192	L	81.2	Confident	77.5	Confident	77 Å²	77	79.2 Å²	79.2	40%	0.403	37%	0.371	S	S	.	.	H	α-helix	trans	-72	-38.5	177.9	-68.3	170	0	0	0	112.6	F134 L188 V189 N190 K195 Q196	F134-L192 HydrophobicContact CE1-CB 3.54Å; F134-L192 HydrophobicContact CE1-CD1 4.39Å; F134-L192 HydrophobicContact CZ-CB 3.93Å; L188-L192 HydrophobicContact CG-CD1 4.37Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.22Å; L188-L192 VanDerWaalsContact O-N 3.11Å; V189-L192 PolarHBondContact O-N 2.93Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.22Å; L192-K195 PolarHBondContact O-N 2.95Å; L192-Q196 WeakPolarHBondContact O-CB 3.26Å; L192-Q196 PolarHBondContact O-N 3.5Å
193	I	81.6	Confident	76.6	Confident	4 Å²	4	84 Å²	84	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-45.9	173.8	-70.6	159.4	0	0	0	110.5	F134 M142 I143 A146 V189 N190 K195 Q196 K197	F134-I193 HydrophobicContact CB-CG1 4.05Å; F134-I193 HydrophobicContact CD1-CG1 3.69Å; F134-I193 HydrophobicContact CG-CG1 4.16Å; M142-I193 HydrophobicContact CG-CG2 4.16Å; M142-I193 HydrophobicContact SD-CG2 4.08Å; I143-I193 HydrophobicContact CB-CD1 3.67Å; I143-I193 HydrophobicContact CG2-CD1 3.86Å; A146-I193 HydrophobicContact CB-CD1 4.35Å; V189-I193 HydrophobicContact CG1-CD1 3.59Å; V189-I193 HydrophobicContact CG1-CG1 4.21Å; V189-I193 WeakPolarHBondContact O-CB 3.46Å; V189-I193 WeakPolarHBondContact O-CD1 3.31Å; V189-I193 WeakPolarHBondContact O-CG1 3.39Å; V189-I193 PolarHBondContact O-N 2.74Å; N190-I193 PolarHBondContact O-N 2.89Å; I193-K195 PolarHBondContact O-N 3.49Å; I193-Q196 CarbonylContact O-C 3.59Å; I193-Q196 WeakPolarHBondContact O-CB 3.46Å; I193-Q196 PolarHBondContact O-N 2.72Å; I193-Q196 VanDerWaalsContact O-N 3.1Å; I193-K197 HydrophobicContact CG2-CD 4.03Å; I193-K197 HydrophobicContact CG2-CG 4.33Å; I193-K197 WeakPolarHBondContact O-CG 3.49Å; I193-K197 PolarHBondContact O-N 2.91Å
194	L	78.6	Confident	75	Confident	108 Å²	108	91 Å²	91	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-60.9	-44.5	178.4	-72	167.4	0	0	0	111.3	N190 Q196 K197 Q198	N190-L194 WeakPolarHBondContact O-CG 3.15Å; N190-L194 PolarHBondContact O-N 3.36Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 3Å; L194-K197 PolarHBondContact O-N 3.12Å; L194-Q198 WeakPolarHBondContact O-CG 3.48Å; L194-Q198 PolarHBondContact O-N 3.48Å
195	K	79.9	Confident	73	Confident	85 Å²	85	92 Å²	92	37%	0.37	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-31.2	173.5	-77.3	165.2	-178.6	159.1	0	113	E191 L192 I193 R199	E191-K195 PolarHBondContact O-N 3.32Å; E191-K195 IonicContact OE1-NZ 2.67Å; E191-K195 PolarHBondContact OE1-NZ 3.12Å; E191-K195 VanDerWaalsContact OE1-NZ 3.12Å; E191-K195 IonicContact OE2-NZ 2.94Å; E191-K195 PolarHBondContact OE2-NZ 2.82Å; L192-K195 PolarHBondContact O-N 2.95Å; I193-K195 PolarHBondContact O-N 3.49Å; K195-R199 VanDerWaalsContact O-CG 3.26Å; K195-R199 WeakPolarHBondContact O-CG 3.46Å; K195-R199 PolarHBondContact O-N 3.08Å
196	Q	76.2	Confident	71	Confident	32 Å²	32	96 Å²	96	15%	0.15	44%	0.435	C	S	.	.	H	α-helix	trans	-74	-40.9	175	-170	75.9	-25.7	0	0	111.8	K130 F134 M142 L192 I193 L194 R199 F200	K130-Q196 PolarHBondContact O-NE2 3.23Å; F134-Q196 HydrophobicContact CD2-CB 4.3Å; F134-Q196 HydrophobicContact CD2-CG 3.94Å; F134-Q196 HydrophobicContact CE2-CB 4.38Å; F134-Q196 HydrophobicContact CE2-CG 4.21Å; M142-Q196 HydrophobicContact CE-CG 4.44Å; L192-Q196 WeakPolarHBondContact O-CB 3.26Å; L192-Q196 PolarHBondContact O-N 3.5Å; I193-Q196 CarbonylContact O-C 3.59Å; I193-Q196 WeakPolarHBondContact O-CB 3.46Å; I193-Q196 PolarHBondContact O-N 2.72Å; I193-Q196 VanDerWaalsContact O-N 3.1Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 3Å; Q196-R199 PolarHBondContact O-N 2.86Å; Q196-F200 WeakPolarHBondContact O-CB 3.38Å; Q196-F200 PolarHBondContact O-N 3.06Å
197	K	75.4	Confident	68.9	Low	72 Å²	72	100.6 Å²	100.6	31%	0.313	46%	0.459	S	S	.	.	H	α-helix	trans	-59.2	-50	173.8	-73.5	178.7	179.3	175.8	0	110.6	M142 I193 L194 R199 F200 E201	M142-K197 HydrophobicContact SD-CD 4.11Å; M142-K197 WeakPolarHBondContact SD-CE 3.49Å; M142-K197 HydrophobicContact SD-CG 3.52Å; M142-K197 VanDerWaalsContact SD-CG 3.52Å; I193-K197 HydrophobicContact CG2-CD 4.03Å; I193-K197 HydrophobicContact CG2-CG 4.33Å; I193-K197 WeakPolarHBondContact O-CG 3.49Å; I193-K197 PolarHBondContact O-N 2.91Å; L194-K197 PolarHBondContact O-N 3.12Å; K197-R199 PolarHBondContact O-N 2.88Å; K197-F200 WeakPolarHBondContact O-CA 3.49Å; K197-F200 WeakPolarHBondContact O-CB 3.27Å; K197-F200 PolarHBondContact O-N 3.03Å; K197-E201 WeakPolarHBondContact O-CG 3.26Å; K197-E201 PolarHBondContact O-N 3.3Å
198	Q	72.8	Confident	66.4	Low	114 Å²	114	98 Å²	98	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-56	-45.4	174.8	-73.2	174.7	-19.1	0	0	112.8	L194 F200 E201 E202	L194-Q198 WeakPolarHBondContact O-CG 3.48Å; L194-Q198 PolarHBondContact O-N 3.48Å; Q198-F200 VanDerWaalsContact C-N 3.25Å; Q198-F200 PolarHBondContact O-N 3.29Å; Q198-E201 PolarHBondContact O-N 2.9Å; Q198-E202 PolarHBondContact O-N 3.48Å
199	R	69.9	Low	64.4	Low	143 Å²	143	97.1 Å²	97.1	54%	0.54	44%	0.444	S	S	.	.	H	α-helix	trans	-64.5	-27.8	174.5	-73	172.7	-170.7	171.8	3.2	113.4	K195 Q196 K197 K203	K195-R199 VanDerWaalsContact O-CG 3.26Å; K195-R199 WeakPolarHBondContact O-CG 3.46Å; K195-R199 PolarHBondContact O-N 3.08Å; Q196-R199 PolarHBondContact O-N 2.86Å; K197-R199 PolarHBondContact O-N 2.88Å; R199-K203 WeakPolarHBondContact O-CB 3.47Å; R199-K203 VanDerWaalsContact O-CG 3.23Å; R199-K203 WeakPolarHBondContact O-CG 3.48Å; R199-K203 PolarHBondContact O-N 3Å; R199-K203 VanDerWaalsContact O-N 3.1Å
200	F	65.1	Low	62.3	Low	124 Å²	124	99.8 Å²	99.8	54%	0.544	47%	0.465	S	S	.	.	H	α-helix	trans	-77.2	-37.6	177.2	-146.3	-84.5	0	0	0	111.1	Q196 K197 Q198 K203 R204	Q196-F200 WeakPolarHBondContact O-CB 3.38Å; Q196-F200 PolarHBondContact O-N 3.06Å; K197-F200 WeakPolarHBondContact O-CA 3.49Å; K197-F200 WeakPolarHBondContact O-CB 3.27Å; K197-F200 PolarHBondContact O-N 3.03Å; Q198-F200 VanDerWaalsContact C-N 3.25Å; Q198-F200 PolarHBondContact O-N 3.29Å; F200-K203 PolarHBondContact O-N 2.99Å; F200-R204 PolarHBondContact O-N 2.82Å
201	E	61.4	Low	60.2	Low	122 Å²	122	104.2 Å²	104.2	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-65.4	-45.7	171.8	-68.1	168.9	149.9	0	0	111.4	K197 Q198 K203 R204 F205	K197-E201 WeakPolarHBondContact O-CG 3.26Å; K197-E201 PolarHBondContact O-N 3.3Å; Q198-E201 PolarHBondContact O-N 2.9Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 PolarHBondContact O-N 3.44Å; E201-R204 WeakPolarHBondContact O-CB 3.39Å; E201-R204 PolarHBondContact O-N 3.42Å; E201-F205 PolarHBondContact O-N 3.44Å
202	E	58.6	Low	58.1	Low	104 Å²	104	101.2 Å²	101.2	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-56.4	-40.2	170.3	-80.5	-170.4	-148.4	0	0	112.6	Q198 F205 K206	Q198-E202 PolarHBondContact O-N 3.48Å; E202-F205 PolarHBondContact O-N 2.85Å; E202-K206 WeakPolarHBondContact O-CB 3.28Å; E202-K206 WeakPolarHBondContact O-CD 3.28Å; E202-K206 VanDerWaalsContact O-CG 3.3Å; E202-K206 WeakPolarHBondContact O-CG 3.4Å; E202-K206 PolarHBondContact O-N 3.02Å; E202-K206 IonicContact OE2-NZ 3.91Å; E202-K206 PolarHBondContact OE2-NZ 3.42Å
203	K	55.5	Low	56.3	Low	144 Å²	144	102.1 Å²	102.1	63%	0.626	50%	0.495	S	S	*	.	H	α-helix	trans	-69	-37.8	177.4	-82	175.4	176.8	-174.1	0	111.9	R199 F200 E201 K206 L207	R199-K203 WeakPolarHBondContact O-CB 3.47Å; R199-K203 VanDerWaalsContact O-CG 3.23Å; R199-K203 WeakPolarHBondContact O-CG 3.48Å; R199-K203 PolarHBondContact O-N 3Å; R199-K203 VanDerWaalsContact O-N 3.1Å; F200-K203 PolarHBondContact O-N 2.99Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 PolarHBondContact O-N 3.44Å; K203-K206 PolarHBondContact O-N 3.34Å; K203-L207 WeakPolarHBondContact O-CB 3.45Å; K203-L207 PolarHBondContact O-N 3.31Å
204	R	49	Very low	54.5	Low	165 Å²	165	107.7 Å²	107.7	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-59.3	-51.6	170.1	-88	-178.7	59.9	150.5	-4.1	110.9	F200 E201 K206 L207 D208	F200-R204 PolarHBondContact O-N 2.82Å; E201-R204 WeakPolarHBondContact O-CB 3.39Å; E201-R204 PolarHBondContact O-N 3.42Å; R204-K206 PolarHBondContact O-N 2.92Å; R204-L207 PolarHBondContact O-N 3.16Å; R204-D208 PolarHBondContact O-N 2.79Å
205	F	44.5	Very low	52.8	Low	128 Å²	128	106.7 Å²	106.7	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-53.1	-40.7	176.5	-111.9	-88.6	0	0	0	113.1	E201 E202 H209	E201-F205 PolarHBondContact O-N 3.44Å; E202-F205 PolarHBondContact O-N 2.85Å; F205-H209 PolarHBondContact O-N 2.84Å
206	K	43.3	Very low	51.2	Low	135 Å²	135	103.2 Å²	103.2	59%	0.587	51%	0.513	S	S	*	.	H	α-helix	trans	-74.1	-30.2	177.1	-71.4	161.5	-174.4	160.7	0	113	E202 K203 R204	E202-K206 WeakPolarHBondContact O-CB 3.28Å; E202-K206 WeakPolarHBondContact O-CD 3.28Å; E202-K206 VanDerWaalsContact O-CG 3.3Å; E202-K206 WeakPolarHBondContact O-CG 3.4Å; E202-K206 PolarHBondContact O-N 3.02Å; E202-K206 IonicContact OE2-NZ 3.91Å; E202-K206 PolarHBondContact OE2-NZ 3.42Å; K203-K206 PolarHBondContact O-N 3.34Å; R204-K206 PolarHBondContact O-N 2.92Å
207	L	41.3	Very low	49.8	Very low	117 Å²	117	108.5 Å²	108.5	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-77.2	-41.9	177.3	-161.1	70.7	0	0	0	111.7	K203 R204 H209 S210	K203-L207 WeakPolarHBondContact O-CB 3.45Å; K203-L207 PolarHBondContact O-N 3.31Å; R204-L207 PolarHBondContact O-N 3.16Å; L207-H209 PolarHBondContact O-N 3.34Å; L207-S210 WeakPolarHBondContact O-CB 3.43Å; L207-S210 PolarHBondContact O-N 2.72Å; L207-S210 PolarHBondContact O-OG 2.89Å
208	D	33.2	Very low	48.5	Very low	98 Å²	98	110.1 Å²	110.1	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-59.7	-34.6	175.5	-70.6	-38.6	0	0	0	111.5	R204 S210 S212	R204-D208 PolarHBondContact O-N 2.79Å; D208-S210 VanDerWaalsContact C-N 3.3Å; D208-S210 PolarHBondContact O-N 3.27Å; D208-S212 WeakPolarHBondContact O-CB 3.47Å; D208-S212 PolarHBondContact O-N 3.33Å
209	H	38.8	Very low	47.3	Very low	103 Å²	103	111.5 Å²	111.5	48%	0.477	54%	0.542	S	S	.	.	H	α-helix	trans	-61.5	-32.1	171.3	-99.1	52.4	0	0	0	114	F205 L207 Q220	F205-H209 PolarHBondContact O-N 2.84Å; L207-H209 PolarHBondContact O-N 3.34Å; H209-Q220 PolarHBondContact CE1-OE1 2.69Å
210	S	37.1	Very low	46.4	Very low	83 Å²	83	107.9 Å²	107.9	58%	0.58	53%	0.531	S	S	*	.	H	α-helix	trans	-76.5	-25.4	-175.2	73.5	0	0	0	0	114.2	L207 D208	L207-S210 WeakPolarHBondContact O-CB 3.43Å; L207-S210 PolarHBondContact O-N 2.72Å; L207-S210 PolarHBondContact O-OG 2.89Å; D208-S210 VanDerWaalsContact C-N 3.3Å; D208-S210 PolarHBondContact O-N 3.27Å
211	V	38.6	Very low	45.8	Very low	130 Å²	130	107.3 Å²	107.3	79%	0.788	53%	0.533	S	S	*	.	H	α-helix	trans	-95.9	-15.9	178.1	-174.5	0	0	0	0	111.4
212	S	38.2	Very low	45.3	Very low	38 Å²	38	103.4 Å²	103.4	27%	0.266	51%	0.514	S	S	.	.			trans	-103.8	32.5	-171.4	-153	0	0	0	0	114.2	D208 T214 N215 G216	D208-S212 WeakPolarHBondContact O-CB 3.47Å; D208-S212 PolarHBondContact O-N 3.33Å; S212-T214 PolarHBondContact O-N 3.21Å; S212-N215 PolarHBondContact O-N 2.8Å; S212-N215 VanDerWaalsContact O-N 3.08Å; S212-N215 WeakPolarHBondContact OG-CB 3.43Å; S212-G216 PolarHBondContact O-N 3.35Å; S212-G216 PolarHBondContact OG-N 3.43Å
213	S	42.4	Very low	44.9	Very low	95 Å²	95	102.7 Å²	102.7	66%	0.664	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-6.7	-173.9	-166.3	0	0	0	0	115.9
214	T	44.6	Very low	44.7	Very low	122 Å²	122	102 Å²	102	75%	0.748	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-20.4	171.4	52.2	0	0	0	0	114.2	S212	S212-T214 PolarHBondContact O-N 3.21Å
215	N	42.6	Very low	44.7	Very low	87 Å²	87	99.2 Å²	99.2	47%	0.465	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-27.4	-175.9	-77.8	-16	0	0	0	113.5	S212 H217 R218 W219	S212-N215 PolarHBondContact O-N 2.8Å; S212-N215 VanDerWaalsContact O-N 3.08Å; S212-N215 WeakPolarHBondContact OG-CB 3.43Å; N215-H217 VanDerWaalsContact C-N 3.35Å; N215-H217 PolarHBondContact O-N 3.4Å; N215-R218 WeakPolarHBondContact O-CB 3.33Å; N215-R218 PolarHBondContact O-N 2.71Å; N215-R218 VanDerWaalsContact O-N 3.08Å; N215-W219 PolarHBondContact O-N 2.97Å; N215-W219 VanDerWaalsContact O-N 3.14Å
216	G	46	Very low	45.1	Very low	11 Å²	11	99.6 Å²	99.6	11%	0.113	51%	0.51	C	S	.	.	H	α-helix	trans	-61.8	-40.8	-179.6	0	0	0	0	0	112.4	S212 R218 W219 Q220	S212-G216 PolarHBondContact O-N 3.35Å; S212-G216 PolarHBondContact OG-N 3.43Å; G216-R218 VanDerWaalsContact C-N 3.26Å; G216-R218 PolarHBondContact O-N 3.17Å; G216-W219 PolarHBondContact O-N 3.29Å; G216-Q220 PolarHBondContact O-N 3.47Å
217	H	48	Very low	45.4	Very low	143 Å²	143	96.3 Å²	96.3	66%	0.662	52%	0.515	S	S	*	.	H	α-helix	trans	-58.3	-35.4	173.2	-74.3	-68.8	0	0	0	113.1	N215 I221	N215-H217 VanDerWaalsContact C-N 3.35Å; N215-H217 PolarHBondContact O-N 3.4Å; H217-I221 VanDerWaalsContact O-CD1 3.28Å; H217-I221 WeakPolarHBondContact O-CD1 3.1Å; H217-I221 VanDerWaalsContact O-CG1 3.23Å; H217-I221 WeakPolarHBondContact O-CG1 3.26Å; H217-I221 PolarHBondContact O-N 2.75Å
218	R	47.6	Very low	45.8	Very low	107 Å²	107	95.4 Å²	95.4	40%	0.404	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-37	173.1	-84.1	179	157.6	-165.5	-10.2	112	N215 G216 F222	N215-R218 WeakPolarHBondContact O-CB 3.33Å; N215-R218 PolarHBondContact O-N 2.71Å; N215-R218 VanDerWaalsContact O-N 3.08Å; G216-R218 VanDerWaalsContact C-N 3.26Å; G216-R218 PolarHBondContact O-N 3.17Å; R218-F222 PolarHBondContact O-N 3.1Å
219	W	46.7	Very low	46.4	Very low	142 Å²	142	98.6 Å²	98.6	54%	0.538	53%	0.531	S	S	.	.	H	α-helix	trans	-72.6	-40.9	-179.1	-167.7	-105	0	0	0	113.2	N215 G216 I221 F222 Q223	N215-W219 PolarHBondContact O-N 2.97Å; N215-W219 VanDerWaalsContact O-N 3.14Å; G216-W219 PolarHBondContact O-N 3.29Å; W219-I221 VanDerWaalsContact C-N 3.34Å; W219-I221 PolarHBondContact O-N 3.05Å; W219-F222 WeakPolarHBondContact O-CB 3.32Å; W219-F222 PolarHBondContact O-N 2.87Å; W219-F222 VanDerWaalsContact O-N 3.14Å; W219-Q223 PolarHBondContact O-N 2.94Å
220	Q	51	Low	47.1	Very low	67 Å²	67	102.7 Å²	102.7	31%	0.313	55%	0.551	S	S	.	*	H	α-helix	trans	-58.7	-45.3	174.1	-119.7	61.4	38.7	0	0	111.6	H209 G216 F222 Q223 D224	H209-Q220 PolarHBondContact CE1-OE1 2.69Å; G216-Q220 PolarHBondContact O-N 3.47Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 2.92Å; Q220-Q223 PolarHBondContact O-N 3.3Å; Q220-Q223 VanDerWaalsContact O-N 3.09Å; Q220-D224 PolarHBondContact O-N 2.9Å; Q220-D224 VanDerWaalsContact O-N 3.09Å
221	I	52.5	Low	47.8	Very low	113 Å²	113	105.8 Å²	105.8	58%	0.579	56%	0.561	S	S	*	*	H	α-helix	trans	-58.9	-40.6	175.2	-68.3	167.8	0	0	0	111.1	H217 W219 Q223 W225	H217-I221 VanDerWaalsContact O-CD1 3.28Å; H217-I221 WeakPolarHBondContact O-CD1 3.1Å; H217-I221 VanDerWaalsContact O-CG1 3.23Å; H217-I221 WeakPolarHBondContact O-CG1 3.26Å; H217-I221 PolarHBondContact O-N 2.75Å; W219-I221 VanDerWaalsContact C-N 3.34Å; W219-I221 PolarHBondContact O-N 3.05Å; I221-Q223 VanDerWaalsContact C-N 3.35Å; I221-Q223 PolarHBondContact O-N 2.81Å; I221-W225 VanDerWaalsContact O-CB 3.22Å; I221-W225 WeakPolarHBondContact O-CB 3.01Å; I221-W225 PolarHBondContact O-N 2.71Å
222	F	51.3	Low	48.5	Very low	39 Å²	39	107 Å²	107	17%	0.171	56%	0.563	C	S	.	*	H	α-helix	trans	-63.9	-35.3	175.3	-104.7	-89.1	0	0	0	113.3	R218 W219 Q220 L226 L240 M241	R218-F222 PolarHBondContact O-N 3.1Å; W219-F222 WeakPolarHBondContact O-CB 3.32Å; W219-F222 PolarHBondContact O-N 2.87Å; W219-F222 VanDerWaalsContact O-N 3.14Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 2.92Å; F222-L226 WeakPolarHBondContact O-CD1 3.43Å; F222-L226 WeakPolarHBondContact O-CG 3.26Å; F222-L226 PolarHBondContact O-N 2.8Å; F222-L226 VanDerWaalsContact O-N 3.15Å; F222-L240 HydrophobicContact CE2-CD2 4.37Å; F222-M241 HydrophobicContact CE1-CB 4.19Å; F222-M241 HydrophobicContact CE1-CG 4.29Å; F222-M241 HydrophobicContact CE1-SD 4.35Å; F222-M241 HydrophobicContact CZ-CB 3.98Å; F222-M241 HydrophobicContact CZ-CG 4.47Å
223	Q	51.2	Low	49.5	Very low	90 Å²	90	109.7 Å²	109.7	42%	0.421	57%	0.574	S	S	.	*	H	α-helix	trans	-72.5	-42.1	178.4	-68.2	-166.5	-70.5	0	0	112.6	W219 Q220 I221 W225	W219-Q223 PolarHBondContact O-N 2.94Å; Q220-Q223 PolarHBondContact O-N 3.3Å; Q220-Q223 VanDerWaalsContact O-N 3.09Å; I221-Q223 VanDerWaalsContact C-N 3.35Å; I221-Q223 PolarHBondContact O-N 2.81Å; Q223-W225 VanDerWaalsContact C-N 3.32Å; Q223-W225 PolarHBondContact O-N 3.1Å
224	D	50.2	Low	50.6	Low	128 Å²	128	109.9 Å²	109.9	68%	0.684	57%	0.567	S	S	*	*	H	α-helix	trans	-65	-37.6	174.7	-72.4	-22	0	0	0	111.4	Q220 G227	Q220-D224 PolarHBondContact O-N 2.9Å; Q220-D224 VanDerWaalsContact O-N 3.09Å; D224-G227 PolarHBondContact O-N 3.24Å
225	W	48.9	Very low	51.7	Low	108 Å²	108	109.8 Å²	109.8	41%	0.409	56%	0.561	S	S	.	*	H	α-helix	trans	-74.2	-25.5	-177.8	-155.4	77	0	0	0	113.9	I221 Q223 G227 L233 N237	I221-W225 VanDerWaalsContact O-CB 3.22Å; I221-W225 WeakPolarHBondContact O-CB 3.01Å; I221-W225 PolarHBondContact O-N 2.71Å; Q223-W225 VanDerWaalsContact C-N 3.32Å; Q223-W225 PolarHBondContact O-N 3.1Å; W225-G227 PolarHBondContact O-N 2.73Å; W225-L233 HydrophobicContact CH2-CB 4.38Å; W225-L233 HydrophobicContact CH2-CD2 4.46Å; W225-L233 HydrophobicContact CH2-CG 3.95Å; W225-L233 HydrophobicContact CZ3-CD2 3.9Å; W225-L233 HydrophobicContact CZ3-CG 3.82Å; W225-N237 HydrophobicContact CH2-CB 4.11Å; W225-N237 VanDerWaalsContact CH2-ND2 3.27Å; W225-N237 WeakPolarHBondContact CH2-ND2 3.37Å; W225-N237 WeakPolarHBondContact CZ2-ND2 3.45Å; W225-N237 HydrophobicContact CZ3-CB 4.36Å
226	L	52.8	Low	52.7	Low	135 Å²	135	108.2 Å²	108.2	71%	0.707	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-7.4	170.8	-77.9	166	0	0	0	113.5	F222	F222-L226 WeakPolarHBondContact O-CD1 3.43Å; F222-L226 WeakPolarHBondContact O-CG 3.26Å; F222-L226 PolarHBondContact O-N 2.8Å; F222-L226 VanDerWaalsContact O-N 3.15Å
227	G	50	Low	53.8	Low	66 Å²	66	110.2 Å²	110.2	68%	0.68	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-7.7	-179.7	0	0	0	0	0	115.6	D224 W225	D224-G227 PolarHBondContact O-N 3.24Å; W225-G227 PolarHBondContact O-N 2.73Å
228	T	49.4	Very low	55.2	Low	99 Å²	99	106.2 Å²	106.2	61%	0.607	56%	0.555	S	S	*	*	S	Bend	trans	-119.9	117.1	-175.1	53.2	0	0	0	0	112.2
229	D	46.2	Very low	56.5	Low	165 Å²	165	105.1 Å²	105.1	88%	0.882	56%	0.557	S	S	*	*			trans	24.2	112.6	168.9	-63.8	-30.5	0	0	0	119	D231	D229-D231 PolarHBondContact O-N 2.8Å
230	Q	53.5	Low	57.9	Low	188 Å²	188	101.1 Å²	101.1	88%	0.879	55%	0.545	S	S	*	.	S	Bend	trans	-67.3	91.9	165.3	-65.6	176	-39.3	0	0	110.9
231	D	53	Low	59	Low	148 Å²	148	101.4 Å²	101.4	79%	0.791	55%	0.548	S	S	*	.	S	Bend	trans	-163.7	106.6	148.7	-101.2	-28.8	0	0	0	112	D229	D229-D231 PolarHBondContact O-N 2.8Å
232	N	52.5	Low	60.5	Low	155 Å²	155	100.6 Å²	100.6	83%	0.829	54%	0.544	S	S	*	.			trans	78.5	88.4	-173.6	-52.4	-83.5	0	0	0	116.5	D234	N232-D234 PolarHBondContact O-N 3.06Å
233	L	58.1	Low	62	Low	95 Å²	95	104.2 Å²	104.2	50%	0.497	56%	0.562	S	S	.	*			trans	-71.1	117.5	151.6	-74	84	0	0	0	108.8	W225 V238	W225-L233 HydrophobicContact CH2-CB 4.38Å; W225-L233 HydrophobicContact CH2-CD2 4.46Å; W225-L233 HydrophobicContact CH2-CG 3.95Å; W225-L233 HydrophobicContact CZ3-CD2 3.9Å; W225-L233 HydrophobicContact CZ3-CG 3.82Å; L233-V238 HydrophobicContact CB-CG2 4.01Å
234	D	65.6	Low	63.7	Low	100 Å²	100	102.1 Å²	102.1	54%	0.535	55%	0.553	S	S	.	*			trans	-57.8	145.7	171.8	-178.6	26.5	0	0	0	111.4	N232 A236 N237 V238	N232-D234 PolarHBondContact O-N 3.06Å; D234-A236 PolarHBondContact O-N 3.19Å; D234-A236 VanDerWaalsContact O-N 3.16Å; D234-N237 WeakPolarHBondContact O-CB 3.41Å; D234-N237 PolarHBondContact O-N 3.37Å; D234-V238 PolarHBondContact O-N 2.93Å
235	L	67.9	Low	65.4	Low	119 Å²	119	101 Å²	101	62%	0.623	55%	0.547	S	S	*	.	H	α-helix	trans	-58.7	-31	-176.6	-176.1	61.7	0	0	0	111.8	N237 V238 N239	L235-N237 VanDerWaalsContact C-N 3.34Å; L235-N237 PolarHBondContact O-N 2.92Å; L235-V238 PolarHBondContact O-N 3.09Å; L235-N239 WeakPolarHBondContact O-CB 3.27Å; L235-N239 VanDerWaalsContact O-CG 3.23Å; L235-N239 PolarHBondContact O-N 2.86Å; L235-N239 PolarHBondContact O-ND2 3.32Å; L235-N239 VanDerWaalsContact O-ND2 3.14Å
236	A	64.4	Low	67.4	Low	55 Å²	55	100 Å²	100	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-60.5	-39.9	172.5	0	0	0	0	0	112.8	D234 N239 L240	D234-A236 PolarHBondContact O-N 3.19Å; D234-A236 VanDerWaalsContact O-N 3.16Å; A236-N239 PolarHBondContact O-N 3.18Å; A236-L240 PolarHBondContact O-N 3.41Å
237	N	67.8	Low	69.1	Low	53 Å²	53	99 Å²	99	28%	0.283	54%	0.543	S	S	.	.	H	α-helix	trans	-75.7	-36.5	-178.6	-63.2	-21.3	0	0	0	111.4	W225 D234 L235 N239 L240 M241	W225-N237 HydrophobicContact CH2-CB 4.11Å; W225-N237 VanDerWaalsContact CH2-ND2 3.27Å; W225-N237 WeakPolarHBondContact CH2-ND2 3.37Å; W225-N237 WeakPolarHBondContact CZ2-ND2 3.45Å; W225-N237 HydrophobicContact CZ3-CB 4.36Å; D234-N237 WeakPolarHBondContact O-CB 3.41Å; D234-N237 PolarHBondContact O-N 3.37Å; L235-N237 VanDerWaalsContact C-N 3.34Å; L235-N237 PolarHBondContact O-N 2.92Å; N237-N239 VanDerWaalsContact C-N 3.34Å; N237-L240 PolarHBondContact O-N 2.87Å; N237-M241 WeakPolarHBondContact O-CB 3.43Å; N237-M241 PolarHBondContact O-N 2.82Å
238	V	77.7	Confident	70.8	Confident	59 Å²	59	100.5 Å²	100.5	36%	0.358	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-43	170.7	-178.9	0	0	0	0	110.8	L233 D234 L235 M241 L242	L233-V238 HydrophobicContact CB-CG2 4.01Å; D234-V238 PolarHBondContact O-N 2.93Å; L235-V238 PolarHBondContact O-N 3.09Å; V238-M241 PolarHBondContact O-N 3.42Å; V238-L242 WeakPolarHBondContact O-CB 3.48Å; V238-L242 PolarHBondContact O-N 2.83Å
239	N	75.2	Confident	72.8	Confident	84 Å²	84	101.5 Å²	101.5	45%	0.449	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-40.5	176.7	-73.7	-29.7	0	0	0	112.8	L235 A236 N237 L242 E243	L235-N239 WeakPolarHBondContact O-CB 3.27Å; L235-N239 VanDerWaalsContact O-CG 3.23Å; L235-N239 PolarHBondContact O-N 2.86Å; L235-N239 PolarHBondContact O-ND2 3.32Å; L235-N239 VanDerWaalsContact O-ND2 3.14Å; A236-N239 PolarHBondContact O-N 3.18Å; N237-N239 VanDerWaalsContact C-N 3.34Å; N239-L242 PolarHBondContact O-N 3.37Å; N239-E243 PolarHBondContact O-N 2.86Å
240	L	75.8	Confident	75	Confident	57 Å²	57	100.9 Å²	100.9	30%	0.298	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-40	175.7	-179.7	64	0	0	0	112.1	F222 A236 N237 E243 L244	F222-L240 HydrophobicContact CE2-CD2 4.37Å; A236-L240 PolarHBondContact O-N 3.41Å; N237-L240 PolarHBondContact O-N 2.87Å; L240-E243 PolarHBondContact O-N 3.34Å; L240-L244 PolarHBondContact O-N 2.96Å
241	M	75.8	Confident	76.4	Confident	73 Å²	73	96.7 Å²	96.7	36%	0.36	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-42.5	173.7	-178	169.4	55.9	0	0	111.4	F222 N237 V238 L244 L245	F222-M241 HydrophobicContact CE1-CB 4.19Å; F222-M241 HydrophobicContact CE1-CG 4.29Å; F222-M241 HydrophobicContact CE1-SD 4.35Å; F222-M241 HydrophobicContact CZ-CB 3.98Å; F222-M241 HydrophobicContact CZ-CG 4.47Å; N237-M241 WeakPolarHBondContact O-CB 3.43Å; N237-M241 PolarHBondContact O-N 2.82Å; V238-M241 PolarHBondContact O-N 3.42Å; M241-L244 PolarHBondContact O-N 3.5Å; M241-L245 HydrophobicContact CG-CD1 4.05Å; M241-L245 WeakPolarHBondContact O-CB 3.29Å; M241-L245 VanDerWaalsContact O-CG 3.28Å; M241-L245 WeakPolarHBondContact O-CG 3.14Å; M241-L245 PolarHBondContact O-N 3.4Å
242	L	82.8	Confident	78.1	Confident	97 Å²	97	94 Å²	94	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.3	-179.3	62.3	0	0	0	111.9	V238 N239 L244 L245 V246	V238-L242 WeakPolarHBondContact O-CB 3.48Å; V238-L242 PolarHBondContact O-N 2.83Å; N239-L242 PolarHBondContact O-N 3.37Å; L242-L244 PolarHBondContact O-N 3.05Å; L242-L245 PolarHBondContact O-N 3.45Å; L242-V246 HydrophobicContact CD1-CG2 4.13Å; L242-V246 HydrophobicContact CG-CG2 4.43Å; L242-V246 WeakPolarHBondContact O-CB 3.39Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.49Å; L242-V246 PolarHBondContact O-N 2.87Å
243	E	83.7	Confident	80	Confident	115 Å²	115	90.7 Å²	90.7	54%	0.537	46%	0.462	S	S	.	.	H	α-helix	trans	-60	-45.8	176.1	-173.8	-178.7	-141.6	0	0	111.4	N239 L240 V246 Q247	N239-E243 PolarHBondContact O-N 2.86Å; L240-E243 PolarHBondContact O-N 3.34Å; E243-V246 PolarHBondContact O-N 2.93Å; E243-Q247 VanDerWaalsContact O-CB 3.31Å; E243-Q247 WeakPolarHBondContact O-CB 3.33Å; E243-Q247 PolarHBondContact O-N 3.42Å
244	L	86.8	Confident	81.4	Confident	46 Å²	46	88.8 Å²	88.8	24%	0.241	46%	0.46	C	S	.	.	H	α-helix	trans	-62.8	-43.5	177.3	-171.4	155.4	0	0	0	111.8	L240 M241 L242 Q247 K248	L240-L244 PolarHBondContact O-N 2.96Å; M241-L244 PolarHBondContact O-N 3.5Å; L242-L244 PolarHBondContact O-N 3.05Å; L244-Q247 PolarHBondContact O-N 2.99Å; L244-K248 WeakPolarHBondContact O-CB 3.41Å; L244-K248 PolarHBondContact O-N 3.14Å
245	L	85.8	Confident	82.4	Confident	105 Å²	105	88.6 Å²	88.6	55%	0.55	46%	0.456	S	S	.	.	H	α-helix	trans	-65.6	-41.1	177	-71.8	170.7	0	0	0	112.1	M241 L242 K248 K249	M241-L245 HydrophobicContact CG-CD1 4.05Å; M241-L245 WeakPolarHBondContact O-CB 3.29Å; M241-L245 VanDerWaalsContact O-CG 3.28Å; M241-L245 WeakPolarHBondContact O-CG 3.14Å; M241-L245 PolarHBondContact O-N 3.4Å; L242-L245 PolarHBondContact O-N 3.45Å; L245-K248 PolarHBondContact O-N 3.17Å; L245-K249 VanDerWaalsContact O-CB 3.27Å; L245-K249 WeakPolarHBondContact O-CB 3.48Å; L245-K249 PolarHBondContact O-N 3.11Å
246	V	90.9	Very high	83.5	Confident	85 Å²	85	87.7 Å²	87.7	52%	0.515	45%	0.451	S	S	.	.	H	α-helix	trans	-66.8	-41.3	175.1	169.4	0	0	0	0	111.1	L242 E243 K249 K250	L242-V246 HydrophobicContact CD1-CG2 4.13Å; L242-V246 HydrophobicContact CG-CG2 4.43Å; L242-V246 WeakPolarHBondContact O-CB 3.39Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.49Å; L242-V246 PolarHBondContact O-N 2.87Å; E243-V246 PolarHBondContact O-N 2.93Å; V246-K249 PolarHBondContact O-N 3.3Å; V246-K250 WeakPolarHBondContact O-CB 3.31Å; V246-K250 PolarHBondContact O-N 3.43Å
247	Q	87.8	Confident	84.6	Confident	114 Å²	114	91.5 Å²	91.5	53%	0.533	46%	0.459	S	S	.	.	H	α-helix	trans	-62.8	-42.8	174.7	-172	-179.3	14.2	0	0	111.2	E243 L244 K250 Q251	E243-Q247 VanDerWaalsContact O-CB 3.31Å; E243-Q247 WeakPolarHBondContact O-CB 3.33Å; E243-Q247 PolarHBondContact O-N 3.42Å; L244-Q247 PolarHBondContact O-N 2.99Å; Q247-K250 PolarHBondContact O-N 3.05Å; Q247-Q251 PolarHBondContact O-N 3.16Å
248	K	86	Confident	85.4	Confident	98 Å²	98	92.8 Å²	92.8	43%	0.426	46%	0.464	S	S	.	.	H	α-helix	trans	-69.7	-39.5	178.1	-174.4	62.1	-170.5	174.9	0	112.2	L244 L245 Q251 L252	L244-K248 WeakPolarHBondContact O-CB 3.41Å; L244-K248 PolarHBondContact O-N 3.14Å; L245-K248 PolarHBondContact O-N 3.17Å; K248-Q251 WeakPolarHBondContact O-CB 3.37Å; K248-Q251 PolarHBondContact O-N 3.25Å; K248-L252 HydrophobicContact CG-CD1 4.41Å; K248-L252 WeakPolarHBondContact O-CG 3.42Å; K248-L252 PolarHBondContact O-N 3.02Å
249	K	92.5	Very high	85.8	Confident	120 Å²	120	94.2 Å²	94.2	52%	0.522	47%	0.469	S	S	.	.	H	α-helix	trans	-56.8	-51.9	171	-179	-172.2	157.6	-179.7	0	110.4	L245 V246 Q251 L252 E253	L245-K249 VanDerWaalsContact O-CB 3.27Å; L245-K249 WeakPolarHBondContact O-CB 3.48Å; L245-K249 PolarHBondContact O-N 3.11Å; V246-K249 PolarHBondContact O-N 3.3Å; K249-Q251 VanDerWaalsContact C-N 3.27Å; K249-Q251 PolarHBondContact O-N 2.78Å; K249-L252 CarbonylContact O-C 3.58Å; K249-L252 WeakPolarHBondContact O-CA 3.45Å; K249-L252 WeakPolarHBondContact O-CB 3.28Å; K249-L252 PolarHBondContact O-N 3.19Å; K249-E253 WeakPolarHBondContact CE-OE1 3.41Å; K249-E253 VanDerWaalsContact CE-OE2 3.25Å; K249-E253 WeakPolarHBondContact CE-OE2 3.31Å; K249-E253 HydrophobicContact CG-CG 4.41Å; K249-E253 IonicContact NZ-OE1 3.77Å; K249-E253 PolarHBondContact NZ-OE1 3.37Å; K249-E253 PolarHBondContact O-N 3.06Å
250	K	90.9	Very high	86.4	Confident	152 Å²	152	95.5 Å²	95.5	66%	0.661	47%	0.472	S	S	*	.	H	α-helix	trans	-61.9	-33	179.6	-171	173.2	-177.1	176.5	0	113	V246 Q247 A254	V246-K250 WeakPolarHBondContact O-CB 3.31Å; V246-K250 PolarHBondContact O-N 3.43Å; Q247-K250 PolarHBondContact O-N 3.05Å; K250-A254 WeakPolarHBondContact O-CB 3.21Å; K250-A254 PolarHBondContact O-N 3.41Å; K250-A254 VanDerWaalsContact O-N 3.08Å
251	Q	83.8	Confident	86.7	Confident	100 Å²	100	97.4 Å²	97.4	47%	0.467	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-44.5	171.2	-172.1	-175.1	34.7	0	0	111.6	Q247 K248 K249 A254 Q255	Q247-Q251 PolarHBondContact O-N 3.16Å; K248-Q251 WeakPolarHBondContact O-CB 3.37Å; K248-Q251 PolarHBondContact O-N 3.25Å; K249-Q251 VanDerWaalsContact C-N 3.27Å; K249-Q251 PolarHBondContact O-N 2.78Å; Q251-A254 PolarHBondContact O-N 2.77Å; Q251-Q255 WeakPolarHBondContact O-CG 3.46Å; Q251-Q255 PolarHBondContact O-N 3.08Å
252	L	88.9	Confident	87.2	Confident	93 Å²	93	96.2 Å²	96.2	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-69.1	-36.7	179	-68.4	166.8	0	0	0	112.2	K248 K249 Q255 L256	K248-L252 HydrophobicContact CG-CD1 4.41Å; K248-L252 WeakPolarHBondContact O-CG 3.42Å; K248-L252 PolarHBondContact O-N 3.02Å; K249-L252 CarbonylContact O-C 3.58Å; K249-L252 WeakPolarHBondContact O-CA 3.45Å; K249-L252 WeakPolarHBondContact O-CB 3.28Å; K249-L252 PolarHBondContact O-N 3.19Å; L252-Q255 PolarHBondContact O-N 2.78Å; L252-L256 PolarHBondContact O-N 3.16Å
253	E	91.4	Very high	87.3	Confident	85 Å²	85	95.8 Å²	95.8	40%	0.397	47%	0.469	S	S	.	.	H	α-helix	trans	-62.9	-46.1	173.5	-72.4	172	138.1	0	0	111.2	K249 Q255 L256 E257	K249-E253 WeakPolarHBondContact CE-OE1 3.41Å; K249-E253 VanDerWaalsContact CE-OE2 3.25Å; K249-E253 WeakPolarHBondContact CE-OE2 3.31Å; K249-E253 HydrophobicContact CG-CG 4.41Å; K249-E253 IonicContact NZ-OE1 3.77Å; K249-E253 PolarHBondContact NZ-OE1 3.37Å; K249-E253 PolarHBondContact O-N 3.06Å; E253-Q255 VanDerWaalsContact C-N 3.29Å; E253-Q255 PolarHBondContact O-N 3.05Å; E253-L256 WeakPolarHBondContact O-CB 3.49Å; E253-L256 PolarHBondContact O-N 2.74Å; E253-L256 VanDerWaalsContact O-N 3.12Å; E253-E257 PolarHBondContact O-N 3.46Å
254	A	87.7	Confident	87.4	Confident	55 Å²	55	92.9 Å²	92.9	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-30.7	174.8	0	0	0	0	0	113.2	K250 Q251 Q258	K250-A254 WeakPolarHBondContact O-CB 3.21Å; K250-A254 PolarHBondContact O-N 3.41Å; K250-A254 VanDerWaalsContact O-N 3.08Å; Q251-A254 PolarHBondContact O-N 2.77Å; A254-Q258 WeakPolarHBondContact O-CB 2.93Å; A254-Q258 PolarHBondContact O-N 3.04Å
255	Q	86.8	Confident	87.2	Confident	95 Å²	95	91.9 Å²	91.9	44%	0.444	46%	0.457	S	S	.	.	H	α-helix	trans	-71	-37.1	171.6	-73.6	179.1	-57.4	0	0	111.8	Q251 L252 E253 Q258 I259	Q251-Q255 WeakPolarHBondContact O-CG 3.46Å; Q251-Q255 PolarHBondContact O-N 3.08Å; L252-Q255 PolarHBondContact O-N 2.78Å; E253-Q255 VanDerWaalsContact C-N 3.29Å; E253-Q255 PolarHBondContact O-N 3.05Å; Q255-Q258 PolarHBondContact O-N 3.08Å; Q255-I259 WeakPolarHBondContact O-CB 3.47Å; Q255-I259 WeakPolarHBondContact O-CD1 3.44Å; Q255-I259 VanDerWaalsContact O-CG1 3.26Å; Q255-I259 WeakPolarHBondContact O-CG1 3.49Å; Q255-I259 PolarHBondContact O-N 2.7Å
256	L	90.8	Very high	87.2	Confident	101 Å²	101	89.6 Å²	89.6	53%	0.529	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-47.6	174.9	-171.6	77.9	0	0	0	111.4	L252 E253 Q258 I259 Q260	L252-L256 PolarHBondContact O-N 3.16Å; E253-L256 WeakPolarHBondContact O-CB 3.49Å; E253-L256 PolarHBondContact O-N 2.74Å; E253-L256 VanDerWaalsContact O-N 3.12Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 3.17Å; L256-I259 PolarHBondContact O-N 2.94Å; L256-Q260 HydrophobicContact CG-CG 4.5Å; L256-Q260 WeakPolarHBondContact O-CB 3.48Å; L256-Q260 VanDerWaalsContact O-CG 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.47Å; L256-Q260 PolarHBondContact O-N 2.95Å
257	E	88.4	Confident	87	Confident	134 Å²	134	91.9 Å²	91.9	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-58.6	-41.5	177	-71.6	175.8	177.1	0	0	112	E253 K261	E253-E257 PolarHBondContact O-N 3.46Å; E257-K261 PolarHBondContact O-N 3.34Å; E257-K261 VanDerWaalsContact O-N 3.15Å
258	Q	84.6	Confident	86.8	Confident	81 Å²	81	90.8 Å²	90.8	38%	0.379	45%	0.445	S	S	.	.	H	α-helix	trans	-65.2	-47	176.5	-178.5	60.2	28.5	0	0	111.9	A254 Q255 L256 Q260 K261 E262	A254-Q258 WeakPolarHBondContact O-CB 2.93Å; A254-Q258 PolarHBondContact O-N 3.04Å; Q255-Q258 PolarHBondContact O-N 3.08Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 3.17Å; Q258-Q260 PolarHBondContact O-N 2.93Å; Q258-K261 WeakPolarHBondContact O-CB 3.31Å; Q258-K261 PolarHBondContact O-N 2.9Å; Q258-E262 PolarHBondContact NE2-OE1 3.29Å; Q258-E262 PolarHBondContact O-N 3.13Å
259	I	85.2	Confident	86.7	Confident	89 Å²	89	86.5 Å²	86.5	46%	0.456	43%	0.427	S	S	.	.	H	α-helix	trans	-65.4	-39.5	179.1	-68.8	165.2	0	0	0	111.1	Q255 L256 K261 E262 L263	Q255-I259 WeakPolarHBondContact O-CB 3.47Å; Q255-I259 WeakPolarHBondContact O-CD1 3.44Å; Q255-I259 VanDerWaalsContact O-CG1 3.26Å; Q255-I259 WeakPolarHBondContact O-CG1 3.49Å; Q255-I259 PolarHBondContact O-N 2.7Å; L256-I259 PolarHBondContact O-N 2.94Å; I259-K261 VanDerWaalsContact C-N 3.26Å; I259-K261 PolarHBondContact O-N 2.76Å; I259-E262 PolarHBondContact O-N 3.06Å; I259-L263 HydrophobicContact CG2-CD1 4.02Å; I259-L263 HydrophobicContact CG2-CG 4.37Å; I259-L263 WeakPolarHBondContact O-CB 3.29Å; I259-L263 WeakPolarHBondContact O-CG 3.46Å; I259-L263 PolarHBondContact O-N 3.44Å
260	Q	87.4	Confident	86.4	Confident	110 Å²	110	85.2 Å²	85.2	51%	0.514	42%	0.424	S	S	.	.	H	α-helix	trans	-59.7	-38.1	174.4	-76.8	173.9	-15	0	0	111.9	L256 Q258 S264	L256-Q260 HydrophobicContact CG-CG 4.5Å; L256-Q260 WeakPolarHBondContact O-CB 3.48Å; L256-Q260 VanDerWaalsContact O-CG 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.47Å; L256-Q260 PolarHBondContact O-N 2.95Å; Q258-Q260 PolarHBondContact O-N 2.93Å; Q260-S264 PolarHBondContact O-N 3.08Å
261	K	83.6	Confident	86.1	Confident	98 Å²	98	83.8 Å²	83.8	43%	0.426	42%	0.418	S	S	.	.	H	α-helix	trans	-72.3	-35.6	176.4	-167.5	178.7	-173.9	-177	0	113	E257 Q258 I259 S264 V265	E257-K261 PolarHBondContact O-N 3.34Å; E257-K261 VanDerWaalsContact O-N 3.15Å; Q258-K261 WeakPolarHBondContact O-CB 3.31Å; Q258-K261 PolarHBondContact O-N 2.9Å; I259-K261 VanDerWaalsContact C-N 3.26Å; I259-K261 PolarHBondContact O-N 2.76Å; K261-S264 PolarHBondContact O-OG 3.24Å; K261-V265 WeakPolarHBondContact O-CB 3.42Å; K261-V265 WeakPolarHBondContact O-CG2 3.13Å; K261-V265 PolarHBondContact O-N 3Å
262	E	85.1	Confident	86	Confident	47 Å²	47	81.7 Å²	81.7	22%	0.22	41%	0.406	C	S	.	.	H	α-helix	trans	-68.2	-38.7	173.6	-74.4	165.4	-176.4	0	0	111.4	Q258 I259 L266 F349 M353	Q258-E262 PolarHBondContact NE2-OE1 3.29Å; Q258-E262 PolarHBondContact O-N 3.13Å; I259-E262 PolarHBondContact O-N 3.06Å; E262-L266 WeakPolarHBondContact O-CG 2.99Å; E262-L266 PolarHBondContact O-N 3.21Å; E262-L266 VanDerWaalsContact O-N 3.08Å; E262-F349 HydrophobicContact CB-CE1 3.89Å; E262-F349 HydrophobicContact CB-CZ 4.26Å; E262-F349 HydrophobicContact CG-CD1 4.28Å; E262-F349 HydrophobicContact CG-CE1 3.95Å; E262-F349 HydrophobicContact CG-CZ 4.48Å; E262-M353 HydrophobicContact CG-CE 4.22Å; E262-M353 HydrophobicContact CG-SD 4.28Å; E262-M353 WeakPolarHBondContact OE1-CE 3.5Å
263	L	86	Confident	85.6	Confident	89 Å²	89	80.9 Å²	80.9	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-48.7	174.3	-74.4	170.5	0	0	0	112.5	I259 V265 L266 E267	I259-L263 HydrophobicContact CG2-CD1 4.02Å; I259-L263 HydrophobicContact CG2-CG 4.37Å; I259-L263 WeakPolarHBondContact O-CB 3.29Å; I259-L263 WeakPolarHBondContact O-CG 3.46Å; I259-L263 PolarHBondContact O-N 3.44Å; L263-V265 VanDerWaalsContact C-N 3.28Å; L263-V265 PolarHBondContact O-N 3.12Å; L263-L266 CarbonylContact O-C 3.59Å; L263-L266 WeakPolarHBondContact O-CA 3.14Å; L263-L266 WeakPolarHBondContact O-CB 3.28Å; L263-L266 PolarHBondContact O-N 3.24Å; L263-E267 WeakPolarHBondContact O-CG 3.11Å; L263-E267 PolarHBondContact O-N 3.05Å
264	S	84.6	Confident	85.2	Confident	54 Å²	54	82 Å²	82	38%	0.378	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-35.4	179.4	65.5	0	0	0	0	112.6	Q260 K261 L266 E267 E268	Q260-S264 PolarHBondContact O-N 3.08Å; K261-S264 PolarHBondContact O-OG 3.24Å; S264-L266 VanDerWaalsContact C-N 3.31Å; S264-L266 PolarHBondContact O-N 2.93Å; S264-E267 PolarHBondContact O-N 3.28Å; S264-E268 PolarHBondContact O-N 3.09Å; S264-E268 VanDerWaalsContact O-N 3.12Å
265	V	84	Confident	85	Confident	24 Å²	24	85 Å²	85	15%	0.145	42%	0.415	C	S	.	.	H	α-helix	trans	-65.3	-32.4	173.6	168.6	0	0	0	0	112.1	K261 L263 Y348 R352	K261-V265 WeakPolarHBondContact O-CB 3.42Å; K261-V265 WeakPolarHBondContact O-CG2 3.13Å; K261-V265 PolarHBondContact O-N 3Å; L263-V265 VanDerWaalsContact C-N 3.28Å; L263-V265 PolarHBondContact O-N 3.12Å; V265-Y348 PolarHBondContact O-OH 2.99Å; V265-R352 HydrophobicContact CG1-CB 4.29Å; V265-R352 HydrophobicContact CG1-CG 4.48Å; V265-R352 PolarHBondContact O-NH2 3.43Å
266	L	85.2	Confident	84.3	Confident	57 Å²	57	86.2 Å²	86.2	30%	0.298	42%	0.422	S	S	.	.	H	α-helix	trans	-75.8	-42.6	172.9	-77.4	165.4	0	0	0	112.4	E262 L263 S264 E268 D269 I270 Y348 F349	E262-L266 WeakPolarHBondContact O-CG 2.99Å; E262-L266 PolarHBondContact O-N 3.21Å; E262-L266 VanDerWaalsContact O-N 3.08Å; L263-L266 CarbonylContact O-C 3.59Å; L263-L266 WeakPolarHBondContact O-CA 3.14Å; L263-L266 WeakPolarHBondContact O-CB 3.28Å; L263-L266 PolarHBondContact O-N 3.24Å; S264-L266 VanDerWaalsContact C-N 3.31Å; S264-L266 PolarHBondContact O-N 2.93Å; L266-E268 PolarHBondContact O-N 3.32Å; L266-D269 PolarHBondContact O-N 2.98Å; L266-D269 VanDerWaalsContact O-N 3.11Å; L266-I270 WeakPolarHBondContact O-CB 3.4Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.31Å; L266-I270 PolarHBondContact O-N 2.72Å; L266-Y348 HydrophobicContact CD2-CE1 3.57Å; L266-Y348 HydrophobicContact CG-CE1 4.23Å; L266-F349 HydrophobicContact CD1-CE1 4.36Å; L266-F349 HydrophobicContact CD1-CZ 4.03Å; L266-F349 HydrophobicContact CG-CE1 4.41Å; L266-F349 HydrophobicContact CG-CZ 4.49Å
267	E	85.8	Confident	83.3	Confident	134 Å²	134	84.4 Å²	84.4	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-60	-43.2	178.8	-73.8	174	172.7	0	0	111.7	L263 S264 D269 K271	L263-E267 WeakPolarHBondContact O-CG 3.11Å; L263-E267 PolarHBondContact O-N 3.05Å; S264-E267 PolarHBondContact O-N 3.28Å; E267-D269 VanDerWaalsContact C-N 3.33Å; E267-D269 PolarHBondContact O-N 3.27Å; E267-K271 WeakPolarHBondContact O-CB 3.43Å; E267-K271 PolarHBondContact O-N 2.85Å
268	E	84.2	Confident	81.8	Confident	91 Å²	91	81 Å²	81	43%	0.425	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-40.3	172.9	-71.3	-173.4	-173.9	0	0	112.9	S264 L266 R272	S264-E268 PolarHBondContact O-N 3.09Å; S264-E268 VanDerWaalsContact O-N 3.12Å; L266-E268 PolarHBondContact O-N 3.32Å; E268-R272 VanDerWaalsContact O-CG 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.24Å; E268-R272 PolarHBondContact O-N 2.92Å; E268-R272 IonicContact OE2-CZ 3.19Å; E268-R272 IonicContact OE2-NH1 2.82Å; E268-R272 PolarHBondContact OE2-NH1 3.04Å; E268-R272 IonicContact OE2-NH2 2.69Å; E268-R272 PolarHBondContact OE2-NH2 2.66Å
269	D	84.1	Confident	80.2	Confident	7 Å²	7	84.4 Å²	84.4	4%	0.037	44%	0.439	C	S	.	.	H	α-helix	trans	-80.3	-35.2	-174.4	-89	14.6	0	0	0	113	L266 E267 K271 R272 V273 Y348 R352 L366	L266-D269 PolarHBondContact O-N 2.98Å; L266-D269 VanDerWaalsContact O-N 3.11Å; E267-D269 VanDerWaalsContact C-N 3.33Å; E267-D269 PolarHBondContact O-N 3.27Å; D269-K271 VanDerWaalsContact C-N 3.29Å; D269-K271 PolarHBondContact O-N 3.42Å; D269-R272 PolarHBondContact O-N 3.22Å; D269-R272 IonicContact OD1-CZ 3.79Å; D269-R272 IonicContact OD1-NH1 2.76Å; D269-R272 PolarHBondContact OD1-NH1 3.37Å; D269-V273 WeakPolarHBondContact O-CB 3.4Å; D269-V273 VanDerWaalsContact O-CG2 3.29Å; D269-V273 WeakPolarHBondContact O-CG2 3.46Å; D269-V273 PolarHBondContact O-N 3.49Å; D269-Y348 PolarHBondContact OD2-OH 3.15Å; D269-R352 IonicContact OD1-CZ 3.37Å; D269-R352 IonicContact OD1-NH1 2.62Å; D269-R352 PolarHBondContact OD1-NH1 3.16Å; D269-R352 IonicContact OD1-NH2 2.73Å; D269-R352 PolarHBondContact OD1-NH2 2.92Å; D269-R352 IonicContact OD2-CZ 3.11Å; D269-R352 IonicContact OD2-NE 2.88Å; D269-R352 PolarHBondContact OD2-NE 3.26Å; D269-R352 IonicContact OD2-NH1 2.82Å; D269-R352 PolarHBondContact OD2-NH1 3.09Å; D269-R352 IonicContact OD2-NH2 3.1Å; D269-R352 PolarHBondContact OD2-NH2 3.21Å; D269-R352 VanDerWaalsContact OD2-NH2 3.1Å; D269-L366 HydrophobicContact CB-CD1 4.33Å; D269-L366 HydrophobicContact CB-CD2 4.2Å; D269-L366 WeakPolarHBondContact OD2-CD2 3.49Å; D269-L366 WeakPolarHBondContact OD2-CG 3.2Å
270	I	85.1	Confident	78.2	Confident	93 Å²	93	89.6 Å²	89.6	48%	0.477	45%	0.454	S	S	.	.	H	α-helix	trans	-56	-49.9	168.3	-70.9	164.3	0	0	0	108.5	L266 R272 V273 E274	L266-I270 WeakPolarHBondContact O-CB 3.4Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.31Å; L266-I270 PolarHBondContact O-N 2.72Å; I270-R272 PolarHBondContact O-N 3.49Å; I270-V273 PolarHBondContact O-N 3.28Å; I270-E274 HydrophobicContact CG2-CG 4.35Å; I270-E274 WeakPolarHBondContact O-CB 3.43Å; I270-E274 VanDerWaalsContact O-CG 3.31Å; I270-E274 WeakPolarHBondContact O-CG 3.27Å; I270-E274 PolarHBondContact O-N 3.25Å
271	K	85.4	Confident	75.6	Confident	122 Å²	122	89.1 Å²	89.1	53%	0.53	46%	0.463	S	S	.	.	H	α-helix	trans	-59.6	-44.4	177.4	-170.2	175.4	-175.3	-83.5	0	112.9	E267 D269 V273 E274 E275	E267-K271 WeakPolarHBondContact O-CB 3.43Å; E267-K271 PolarHBondContact O-N 2.85Å; D269-K271 VanDerWaalsContact C-N 3.29Å; D269-K271 PolarHBondContact O-N 3.42Å; K271-V273 VanDerWaalsContact C-N 3.35Å; K271-V273 PolarHBondContact O-N 3.03Å; K271-E274 PolarHBondContact O-N 2.97Å; K271-E275 IonicContact NZ-OE1 2.66Å; K271-E275 PolarHBondContact NZ-OE1 2.78Å; K271-E275 WeakPolarHBondContact O-CB 3.45Å; K271-E275 VanDerWaalsContact O-CG 3.27Å; K271-E275 WeakPolarHBondContact O-CG 3.23Å; K271-E275 PolarHBondContact O-N 3.3Å
272	R	81.4	Confident	73.6	Confident	56 Å²	56	89.3 Å²	89.3	21%	0.211	47%	0.474	C	S	.	.	H	α-helix	trans	-61.8	-39.8	175.5	-73.2	168.3	-175.5	126.2	9.6	112.4	E268 D269 I270 M276 L366	E268-R272 VanDerWaalsContact O-CG 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.24Å; E268-R272 PolarHBondContact O-N 2.92Å; E268-R272 IonicContact OE2-CZ 3.19Å; E268-R272 IonicContact OE2-NH1 2.82Å; E268-R272 PolarHBondContact OE2-NH1 3.04Å; E268-R272 IonicContact OE2-NH2 2.69Å; E268-R272 PolarHBondContact OE2-NH2 2.66Å; D269-R272 PolarHBondContact O-N 3.22Å; D269-R272 IonicContact OD1-CZ 3.79Å; D269-R272 IonicContact OD1-NH1 2.76Å; D269-R272 PolarHBondContact OD1-NH1 3.37Å; I270-R272 PolarHBondContact O-N 3.49Å; R272-M276 WeakPolarHBondContact O-CB 3.36Å; R272-M276 WeakPolarHBondContact O-CG 3.34Å; R272-M276 PolarHBondContact O-N 2.84Å; R272-L366 HydrophobicContact CB-CD1 3.83Å; R272-L366 HydrophobicContact CG-CD1 4.44Å
273	V	81.9	Confident	71.1	Confident	77 Å²	77	93.5 Å²	93.5	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-72.3	-36.9	178.2	171.3	0	0	0	0	111.3	D269 I270 K271 M276 S277 L366	D269-V273 WeakPolarHBondContact O-CB 3.4Å; D269-V273 VanDerWaalsContact O-CG2 3.29Å; D269-V273 WeakPolarHBondContact O-CG2 3.46Å; D269-V273 PolarHBondContact O-N 3.49Å; I270-V273 PolarHBondContact O-N 3.28Å; K271-V273 VanDerWaalsContact C-N 3.35Å; K271-V273 PolarHBondContact O-N 3.03Å; V273-M276 HydrophobicContact CG2-CE 4.23Å; V273-M276 PolarHBondContact O-N 3.42Å; V273-S277 VanDerWaalsContact O-CB 3.3Å; V273-S277 WeakPolarHBondContact O-CB 3.27Å; V273-S277 PolarHBondContact O-N 3.09Å; V273-L366 HydrophobicContact CG2-CD2 4.47Å
274	E	82.8	Confident	68.6	Low	107 Å²	107	94.2 Å²	94.2	50%	0.5	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-46.8	172	-73.7	173.8	161.3	0	0	111.3	I270 K271 M276 S277 G278	I270-E274 HydrophobicContact CG2-CG 4.35Å; I270-E274 WeakPolarHBondContact O-CB 3.43Å; I270-E274 VanDerWaalsContact O-CG 3.31Å; I270-E274 WeakPolarHBondContact O-CG 3.27Å; I270-E274 PolarHBondContact O-N 3.25Å; K271-E274 PolarHBondContact O-N 2.97Å; E274-M276 PolarHBondContact O-N 3.26Å; E274-S277 PolarHBondContact O-N 3.2Å; E274-S277 VanDerWaalsContact O-N 3.1Å; E274-S277 PolarHBondContact O-OG 3.36Å; E274-G278 PolarHBondContact O-N 3.49Å
275	E	81.8	Confident	66.4	Low	120 Å²	120	101.3 Å²	101.3	56%	0.561	54%	0.542	S	S	*	.	H	α-helix	trans	-57.3	-44.9	173.4	-75.1	169.7	-178.5	0	0	111.8	K271 S277	K271-E275 IonicContact NZ-OE1 2.66Å; K271-E275 PolarHBondContact NZ-OE1 2.78Å; K271-E275 WeakPolarHBondContact O-CB 3.45Å; K271-E275 VanDerWaalsContact O-CG 3.27Å; K271-E275 WeakPolarHBondContact O-CG 3.23Å; K271-E275 PolarHBondContact O-N 3.3Å; E275-S277 VanDerWaalsContact C-N 3.35Å; E275-S277 PolarHBondContact O-N 3.16Å
276	M	73.1	Confident	63.9	Low	120 Å²	120	106.7 Å²	106.7	59%	0.591	57%	0.57	S	S	*	*	H	α-helix	trans	-68.7	-28.2	174.4	-75	-168.2	-74.4	0	0	114	R272 V273 E274 G278 L366	R272-M276 WeakPolarHBondContact O-CB 3.36Å; R272-M276 WeakPolarHBondContact O-CG 3.34Å; R272-M276 PolarHBondContact O-N 2.84Å; V273-M276 HydrophobicContact CG2-CE 4.23Å; V273-M276 PolarHBondContact O-N 3.42Å; E274-M276 PolarHBondContact O-N 3.26Å; M276-G278 VanDerWaalsContact C-N 3.27Å; M276-G278 PolarHBondContact O-N 3.21Å; M276-L366 HydrophobicContact CE-CD1 4.48Å
277	S	69.2	Low	61.3	Low	63 Å²	63	109.5 Å²	109.5	44%	0.441	59%	0.594	S	S	.	*	H	α-helix	trans	-74	-17	-179.1	77.4	0	0	0	0	113.7	V273 E274 E275 L279	V273-S277 VanDerWaalsContact O-CB 3.3Å; V273-S277 WeakPolarHBondContact O-CB 3.27Å; V273-S277 PolarHBondContact O-N 3.09Å; E274-S277 PolarHBondContact O-N 3.2Å; E274-S277 VanDerWaalsContact O-N 3.1Å; E274-S277 PolarHBondContact O-OG 3.36Å; E275-S277 VanDerWaalsContact C-N 3.35Å; E275-S277 PolarHBondContact O-N 3.16Å; S277-L279 PolarHBondContact O-N 2.89Å; S277-L279 PolarHBondContact OG-N 2.93Å
278	G	57.6	Low	58.7	Low	63 Å²	63	109.4 Å²	109.4	65%	0.649	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.7	6.1	-177.9	0	0	0	0	0	115.1	E274 M276 Y280	E274-G278 PolarHBondContact O-N 3.49Å; M276-G278 VanDerWaalsContact C-N 3.27Å; M276-G278 PolarHBondContact O-N 3.21Å; G278-Y280 VanDerWaalsContact C-N 3.32Å; G278-Y280 PolarHBondContact O-N 3.33Å
279	L	51.2	Low	56.2	Low	151 Å²	151	111 Å²	111	79%	0.791	62%	0.619	S	S	*	*			trans	-82.8	-0	-175.2	-80.2	165.8	0	0	0	115	S277	S277-L279 PolarHBondContact O-N 2.89Å; S277-L279 PolarHBondContact OG-N 2.93Å
280	Y	42.5	Very low	53.6	Low	198 Å²	198	116.7 Å²	116.7	78%	0.776	66%	0.656	S	S	*	*			trans	-133.6	86.8	175.2	-137.5	-93	0	0	0	112.1	G278 P282	G278-Y280 VanDerWaalsContact C-N 3.32Å; G278-Y280 PolarHBondContact O-N 3.33Å; Y280-P282 WeakPolarHBondContact O-CD 3.47Å
281	S	33.5	Very low	50.9	Low	100 Å²	100	120.1 Å²	120.1	70%	0.699	67%	0.67	S	S	*	*			trans	-83.4	114.7	156.4	-174.5	0	0	0	0	107.5	V283	S281-V283 PolarHBondContact O-N 3.5Å
282	P	40.2	Very low	48.2	Very low	102 Å²	102	123.1 Å²	123.1	66%	0.662	68%	0.684	S	S	*	*			trans	-71.5	98.4	176.7	29.1	-33	0	0	0	108.9	Y280 S284	Y280-P282 WeakPolarHBondContact O-CD 3.47Å; P282-S284 PolarHBondContact O-N 2.8Å
283	V	33.5	Very low	45.5	Very low	135 Å²	135	128.2 Å²	128.2	82%	0.818	71%	0.71	S	S	*	*			trans	-66.8	103.4	171.1	-178.4	0	0	0	0	107.6	S281	S281-V283 PolarHBondContact O-N 3.5Å
284	S	34.4	Very low	42.9	Very low	104 Å²	104	128.9 Å²	128.9	73%	0.727	72%	0.723	S	S	*	*			trans	-66.8	132.8	176.8	46.2	0	0	0	0	111.1	P282 D286	P282-S284 PolarHBondContact O-N 2.8Å; S284-D286 VanDerWaalsContact C-N 3.32Å; S284-D286 PolarHBondContact O-N 3.44Å
285	E	38	Very low	40.3	Very low	204 Å²	204	129.9 Å²	129.9	95%	0.953	74%	0.739	S	S	*	*	S	Bend	trans	-68.6	83.1	169.2	-65.9	-175.7	121.1	0	0	111.2
286	D	31.7	Very low	37.6	Very low	137 Å²	137	129.6 Å²	129.6	73%	0.733	75%	0.75	S	S	*	*			trans	-164.2	123.3	137.9	-156.9	-5.1	0	0	0	111.9	S284	S284-D286 VanDerWaalsContact C-N 3.32Å; S284-D286 PolarHBondContact O-N 3.44Å
287	S	29.7	Very low	35.9	Very low	115 Å²	115	130.2 Å²	130.2	80%	0.804	76%	0.763	S	S	*	*			trans	174.6	124.4	147.4	-82.5	0	0	0	0	111.3
288	T	32.4	Very low	33.8	Very low	132 Å²	132	132.3 Å²	132.3	81%	0.81	78%	0.778	S	S	*	*			trans	-61.7	142.9	-176.1	-20	0	0	0	0	114.4	P290	T288-P290 WeakPolarHBondContact O-CD 3.35Å
289	V	30.5	Very low	32.2	Very low	125 Å²	125	138.2 Å²	138.2	76%	0.758	79%	0.788	S	S	*	*			trans	-69	138.2	170	174.3	0	0	0	0	111.3
290	P	30.7	Very low	31.2	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	79%	0.789	S	S	*	*			trans	-125.7	112.7	135.1	8.7	12.8	0	0	0	112.5	T288	T288-P290 WeakPolarHBondContact O-CD 3.35Å
291	Q	28	Very low	30.4	Very low	165 Å²	165	131.9 Å²	131.9	77%	0.771	79%	0.785	S	S	*	*			trans	-36.1	134.8	161.5	172.8	-176.4	8.4	0	0	115.5
292	F	27.6	Very low	30.2	Very low	186 Å²	186	134.5 Å²	134.5	82%	0.816	79%	0.79	S	S	*	*			trans	-154.9	171.7	133.9	-126.1	-86.1	0	0	0	111.9
293	E	25	Very low	29.7	Very low	163 Å²	163	136.4 Å²	136.4	76%	0.762	79%	0.793	S	S	*	*			trans	-85.6	162.7	-156.2	-60.2	171.4	112.7	0	0	116.3
294	A	28	Very low	29.3	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	79%	0.789	S	S	*	*			trans	-80.6	164.1	171.6	0	0	0	0	0	112.3
295	P	26.9	Very low	28.9	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	78%	0.78	S	S	*	*				-142.2	167.3	104.4	38.3	-25.8	0	0	0	116
296	S	25.3	Very low	28.4	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	78%	0.778	S	S	*	*			trans	-78.3	168.9	-179	-48	0	0	0	0	113.3
297	P	38.6	Very low	28.2	Very low	133 Å²	133	134 Å²	134	86%	0.864	78%	0.78	S	S	*	*			trans	-88.7	163	-160.6	35.9	-37.1	0	0	0	115.2
298	S	24.4	Very low	28	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	79%	0.785	S	S	*	*			trans	-144.4	127.3	166.6	55.7	0	0	0	0	114.4
299	H	25.1	Very low	27.9	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.866	77%	0.772	S	S	*	*			trans	47.3	133.6	148.7	-69.4	-84.2	0	0	0	124.1
300	S	29	Very low	27.8	Very low	114 Å²	114	140 Å²	140	80%	0.797	78%	0.778	S	S	*	*			trans	-86.6	159.5	170.7	51.2	0	0	0	0	114.2
301	S	26.2	Very low	28.1	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	78%	0.776	S	S	*	*			trans	-163.2	125.9	161	34.5	0	0	0	0	108.6
302	I	29.5	Very low	28.6	Very low	155 Å²	155	137.8 Å²	137.8	80%	0.795	78%	0.779	S	S	*	*				72.2	128.6	95	-68.7	165.6	0	0	0	111.5
303	I	30.1	Very low	28.7	Very low	142 Å²	142	132.2 Å²	132.2	73%	0.728	77%	0.774	S	S	*	*			cis	-154	144	6.8	-125.4	170.6	0	0	0	107.6
304	D	24.6	Very low	28.6	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	78%	0.782	S	S	*	*				58.7	146.6	95	-152.1	50.7	0	0	0	115.5
305	S	26	Very low	28.6	Very low	79 Å²	79	135.2 Å²	135.2	55%	0.552	78%	0.781	S	S	*	*			cis	-156.7	166.1	4.1	4.6	0	0	0	0	111.2
306	T	27.5	Very low	28.5	Very low	146 Å²	146	132.5 Å²	132.5	90%	0.896	78%	0.776	S	S	*	*				-177.8	138.5	121.7	21.1	0	0	0	0	112.6
307	E	26.5	Very low	28.6	Very low	168 Å²	168	133.3 Å²	133.3	79%	0.785	78%	0.782	S	S	*	*			trans	-107.8	172	-177.4	-55.9	174.4	93.6	0	0	112.6
308	Y	27.1	Very low	28	Very low	229 Å²	229	132 Å²	132	90%	0.898	78%	0.776	S	S	*	*				-173	154.5	125.1	-111.5	-74.8	0	0	0	111.4
309	S	28.8	Very low	28.3	Very low	78 Å²	78	135 Å²	135	55%	0.545	78%	0.778	S	S	.	*				-146.1	159.6	-76.8	-69.4	0	0	0	0	110.2
310	Q	29.8	Very low	28.4	Very low	191 Å²	191	132.8 Å²	132.8	89%	0.893	78%	0.778	S	S	*	*			trans	-132.8	138.3	159	-84.9	-162.1	-4	0	0	111
311	P	36.5	Very low	28.4	Very low	117 Å²	117	136 Å²	136	76%	0.76	78%	0.777	S	S	*	*			trans	-115.7	-175.1	176.6	46.9	-36.8	0	0	0	111.7
312	P	39.3	Very low	28.5	Very low	129 Å²	129	140.7 Å²	140.7	84%	0.838	79%	0.785	S	S	*	*				-124.4	178.8	-98	27.5	-4.4	0	0	0	113.3
313	G	28.2	Very low	28.5	Very low	69 Å²	69	141 Å²	141	71%	0.711	78%	0.783	S	S	*	*			cis	137.6	141.9	-2.5	0	0	0	0	0	112.4
314	F	24.2	Very low	28.5	Very low	212 Å²	212	139.5 Å²	139.5	93%	0.93	78%	0.783	S	S	*	*			trans	-159.2	163.2	157.4	-140.8	-102.7	0	0	0	112.3
315	S	26.8	Very low	28.9	Very low	103 Å²	103	143.3 Å²	143.3	72%	0.72	79%	0.787	S	S	*	*			trans	-105.6	147.3	-157.4	59.1	0	0	0	0	116.7
316	G	25.1	Very low	29.2	Very low	72 Å²	72	149.7 Å²	149.7	74%	0.742	80%	0.801	S	S	*	*			trans	-169.9	111.6	165.6	0	0	0	0	0	114.2
317	S	26.9	Very low	29.4	Very low	131 Å²	131	149.9 Å²	149.9	92%	0.916	80%	0.796	S	S	*	*			trans	-59.9	132.5	-177.6	177.4	0	0	0	0	113.9
318	S	27.1	Very low	30.3	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	78%	0.783	S	S	*	*			trans	-117.1	112.7	175.5	49.6	0	0	0	0	112	T320	S318-T320 PolarHBondContact O-N 3Å
319	Q	30.3	Very low	32	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	77%	0.766	S	S	*	*			trans	-64.5	131.7	170.5	-69.7	178	-20.8	0	0	110.6	K321	Q319-K321 VanDerWaalsContact C-N 3.31Å; Q319-K321 PolarHBondContact O-N 3.16Å
320	T	28.1	Very low	33.7	Very low	140 Å²	140	140.7 Å²	140.7	86%	0.859	77%	0.77	S	S	*	*			trans	-71.6	81.6	175.1	51.1	0	0	0	0	111.6	S318 K322	S318-T320 PolarHBondContact O-N 3Å; T320-K322 PolarHBondContact O-N 3.29Å
321	K	28.5	Very low	35.5	Very low	181 Å²	181	134.9 Å²	134.9	79%	0.787	76%	0.755	S	S	*	*			trans	-63.7	101	167.9	-70.5	-175.2	178.3	177.9	0	109.5	Q319 Q323	Q319-K321 VanDerWaalsContact C-N 3.31Å; Q319-K321 PolarHBondContact O-N 3.16Å; K321-Q323 PolarHBondContact O-N 3.25Å; K321-Q323 VanDerWaalsContact O-N 3.17Å
322	K	28.7	Very low	37	Very low	201 Å²	201	132.2 Å²	132.2	87%	0.874	74%	0.739	S	S	*	*			trans	-59.4	116.4	170.4	-72.7	-175.7	174.5	-178.2	0	109.2	T320	T320-K322 PolarHBondContact O-N 3.29Å
323	Q	28	Very low	38.4	Very low	160 Å²	160	131.6 Å²	131.6	75%	0.748	72%	0.72	S	S	*	*			trans	-72.2	137.8	176.1	-76.7	-72.6	10.1	0	0	110.5	K321 W325	K321-Q323 PolarHBondContact O-N 3.25Å; K321-Q323 VanDerWaalsContact O-N 3.17Å; Q323-W325 VanDerWaalsContact C-N 3.34Å; Q323-W325 PolarHBondContact O-N 2.97Å
324	P	30.6	Very low	40.7	Very low	111 Å²	111	137.1 Å²	137.1	72%	0.721	72%	0.719	S	S	*	*	S	Bend	trans	-79.2	-2.7	-166.2	-17.5	33.4	0	0	0	116.8	Y326	P324-Y326 PolarHBondContact O-N 2.95Å
325	W	33.2	Very low	43.3	Very low	216 Å²	216	134.7 Å²	134.7	82%	0.818	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-76.1	-20.6	-154.3	-138.3	-73.2	0	0	0	116.3	Q323 N327	Q323-W325 VanDerWaalsContact C-N 3.34Å; Q323-W325 PolarHBondContact O-N 2.97Å; W325-N327 PolarHBondContact O-N 2.94Å
326	Y	31.5	Very low	45.7	Very low	214 Å²	214	132 Å²	132	84%	0.839	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-74.1	-16.4	-167	-99.1	-91.8	0	0	0	116.3	P324	P324-Y326 PolarHBondContact O-N 2.95Å
327	N	31.6	Very low	48.3	Very low	150 Å²	150	131.1 Å²	131.1	80%	0.802	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-87.6	-5.2	-175.5	-71.6	-4	0	0	0	114.6	W325	W325-N327 PolarHBondContact O-N 2.94Å
328	S	46.2	Very low	50.9	Low	71 Å²	71	129.9 Å²	129.9	50%	0.497	65%	0.648	S	S	.	*	H	α-helix	trans	-75.1	-25.9	-172.4	-168	0	0	0	0	114.4	S332	S328-S332 VanDerWaalsContact O-CB 3.31Å; S328-S332 WeakPolarHBondContact O-CB 3.47Å; S328-S332 PolarHBondContact O-N 2.67Å; S328-S332 PolarHBondContact O-OG 3Å
329	T	62.9	Low	53.4	Low	91 Å²	91	127.7 Å²	127.7	56%	0.558	64%	0.636	S	S	*	*	H	α-helix	trans	-73.9	-48.8	-165.1	51.1	0	0	0	0	113.9	S332 R333	T329-S332 PolarHBondContact O-N 3.41Å; T329-R333 VanDerWaalsContact O-CB 3.28Å; T329-R333 WeakPolarHBondContact O-CB 3.12Å; T329-R333 PolarHBondContact O-N 3.4Å
330	L	63.8	Low	55.9	Low	120 Å²	120	120.3 Å²	120.3	63%	0.628	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-43.2	-174.2	-75.3	175.5	0	0	0	113.3	R333 R334	L330-R333 PolarHBondContact O-N 2.97Å; L330-R334 WeakPolarHBondContact O-CB 3.46Å; L330-R334 WeakPolarHBondContact O-CG 3.46Å; L330-R334 PolarHBondContact O-N 3.49Å
331	A	68	Low	58.6	Low	69 Å²	69	119.8 Å²	119.8	57%	0.57	59%	0.587	S	S	*	*	H	α-helix	trans	-64.8	-42.3	177.6	0	0	0	0	0	111.5	R334 K335	A331-R334 PolarHBondContact O-N 3.19Å; A331-K335 PolarHBondContact O-N 3.48Å
332	S	68.6	Low	61.2	Low	61 Å²	61	116.6 Å²	116.6	43%	0.427	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-39.6	176.7	-56.6	0	0	0	0	112.4	S328 T329 K335 R336	S328-S332 VanDerWaalsContact O-CB 3.31Å; S328-S332 WeakPolarHBondContact O-CB 3.47Å; S328-S332 PolarHBondContact O-N 2.67Å; S328-S332 PolarHBondContact O-OG 3Å; T329-S332 PolarHBondContact O-N 3.41Å; S332-K335 PolarHBondContact O-N 2.89Å; S332-R336 WeakPolarHBondContact O-CG 3.32Å; S332-R336 PolarHBondContact O-N 2.88Å
333	R	69	Low	63.8	Low	116 Å²	116	107.8 Å²	107.8	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-64.9	-44.7	174.9	-162.7	177.3	-168.8	179.5	5.5	111.1	T329 L330 R336 L337 T377	T329-R333 VanDerWaalsContact O-CB 3.28Å; T329-R333 WeakPolarHBondContact O-CB 3.12Å; T329-R333 PolarHBondContact O-N 3.4Å; L330-R333 PolarHBondContact O-N 2.97Å; R333-R336 PolarHBondContact O-N 3.16Å; R333-L337 HydrophobicContact CG-CD1 4.38Å; R333-L337 WeakPolarHBondContact O-CG 3.44Å; R333-L337 PolarHBondContact O-N 3.4Å; R333-T377 HydrophobicContact CG-CG2 4.23Å; R333-T377 PolarHBondContact NE-OG1 3.14Å; R333-T377 PolarHBondContact NH2-OG1 3.08Å
334	R	75.3	Confident	66.5	Low	184 Å²	184	100.7 Å²	100.7	69%	0.694	51%	0.505	S	S	*	.	H	α-helix	trans	-57.6	-50.6	172.5	-76.3	179.7	177.9	-176.2	-1	111.7	L330 A331 R336 L337 T338	L330-R334 WeakPolarHBondContact O-CB 3.46Å; L330-R334 WeakPolarHBondContact O-CG 3.46Å; L330-R334 PolarHBondContact O-N 3.49Å; A331-R334 PolarHBondContact O-N 3.19Å; R334-R336 VanDerWaalsContact C-N 3.3Å; R334-R336 PolarHBondContact O-N 3.15Å; R334-L337 PolarHBondContact O-N 2.81Å; R334-L337 VanDerWaalsContact O-N 3.13Å; R334-T338 PolarHBondContact O-N 3Å; R334-T338 PolarHBondContact O-OG1 2.81Å; R334-T338 VanDerWaalsContact O-OG1 3.12Å
335	K	79.8	Confident	69	Low	162 Å²	162	99.5 Å²	99.5	70%	0.704	49%	0.49	S	S	*	.	H	α-helix	trans	-57.1	-40.6	178.7	-174.5	177.1	179	-179.8	0	112.8	A331 S332 A339	A331-K335 PolarHBondContact O-N 3.48Å; S332-K335 PolarHBondContact O-N 2.89Å; K335-A339 PolarHBondContact O-N 2.7Å; K335-A339 VanDerWaalsContact O-N 3.08Å
336	R	75.9	Confident	71.4	Confident	45 Å²	45	95.4 Å²	95.4	17%	0.17	48%	0.48	C	S	.	.	H	α-helix	trans	-67.7	-43.6	175.2	-70.2	-164.2	-61.5	156.6	-1.3	112.5	S332 R333 R334 T338 A339 H340 Y379	S332-R336 WeakPolarHBondContact O-CG 3.32Å; S332-R336 PolarHBondContact O-N 2.88Å; R333-R336 PolarHBondContact O-N 3.16Å; R334-R336 VanDerWaalsContact C-N 3.3Å; R334-R336 PolarHBondContact O-N 3.15Å; R336-T338 VanDerWaalsContact C-N 3.32Å; R336-T338 PolarHBondContact O-N 2.87Å; R336-A339 PolarHBondContact O-N 3.23Å; R336-H340 PolarHBondContact O-CD2 3.39Å; R336-H340 VanDerWaalsContact O-CD2 3.24Å; R336-H340 PolarHBondContact O-N 2.88Å; R336-Y379 VanDerWaalsContact CZ-O 3.29Å; R336-Y379 PolarHBondContact NH1-O 3.21Å; R336-Y379 PolarHBondContact NH2-O 2.79Å
337	L	80.8	Confident	73.7	Confident	54 Å²	54	85.6 Å²	85.6	28%	0.283	44%	0.442	S	S	.	.	H	α-helix	trans	-58.6	-42.8	175.1	-71.2	165.2	0	0	0	111.6	R333 R334 H340 F341 L344 L373 F376 T377	R333-L337 HydrophobicContact CG-CD1 4.38Å; R333-L337 WeakPolarHBondContact O-CG 3.44Å; R333-L337 PolarHBondContact O-N 3.4Å; R334-L337 PolarHBondContact O-N 2.81Å; R334-L337 VanDerWaalsContact O-N 3.13Å; L337-H340 CarbonylContact O-C 3.6Å; L337-H340 PolarHBondContact O-N 3.24Å; L337-F341 WeakPolarHBondContact O-CA 3.41Å; L337-F341 PolarHBondContact O-N 3.15Å; L337-L344 HydrophobicContact CD2-CD1 3.8Å; L337-L373 HydrophobicContact CD2-CD2 3.81Å; L337-F376 HydrophobicContact CD2-CD1 4.36Å; L337-F376 HydrophobicContact CD2-CE1 4.14Å; L337-T377 HydrophobicContact CD2-CG2 4.08Å
338	T	80.3	Confident	76.2	Confident	105 Å²	105	79.3 Å²	79.3	64%	0.644	41%	0.408	S	S	*	.	H	α-helix	trans	-63.5	-44.6	175.2	-51	0	0	0	0	112.5	R334 R336 H340 F341	R334-T338 PolarHBondContact O-N 3Å; R334-T338 PolarHBondContact O-OG1 2.81Å; R334-T338 VanDerWaalsContact O-OG1 3.12Å; R336-T338 VanDerWaalsContact C-N 3.32Å; R336-T338 PolarHBondContact O-N 2.87Å; T338-H340 PolarHBondContact O-N 3.02Å; T338-F341 VanDerWaalsContact O-CB 3.31Å; T338-F341 WeakPolarHBondContact O-CB 3.35Å; T338-F341 PolarHBondContact O-N 2.83Å; T338-F341 VanDerWaalsContact O-N 3.16Å
339	A	80.7	Confident	77.8	Confident	61 Å²	61	77.6 Å²	77.6	50%	0.504	39%	0.391	S	S	.	.	H	α-helix	trans	-64.7	-26.5	178.3	0	0	0	0	0	113.4	K335 R336 K650	K335-A339 PolarHBondContact O-N 2.7Å; K335-A339 VanDerWaalsContact O-N 3.08Å; R336-A339 PolarHBondContact O-N 3.23Å; A339-K650 PolarHBondContact O-NZ 2.9Å; A339-K650 VanDerWaalsContact O-NZ 3.09Å
340	H	83.5	Confident	78.5	Confident	14 Å²	14	76 Å²	76	7%	0.065	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	9.7	176.9	-70.9	-114.1	0	0	0	113.3	R336 L337 T338 E342 D343 L344 F376 K650 T651	R336-H340 PolarHBondContact O-CD2 3.39Å; R336-H340 VanDerWaalsContact O-CD2 3.24Å; R336-H340 PolarHBondContact O-N 2.88Å; L337-H340 CarbonylContact O-C 3.6Å; L337-H340 PolarHBondContact O-N 3.24Å; T338-H340 PolarHBondContact O-N 3.02Å; H340-E342 PolarHBondContact O-N 3.23Å; H340-D343 WeakPolarHBondContact O-CB 3.22Å; H340-D343 PolarHBondContact O-N 2.89Å; H340-L344 HydrophobicContact CB-CD1 4.05Å; H340-L344 HydrophobicContact CB-CG 4.32Å; H340-L344 WeakPolarHBondContact O-CG 3.33Å; H340-L344 PolarHBondContact O-N 3.15Å; H340-F376 HydrophobicContact CB-CE1 4.12Å; H340-F376 HydrophobicContact CB-CZ 3.79Å; H340-F376 AromaticContact CD2-CZ 3.62Å; H340-F376 AromaticContact CE1-CE2 3.59Å; H340-F376 AromaticContact CE1-CZ 3.85Å; H340-F376 AromaticContact CG-CE2 3.85Å; H340-F376 AromaticContact CG-CZ 3.38Å; H340-F376 AromaticContact ND1-CE2 3.48Å; H340-F376 WeakPolarHBondContact ND1-CE2 3.44Å; H340-F376 AromaticContact ND1-CZ 3.54Å; H340-F376 AromaticContact NE2-CZ 3.91Å; H340-K650 VanDerWaalsContact CE1-CB 3.5Å; H340-K650 WeakPolarHBondContact CE1-CB 3.35Å; H340-T651 PolarHBondContact CE1-O 3.13Å; H340-T651 PolarHBondContact NE2-O 3.17Å
341	F	83.9	Confident	79	Confident	129 Å²	129	71.2 Å²	71.2	57%	0.566	36%	0.36	S	S	*	.	H	α-helix	trans	-56.4	-51.7	-171.7	-174.3	-91.6	0	0	0	112.3	L337 T338 D343 L344 E345	L337-F341 WeakPolarHBondContact O-CA 3.41Å; L337-F341 PolarHBondContact O-N 3.15Å; T338-F341 VanDerWaalsContact O-CB 3.31Å; T338-F341 WeakPolarHBondContact O-CB 3.35Å; T338-F341 PolarHBondContact O-N 2.83Å; T338-F341 VanDerWaalsContact O-N 3.16Å; F341-D343 VanDerWaalsContact C-N 3.26Å; F341-D343 PolarHBondContact O-N 2.74Å; F341-L344 PolarHBondContact O-N 3.13Å; F341-L344 VanDerWaalsContact O-N 3.1Å; F341-E345 VanDerWaalsContact O-CB 3.27Å; F341-E345 WeakPolarHBondContact O-CB 3.23Å; F341-E345 PolarHBondContact O-N 2.96Å
342	E	83.6	Confident	79.1	Confident	115 Å²	115	68.4 Å²	68.4	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-57.5	-35.1	177.2	-52.9	163	129.2	0	0	113.1	H340 Q346 K650	H340-E342 PolarHBondContact O-N 3.23Å; E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 VanDerWaalsContact O-CG 3.23Å; E342-Q346 WeakPolarHBondContact O-CG 3.46Å; E342-Q346 PolarHBondContact O-N 2.94Å; E342-Q346 VanDerWaalsContact O-N 3.09Å; E342-K650 IonicContact OE2-NZ 2.66Å; E342-K650 PolarHBondContact OE2-NZ 2.63Å
343	D	83.3	Confident	79	Confident	16 Å²	16	68.4 Å²	68.4	9%	0.086	33%	0.328	C	S	.	.	H	α-helix	trans	-74.8	-38.1	178.9	-85	56.8	0	0	0	110.9	H340 F341 C347 L648 S649 K650	H340-D343 WeakPolarHBondContact O-CB 3.22Å; H340-D343 PolarHBondContact O-N 2.89Å; F341-D343 VanDerWaalsContact C-N 3.26Å; F341-D343 PolarHBondContact O-N 2.74Å; D343-C347 VanDerWaalsContact O-CB 3.29Å; D343-C347 WeakPolarHBondContact O-CB 3.31Å; D343-C347 PolarHBondContact O-N 3.4Å; D343-L648 HydrophobicContact CB-CD2 4.01Å; D343-L648 WeakPolarHBondContact O-CD2 3.41Å; D343-S649 VanDerWaalsContact OD2-CA 3.31Å; D343-S649 WeakPolarHBondContact OD2-CA 3.34Å; D343-S649 VanDerWaalsContact OD2-CB 3.28Å; D343-S649 WeakPolarHBondContact OD2-CB 3.43Å; D343-S649 PolarHBondContact OD2-N 3.41Å; D343-K650 WeakPolarHBondContact OD1-CD 3.39Å; D343-K650 WeakPolarHBondContact OD1-CE 3.36Å; D343-K650 WeakPolarHBondContact OD1-CG 3.33Å; D343-K650 IonicContact OD1-NZ 3.41Å; D343-K650 PolarHBondContact OD1-NZ 3.41Å; D343-K650 PolarHBondContact OD2-N 2.86Å
344	L	84.3	Confident	78.6	Confident	11 Å²	11	67 Å²	67	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-73.4	-37.9	178.3	-73	166.1	0	0	0	111.6	L337 H340 F341 C347 Y348 F369 L373 F376 L648	L337-L344 HydrophobicContact CD2-CD1 3.8Å; H340-L344 HydrophobicContact CB-CD1 4.05Å; H340-L344 HydrophobicContact CB-CG 4.32Å; H340-L344 WeakPolarHBondContact O-CG 3.33Å; H340-L344 PolarHBondContact O-N 3.15Å; F341-L344 PolarHBondContact O-N 3.13Å; F341-L344 VanDerWaalsContact O-N 3.1Å; L344-C347 WeakPolarHBondContact O-CB 3.49Å; L344-C347 PolarHBondContact O-N 2.69Å; L344-Y348 WeakPolarHBondContact O-CB 3.3Å; L344-Y348 PolarHBondContact O-N 3.35Å; L344-F369 HydrophobicContact CD2-CE2 4.49Å; L344-F369 WeakPolarHBondContact O-CE2 3.34Å; L344-L373 HydrophobicContact CD1-CD2 4.12Å; L344-L373 HydrophobicContact CD2-CD2 3.71Å; L344-F376 HydrophobicContact CD1-CD1 4.4Å; L344-F376 HydrophobicContact CD1-CE1 4.23Å; L344-F376 HydrophobicContact CD2-CD1 4.34Å; L344-L648 HydrophobicContact CD2-CD1 3.77Å; L344-L648 HydrophobicContact CD2-CD2 3.85Å; L344-L648 HydrophobicContact CD2-CG 4.45Å; L344-L648 HydrophobicContact CG-CD1 4.34Å; L344-L648 HydrophobicContact CG-CD2 4.23Å
345	E	83.4	Confident	77.5	Confident	86 Å²	86	64.9 Å²	64.9	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-61.1	-51.7	171.7	178.2	-178.5	-166	0	0	110.8	F341 C347 Y348 F349	F341-E345 VanDerWaalsContact O-CB 3.27Å; F341-E345 WeakPolarHBondContact O-CB 3.23Å; F341-E345 PolarHBondContact O-N 2.96Å; E345-C347 VanDerWaalsContact C-N 3.28Å; E345-C347 PolarHBondContact O-N 3.13Å; E345-Y348 PolarHBondContact O-N 2.88Å; E345-F349 HydrophobicContact CG-CD2 3.81Å; E345-F349 HydrophobicContact CG-CE2 3.7Å; E345-F349 VanDerWaalsContact O-CD2 3.31Å; E345-F349 WeakPolarHBondContact O-CD2 3.37Å; E345-F349 PolarHBondContact O-N 3.4Å
346	Q	82.5	Confident	76.1	Confident	129 Å²	129	61.6 Å²	61.6	60%	0.603	32%	0.317	S	S	*	.	H	α-helix	trans	-60.3	-37.9	172.9	-73.9	173.1	29.8	0	0	112	E342 S350	E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 VanDerWaalsContact O-CG 3.23Å; E342-Q346 WeakPolarHBondContact O-CG 3.46Å; E342-Q346 PolarHBondContact O-N 2.94Å; E342-Q346 VanDerWaalsContact O-N 3.09Å; Q346-S350 WeakPolarHBondContact O-CB 3.38Å; Q346-S350 PolarHBondContact O-N 3.29Å; Q346-S350 PolarHBondContact O-OG 2.8Å; Q346-S350 VanDerWaalsContact O-OG 3.06Å
347	C	81	Confident	74.7	Confident	8 Å²	8	64.3 Å²	64.3	5%	0.054	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-54.1	175.1	-167	0	0	0	0	111.1	D343 L344 E345 F349 S350 T351 L648	D343-C347 VanDerWaalsContact O-CB 3.29Å; D343-C347 WeakPolarHBondContact O-CB 3.31Å; D343-C347 PolarHBondContact O-N 3.4Å; L344-C347 WeakPolarHBondContact O-CB 3.49Å; L344-C347 PolarHBondContact O-N 2.69Å; E345-C347 VanDerWaalsContact C-N 3.28Å; E345-C347 PolarHBondContact O-N 3.13Å; C347-F349 PolarHBondContact O-N 2.81Å; C347-S350 PolarHBondContact O-N 3.4Å; C347-S350 PolarHBondContact O-OG 3.15Å; C347-T351 PolarHBondContact O-N 3.26Å; C347-T351 PolarHBondContact O-OG1 3.32Å; C347-L648 HydrophobicContact CB-CD2 3.9Å
348	Y	82.5	Confident	72.9	Confident	19 Å²	19	65.8 Å²	65.8	8%	0.075	35%	0.352	C	S	.	.	H	α-helix	trans	-52	-57.2	177.8	169.4	-101.8	0	0	0	111.5	V265 L266 D269 L344 E345 S350 T351 R352 F369	V265-Y348 PolarHBondContact O-OH 2.99Å; L266-Y348 HydrophobicContact CD2-CE1 3.57Å; L266-Y348 HydrophobicContact CG-CE1 4.23Å; D269-Y348 PolarHBondContact OD2-OH 3.15Å; L344-Y348 WeakPolarHBondContact O-CB 3.3Å; L344-Y348 PolarHBondContact O-N 3.35Å; E345-Y348 PolarHBondContact O-N 2.88Å; Y348-S350 VanDerWaalsContact C-N 3.32Å; Y348-S350 PolarHBondContact O-N 3.3Å; Y348-T351 PolarHBondContact O-N 3.47Å; Y348-R352 HydrophobicContact CD2-CG 3.99Å; Y348-R352 HydrophobicContact CE1-CG 4.34Å; Y348-R352 HydrophobicContact CE2-CG 3.68Å; Y348-R352 HydrophobicContact CG-CG 4.45Å; Y348-R352 WeakPolarHBondContact O-CB 3.06Å; Y348-R352 VanDerWaalsContact O-CG 3.27Å; Y348-R352 WeakPolarHBondContact O-CG 3.36Å; Y348-R352 PolarHBondContact O-N 3.22Å; Y348-F369 AromaticContact CD2-CD1 3.86Å; Y348-F369 HydrophobicContact CD2-CD1 3.86Å; Y348-F369 HydrophobicContact CD2-CD2 4.44Å; Y348-F369 HydrophobicContact CD2-CE1 4.08Å; Y348-F369 HydrophobicContact CD2-CG 4.05Å; Y348-F369 HydrophobicContact CD2-CZ 4.49Å
349	F	80.6	Confident	71.3	Confident	34 Å²	34	68.8 Å²	68.8	15%	0.149	36%	0.364	C	S	.	.	H	α-helix	trans	-63	-37.6	180	-73.4	-55	0	0	0	111.9	E262 L266 E345 C347 R352 M353	E262-F349 HydrophobicContact CB-CE1 3.89Å; E262-F349 HydrophobicContact CB-CZ 4.26Å; E262-F349 HydrophobicContact CG-CD1 4.28Å; E262-F349 HydrophobicContact CG-CE1 3.95Å; E262-F349 HydrophobicContact CG-CZ 4.48Å; L266-F349 HydrophobicContact CD1-CE1 4.36Å; L266-F349 HydrophobicContact CD1-CZ 4.03Å; L266-F349 HydrophobicContact CG-CE1 4.41Å; L266-F349 HydrophobicContact CG-CZ 4.49Å; E345-F349 HydrophobicContact CG-CD2 3.81Å; E345-F349 HydrophobicContact CG-CE2 3.7Å; E345-F349 VanDerWaalsContact O-CD2 3.31Å; E345-F349 WeakPolarHBondContact O-CD2 3.37Å; E345-F349 PolarHBondContact O-N 3.4Å; C347-F349 PolarHBondContact O-N 2.81Å; F349-R352 PolarHBondContact O-N 3.24Å; F349-M353 HydrophobicContact CB-CE 4.19Å; F349-M353 HydrophobicContact CB-SD 3.67Å; F349-M353 HydrophobicContact CD1-SD 3.55Å; F349-M353 VanDerWaalsContact CD1-SD 3.55Å; F349-M353 HydrophobicContact CG-SD 4Å; F349-M353 VanDerWaalsContact O-CB 3.26Å; F349-M353 WeakPolarHBondContact O-CB 3.48Å; F349-M353 PolarHBondContact O-N 2.88Å; F349-M353 VanDerWaalsContact O-SD 3.37Å
350	S	77.1	Confident	69.5	Low	59 Å²	59	71.3 Å²	71.3	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-40.6	175.5	74.1	0	0	0	0	113.1	Q346 C347 Y348 S354	Q346-S350 WeakPolarHBondContact O-CB 3.38Å; Q346-S350 PolarHBondContact O-N 3.29Å; Q346-S350 PolarHBondContact O-OG 2.8Å; Q346-S350 VanDerWaalsContact O-OG 3.06Å; C347-S350 PolarHBondContact O-N 3.4Å; C347-S350 PolarHBondContact O-OG 3.15Å; Y348-S350 VanDerWaalsContact C-N 3.32Å; Y348-S350 PolarHBondContact O-N 3.3Å; S350-S354 WeakPolarHBondContact O-CB 3.45Å; S350-S354 PolarHBondContact O-N 3.28Å; S350-S354 VanDerWaalsContact O-N 3.12Å
351	T	74.6	Confident	68.1	Low	19 Å²	19	76.6 Å²	76.6	12%	0.117	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-48.8	176	-65.6	0	0	0	0	110.8	C347 Y348 Q365 E368	C347-T351 PolarHBondContact O-N 3.26Å; C347-T351 PolarHBondContact O-OG1 3.32Å; Y348-T351 PolarHBondContact O-N 3.47Å; T351-Q365 HydrophobicContact CG2-CB 4.45Å; T351-E368 HydrophobicContact CG2-CB 4.01Å; T351-E368 HydrophobicContact CG2-CG 3.96Å
352	R	71.4	Confident	66.6	Low	9 Å²	9	73 Å²	73	3%	0.034	39%	0.386	C	S	.	.	H	α-helix	trans	-65.8	-47.5	-179.4	-67.8	-69.1	-66.3	-152.7	-18.4	113	V265 D269 Y348 F349 T362	V265-R352 HydrophobicContact CG1-CB 4.29Å; V265-R352 HydrophobicContact CG1-CG 4.48Å; V265-R352 PolarHBondContact O-NH2 3.43Å; D269-R352 IonicContact OD1-CZ 3.37Å; D269-R352 IonicContact OD1-NH1 2.62Å; D269-R352 PolarHBondContact OD1-NH1 3.16Å; D269-R352 IonicContact OD1-NH2 2.73Å; D269-R352 PolarHBondContact OD1-NH2 2.92Å; D269-R352 IonicContact OD2-CZ 3.11Å; D269-R352 IonicContact OD2-NE 2.88Å; D269-R352 PolarHBondContact OD2-NE 3.26Å; D269-R352 IonicContact OD2-NH1 2.82Å; D269-R352 PolarHBondContact OD2-NH1 3.09Å; D269-R352 IonicContact OD2-NH2 3.1Å; D269-R352 PolarHBondContact OD2-NH2 3.21Å; D269-R352 VanDerWaalsContact OD2-NH2 3.1Å; Y348-R352 HydrophobicContact CD2-CG 3.99Å; Y348-R352 HydrophobicContact CE1-CG 4.34Å; Y348-R352 HydrophobicContact CE2-CG 3.68Å; Y348-R352 HydrophobicContact CG-CG 4.45Å; Y348-R352 WeakPolarHBondContact O-CB 3.06Å; Y348-R352 VanDerWaalsContact O-CG 3.27Å; Y348-R352 WeakPolarHBondContact O-CG 3.36Å; Y348-R352 PolarHBondContact O-N 3.22Å; F349-R352 PolarHBondContact O-N 3.24Å; R352-T362 PolarHBondContact NH1-O 3.49Å
353	M	66.4	Low	65.2	Low	61 Å²	61	70.6 Å²	70.6	30%	0.3	39%	0.386	S	S	.	.	H	α-helix	trans	-85.3	-9	-174.4	-68.4	130.3	65.9	0	0	114.2	E262 F349 R355 I356	E262-M353 HydrophobicContact CG-CE 4.22Å; E262-M353 HydrophobicContact CG-SD 4.28Å; E262-M353 WeakPolarHBondContact OE1-CE 3.5Å; F349-M353 HydrophobicContact CB-CE 4.19Å; F349-M353 HydrophobicContact CB-SD 3.67Å; F349-M353 HydrophobicContact CD1-SD 3.55Å; F349-M353 VanDerWaalsContact CD1-SD 3.55Å; F349-M353 HydrophobicContact CG-SD 4Å; F349-M353 VanDerWaalsContact O-CB 3.26Å; F349-M353 WeakPolarHBondContact O-CB 3.48Å; F349-M353 PolarHBondContact O-N 2.88Å; F349-M353 VanDerWaalsContact O-SD 3.37Å; M353-R355 PolarHBondContact O-N 2.98Å; M353-R355 VanDerWaalsContact O-N 3.14Å; M353-I356 HydrophobicContact CB-CD1 3.95Å; M353-I356 HydrophobicContact CG-CD1 3.69Å
354	S	60.6	Low	64.2	Low	87 Å²	87	72.6 Å²	72.6	61%	0.608	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.5	178.4	178.7	0	0	0	0	114.4	S350	S350-S354 WeakPolarHBondContact O-CB 3.45Å; S350-S354 PolarHBondContact O-N 3.28Å; S350-S354 VanDerWaalsContact O-N 3.12Å
355	R	52	Low	63.5	Low	140 Å²	140	73.1 Å²	73.1	53%	0.528	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	46.7	-173.8	-57.5	-169.2	-165.4	-144.9	6.7	114.6	M353 S357	M353-R355 PolarHBondContact O-N 2.98Å; M353-R355 VanDerWaalsContact O-N 3.14Å; R355-S357 PolarHBondContact O-N 3.26Å
356	I	49.4	Very low	63.1	Low	92 Å²	92	70 Å²	70	47%	0.472	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	60.2	172.8	-49.1	168.8	0	0	0	110	M353	M353-I356 HydrophobicContact CB-CD1 3.95Å; M353-I356 HydrophobicContact CG-CD1 3.69Å
357	S	46.8	Very low	62.8	Low	103 Å²	103	68.2 Å²	68.2	72%	0.72	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.5	-5.9	178.3	66.8	0	0	0	0	114	R355	R355-S357 PolarHBondContact O-N 3.26Å
358	D	43	Very low	62.7	Low	85 Å²	85	73 Å²	73	46%	0.455	41%	0.405	S	S	.	.			trans	-129.5	98.6	175.9	-81.7	-39.2	0	0	0	108.9	S360	D358-S360 PolarHBondContact O-N 3.12Å
359	D	45.5	Very low	62.7	Low	167 Å²	167	73.9 Å²	73.9	89%	0.893	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-4.2	-176.8	-71.6	-38	0	0	0	115
360	S	44.5	Very low	62.8	Low	115 Å²	115	78 Å²	78	80%	0.804	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	9.6	-170.6	-172.4	0	0	0	0	115.2	D358	D358-S360 PolarHBondContact O-N 3.12Å
361	R	53.1	Low	63.2	Low	124 Å²	124	80 Å²	80	47%	0.468	43%	0.432	S	S	.	.			trans	-131.8	4.5	-164.2	-62.7	-168.3	-171.7	-130.6	1.2	118.1	A363 S364	R361-A363 PolarHBondContact O-N 3.04Å; R361-S364 PolarHBondContact O-N 2.88Å; R361-S364 PolarHBondContact O-OG 2.88Å
362	T	53.4	Low	63.7	Low	55 Å²	55	79.2 Å²	79.2	34%	0.337	43%	0.428	S	S	.	.	H	α-helix	trans	-54.6	-43.3	-172.8	49.2	0	0	0	0	114.3	R352 S364 Q365	R352-T362 PolarHBondContact NH1-O 3.49Å; T362-S364 PolarHBondContact O-N 2.67Å; T362-Q365 PolarHBondContact O-N 2.99Å
363	A	54.4	Low	64.3	Low	63 Å²	63	81.1 Å²	81.1	52%	0.521	44%	0.438	S	S	.	.	H	α-helix	trans	-55.7	-51.2	177.4	0	0	0	0	0	112.6	R361 Q365 L366 D367	R361-A363 PolarHBondContact O-N 3.04Å; A363-Q365 PolarHBondContact O-N 3.29Å; A363-L366 PolarHBondContact O-N 2.87Å; A363-D367 PolarHBondContact O-N 2.82Å
364	S	62.5	Low	65.3	Low	59 Å²	59	81.6 Å²	81.6	41%	0.413	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-16.8	-178	61	0	0	0	0	115.1	R361 T362 D367 E368	R361-S364 PolarHBondContact O-N 2.88Å; R361-S364 PolarHBondContact O-OG 2.88Å; T362-S364 PolarHBondContact O-N 2.67Å; S364-D367 WeakPolarHBondContact CA-OD2 3.39Å; S364-E368 PolarHBondContact O-N 2.84Å
365	Q	68.1	Low	66.6	Low	22 Å²	22	79.5 Å²	79.5	10%	0.103	43%	0.427	C	S	.	.	H	α-helix	trans	-83.5	-27.8	177.1	-61.6	170.9	1.5	0	0	112.4	T351 T362 A363 F369	T351-Q365 HydrophobicContact CG2-CB 4.45Å; T362-Q365 PolarHBondContact O-N 2.99Å; A363-Q365 PolarHBondContact O-N 3.29Å; Q365-F369 PolarHBondContact O-N 2.9Å
366	L	74.7	Confident	68.2	Low	20 Å²	20	73 Å²	73	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-69.8	-40.6	167.8	-87.9	174.2	0	0	0	110.5	D269 R272 V273 M276 A363 E368 F369 Q370	D269-L366 HydrophobicContact CB-CD1 4.33Å; D269-L366 HydrophobicContact CB-CD2 4.2Å; D269-L366 WeakPolarHBondContact OD2-CD2 3.49Å; D269-L366 WeakPolarHBondContact OD2-CG 3.2Å; R272-L366 HydrophobicContact CB-CD1 3.83Å; R272-L366 HydrophobicContact CG-CD1 4.44Å; V273-L366 HydrophobicContact CG2-CD2 4.47Å; M276-L366 HydrophobicContact CE-CD1 4.48Å; A363-L366 PolarHBondContact O-N 2.87Å; L366-E368 VanDerWaalsContact C-N 3.34Å; L366-E368 PolarHBondContact O-N 2.83Å; L366-F369 PolarHBondContact O-N 2.92Å; L366-Q370 WeakPolarHBondContact O-CB 3.47Å; L366-Q370 PolarHBondContact O-N 3.14Å
367	D	78.1	Confident	70	Confident	91 Å²	91	69.1 Å²	69.1	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-44	175.7	-62.3	-44.3	0	0	0	111.8	A363 S364 F369 Q370 E371	A363-D367 PolarHBondContact O-N 2.82Å; S364-D367 WeakPolarHBondContact CA-OD2 3.39Å; D367-F369 PolarHBondContact O-N 3.02Å; D367-Q370 PolarHBondContact O-N 3.45Å; D367-E371 WeakPolarHBondContact O-CB 3.32Å; D367-E371 PolarHBondContact O-N 2.88Å
368	E	78.2	Confident	71.9	Confident	110 Å²	110	68.5 Å²	68.5	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-39.5	176.4	-172.2	177.6	167.4	0	0	112.2	T351 S364 L366 C372	T351-E368 HydrophobicContact CG2-CB 4.01Å; T351-E368 HydrophobicContact CG2-CG 3.96Å; S364-E368 PolarHBondContact O-N 2.84Å; L366-E368 VanDerWaalsContact C-N 3.34Å; L366-E368 PolarHBondContact O-N 2.83Å; E368-C372 WeakPolarHBondContact O-CB 3.44Å; E368-C372 PolarHBondContact O-N 3.13Å
369	F	82.3	Confident	74.1	Confident	36 Å²	36	64.9 Å²	64.9	16%	0.158	35%	0.345	C	S	.	.	H	α-helix	trans	-72.6	-35.9	175.2	-177	-117.2	0	0	0	112.9	L344 Y348 Q365 L366 D367 C372 L373	L344-F369 HydrophobicContact CD2-CE2 4.49Å; L344-F369 WeakPolarHBondContact O-CE2 3.34Å; Y348-F369 AromaticContact CD2-CD1 3.86Å; Y348-F369 HydrophobicContact CD2-CD1 3.86Å; Y348-F369 HydrophobicContact CD2-CD2 4.44Å; Y348-F369 HydrophobicContact CD2-CE1 4.08Å; Y348-F369 HydrophobicContact CD2-CG 4.05Å; Y348-F369 HydrophobicContact CD2-CZ 4.49Å; Q365-F369 PolarHBondContact O-N 2.9Å; L366-F369 PolarHBondContact O-N 2.92Å; D367-F369 PolarHBondContact O-N 3.02Å; F369-C372 WeakPolarHBondContact O-CB 3.49Å; F369-C372 PolarHBondContact O-N 2.84Å; F369-L373 HydrophobicContact CD1-CD1 4Å; F369-L373 HydrophobicContact CE1-CD1 3.53Å; F369-L373 HydrophobicContact CE1-CG 4.22Å; F369-L373 HydrophobicContact CE2-CG 4.33Å; F369-L373 HydrophobicContact CZ-CD1 3.82Å; F369-L373 HydrophobicContact CZ-CD2 4.41Å; F369-L373 HydrophobicContact CZ-CG 4.04Å; F369-L373 PolarHBondContact O-N 2.91Å
370	Q	83	Confident	76	Confident	122 Å²	122	61 Å²	61	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-64.7	-40.3	172.7	-178.7	171.2	-74.6	0	0	111.3	L366 D367 L373 S374	L366-Q370 WeakPolarHBondContact O-CB 3.47Å; L366-Q370 PolarHBondContact O-N 3.14Å; D367-Q370 PolarHBondContact O-N 3.45Å; Q370-L373 PolarHBondContact O-N 3.17Å; Q370-S374 VanDerWaalsContact O-CB 3.31Å; Q370-S374 WeakPolarHBondContact O-CB 3.34Å; Q370-S374 PolarHBondContact O-N 2.96Å
371	E	85.5	Confident	78	Confident	99 Å²	99	57.7 Å²	57.7	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-42.9	173.4	-162.8	-164.4	-154.4	0	0	111.2	D367 S374 K375	D367-E371 WeakPolarHBondContact O-CB 3.32Å; D367-E371 PolarHBondContact O-N 2.88Å; E371-S374 WeakPolarHBondContact O-CB 3.14Å; E371-S374 PolarHBondContact O-N 2.87Å; E371-K375 HydrophobicContact CG-CD 4.06Å; E371-K375 HydrophobicContact CG-CG 4.46Å; E371-K375 WeakPolarHBondContact O-CB 3.43Å; E371-K375 WeakPolarHBondContact O-CG 3.48Å; E371-K375 PolarHBondContact O-N 3.43Å; E371-K375 WeakPolarHBondContact OE1-CE 3.44Å; E371-K375 IonicContact OE1-NZ 2.92Å; E371-K375 PolarHBondContact OE1-NZ 3.44Å; E371-K375 IonicContact OE2-NZ 3.62Å; E371-K375 PolarHBondContact OE2-NZ 2.9Å
372	C	85.4	Confident	79.9	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-56.6	-50	173.1	175.5	0	0	0	0	112.3	E368 F369 S374 K375 F376	E368-C372 WeakPolarHBondContact O-CB 3.44Å; E368-C372 PolarHBondContact O-N 3.13Å; F369-C372 WeakPolarHBondContact O-CB 3.49Å; F369-C372 PolarHBondContact O-N 2.84Å; C372-S374 VanDerWaalsContact C-N 3.34Å; C372-S374 PolarHBondContact O-N 3.14Å; C372-K375 PolarHBondContact O-N 3.27Å; C372-F376 VanDerWaalsContact O-CB 3.26Å; C372-F376 WeakPolarHBondContact O-CB 3.22Å; C372-F376 PolarHBondContact O-N 3.1Å
373	L	84.3	Confident	81.8	Confident	49 Å²	49	57.7 Å²	57.7	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-39.2	175.5	-79.1	170.4	0	0	0	112.7	L337 L344 F369 Q370 T377	L337-L373 HydrophobicContact CD2-CD2 3.81Å; L344-L373 HydrophobicContact CD1-CD2 4.12Å; L344-L373 HydrophobicContact CD2-CD2 3.71Å; F369-L373 HydrophobicContact CD1-CD1 4Å; F369-L373 HydrophobicContact CE1-CD1 3.53Å; F369-L373 HydrophobicContact CE1-CG 4.22Å; F369-L373 HydrophobicContact CE2-CG 4.33Å; F369-L373 HydrophobicContact CZ-CD1 3.82Å; F369-L373 HydrophobicContact CZ-CD2 4.41Å; F369-L373 HydrophobicContact CZ-CG 4.04Å; F369-L373 PolarHBondContact O-N 2.91Å; Q370-L373 PolarHBondContact O-N 3.17Å; L373-T377 WeakPolarHBondContact O-CB 3.42Å; L373-T377 WeakPolarHBondContact O-CG2 3.46Å; L373-T377 PolarHBondContact O-N 2.78Å; L373-T377 PolarHBondContact O-OG1 3.02Å
374	S	86.8	Confident	83.7	Confident	70 Å²	70	57.4 Å²	57.4	49%	0.49	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-54.7	176.7	-171.8	0	0	0	0	110.8	Q370 E371 C372 T377 R378	Q370-S374 VanDerWaalsContact O-CB 3.31Å; Q370-S374 WeakPolarHBondContact O-CB 3.34Å; Q370-S374 PolarHBondContact O-N 2.96Å; E371-S374 WeakPolarHBondContact O-CB 3.14Å; E371-S374 PolarHBondContact O-N 2.87Å; C372-S374 VanDerWaalsContact C-N 3.34Å; C372-S374 PolarHBondContact O-N 3.14Å; S374-T377 CarbonylContact O-C 3.52Å; S374-T377 PolarHBondContact O-N 2.79Å; S374-R378 PolarHBondContact O-N 3.15Å
375	K	87.4	Confident	85.1	Confident	44 Å²	44	57.2 Å²	57.2	19%	0.191	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-46.4	178.4	-69.7	173.2	178.6	172.8	0	112	E371 C372 T377 R378 D630 Y631 Y645	E371-K375 HydrophobicContact CG-CD 4.06Å; E371-K375 HydrophobicContact CG-CG 4.46Å; E371-K375 WeakPolarHBondContact O-CB 3.43Å; E371-K375 WeakPolarHBondContact O-CG 3.48Å; E371-K375 PolarHBondContact O-N 3.43Å; E371-K375 WeakPolarHBondContact OE1-CE 3.44Å; E371-K375 IonicContact OE1-NZ 2.92Å; E371-K375 PolarHBondContact OE1-NZ 3.44Å; E371-K375 IonicContact OE2-NZ 3.62Å; E371-K375 PolarHBondContact OE2-NZ 2.9Å; C372-K375 PolarHBondContact O-N 3.27Å; K375-T377 VanDerWaalsContact C-N 3.28Å; K375-T377 PolarHBondContact O-N 3.43Å; K375-R378 WeakPolarHBondContact O-CB 3.41Å; K375-R378 PolarHBondContact O-N 3.18Å; K375-D630 VanDerWaalsContact CD-OD2 3.32Å; K375-D630 WeakPolarHBondContact CD-OD2 3.48Å; K375-D630 VanDerWaalsContact CE-OD2 3.26Å; K375-D630 WeakPolarHBondContact CE-OD2 3.46Å; K375-D630 IonicContact NZ-OD2 3.25Å; K375-D630 PolarHBondContact NZ-OD2 2.61Å; K375-Y631 PolarHBondContact O-OH 3Å; K375-Y645 HydrophobicContact CB-CD2 4.01Å; K375-Y645 HydrophobicContact CB-CE2 3.56Å; K375-Y645 HydrophobicContact CD-CE2 3.83Å; K375-Y645 HydrophobicContact CG-CE2 4.31Å
376	F	86.8	Confident	86.3	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-57.2	-40.2	175.7	169.2	-120.4	0	0	0	112.8	L337 H340 L344 C372 Y645 L648 L652	L337-F376 HydrophobicContact CD2-CD1 4.36Å; L337-F376 HydrophobicContact CD2-CE1 4.14Å; H340-F376 HydrophobicContact CB-CE1 4.12Å; H340-F376 HydrophobicContact CB-CZ 3.79Å; H340-F376 AromaticContact CD2-CZ 3.62Å; H340-F376 AromaticContact CE1-CE2 3.59Å; H340-F376 AromaticContact CE1-CZ 3.85Å; H340-F376 AromaticContact CG-CE2 3.85Å; H340-F376 AromaticContact CG-CZ 3.38Å; H340-F376 AromaticContact ND1-CE2 3.48Å; H340-F376 WeakPolarHBondContact ND1-CE2 3.44Å; H340-F376 AromaticContact ND1-CZ 3.54Å; H340-F376 AromaticContact NE2-CZ 3.91Å; L344-F376 HydrophobicContact CD1-CD1 4.4Å; L344-F376 HydrophobicContact CD1-CE1 4.23Å; L344-F376 HydrophobicContact CD2-CD1 4.34Å; C372-F376 VanDerWaalsContact O-CB 3.26Å; C372-F376 WeakPolarHBondContact O-CB 3.22Å; C372-F376 PolarHBondContact O-N 3.1Å; F376-Y645 HydrophobicContact CB-CD1 4.3Å; F376-L648 HydrophobicContact CB-CD1 3.77Å; F376-L648 HydrophobicContact CD1-CD1 4.03Å; F376-L648 HydrophobicContact CD2-CD1 3.47Å; F376-L648 VanDerWaalsContact CD2-CD1 3.47Å; F376-L648 HydrophobicContact CE2-CD1 4.08Å; F376-L648 HydrophobicContact CG-CD1 3.45Å; F376-L648 VanDerWaalsContact CG-CD1 3.45Å; F376-L652 HydrophobicContact CD2-CD1 4.12Å; F376-L652 HydrophobicContact CD2-CG 3.93Å; F376-L652 HydrophobicContact CE2-CG 4.03Å
377	T	85.4	Confident	87.1	Confident	12 Å²	12	58.7 Å²	58.7	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-93.6	-4.2	-176.4	61	0	0	0	0	115.2	R333 L337 L373 S374 K375 Y379	R333-T377 HydrophobicContact CG-CG2 4.23Å; R333-T377 PolarHBondContact NE-OG1 3.14Å; R333-T377 PolarHBondContact NH2-OG1 3.08Å; L337-T377 HydrophobicContact CD2-CG2 4.08Å; L373-T377 WeakPolarHBondContact O-CB 3.42Å; L373-T377 WeakPolarHBondContact O-CG2 3.46Å; L373-T377 PolarHBondContact O-N 2.78Å; L373-T377 PolarHBondContact O-OG1 3.02Å; S374-T377 CarbonylContact O-C 3.52Å; S374-T377 PolarHBondContact O-N 2.79Å; K375-T377 VanDerWaalsContact C-N 3.28Å; K375-T377 PolarHBondContact O-N 3.43Å; T377-Y379 PolarHBondContact O-N 3.08Å
378	R	88.1	Confident	87.8	Confident	90 Å²	90	54.7 Å²	54.7	34%	0.34	28%	0.277	S	S	.	.	H	α-helix	trans	-52.4	-51.1	-179	177.6	173.8	163.6	132.5	0.6	112.6	S374 K375 E689 N691	S374-R378 PolarHBondContact O-N 3.15Å; K375-R378 WeakPolarHBondContact O-CB 3.41Å; K375-R378 PolarHBondContact O-N 3.18Å; R378-E689 IonicContact CZ-OE1 2.85Å; R378-E689 IonicContact CZ-OE2 3.76Å; R378-E689 IonicContact NH1-OE1 3.05Å; R378-E689 PolarHBondContact NH1-OE1 2.91Å; R378-E689 IonicContact NH1-OE2 2.67Å; R378-E689 PolarHBondContact NH1-OE2 3.37Å; R378-E689 VanDerWaalsContact NH2-CD 3.34Å; R378-E689 IonicContact NH2-OE1 3.93Å; R378-E689 IonicContact NH2-OE2 3.39Å; R378-E689 PolarHBondContact NH2-OE2 3.06Å; R378-N691 PolarHBondContact NH2-OD1 2.99Å
379	Y	87.8	Confident	88.4	Confident	8 Å²	8	52.7 Å²	52.7	3%	0.031	28%	0.275	C	S	.	.			trans	-99.7	149.5	178.1	-54.2	-57	0	0	0	111.4	R336 T377 Y631 N691 L707	R336-Y379 VanDerWaalsContact CZ-O 3.29Å; R336-Y379 PolarHBondContact NH1-O 3.21Å; R336-Y379 PolarHBondContact NH2-O 2.79Å; T377-Y379 PolarHBondContact O-N 3.08Å; Y379-Y631 HydrophobicContact CD2-CD1 4.37Å; Y379-Y631 AromaticContact CD2-CE1 3.89Å; Y379-Y631 HydrophobicContact CD2-CE1 3.89Å; Y379-Y631 HydrophobicContact CE2-CD1 4.31Å; Y379-Y631 HydrophobicContact CE2-CD2 4.18Å; Y379-Y631 AromaticContact CE2-CE1 3.9Å; Y379-Y631 HydrophobicContact CE2-CE1 3.9Å; Y379-Y631 AromaticContact CE2-CE2 3.76Å; Y379-Y631 HydrophobicContact CE2-CE2 3.76Å; Y379-Y631 HydrophobicContact CE2-CG 4.45Å; Y379-Y631 AromaticContact CE2-CZ 3.62Å; Y379-N691 HydrophobicContact CE1-CB 4.26Å; Y379-N691 PolarHBondContact OH-OD1 3.21Å; Y379-L707 HydrophobicContact CD1-CB 3.55Å; Y379-L707 HydrophobicContact CD2-CB 4.14Å; Y379-L707 HydrophobicContact CD2-CD1 3.82Å; Y379-L707 HydrophobicContact CE1-CB 3.8Å; Y379-L707 HydrophobicContact CE2-CB 4.34Å; Y379-L707 HydrophobicContact CE2-CD1 3.88Å; Y379-L707 HydrophobicContact CG-CB 3.74Å; Y379-L707 HydrophobicContact CG-CD1 4.24Å
380	N	86	Confident	88.6	Confident	85 Å²	85	51 Å²	51	46%	0.455	27%	0.268	S	S	.	.			trans	-136.6	-15.4	-178.5	68.8	86.4	0	0	0	114.3	L653 V708	N380-L653 WeakPolarHBondContact O-CD2 3.23Å; N380-V708 CarbonylContact C-O 3.59Å; N380-V708 WeakPolarHBondContact CA-O 3.25Å; N380-V708 VanDerWaalsContact CG-O 3.28Å; N380-V708 PolarHBondContact N-O 3.38Å; N380-V708 VanDerWaalsContact ND2-C 3.28Å; N380-V708 PolarHBondContact ND2-O 3.08Å; N380-V708 VanDerWaalsContact ND2-O 3.08Å; N380-V708 PolarHBondContact ND2-OXT 2.92Å
381	S	86.9	Confident	88.6	Confident	46 Å²	46	46.8 Å²	46.8	32%	0.322	25%	0.253	S	S	.	.			trans	-152.4	170.8	-178.3	63.3	0	0	0	0	111.8	V708	S381-V708 PolarHBondContact N-O 3.19Å; S381-V708 PolarHBondContact O-N 2.68Å; S381-V708 VanDerWaalsContact O-N 3.15Å; S381-V708 PolarHBondContact OG-O 3.31Å
382	V	93	Very high	87.5	Confident	31 Å²	31	44.9 Å²	44.9	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.1	175.8	-172.1	0	0	0	0	108.2	L653 F655 L705 E706 L707	V382-L653 HydrophobicContact CG2-CB 4.23Å; V382-L653 HydrophobicContact CG2-CD1 3.95Å; V382-F655 HydrophobicContact CB-CB 4.2Å; V382-F655 HydrophobicContact CB-CD2 4.15Å; V382-F655 HydrophobicContact CG1-CB 4.13Å; V382-F655 HydrophobicContact CG1-CD2 4.03Å; V382-F655 HydrophobicContact CG1-CG 4.22Å; V382-F655 HydrophobicContact CG2-CB 4.27Å; V382-L705 HydrophobicContact CG1-CB 3.87Å; V382-L705 HydrophobicContact CG1-CD1 4.35Å; V382-L705 HydrophobicContact CG1-CD2 4.25Å; V382-L705 HydrophobicContact CG1-CG 4.38Å; V382-E706 CarbonylContact C-O 3.59Å; V382-E706 WeakPolarHBondContact CA-O 3.1Å; V382-L707 HydrophobicContact CB-CD2 4.43Å; V382-L707 HydrophobicContact CG1-CD2 4.22Å; V382-L707 HydrophobicContact CG2-CD2 3.76Å
383	R	93.6	Very high	86.3	Confident	148 Å²	148	48.4 Å²	48.4	56%	0.558	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.1	-178.3	179.1	-175.9	175.7	-161.8	2.7	110.5	L385 E706 V708	R383-L385 PolarHBondContact O-N 3.05Å; R383-E706 HydrophobicContact CB-CB 4.39Å; R383-E706 WeakPolarHBondContact CD-OE2 3.28Å; R383-E706 PolarHBondContact N-O 2.99Å; R383-E706 IonicContact NH1-OE2 2.88Å; R383-E706 PolarHBondContact NH1-OE2 3.22Å; R383-E706 PolarHBondContact O-N 3Å; R383-V708 HydrophobicContact CB-CG2 4.23Å
384	P	93.3	Very high	84.9	Confident	58 Å²	58	54.4 Å²	54.4	38%	0.377	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	130.3	165.9	-20.9	33.9	0	0	0	111.4	F655 V704 L705	P384-F655 HydrophobicContact CG-CE2 3.75Å; P384-F655 HydrophobicContact CG-CZ 4.07Å; P384-V704 WeakPolarHBondContact CA-O 3.36Å; P384-L705 HydrophobicContact CB-CD2 4.17Å; P384-L705 HydrophobicContact CG-CD2 4.07Å
385	L	92.9	Very high	83.5	Confident	55 Å²	55	61.8 Å²	61.8	29%	0.288	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-48.9	170.1	-60.1	-175.2	0	0	0	110.6	R383 I431 V692 V704 E706	R383-L385 PolarHBondContact O-N 3.05Å; L385-I431 HydrophobicContact CB-CG2 4.21Å; L385-I431 HydrophobicContact CD1-CG2 4.39Å; L385-V692 HydrophobicContact CD1-CG2 4.38Å; L385-V704 HydrophobicContact CB-CB 4.31Å; L385-V704 HydrophobicContact CB-CG1 4.19Å; L385-V704 HydrophobicContact CD1-CG1 4.22Å; L385-V704 PolarHBondContact N-O 2.84Å; L385-E706 HydrophobicContact CD1-CB 4.1Å; L385-E706 HydrophobicContact CD2-CB 4.01Å; L385-E706 HydrophobicContact CG-CB 3.97Å
386	A	92.8	Very high	82	Confident	10 Å²	10	63.5 Å²	63.5	8%	0.083	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157	-179.7	0	0	0	0	0	111.5	L388 V430 K703 V704	A386-L388 HydrophobicContact CB-CD1 4.49Å; A386-V430 HydrophobicContact CB-CG1 3.84Å; A386-V430 VanDerWaalsContact CB-O 3.25Å; A386-V430 WeakPolarHBondContact CB-O 3.46Å; A386-K703 WeakPolarHBondContact O-CA 3.38Å; A386-V704 HydrophobicContact CB-CB 4.19Å; A386-V704 HydrophobicContact CB-CG2 4.02Å; A386-V704 PolarHBondContact O-N 2.73Å
387	T	92.2	Very high	81.2	Confident	63 Å²	63	67.8 Å²	67.8	39%	0.387	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.1	171.2	-59.7	0	0	0	0	108.7	T701 I702 K703	T387-T701 HydrophobicContact CG2-CG2 4.02Å; T387-I702 CarbonylContact C-O 3.57Å; T387-I702 VanDerWaalsContact CA-O 3.29Å; T387-I702 WeakPolarHBondContact CA-O 3.35Å; T387-K703 HydrophobicContact CG2-CG 4.07Å; T387-K703 PolarHBondContact OG1-NZ 2.91Å; T387-K703 VanDerWaalsContact OG1-NZ 3.12Å
388	L	91.7	Very high	81.2	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.037	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158	-178.9	-46.2	81.4	0	0	0	110.5	A386 F413 Y425 V430 H438 I702 V704	A386-L388 HydrophobicContact CB-CD1 4.49Å; L388-F413 HydrophobicContact CD2-CZ 4.13Å; L388-Y425 HydrophobicContact CD2-CD1 4.02Å; L388-Y425 HydrophobicContact CD2-CE1 3.95Å; L388-Y425 HydrophobicContact CD2-CG 4.35Å; L388-V430 HydrophobicContact CD1-CG1 3.85Å; L388-V430 HydrophobicContact CD2-CG1 3.92Å; L388-V430 HydrophobicContact CD2-CG2 3.9Å; L388-V430 HydrophobicContact CG-CG1 4.2Å; L388-H438 HydrophobicContact CD2-CB 3.85Å; L388-H438 HydrophobicContact CG-CB 4.24Å; L388-I702 HydrophobicContact CB-CB 4.16Å; L388-I702 HydrophobicContact CB-CD1 4.02Å; L388-I702 HydrophobicContact CD1-CB 4.26Å; L388-I702 HydrophobicContact CD1-CG2 4Å; L388-I702 PolarHBondContact N-O 3.42Å; L388-I702 PolarHBondContact O-N 3.21Å; L388-V704 HydrophobicContact CD1-CG2 4.31Å
389	S	90.4	Very high	81.4	Confident	68 Å²	68	66.1 Å²	66.1	48%	0.476	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.8	170.2	177.5	0	0	0	0	111.5	A391	S389-A391 VanDerWaalsContact C-N 3.32Å; S389-A391 PolarHBondContact OG-N 3.35Å; S389-A391 PolarHBondContact OG-O 3.02Å
390	Y	88.1	Confident	81.7	Confident	1 Å²	1	67.8 Å²	67.8	0%	0.004	39%	0.387	C	S	.	.	S	Bend	trans	-70.2	-31.9	169.7	-172	-119.3	0	0	0	112.2	S392 S399 V401 I415 G417 T419 K421 K423 G700	Y390-S392 PolarHBondContact O-N 3.37Å; Y390-S399 WeakPolarHBondContact CD1-O 3.46Å; Y390-V401 HydrophobicContact CD1-CG2 3.72Å; Y390-V401 HydrophobicContact CD2-CG2 3.98Å; Y390-V401 HydrophobicContact CE1-CG2 4.32Å; Y390-V401 HydrophobicContact CG-CG2 3.52Å; Y390-I415 HydrophobicContact CD2-CB 4.31Å; Y390-I415 HydrophobicContact CD2-CG2 3.48Å; Y390-I415 VanDerWaalsContact CD2-CG2 3.48Å; Y390-I415 HydrophobicContact CE2-CB 4.27Å; Y390-I415 HydrophobicContact CE2-CG2 3.62Å; Y390-I415 HydrophobicContact CG-CG2 4.36Å; Y390-G417 PolarHBondContact OH-N 2.91Å; Y390-T419 HydrophobicContact CD1-CG2 4.03Å; Y390-T419 HydrophobicContact CE1-CG2 3.66Å; Y390-T419 WeakPolarHBondContact CE1-OG1 3.35Å; Y390-T419 PolarHBondContact OH-OG1 2.81Å; Y390-K421 PolarHBondContact OH-O 3.29Å; Y390-K423 HydrophobicContact CD2-CD 4.27Å; Y390-K423 HydrophobicContact CE2-CD 4.34Å; Y390-K423 PolarHBondContact O-NZ 3.27Å; Y390-G700 WeakPolarHBondContact CB-O 3.18Å; Y390-G700 PolarHBondContact N-O 3.17Å
391	A	81.9	Confident	82.2	Confident	32 Å²	32	63.7 Å²	63.7	26%	0.264	37%	0.365	S	S	.	.			trans	-75.6	118.7	177.4	0	0	0	0	0	111.1	S389	S389-A391 VanDerWaalsContact C-N 3.32Å; S389-A391 PolarHBondContact OG-N 3.35Å; S389-A391 PolarHBondContact OG-O 3.02Å
392	S	62.8	Low	82.7	Confident	59 Å²	59	62.5 Å²	62.5	41%	0.413	36%	0.357	S	S	.	.			trans	-84.5	-24.6	169.1	38.4	0	0	0	0	113.2	Y390 K421	Y390-S392 PolarHBondContact O-N 3.37Å; S392-K421 PolarHBondContact OG-NZ 2.58Å
393	D	60.1	Low	82.9	Confident	78 Å²	78	61.6 Å²	61.6	42%	0.417	35%	0.352	S	S	.	.			trans	-130.7	123.3	-163.1	-52.9	-87.8	0	0	0	111.2	Y395 N396	D393-Y395 PolarHBondContact O-N 3.43Å; D393-N396 PolarHBondContact O-N 3.4Å
394	L	55.4	Low	83.1	Confident	175 Å²	175	54.7 Å²	54.7	92%	0.916	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.7	-179.9	-70.5	82.5	0	0	0	113.9
395	Y	57.5	Low	83.3	Confident	226 Å²	226	53.4 Å²	53.4	89%	0.886	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.5	-177.8	-67.3	-80.8	0	0	0	114.2	D393 G397	D393-Y395 PolarHBondContact O-N 3.43Å; Y395-G397 PolarHBondContact O-N 3.03Å
396	N	55.9	Low	83.5	Confident	80 Å²	80	51.7 Å²	51.7	43%	0.428	31%	0.305	S	S	.	.			trans	-82.7	103.9	178.4	-91.1	-26.1	0	0	0	111.3	D393 S398	D393-N396 PolarHBondContact O-N 3.4Å; N396-S398 PolarHBondContact O-N 3.29Å
397	G	68.8	Low	83.7	Confident	91 Å²	91	51.4 Å²	51.4	94%	0.938	30%	0.302	S	S	*	.	S	Bend	trans	-67	8.2	-177.7	0	0	0	0	0	117	Y395	Y395-G397 PolarHBondContact O-N 3.03Å
398	S	86.1	Confident	83.7	Confident	49 Å²	49	53.9 Å²	53.9	34%	0.343	31%	0.305	S	S	.	.			trans	-160.9	132.6	169.1	-168.9	0	0	0	0	111.2	N396	N396-S398 PolarHBondContact O-N 3.29Å
399	S	91.8	Very high	83.8	Confident	18 Å²	18	55.8 Å²	55.8	13%	0.126	31%	0.314	C	S	.	.			trans	-130.6	21.2	-171.1	41.3	0	0	0	0	112.5	Y390 V401 Q699 G700	Y390-S399 WeakPolarHBondContact CD1-O 3.46Å; S399-V401 PolarHBondContact O-N 3.37Å; S399-Q699 WeakPolarHBondContact CB-O 3.25Å; S399-Q699 PolarHBondContact OG-O 3.44Å; S399-G700 WeakPolarHBondContact O-CA 3.31Å; S399-G700 PolarHBondContact O-N 2.62Å
400	I	94.2	Very high	84	Confident	43 Å²	43	52.8 Å²	52.8	22%	0.221	29%	0.293	C	S	.	.			trans	-56.8	118.8	179	-55	164	0	0	0	110.5	V418 F676 S698	I400-V418 HydrophobicContact CB-CG1 4.03Å; I400-V418 HydrophobicContact CB-CG2 3.92Å; I400-V418 HydrophobicContact CG1-CG2 4.46Å; I400-V418 PolarHBondContact O-N 2.95Å; I400-F676 HydrophobicContact CD1-CZ 4.29Å; I400-F676 HydrophobicContact CG2-CE2 4.48Å; I400-F676 HydrophobicContact CG2-CZ 4.25Å; I400-S698 WeakPolarHBondContact CG1-O 3.2Å
401	V	96.6	Very high	84.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	124	165.7	175	0	0	0	0	108.2	Y390 S399 I404 I415 S678 A679 A696 I702	Y390-V401 HydrophobicContact CD1-CG2 3.72Å; Y390-V401 HydrophobicContact CD2-CG2 3.98Å; Y390-V401 HydrophobicContact CE1-CG2 4.32Å; Y390-V401 HydrophobicContact CG-CG2 3.52Å; S399-V401 PolarHBondContact O-N 3.37Å; V401-I404 HydrophobicContact CG1-CD1 4.24Å; V401-I404 HydrophobicContact CG1-CG1 3.77Å; V401-I415 HydrophobicContact CB-CG2 4.3Å; V401-I415 HydrophobicContact CG1-CG2 3.54Å; V401-I415 HydrophobicContact CG2-CG2 3.73Å; V401-S678 VanDerWaalsContact O-CB 3.24Å; V401-S678 WeakPolarHBondContact O-CB 3.03Å; V401-S678 PolarHBondContact O-OG 3.27Å; V401-A679 HydrophobicContact CG1-CB 3.77Å; V401-A696 HydrophobicContact CB-CB 3.82Å; V401-A696 HydrophobicContact CG1-CB 3.99Å; V401-A696 HydrophobicContact CG2-CB 3.93Å; V401-I702 HydrophobicContact CG2-CG1 4.38Å
402	S	97.1	Very high	85	Confident	21 Å²	21	56 Å²	56	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-24.8	179.9	70.8	0	0	0	0	112.9	A416 I450 S451	S402-A416 PolarHBondContact N-O 2.78Å; S402-A416 PolarHBondContact OG-O 2.83Å; S402-I450 PolarHBondContact OG-O 3.36Å; S402-S451 WeakPolarHBondContact CB-O 3.48Å; S402-S451 VanDerWaalsContact OG-C 3.29Å; S402-S451 PolarHBondContact OG-O 2.94Å
403	S	97.9	Very high	86.7	Confident	11 Å²	11	53.1 Å²	53.1	8%	0.077	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	140.1	-174.1	-176.4	0	0	0	0	111.1	A416 I453	S403-A416 PolarHBondContact N-O 2.83Å; S403-A416 PolarHBondContact O-N 3.1Å; S403-I453 VanDerWaalsContact OG-CG1 3.23Å; S403-I453 WeakPolarHBondContact OG-CG1 3.48Å; S403-I453 PolarHBondContact OG-N 3.17Å; S403-I453 VanDerWaalsContact OG-N 3.15Å
404	I	98.2	Very high	88.5	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.9	172	-55.5	164.9	0	0	0	104.6	V401 A414 I415 A679 C681 I694 A696	V401-I404 HydrophobicContact CG1-CD1 4.24Å; V401-I404 HydrophobicContact CG1-CG1 3.77Å; I404-A414 WeakPolarHBondContact CA-O 3.27Å; I404-I415 HydrophobicContact CG1-CG1 4.26Å; I404-I415 HydrophobicContact CG1-CG2 4.43Å; I404-I415 HydrophobicContact CG2-CG1 4.35Å; I404-A679 HydrophobicContact CD1-CB 3.92Å; I404-A679 HydrophobicContact CG1-CB 3.9Å; I404-C681 HydrophobicContact CB-CB 4.15Å; I404-C681 HydrophobicContact CG2-CB 4.07Å; I404-C681 WeakPolarHBondContact O-CB 3.41Å; I404-I694 HydrophobicContact CD1-CG2 4.02Å; I404-I694 HydrophobicContact CG2-CB 4.35Å; I404-I694 HydrophobicContact CG2-CG2 4.36Å; I404-A696 HydrophobicContact CD1-CB 3.8Å
405	E	97.8	Very high	90.5	Very high	32 Å²	32	41.1 Å²	41.1	15%	0.15	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.8	167.5	-62.6	-69.1	-171.3	0	0	109.1	A414 I453 W455 K583 C681	E405-A414 PolarHBondContact N-O 2.91Å; E405-A414 PolarHBondContact O-N 3.03Å; E405-I453 WeakPolarHBondContact CG-O 3.17Å; E405-W455 PolarHBondContact O-NE1 2.92Å; E405-W455 VanDerWaalsContact O-NE1 3.14Å; E405-K583 IonicContact OE1-NZ 3.17Å; E405-K583 PolarHBondContact OE1-NZ 3.14Å; E405-K583 IonicContact OE2-NZ 2.73Å; E405-C681 PolarHBondContact OE2-SG 3Å
406	F	97.1	Very high	92.4	Very high	18 Å²	18	30.3 Å²	30.3	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	153.7	172.3	-81.9	-88.3	0	0	0	111.6	C410 Y412 F413 Y427 R683 I694	F406-C410 HydrophobicContact CD1-CB 4.13Å; F406-Y412 WeakPolarHBondContact CA-O 3.27Å; F406-Y412 WeakPolarHBondContact CD1-O 3.34Å; F406-F413 HydrophobicContact CD1-CB 3.88Å; F406-F413 HydrophobicContact CE1-CB 3.96Å; F406-F413 HydrophobicContact CE1-CD1 4.1Å; F406-F413 HydrophobicContact CE1-CG 4.45Å; F406-F413 HydrophobicContact CG-CB 4.22Å; F406-F413 HydrophobicContact CZ-CB 4.35Å; F406-F413 HydrophobicContact CZ-CD1 4.47Å; F406-Y427 AromaticContact CE1-CD2 3.74Å; F406-Y427 HydrophobicContact CE1-CD2 3.74Å; F406-Y427 HydrophobicContact CE1-CE2 4.49Å; F406-Y427 HydrophobicContact CE1-CG 4.22Å; F406-Y427 AromaticContact CZ-CD2 3.93Å; F406-Y427 HydrophobicContact CZ-CD2 3.93Å; F406-Y427 HydrophobicContact CZ-CE2 4.32Å; F406-R683 HydrophobicContact CD1-CG 4.1Å; F406-R683 HydrophobicContact CD2-CB 4.17Å; F406-R683 HydrophobicContact CD2-CG 4.41Å; F406-R683 HydrophobicContact CE1-CB 4.13Å; F406-R683 HydrophobicContact CE1-CG 3.66Å; F406-R683 HydrophobicContact CE2-CB 3.56Å; F406-R683 HydrophobicContact CE2-CG 4.01Å; F406-R683 HydrophobicContact CG-CG 4.45Å; F406-R683 HydrophobicContact CZ-CB 3.53Å; F406-R683 HydrophobicContact CZ-CG 3.61Å; F406-I694 HydrophobicContact CE1-CD1 4.27Å; F406-I694 HydrophobicContact CE2-CD1 3.83Å; F406-I694 HydrophobicContact CE2-CG1 3.92Å; F406-I694 HydrophobicContact CZ-CD1 3.44Å; F406-I694 VanDerWaalsContact CZ-CD1 3.44Å; F406-I694 HydrophobicContact CZ-CG1 3.83Å
407	D	96.4	Very high	94.3	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	16%	0.158	C	C	.	.			trans	-67	171.4	165.5	94.2	-77.2	0	0	0	111.3	D409 C410 D411 Y412 W455 K460	D407-D409 PolarHBondContact O-N 3.44Å; D407-D409 PolarHBondContact OD2-N 2.86Å; D407-C410 PolarHBondContact O-N 3.38Å; D407-C410 VanDerWaalsContact O-N 3.15Å; D407-C410 WeakPolarHBondContact OD1-CA 3.15Å; D407-C410 PolarHBondContact OD1-N 3.24Å; D407-C410 VanDerWaalsContact OD1-N 3.13Å; D407-D411 PolarHBondContact OD1-N 3.02Å; D407-Y412 PolarHBondContact N-O 3.13Å; D407-Y412 PolarHBondContact OD1-N 3.08Å; D407-W455 HydrophobicContact CB-CD2 4Å; D407-W455 HydrophobicContact CB-CE3 4.25Å; D407-W455 HydrophobicContact CB-CG 4.34Å; D407-W455 HydrophobicContact CB-CZ2 4.41Å; D407-K460 VanDerWaalsContact OD2-CE 3.24Å; D407-K460 WeakPolarHBondContact OD2-CE 3.42Å; D407-K460 WeakPolarHBondContact OD2-CG 3.42Å
408	R	92.6	Very high	95.6	Very high	116 Å²	116	23 Å²	23	44%	0.438	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.1	-179.1	-172.2	-162.1	71.7	-176.9	1.4	113.4	S457 Y458	R408-S457 WeakPolarHBondContact CD-O 3.47Å; R408-S457 WeakPolarHBondContact CG-O 3.44Å; R408-Y458 PolarHBondContact NH1-O 3.47Å
409	D	93.2	Very high	95.9	Very high	46 Å²	46	21.8 Å²	21.8	25%	0.246	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-6.9	-174.1	-60.5	-19.2	0	0	0	112.5	D407 D411 K460	D407-D409 PolarHBondContact O-N 3.44Å; D407-D409 PolarHBondContact OD2-N 2.86Å; D409-D411 PolarHBondContact O-N 3.44Å; D409-K460 WeakPolarHBondContact OD2-CD 3.32Å; D409-K460 VanDerWaalsContact OD2-CE 3.3Å; D409-K460 WeakPolarHBondContact OD2-CE 3.43Å; D409-K460 IonicContact OD2-NZ 2.75Å; D409-K460 PolarHBondContact OD2-NZ 2.9Å
410	C	94.4	Very high	96.1	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.034	12%	0.121	C	C	.	.	S	Bend	trans	60.9	24.7	-172.6	-71.8	0	0	0	0	114.6	F406 D407 R683 L685	F406-C410 HydrophobicContact CD1-CB 4.13Å; D407-C410 PolarHBondContact O-N 3.38Å; D407-C410 VanDerWaalsContact O-N 3.15Å; D407-C410 WeakPolarHBondContact OD1-CA 3.15Å; D407-C410 PolarHBondContact OD1-N 3.24Å; D407-C410 VanDerWaalsContact OD1-N 3.13Å; C410-R683 HydrophobicContact CB-CG 3.71Å; C410-R683 VanDerWaalsContact O-CZ 3.28Å; C410-R683 PolarHBondContact O-NE 2.87Å; C410-R683 PolarHBondContact O-NH2 2.89Å; C410-L685 HydrophobicContact CB-CD2 4.07Å
411	D	94.6	Very high	96.1	Very high	59 Å²	59	25.1 Å²	25.1	32%	0.316	12%	0.119	S	C	.	.	S	Bend	trans	-83.2	-32.5	172.9	-65.1	-24.9	0	0	0	111.2	D407 D409 Y427 K460	D407-D411 PolarHBondContact OD1-N 3.02Å; D409-D411 PolarHBondContact O-N 3.44Å; D411-Y427 WeakPolarHBondContact O-CB 3.48Å; D411-Y427 PolarHBondContact O-N 3.15Å; D411-K460 IonicContact OD2-NZ 2.71Å; D411-K460 PolarHBondContact OD2-NZ 2.92Å
412	Y	96.9	Very high	96.2	Very high	41 Å²	41	25.1 Å²	25.1	16%	0.161	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.3	-179.3	-62.2	-90.4	0	0	0	111.1	F406 D407 V424 Y425 E426 E441 F478	F406-Y412 WeakPolarHBondContact CA-O 3.27Å; F406-Y412 WeakPolarHBondContact CD1-O 3.34Å; D407-Y412 PolarHBondContact N-O 3.13Å; D407-Y412 PolarHBondContact OD1-N 3.08Å; Y412-V424 HydrophobicContact CD1-CG1 4.12Å; Y412-V424 HydrophobicContact CG-CG1 4.46Å; Y412-Y425 CarbonylContact C-O 3.51Å; Y412-Y425 VanDerWaalsContact CA-O 3.23Å; Y412-Y425 WeakPolarHBondContact CA-O 3.44Å; Y412-E426 HydrophobicContact CD1-CB 3.95Å; Y412-E426 HydrophobicContact CD1-CG 4.41Å; Y412-E426 HydrophobicContact CE1-CB 3.62Å; Y412-E426 HydrophobicContact CE1-CG 3.89Å; Y412-E426 PolarHBondContact OH-OE1 3.06Å; Y412-E426 VanDerWaalsContact OH-OE1 3.1Å; Y412-E441 HydrophobicContact CE1-CG 4.42Å; Y412-F478 AromaticContact CD1-CE1 3.89Å; Y412-F478 HydrophobicContact CD1-CE1 3.89Å; Y412-F478 AromaticContact CD2-CE1 3.87Å; Y412-F478 HydrophobicContact CD2-CE1 3.87Å; Y412-F478 AromaticContact CD2-CZ 3.79Å; Y412-F478 HydrophobicContact CD2-CZ 3.79Å; Y412-F478 HydrophobicContact CE1-CE1 4.01Å; Y412-F478 AromaticContact CE2-CE1 3.98Å; Y412-F478 HydrophobicContact CE2-CE1 3.98Å; Y412-F478 HydrophobicContact CE2-CZ 4.09Å; Y412-F478 AromaticContact CG-CE1 3.87Å; Y412-F478 HydrophobicContact CG-CE1 3.87Å; Y412-F478 HydrophobicContact CG-CZ 4.08Å
413	F	97.6	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.8	166.5	61.4	-90.7	0	0	0	110.8	L388 F406 I415 Y425 Y427 V430 I694	L388-F413 HydrophobicContact CD2-CZ 4.13Å; F406-F413 HydrophobicContact CD1-CB 3.88Å; F406-F413 HydrophobicContact CE1-CB 3.96Å; F406-F413 HydrophobicContact CE1-CD1 4.1Å; F406-F413 HydrophobicContact CE1-CG 4.45Å; F406-F413 HydrophobicContact CG-CB 4.22Å; F406-F413 HydrophobicContact CZ-CB 4.35Å; F406-F413 HydrophobicContact CZ-CD1 4.47Å; F413-I415 HydrophobicContact CD2-CD1 3.88Å; F413-I415 HydrophobicContact CD2-CG1 3.8Å; F413-I415 HydrophobicContact CE2-CD1 3.61Å; F413-I415 HydrophobicContact CE2-CG1 4.02Å; F413-Y425 HydrophobicContact CD2-CD2 4.4Å; F413-Y425 AromaticContact CE2-CD2 3.76Å; F413-Y425 HydrophobicContact CE2-CD2 3.76Å; F413-Y425 AromaticContact CE2-CG 3.91Å; F413-Y425 HydrophobicContact CE2-CG 3.91Å; F413-Y425 VanDerWaalsContact CZ-CB 3.46Å; F413-Y425 HydrophobicContact CZ-CD2 4.33Å; F413-Y425 HydrophobicContact CZ-CG 4.02Å; F413-Y425 PolarHBondContact N-O 2.81Å; F413-Y425 PolarHBondContact O-N 2.8Å; F413-Y427 HydrophobicContact CD1-CD2 4.4Å; F413-Y427 HydrophobicContact CE1-CD2 4.46Å; F413-V430 HydrophobicContact CE1-CB 4.3Å; F413-V430 HydrophobicContact CE1-CG1 4.27Å; F413-V430 HydrophobicContact CE1-CG2 4.27Å; F413-V430 HydrophobicContact CZ-CB 4.38Å; F413-V430 HydrophobicContact CZ-CG1 4.08Å; F413-V430 HydrophobicContact CZ-CG2 4.06Å; F413-I694 HydrophobicContact CB-CD1 4.15Å; F413-I694 HydrophobicContact CD1-CD1 3.54Å; F413-I694 HydrophobicContact CD2-CD1 3.84Å; F413-I694 HydrophobicContact CE1-CD1 3.79Å; F413-I694 HydrophobicContact CE2-CD1 4.08Å; F413-I694 HydrophobicContact CG-CD1 3.57Å; F413-I694 HydrophobicContact CZ-CD1 4.05Å
414	A	98.3	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144.5	173.5	0	0	0	0	0	110.1	I404 E405 I422 K423 V424 I453 W455 L463	I404-A414 WeakPolarHBondContact CA-O 3.27Å; E405-A414 PolarHBondContact N-O 2.91Å; E405-A414 PolarHBondContact O-N 3.03Å; A414-I422 HydrophobicContact CB-CG2 4.34Å; A414-K423 CarbonylContact C-O 3.59Å; A414-K423 WeakPolarHBondContact CA-O 3.34Å; A414-V424 HydrophobicContact CB-CG2 4.32Å; A414-I453 HydrophobicContact CB-CD1 3.56Å; A414-I453 VanDerWaalsContact O-CD1 3.32Å; A414-I453 WeakPolarHBondContact O-CD1 3.46Å; A414-W455 HydrophobicContact CB-CZ2 3.8Å; A414-L463 HydrophobicContact CB-CD2 3.95Å
415	I	97.9	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.5	177.2	-56.5	-167.5	0	0	0	109.2	Y390 V401 I404 F413 I422 K423 Y425 I702	Y390-I415 HydrophobicContact CD2-CB 4.31Å; Y390-I415 HydrophobicContact CD2-CG2 3.48Å; Y390-I415 VanDerWaalsContact CD2-CG2 3.48Å; Y390-I415 HydrophobicContact CE2-CB 4.27Å; Y390-I415 HydrophobicContact CE2-CG2 3.62Å; Y390-I415 HydrophobicContact CG-CG2 4.36Å; V401-I415 HydrophobicContact CB-CG2 4.3Å; V401-I415 HydrophobicContact CG1-CG2 3.54Å; V401-I415 HydrophobicContact CG2-CG2 3.73Å; I404-I415 HydrophobicContact CG1-CG1 4.26Å; I404-I415 HydrophobicContact CG1-CG2 4.43Å; I404-I415 HydrophobicContact CG2-CG1 4.35Å; F413-I415 HydrophobicContact CD2-CD1 3.88Å; F413-I415 HydrophobicContact CD2-CG1 3.8Å; F413-I415 HydrophobicContact CE2-CD1 3.61Å; F413-I415 HydrophobicContact CE2-CG1 4.02Å; I415-I422 WeakPolarHBondContact O-CA 3.41Å; I415-K423 PolarHBondContact N-O 2.92Å; I415-K423 PolarHBondContact O-N 2.81Å; I415-Y425 HydrophobicContact CD1-CD2 4.46Å; I415-Y425 HydrophobicContact CD1-CE2 4.47Å; I415-I702 HydrophobicContact CD1-CB 4.49Å; I415-I702 HydrophobicContact CD1-CD1 3.48Å; I415-I702 VanDerWaalsContact CD1-CD1 3.48Å; I415-I702 HydrophobicContact CD1-CG1 3.88Å; I415-I702 HydrophobicContact CD1-CG2 3.88Å; I415-I702 HydrophobicContact CG2-CD1 4.45Å
416	A	97.6	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.6	-179.2	0	0	0	0	0	112.9	S402 S403 I422 I450 I453	S402-A416 PolarHBondContact N-O 2.78Å; S402-A416 PolarHBondContact OG-O 2.83Å; S403-A416 PolarHBondContact N-O 2.83Å; S403-A416 PolarHBondContact O-N 3.1Å; A416-I422 HydrophobicContact CB-CG1 4.13Å; A416-I422 HydrophobicContact CB-CG2 4.5Å; A416-I450 HydrophobicContact CB-CB 4.08Å; A416-I450 HydrophobicContact CB-CD1 4.25Å; A416-I450 HydrophobicContact CB-CG2 3.64Å; A416-I453 HydrophobicContact CB-CD1 4.21Å; A416-I453 HydrophobicContact CB-CG1 4.27Å; A416-I453 HydrophobicContact CB-CG2 3.72Å
417	G	95.7	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-148.9	179.1	0	0	0	0	0	115.4	Y390 T419 K420 I450	Y390-G417 PolarHBondContact OH-N 2.91Å; G417-T419 VanDerWaalsContact C-N 3.26Å; G417-T419 PolarHBondContact O-N 2.83Å; G417-K420 PolarHBondContact O-N 2.88Å; G417-I450 PolarHBondContact O-N 2.88Å
418	V	94.8	Very high	95.7	Very high	17 Å²	17	28.5 Å²	28.5	10%	0.103	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.2	-163.9	-56.4	0	0	0	0	115.6	I400 K420 K449	I400-V418 HydrophobicContact CB-CG1 4.03Å; I400-V418 HydrophobicContact CB-CG2 3.92Å; I400-V418 HydrophobicContact CG1-CG2 4.46Å; I400-V418 PolarHBondContact O-N 2.95Å; V418-K420 PolarHBondContact O-N 2.9Å; V418-K449 HydrophobicContact CB-CD 3.96Å; V418-K449 HydrophobicContact CB-CG 4.42Å; V418-K449 HydrophobicContact CG1-CD 4.21Å
419	T	93.4	Very high	95.8	Very high	24 Å²	24	25.9 Å²	25.9	15%	0.147	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.1	174.7	58.2	0	0	0	0	113.5	Y390 G417 K421	Y390-T419 HydrophobicContact CD1-CG2 4.03Å; Y390-T419 HydrophobicContact CE1-CG2 3.66Å; Y390-T419 WeakPolarHBondContact CE1-OG1 3.35Å; Y390-T419 PolarHBondContact OH-OG1 2.81Å; G417-T419 VanDerWaalsContact C-N 3.26Å; G417-T419 PolarHBondContact O-N 2.83Å; T419-K421 PolarHBondContact O-N 3.12Å
420	K	95.2	Very high	95.8	Very high	90 Å²	90	23.9 Å²	23.9	39%	0.391	12%	0.119	S	C	.	.	S	Bend	trans	65.2	14.3	-175.8	-42	-174	172.5	-170.2	0	115.5	G417 V418 C446 N447 S448	G417-K420 PolarHBondContact O-N 2.88Å; V418-K420 PolarHBondContact O-N 2.9Å; K420-C446 WeakPolarHBondContact O-CB 3.31Å; K420-C446 PolarHBondContact O-N 2.89Å; K420-N447 WeakPolarHBondContact CD-O 3.12Å; K420-N447 WeakPolarHBondContact CE-O 3.18Å; K420-N447 PolarHBondContact NZ-O 3.15Å; K420-S448 WeakPolarHBondContact CB-O 3.34Å; K420-S448 WeakPolarHBondContact CG-O 3.32Å
421	K	95	Very high	95.6	Very high	40 Å²	40	26.5 Å²	26.5	17%	0.174	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	152.2	176.4	-68.3	170.6	160.5	-150.7	0	110.4	Y390 S392 T419 E443 M444 I450	Y390-K421 PolarHBondContact OH-O 3.29Å; S392-K421 PolarHBondContact OG-NZ 2.58Å; T419-K421 PolarHBondContact O-N 3.12Å; K421-E443 HydrophobicContact CB-CG 4.3Å; K421-E443 HydrophobicContact CD-CG 4.3Å; K421-E443 WeakPolarHBondContact CD-OE2 3.28Å; K421-E443 WeakPolarHBondContact CE-OE1 3.28Å; K421-E443 HydrophobicContact CG-CG 4.32Å; K421-E443 IonicContact NZ-OE1 2.68Å; K421-E443 PolarHBondContact NZ-OE1 2.62Å; K421-E443 IonicContact NZ-OE2 3.94Å; K421-E443 PolarHBondContact NZ-OE2 2.9Å; K421-M444 CarbonylContact C-O 3.58Å; K421-M444 WeakPolarHBondContact CA-O 3.43Å; K421-I450 WeakPolarHBondContact O-CD1 3.37Å
422	I	97.5	Very high	95.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.3	162.1	-53	172	0	0	0	105.8	A414 I415 A416 E443 M444 I450 I453 L463	A414-I422 HydrophobicContact CB-CG2 4.34Å; I415-I422 WeakPolarHBondContact O-CA 3.41Å; A416-I422 HydrophobicContact CB-CG1 4.13Å; A416-I422 HydrophobicContact CB-CG2 4.5Å; I422-E443 WeakPolarHBondContact O-CA 3.31Å; I422-M444 HydrophobicContact CB-CB 4.29Å; I422-M444 HydrophobicContact CB-CE 4.23Å; I422-M444 HydrophobicContact CG2-CE 3.99Å; I422-M444 PolarHBondContact N-O 3.2Å; I422-M444 PolarHBondContact O-N 2.9Å; I422-I450 HydrophobicContact CG1-CD1 3.69Å; I422-I450 HydrophobicContact CG1-CG1 4.35Å; I422-I453 HydrophobicContact CD1-CG2 4.27Å; I422-L463 HydrophobicContact CG2-CD2 3.94Å
423	K	96.9	Very high	94.3	Very high	9 Å²	9	32.6 Å²	32.6	4%	0.039	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.4	179.6	-71.8	179.6	169.6	-179.6	0	109.3	Y390 A414 I415 Y425 P440 E443	Y390-K423 HydrophobicContact CD2-CD 4.27Å; Y390-K423 HydrophobicContact CE2-CD 4.34Å; Y390-K423 PolarHBondContact O-NZ 3.27Å; A414-K423 CarbonylContact C-O 3.59Å; A414-K423 WeakPolarHBondContact CA-O 3.34Å; I415-K423 PolarHBondContact N-O 2.92Å; I415-K423 PolarHBondContact O-N 2.81Å; K423-Y425 HydrophobicContact CB-CD2 4.26Å; K423-Y425 HydrophobicContact CB-CE2 3.63Å; K423-Y425 HydrophobicContact CD-CE2 4.21Å; K423-P440 HydrophobicContact CB-CB 4.01Å; K423-P440 HydrophobicContact CB-CG 4.49Å; K423-P440 HydrophobicContact CD-CG 4.38Å; K423-P440 HydrophobicContact CG-CB 4.3Å; K423-P440 HydrophobicContact CG-CG 4.24Å; K423-E443 WeakPolarHBondContact CE-OE2 3.34Å; K423-E443 HydrophobicContact CG-CG 4.07Å
424	V	97.8	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.4	174.6	-177.4	0	0	0	0	108.6	Y412 A414 P440 E441 N442 M444 W455 F478	Y412-V424 HydrophobicContact CD1-CG1 4.12Å; Y412-V424 HydrophobicContact CG-CG1 4.46Å; A414-V424 HydrophobicContact CB-CG2 4.32Å; V424-P440 CarbonylContact O-C 3.55Å; V424-P440 VanDerWaalsContact O-CA 3.28Å; V424-P440 WeakPolarHBondContact O-CA 3.48Å; V424-P440 VanDerWaalsContact O-CB 3.25Å; V424-P440 WeakPolarHBondContact O-CB 3.35Å; V424-E441 PolarHBondContact O-N 3.06Å; V424-N442 HydrophobicContact CB-CB 4.45Å; V424-N442 PolarHBondContact N-O 2.85Å; V424-M444 HydrophobicContact CG2-CE 3.72Å; V424-W455 HydrophobicContact CG1-CH2 4.31Å; V424-W455 HydrophobicContact CG1-CZ2 4.2Å; V424-W455 HydrophobicContact CG2-CH2 4.38Å; V424-W455 HydrophobicContact CG2-CZ2 4.27Å; V424-F478 HydrophobicContact CG1-CE1 4.45Å
425	Y	96.8	Very high	91.7	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141	179.8	-70.8	-87.2	0	0	0	109.9	L388 Y412 F413 I415 K423 V430 H438 P440	L388-Y425 HydrophobicContact CD2-CD1 4.02Å; L388-Y425 HydrophobicContact CD2-CE1 3.95Å; L388-Y425 HydrophobicContact CD2-CG 4.35Å; Y412-Y425 CarbonylContact C-O 3.51Å; Y412-Y425 VanDerWaalsContact CA-O 3.23Å; Y412-Y425 WeakPolarHBondContact CA-O 3.44Å; F413-Y425 HydrophobicContact CD2-CD2 4.4Å; F413-Y425 AromaticContact CE2-CD2 3.76Å; F413-Y425 HydrophobicContact CE2-CD2 3.76Å; F413-Y425 AromaticContact CE2-CG 3.91Å; F413-Y425 HydrophobicContact CE2-CG 3.91Å; F413-Y425 VanDerWaalsContact CZ-CB 3.46Å; F413-Y425 HydrophobicContact CZ-CD2 4.33Å; F413-Y425 HydrophobicContact CZ-CG 4.02Å; F413-Y425 PolarHBondContact N-O 2.81Å; F413-Y425 PolarHBondContact O-N 2.8Å; I415-Y425 HydrophobicContact CD1-CD2 4.46Å; I415-Y425 HydrophobicContact CD1-CE2 4.47Å; K423-Y425 HydrophobicContact CB-CD2 4.26Å; K423-Y425 HydrophobicContact CB-CE2 3.63Å; K423-Y425 HydrophobicContact CD-CE2 4.21Å; Y425-V430 HydrophobicContact CD1-CG2 4.13Å; Y425-H438 HydrophobicContact CE1-CB 4.05Å; Y425-P440 HydrophobicContact CD1-CB 4.24Å; Y425-P440 HydrophobicContact CD2-CB 4.49Å; Y425-P440 HydrophobicContact CE1-CB 3.94Å; Y425-P440 HydrophobicContact CE2-CB 4.21Å
426	E	96.1	Very high	90.3	Very high	68 Å²	68	49.4 Å²	49.4	32%	0.318	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.1	167	-171.6	176.4	-112.8	0	0	110	Y412 T429 V430	Y412-E426 HydrophobicContact CD1-CB 3.95Å; Y412-E426 HydrophobicContact CD1-CG 4.41Å; Y412-E426 HydrophobicContact CE1-CB 3.62Å; Y412-E426 HydrophobicContact CE1-CG 3.89Å; Y412-E426 PolarHBondContact OH-OE1 3.06Å; Y412-E426 VanDerWaalsContact OH-OE1 3.1Å; E426-T429 WeakPolarHBondContact OE2-CB 3.34Å; E426-T429 PolarHBondContact OE2-OG1 2.88Å; E426-V430 WeakPolarHBondContact O-CB 3.48Å; E426-V430 VanDerWaalsContact O-CG2 3.24Å; E426-V430 WeakPolarHBondContact O-CG2 3.29Å; E426-V430 PolarHBondContact O-N 2.93Å
427	Y	94.9	Very high	89.2	Confident	8 Å²	8	54.6 Å²	54.6	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-68.7	-47.5	-173.7	173	-93	0	0	0	112.6	F406 D411 F413 V430 I431 R683 V692 V704	F406-Y427 AromaticContact CE1-CD2 3.74Å; F406-Y427 HydrophobicContact CE1-CD2 3.74Å; F406-Y427 HydrophobicContact CE1-CE2 4.49Å; F406-Y427 HydrophobicContact CE1-CG 4.22Å; F406-Y427 AromaticContact CZ-CD2 3.93Å; F406-Y427 HydrophobicContact CZ-CD2 3.93Å; F406-Y427 HydrophobicContact CZ-CE2 4.32Å; D411-Y427 WeakPolarHBondContact O-CB 3.48Å; D411-Y427 PolarHBondContact O-N 3.15Å; F413-Y427 HydrophobicContact CD1-CD2 4.4Å; F413-Y427 HydrophobicContact CE1-CD2 4.46Å; Y427-V430 PolarHBondContact O-N 2.9Å; Y427-I431 HydrophobicContact CD1-CD1 4.4Å; Y427-I431 HydrophobicContact CE1-CD1 3.6Å; Y427-I431 HydrophobicContact CE1-CG1 4.2Å; Y427-I431 HydrophobicContact CE1-CG2 4.42Å; Y427-I431 HydrophobicContact CE2-CG2 4.08Å; Y427-I431 PolarHBondContact O-N 3.14Å; Y427-R683 VanDerWaalsContact CE1-CZ 3.43Å; Y427-V692 HydrophobicContact CE2-CG1 4.23Å; Y427-V704 HydrophobicContact CE2-CG1 3.96Å
428	D	93.3	Very high	88.7	Confident	72 Å²	72	55.9 Å²	55.9	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-41.8	-173.6	-80.5	-17.9	0	0	0	112.1	V430 I431 Q432	D428-V430 VanDerWaalsContact C-N 3.32Å; D428-V430 PolarHBondContact O-N 2.88Å; D428-I431 WeakPolarHBondContact O-CG1 3.44Å; D428-I431 PolarHBondContact O-N 3Å; D428-Q432 WeakPolarHBondContact O-CB 3.24Å; D428-Q432 VanDerWaalsContact O-CG 3.27Å; D428-Q432 WeakPolarHBondContact O-CG 3.42Å; D428-Q432 PolarHBondContact O-N 2.86Å; D428-Q432 PolarHBondContact O-NE2 2.92Å
429	T	93.1	Very high	88.5	Confident	61 Å²	61	63.9 Å²	63.9	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-57.9	-43.2	171.6	-70.8	0	0	0	0	111.3	E426 I431 Q432 D433	E426-T429 WeakPolarHBondContact OE2-CB 3.34Å; E426-T429 PolarHBondContact OE2-OG1 2.88Å; T429-I431 VanDerWaalsContact C-N 3.35Å; T429-I431 PolarHBondContact O-N 3.26Å; T429-Q432 PolarHBondContact O-N 2.65Å; T429-D433 WeakPolarHBondContact O-CB 3.41Å; T429-D433 PolarHBondContact O-N 3.03Å
430	V	93.6	Very high	88.4	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-31.9	179.2	162	0	0	0	0	114	A386 L388 F413 Y425 E426 Y427 D428 V704	A386-V430 HydrophobicContact CB-CG1 3.84Å; A386-V430 VanDerWaalsContact CB-O 3.25Å; A386-V430 WeakPolarHBondContact CB-O 3.46Å; L388-V430 HydrophobicContact CD1-CG1 3.85Å; L388-V430 HydrophobicContact CD2-CG1 3.92Å; L388-V430 HydrophobicContact CD2-CG2 3.9Å; L388-V430 HydrophobicContact CG-CG1 4.2Å; F413-V430 HydrophobicContact CE1-CB 4.3Å; F413-V430 HydrophobicContact CE1-CG1 4.27Å; F413-V430 HydrophobicContact CE1-CG2 4.27Å; F413-V430 HydrophobicContact CZ-CB 4.38Å; F413-V430 HydrophobicContact CZ-CG1 4.08Å; F413-V430 HydrophobicContact CZ-CG2 4.06Å; Y425-V430 HydrophobicContact CD1-CG2 4.13Å; E426-V430 WeakPolarHBondContact O-CB 3.48Å; E426-V430 VanDerWaalsContact O-CG2 3.24Å; E426-V430 WeakPolarHBondContact O-CG2 3.29Å; E426-V430 PolarHBondContact O-N 2.93Å; Y427-V430 PolarHBondContact O-N 2.9Å; D428-V430 VanDerWaalsContact C-N 3.32Å; D428-V430 PolarHBondContact O-N 2.88Å; V430-V704 HydrophobicContact CG1-CG2 4.1Å
431	I	91.4	Very high	88.4	Confident	60 Å²	60	66.5 Å²	66.5	31%	0.308	35%	0.349	S	S	.	.	H	α-helix	trans	-91.9	-17	178.6	63.2	161.5	0	0	0	114.2	L385 Y427 D428 T429 V704	L385-I431 HydrophobicContact CB-CG2 4.21Å; L385-I431 HydrophobicContact CD1-CG2 4.39Å; Y427-I431 HydrophobicContact CD1-CD1 4.4Å; Y427-I431 HydrophobicContact CE1-CD1 3.6Å; Y427-I431 HydrophobicContact CE1-CG1 4.2Å; Y427-I431 HydrophobicContact CE1-CG2 4.42Å; Y427-I431 HydrophobicContact CE2-CG2 4.08Å; Y427-I431 PolarHBondContact O-N 3.14Å; D428-I431 WeakPolarHBondContact O-CG1 3.44Å; D428-I431 PolarHBondContact O-N 3Å; T429-I431 VanDerWaalsContact C-N 3.35Å; T429-I431 PolarHBondContact O-N 3.26Å; I431-V704 HydrophobicContact CG2-CG1 4.07Å
432	Q	87.3	Confident	88.4	Confident	143 Å²	143	66.1 Å²	66.1	67%	0.668	35%	0.349	S	S	*	.	H	α-helix	trans	-87.4	-41.8	176.2	-71.9	175.8	58.8	0	0	112	D428 T429 A434	D428-Q432 WeakPolarHBondContact O-CB 3.24Å; D428-Q432 VanDerWaalsContact O-CG 3.27Å; D428-Q432 WeakPolarHBondContact O-CG 3.42Å; D428-Q432 PolarHBondContact O-N 2.86Å; D428-Q432 PolarHBondContact O-NE2 2.92Å; T429-Q432 PolarHBondContact O-N 2.65Å; Q432-A434 PolarHBondContact O-N 2.82Å
433	D	76.4	Confident	88.3	Confident	85 Å²	85	69.6 Å²	69.6	46%	0.455	37%	0.365	S	S	.	.			trans	-79.9	105.3	-175.1	-82	-11.8	0	0	0	112.4	T429 V435 H438	T429-D433 WeakPolarHBondContact O-CB 3.41Å; T429-D433 PolarHBondContact O-N 3.03Å; D433-V435 HydrophobicContact CB-CG1 4.07Å; D433-V435 HydrophobicContact CB-CG2 3.94Å; D433-V435 PolarHBondContact O-N 3.41Å; D433-H438 PolarHBondContact O-NE2 3.5Å
434	A	67.1	Low	88.3	Confident	114 Å²	114	69.4 Å²	69.4	94%	0.942	36%	0.364	S	S	*	.			trans	-74.3	55.4	168.1	0	0	0	0	0	111.8	Q432	Q432-A434 PolarHBondContact O-N 2.82Å
435	V	74.3	Confident	88.2	Confident	65 Å²	65	73.3 Å²	73.3	39%	0.394	39%	0.388	S	S	.	.			trans	-105	149.5	-180	-63.2	0	0	0	0	111.7	D433 I437 H438	D433-V435 HydrophobicContact CB-CG1 4.07Å; D433-V435 HydrophobicContact CB-CG2 3.94Å; D433-V435 PolarHBondContact O-N 3.41Å; V435-I437 WeakPolarHBondContact CG2-O 3.45Å; V435-I437 PolarHBondContact O-N 2.78Å; V435-H438 PolarHBondContact O-CE1 3.25Å
436	D	67.4	Low	88.1	Confident	175 Å²	175	73.4 Å²	73.4	94%	0.936	39%	0.389	S	S	*	.	S	Bend	trans	-73	-14.8	174.8	-64.7	-49.6	0	0	0	113.3
437	I	75.9	Confident	88	Confident	108 Å²	108	75 Å²	75	55%	0.554	40%	0.4	S	S	*	.			trans	-140.2	104.9	-173.3	-53.2	178.6	0	0	0	110.5	V435 Y439	V435-I437 WeakPolarHBondContact CG2-O 3.45Å; V435-I437 PolarHBondContact O-N 2.78Å; I437-Y439 HydrophobicContact CB-CE2 4.41Å; I437-Y439 HydrophobicContact CG2-CD2 4.34Å; I437-Y439 HydrophobicContact CG2-CE1 4.45Å; I437-Y439 HydrophobicContact CG2-CE2 3.82Å
438	H	85.3	Confident	88	Confident	27 Å²	27	75.2 Å²	75.2	13%	0.125	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-86.2	119.9	169.8	-58.6	83.2	0	0	0	111	L388 Y425 D433 V435	L388-H438 HydrophobicContact CD2-CB 3.85Å; L388-H438 HydrophobicContact CG-CB 4.24Å; Y425-H438 HydrophobicContact CE1-CB 4.05Å; D433-H438 PolarHBondContact O-NE2 3.5Å; V435-H438 PolarHBondContact O-CE1 3.25Å
439	Y	88.8	Confident	88.2	Confident	186 Å²	186	75.9 Å²	75.9	73%	0.729	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-83.4	139	171.7	-67.5	-88.2	0	0	0	110.3	I437	I437-Y439 HydrophobicContact CB-CE2 4.41Å; I437-Y439 HydrophobicContact CG2-CD2 4.34Å; I437-Y439 HydrophobicContact CG2-CE1 4.45Å; I437-Y439 HydrophobicContact CG2-CE2 3.82Å
440	P	93.3	Very high	88.5	Confident	37 Å²	37	73 Å²	73	24%	0.24	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-75.9	145.8	171.2	32.5	-33.7	0	0	0	110.6	K423 V424 Y425 N442 E443	K423-P440 HydrophobicContact CB-CB 4.01Å; K423-P440 HydrophobicContact CB-CG 4.49Å; K423-P440 HydrophobicContact CD-CG 4.38Å; K423-P440 HydrophobicContact CG-CB 4.3Å; K423-P440 HydrophobicContact CG-CG 4.24Å; V424-P440 CarbonylContact O-C 3.55Å; V424-P440 VanDerWaalsContact O-CA 3.28Å; V424-P440 WeakPolarHBondContact O-CA 3.48Å; V424-P440 VanDerWaalsContact O-CB 3.25Å; V424-P440 WeakPolarHBondContact O-CB 3.35Å; Y425-P440 HydrophobicContact CD1-CB 4.24Å; Y425-P440 HydrophobicContact CD2-CB 4.49Å; Y425-P440 HydrophobicContact CE1-CB 3.94Å; Y425-P440 HydrophobicContact CE2-CB 4.21Å; P440-N442 VanDerWaalsContact C-N 3.29Å; P440-N442 PolarHBondContact O-N 2.87Å; P440-E443 HydrophobicContact CG-CB 4.46Å
441	E	93.8	Very high	88.7	Confident	132 Å²	132	73.2 Å²	73.2	62%	0.617	39%	0.386	S	S	*	.	S	Bend	trans	-64.1	-36.2	173.2	-179.7	61.1	-166.3	0	0	111	Y412 V424	Y412-E441 HydrophobicContact CE1-CG 4.42Å; V424-E441 PolarHBondContact O-N 3.06Å
442	N	95.6	Very high	89	Confident	32 Å²	32	71.2 Å²	71.2	17%	0.171	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	146	173.1	-170.9	19.5	0	0	0	111.8	V424 P440 G477 F478 G480	V424-N442 HydrophobicContact CB-CB 4.45Å; V424-N442 PolarHBondContact N-O 2.85Å; P440-N442 VanDerWaalsContact C-N 3.29Å; P440-N442 PolarHBondContact O-N 2.87Å; N442-G477 PolarHBondContact ND2-O 3.37Å; N442-F478 PolarHBondContact ND2-O 3.5Å; N442-G480 PolarHBondContact ND2-N 3.37Å
443	E	95.6	Very high	89.5	Confident	72 Å²	72	64.4 Å²	64.4	34%	0.336	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110	174.6	-170.9	-178.5	91	0	0	111	K421 I422 K423 P440	K421-E443 HydrophobicContact CB-CG 4.3Å; K421-E443 HydrophobicContact CD-CG 4.3Å; K421-E443 WeakPolarHBondContact CD-OE2 3.28Å; K421-E443 WeakPolarHBondContact CE-OE1 3.28Å; K421-E443 HydrophobicContact CG-CG 4.32Å; K421-E443 IonicContact NZ-OE1 2.68Å; K421-E443 PolarHBondContact NZ-OE1 2.62Å; K421-E443 IonicContact NZ-OE2 3.94Å; K421-E443 PolarHBondContact NZ-OE2 2.9Å; I422-E443 WeakPolarHBondContact O-CA 3.31Å; K423-E443 WeakPolarHBondContact CE-OE2 3.34Å; K423-E443 HydrophobicContact CG-CG 4.07Å; P440-E443 HydrophobicContact CG-CB 4.46Å
444	M	95.7	Very high	90.6	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.3	176	-67	162.6	-82.4	0	0	110.6	K421 I422 V424 L463 W475	K421-M444 CarbonylContact C-O 3.58Å; K421-M444 WeakPolarHBondContact CA-O 3.43Å; I422-M444 HydrophobicContact CB-CB 4.29Å; I422-M444 HydrophobicContact CB-CE 4.23Å; I422-M444 HydrophobicContact CG2-CE 3.99Å; I422-M444 PolarHBondContact N-O 3.2Å; I422-M444 PolarHBondContact O-N 2.9Å; V424-M444 HydrophobicContact CG2-CE 3.72Å; M444-L463 HydrophobicContact CE-CD2 4.12Å; M444-W475 HydrophobicContact CB-CE3 4.06Å; M444-W475 HydrophobicContact CB-CH2 4.18Å; M444-W475 HydrophobicContact CB-CZ3 3.85Å; M444-W475 HydrophobicContact CG-CE3 3.91Å; M444-W475 HydrophobicContact CG-CZ3 4.07Å; M444-W475 HydrophobicContact SD-CB 3.83Å; M444-W475 HydrophobicContact SD-CD2 3.83Å; M444-W475 HydrophobicContact SD-CE3 3.65Å; M444-W475 HydrophobicContact SD-CG 3.95Å; M444-W475 HydrophobicContact SD-CZ3 4.38Å
445	T	95.6	Very high	92	Very high	82 Å²	82	56 Å²	56	50%	0.503	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.9	-180	-63.7	0	0	0	0	112.2	R482	T445-R482 PolarHBondContact O-NH2 2.83Å
446	C	95.1	Very high	93.1	Very high	5 Å²	5	53 Å²	53	3%	0.034	27%	0.266	C	S	.	.			trans	-101.8	157.9	177.7	-62.5	0	0	0	0	111.9	K420 I450 W475	K420-C446 WeakPolarHBondContact O-CB 3.31Å; K420-C446 PolarHBondContact O-N 2.89Å; C446-I450 HydrophobicContact CB-CD1 4.1Å; C446-I450 HydrophobicContact CB-CG1 4.09Å; C446-W475 VanDerWaalsContact SG-CZ2 3.55Å
447	N	93.9	Very high	94.4	Very high	100 Å²	100	46.4 Å²	46.4	54%	0.535	23%	0.233	S	C	.	.	S	Bend	trans	-73.6	-34.9	176.9	-65.3	6.8	0	0	0	111.7	K420	K420-N447 WeakPolarHBondContact CD-O 3.12Å; K420-N447 WeakPolarHBondContact CE-O 3.18Å; K420-N447 PolarHBondContact NZ-O 3.15Å
448	S	96.5	Very high	95.3	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.098	22%	0.223	C	C	.	.	S	Bend	trans	-118.6	177.3	-177.5	-137.8	0	0	0	0	113.4	K420 E469	K420-S448 WeakPolarHBondContact CB-O 3.34Å; K420-S448 WeakPolarHBondContact CG-O 3.32Å; S448-E469 VanDerWaalsContact CB-CD 3.43Å; S448-E469 WeakPolarHBondContact CB-OE1 3.47Å; S448-E469 VanDerWaalsContact OG-CD 3.31Å; S448-E469 PolarHBondContact OG-OE1 3.36Å
449	K	96.9	Very high	95.8	Very high	85 Å²	85	48.7 Å²	48.7	37%	0.37	24%	0.239	S	C	.	.			trans	-68.6	132.6	172.7	-63.3	-173.4	172	-173.5	0	109.2	V418 D467 Y468	V418-K449 HydrophobicContact CB-CD 3.96Å; V418-K449 HydrophobicContact CB-CG 4.42Å; V418-K449 HydrophobicContact CG1-CD 4.21Å; K449-D467 CarbonylContact O-C 3.54Å; K449-D467 WeakPolarHBondContact O-CA 3.35Å; K449-D467 WeakPolarHBondContact O-CB 3.23Å; K449-Y468 HydrophobicContact CB-CD1 3.94Å; K449-Y468 HydrophobicContact CB-CD2 3.94Å; K449-Y468 HydrophobicContact CB-CE1 4.3Å; K449-Y468 HydrophobicContact CB-CE2 4.32Å; K449-Y468 HydrophobicContact CB-CG 3.76Å; K449-Y468 HydrophobicContact CD-CD2 4.21Å; K449-Y468 HydrophobicContact CD-CE2 4.22Å; K449-Y468 WeakPolarHBondContact O-CD1 3.06Å; K449-Y468 PolarHBondContact O-N 3.39Å
450	I	98.1	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	143.6	177.2	-57.5	126.8	0	0	0	108.6	S402 A416 G417 K421 I422 C446 I453 S466	S402-I450 PolarHBondContact OG-O 3.36Å; A416-I450 HydrophobicContact CB-CB 4.08Å; A416-I450 HydrophobicContact CB-CD1 4.25Å; A416-I450 HydrophobicContact CB-CG2 3.64Å; G417-I450 PolarHBondContact O-N 2.88Å; K421-I450 WeakPolarHBondContact O-CD1 3.37Å; I422-I450 HydrophobicContact CG1-CD1 3.69Å; I422-I450 HydrophobicContact CG1-CG1 4.35Å; C446-I450 HydrophobicContact CB-CD1 4.1Å; C446-I450 HydrophobicContact CB-CG1 4.09Å; I450-I453 HydrophobicContact CG2-CG2 4.18Å; I450-S466 WeakPolarHBondContact CG2-O 3.38Å
451	S	97.9	Very high	96.2	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-48.1	175.2	53.1	0	0	0	0	111.5	S402 S466 C493 W494	S402-S451 WeakPolarHBondContact CB-O 3.48Å; S402-S451 VanDerWaalsContact OG-C 3.29Å; S402-S451 PolarHBondContact OG-O 2.94Å; S451-S466 PolarHBondContact N-O 3.45Å; S451-S466 PolarHBondContact OG-O 3.36Å; S451-S466 PolarHBondContact OG-OG 2.87Å; S451-C493 VanDerWaalsContact CB-O 3.28Å; S451-C493 WeakPolarHBondContact CB-O 3.28Å; S451-C493 PolarHBondContact OG-O 2.91Å; S451-W494 WeakPolarHBondContact CB-O 3.39Å; S451-W494 PolarHBondContact OG-O 2.9Å
452	C	98.4	Very high	96.4	Very high	18 Å²	18	38.6 Å²	38.6	12%	0.122	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153	-175.4	-171.9	0	0	0	0	110.9	S465 S466 W494	C452-S465 WeakPolarHBondContact O-CA 3.27Å; C452-S466 WeakPolarHBondContact CB-OG 3.38Å; C452-S466 PolarHBondContact N-OG 2.91Å; C452-S466 PolarHBondContact O-N 3.06Å; C452-S466 PolarHBondContact O-OG 2.9Å; C452-W494 WeakPolarHBondContact CB-O 3.39Å
453	I	98.5	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.1	169.8	47.5	164	0	0	0	109.7	S403 E405 A414 A416 I422 I450 L463 A464	S403-I453 VanDerWaalsContact OG-CG1 3.23Å; S403-I453 WeakPolarHBondContact OG-CG1 3.48Å; S403-I453 PolarHBondContact OG-N 3.17Å; S403-I453 VanDerWaalsContact OG-N 3.15Å; E405-I453 WeakPolarHBondContact CG-O 3.17Å; A414-I453 HydrophobicContact CB-CD1 3.56Å; A414-I453 VanDerWaalsContact O-CD1 3.32Å; A414-I453 WeakPolarHBondContact O-CD1 3.46Å; A416-I453 HydrophobicContact CB-CD1 4.21Å; A416-I453 HydrophobicContact CB-CG1 4.27Å; A416-I453 HydrophobicContact CB-CG2 3.72Å; I422-I453 HydrophobicContact CD1-CG2 4.27Å; I450-I453 HydrophobicContact CG2-CG2 4.18Å; I453-L463 HydrophobicContact CB-CD1 4.09Å; I453-A464 CarbonylContact C-O 3.6Å; I453-A464 WeakPolarHBondContact CA-O 3.46Å
454	S	98.4	Very high	96.6	Very high	7 Å²	7	33.7 Å²	33.7	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	125.7	175.8	-177.5	0	0	0	0	109.7	A464 V496 D497 F498	S454-A464 PolarHBondContact N-O 2.93Å; S454-A464 PolarHBondContact O-N 2.66Å; S454-V496 WeakPolarHBondContact CB-O 3.47Å; S454-D497 PolarHBondContact OG-OD1 2.9Å; S454-F498 WeakPolarHBondContact O-CD2 3.32Å; S454-F498 WeakPolarHBondContact O-CE2 3.45Å; S454-F498 PolarHBondContact OG-N 2.87Å
455	W	98	Very high	96.8	Very high	17 Å²	17	33.4 Å²	33.4	6%	0.064	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	151	174.2	-71.1	96.6	0	0	0	111.2	E405 D407 A414 V424 K460 L463 F478 F498	E405-W455 PolarHBondContact O-NE1 2.92Å; E405-W455 VanDerWaalsContact O-NE1 3.14Å; D407-W455 HydrophobicContact CB-CD2 4Å; D407-W455 HydrophobicContact CB-CE3 4.25Å; D407-W455 HydrophobicContact CB-CG 4.34Å; D407-W455 HydrophobicContact CB-CZ2 4.41Å; A414-W455 HydrophobicContact CB-CZ2 3.8Å; V424-W455 HydrophobicContact CG1-CH2 4.31Å; V424-W455 HydrophobicContact CG1-CZ2 4.2Å; V424-W455 HydrophobicContact CG2-CH2 4.38Å; V424-W455 HydrophobicContact CG2-CZ2 4.27Å; W455-K460 WeakPolarHBondContact CZ3-O 3.21Å; W455-L463 HydrophobicContact CD2-CB 4.22Å; W455-L463 HydrophobicContact CD2-CD1 3.77Å; W455-L463 HydrophobicContact CD2-CG 4.43Å; W455-L463 HydrophobicContact CE3-CB 3.88Å; W455-L463 HydrophobicContact CE3-CD1 4.31Å; W455-L463 HydrophobicContact CG-CD1 3.84Å; W455-L463 HydrophobicContact CH2-CD2 4.35Å; W455-L463 HydrophobicContact CZ2-CD2 4.14Å; W455-L463 HydrophobicContact CZ3-CB 4.02Å; W455-F478 HydrophobicContact CH2-CZ 4.41Å; W455-F478 HydrophobicContact CZ3-CE2 4.49Å; W455-F498 VanDerWaalsContact C-CD2 3.47Å; W455-F498 WeakPolarHBondContact O-CD2 3.41Å
456	S	97.1	Very high	96.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	15%	0.147	C	C	.	.			trans	-73.6	129.2	172.1	-178	0	0	0	0	111.1	Y458 H459 L462	S456-Y458 PolarHBondContact O-N 3.37Å; S456-Y458 VanDerWaalsContact O-N 3.09Å; S456-Y458 PolarHBondContact OG-N 2.92Å; S456-H459 PolarHBondContact OG-N 3.3Å; S456-L462 PolarHBondContact N-O 3.18Å
457	S	94.2	Very high	97	Very high	35 Å²	35	29.4 Å²	29.4	25%	0.245	15%	0.146	C	C	.	.	S	Bend	trans	-68.4	0.5	170.5	56.7	0	0	0	0	114.2	R408 L500	R408-S457 WeakPolarHBondContact CD-O 3.47Å; R408-S457 WeakPolarHBondContact CG-O 3.44Å; S457-L500 WeakPolarHBondContact OG-CA 3.43Å; S457-L500 PolarHBondContact OG-O 2.9Å
458	Y	94.8	Very high	97.2	Very high	88 Å²	88	27.8 Å²	27.8	35%	0.345	13%	0.133	S	C	.	.	S	Bend	trans	-119.4	-49.5	-178.3	-67.6	-89.5	0	0	0	112.4	R408 S456 L500 M501 D502 P503	R408-Y458 PolarHBondContact NH1-O 3.47Å; S456-Y458 PolarHBondContact O-N 3.37Å; S456-Y458 VanDerWaalsContact O-N 3.09Å; S456-Y458 PolarHBondContact OG-N 2.92Å; Y458-L500 WeakPolarHBondContact CE2-O 3.49Å; Y458-L500 PolarHBondContact OH-O 3.34Å; Y458-M501 VanDerWaalsContact OH-CA 3.27Å; Y458-M501 WeakPolarHBondContact OH-CA 3.28Å; Y458-D502 PolarHBondContact OH-N 2.94Å; Y458-P503 HydrophobicContact CD1-CB 4.09Å; Y458-P503 HydrophobicContact CD1-CG 4.44Å; Y458-P503 VanDerWaalsContact CD2-CA 3.47Å; Y458-P503 HydrophobicContact CD2-CB 3.67Å; Y458-P503 HydrophobicContact CD2-CG 4.5Å; Y458-P503 HydrophobicContact CE2-CB 4.19Å; Y458-P503 HydrophobicContact CG-CB 3.6Å; Y458-P503 HydrophobicContact CG-CG 4.4Å
459	H	95.4	Very high	97.3	Very high	96 Å²	96	32 Å²	32	44%	0.444	15%	0.152	S	C	.	.			trans	-105.3	103.5	-175.1	-62.8	-64.9	0	0	0	110.1	S456 N461 L462	S456-H459 PolarHBondContact OG-N 3.3Å; H459-N461 PolarHBondContact O-N 2.9Å; H459-L462 HydrophobicContact CB-CB 3.7Å; H459-L462 HydrophobicContact CB-CD2 4.36Å; H459-L462 PolarHBondContact O-N 3.29Å
460	K	94.3	Very high	97.2	Very high	58 Å²	58	28.1 Å²	28.1	25%	0.252	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-33.9	-173.9	-171	172.9	-166.5	155.1	0	114.3	D407 D409 D411 W455 F478	D407-K460 VanDerWaalsContact OD2-CE 3.24Å; D407-K460 WeakPolarHBondContact OD2-CE 3.42Å; D407-K460 WeakPolarHBondContact OD2-CG 3.42Å; D409-K460 WeakPolarHBondContact OD2-CD 3.32Å; D409-K460 VanDerWaalsContact OD2-CE 3.3Å; D409-K460 WeakPolarHBondContact OD2-CE 3.43Å; D409-K460 IonicContact OD2-NZ 2.75Å; D409-K460 PolarHBondContact OD2-NZ 2.9Å; D411-K460 IonicContact OD2-NZ 2.71Å; D411-K460 PolarHBondContact OD2-NZ 2.92Å; W455-K460 WeakPolarHBondContact CZ3-O 3.21Å; K460-F478 HydrophobicContact CG-CE2 4.44Å
461	N	95.8	Very high	97.2	Very high	63 Å²	63	28.5 Å²	28.5	34%	0.337	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.4	178.7	62.4	-35	0	0	0	114.5	H459 L463 D476 G477 F478	H459-N461 PolarHBondContact O-N 2.9Å; N461-L463 PolarHBondContact O-N 2.84Å; N461-D476 PolarHBondContact ND2-OD2 3.09Å; N461-D476 CarbonylContact O-C 3.51Å; N461-D476 WeakPolarHBondContact O-CA 3.43Å; N461-G477 PolarHBondContact O-N 3.47Å; N461-F478 HydrophobicContact CB-CD2 3.82Å; N461-F478 HydrophobicContact CB-CE2 4.17Å
462	L	97.8	Very high	97.3	Very high	22 Å²	22	28.1 Å²	28.1	12%	0.115	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.5	-170.1	-177.5	62.8	0	0	0	111.7	S456 H459 L474 F498 T520	S456-L462 PolarHBondContact N-O 3.18Å; H459-L462 HydrophobicContact CB-CB 3.7Å; H459-L462 HydrophobicContact CB-CD2 4.36Å; H459-L462 PolarHBondContact O-N 3.29Å; L462-L474 HydrophobicContact CD1-CB 4.23Å; L462-F498 HydrophobicContact CD1-CZ 4.42Å; L462-F498 HydrophobicContact CD2-CE1 3.9Å; L462-F498 HydrophobicContact CD2-CZ 3.7Å; L462-F498 HydrophobicContact CG-CE1 4.38Å; L462-F498 HydrophobicContact CG-CE2 4.31Å; L462-F498 HydrophobicContact CG-CZ 3.67Å; L462-T520 HydrophobicContact CD2-CG2 4.27Å
463	L	98.3	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.9	-179	178.7	58.1	0	0	0	110.5	A414 I422 M444 I453 W455 N461 W475	A414-L463 HydrophobicContact CB-CD2 3.95Å; I422-L463 HydrophobicContact CG2-CD2 3.94Å; M444-L463 HydrophobicContact CE-CD2 4.12Å; I453-L463 HydrophobicContact CB-CD1 4.09Å; W455-L463 HydrophobicContact CD2-CB 4.22Å; W455-L463 HydrophobicContact CD2-CD1 3.77Å; W455-L463 HydrophobicContact CD2-CG 4.43Å; W455-L463 HydrophobicContact CE3-CB 3.88Å; W455-L463 HydrophobicContact CE3-CD1 4.31Å; W455-L463 HydrophobicContact CG-CD1 3.84Å; W455-L463 HydrophobicContact CH2-CD2 4.35Å; W455-L463 HydrophobicContact CZ2-CD2 4.14Å; W455-L463 HydrophobicContact CZ3-CB 4.02Å; N461-L463 PolarHBondContact O-N 2.84Å; L463-W475 HydrophobicContact CB-CB 4.47Å; L463-W475 PolarHBondContact N-O 3.05Å; L463-W475 PolarHBondContact O-N 3.17Å
464	A	98.5	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.9	171.5	0	0	0	0	0	110.8	I453 S454 I473 L474 V496 F498 L506	I453-A464 CarbonylContact C-O 3.6Å; I453-A464 WeakPolarHBondContact CA-O 3.46Å; S454-A464 PolarHBondContact N-O 2.93Å; S454-A464 PolarHBondContact O-N 2.66Å; A464-I473 CarbonylContact C-O 3.58Å; A464-I473 WeakPolarHBondContact CA-O 3.35Å; A464-L474 HydrophobicContact CB-CD2 3.7Å; A464-V496 HydrophobicContact CB-CG1 4.19Å; A464-V496 HydrophobicContact CB-CG2 3.82Å; A464-F498 HydrophobicContact CB-CD2 4.22Å; A464-F498 HydrophobicContact CB-CE2 3.54Å; A464-F498 HydrophobicContact CB-CZ 4.01Å; A464-L506 HydrophobicContact CB-CD1 4.22Å
465	S	98.6	Very high	97.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.6	171.5	70.4	0	0	0	0	111.9	C452 V472 I473 W475	C452-S465 WeakPolarHBondContact O-CA 3.27Å; S465-V472 WeakPolarHBondContact O-CA 3.47Å; S465-I473 PolarHBondContact N-O 3.3Å; S465-I473 PolarHBondContact O-N 3.14Å; S465-W475 PolarHBondContact OG-NE1 3.29Å
466	S	98.4	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.9	169.9	55.2	0	0	0	0	112	I450 S451 C452 T471 C493	I450-S466 WeakPolarHBondContact CG2-O 3.38Å; S451-S466 PolarHBondContact N-O 3.45Å; S451-S466 PolarHBondContact OG-O 3.36Å; S451-S466 PolarHBondContact OG-OG 2.87Å; C452-S466 WeakPolarHBondContact CB-OG 3.38Å; C452-S466 PolarHBondContact N-OG 2.91Å; C452-S466 PolarHBondContact O-N 3.06Å; C452-S466 PolarHBondContact O-OG 2.9Å; S466-T471 WeakPolarHBondContact CA-O 3.29Å; S466-C493 WeakPolarHBondContact CB-SG 3.35Å
467	D	97.9	Very high	97.2	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	172.5	-177.5	83.1	14.6	0	0	0	116.1	K449 E469 G470 T471 C493	K449-D467 CarbonylContact O-C 3.54Å; K449-D467 WeakPolarHBondContact O-CA 3.35Å; K449-D467 WeakPolarHBondContact O-CB 3.23Å; D467-E469 VanDerWaalsContact C-N 3.26Å; D467-E469 PolarHBondContact O-N 2.96Å; D467-E469 WeakPolarHBondContact OD1-CA 3.19Å; D467-E469 WeakPolarHBondContact OD1-CB 3.32Å; D467-E469 PolarHBondContact OD1-N 3.49Å; D467-G470 PolarHBondContact O-N 3.39Å; D467-G470 VanDerWaalsContact O-N 3.13Å; D467-G470 PolarHBondContact OD1-N 3.31Å; D467-T471 PolarHBondContact N-O 3.44Å; D467-T471 PolarHBondContact OD1-N 3.39Å; D467-T471 WeakPolarHBondContact OD2-CB 3.42Å; D467-C493 PolarHBondContact O-N 3.19Å
468	Y	97.8	Very high	97.2	Very high	66 Å²	66	29.7 Å²	29.7	26%	0.259	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.8	-177.7	-84.5	39.5	0	0	0	114.6	K449 R492	K449-Y468 HydrophobicContact CB-CD1 3.94Å; K449-Y468 HydrophobicContact CB-CD2 3.94Å; K449-Y468 HydrophobicContact CB-CE1 4.3Å; K449-Y468 HydrophobicContact CB-CE2 4.32Å; K449-Y468 HydrophobicContact CB-CG 3.76Å; K449-Y468 HydrophobicContact CD-CD2 4.21Å; K449-Y468 HydrophobicContact CD-CE2 4.22Å; K449-Y468 WeakPolarHBondContact O-CD1 3.06Å; K449-Y468 PolarHBondContact O-N 3.39Å; Y468-R492 HydrophobicContact CD1-CG 4.1Å; Y468-R492 HydrophobicContact CG-CG 4.29Å
469	E	97.4	Very high	97.3	Very high	104 Å²	104	29.5 Å²	29.5	49%	0.486	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.4	169.5	-84.4	150.1	-138.3	0	0	111.7	S448 D467	S448-E469 VanDerWaalsContact CB-CD 3.43Å; S448-E469 WeakPolarHBondContact CB-OE1 3.47Å; S448-E469 VanDerWaalsContact OG-CD 3.31Å; S448-E469 PolarHBondContact OG-OE1 3.36Å; D467-E469 VanDerWaalsContact C-N 3.26Å; D467-E469 PolarHBondContact O-N 2.96Å; D467-E469 WeakPolarHBondContact OD1-CA 3.19Å; D467-E469 WeakPolarHBondContact OD1-CB 3.32Å; D467-E469 PolarHBondContact OD1-N 3.49Å
470	G	96.8	Very high	97.2	Very high	3 Å²	3	26 Å²	26	3%	0.031	13%	0.134	C	C	.	.	S	Bend	trans	101.6	-0.6	-176.2	0	0	0	0	0	113.4	D467 H489 K491	D467-G470 PolarHBondContact O-N 3.39Å; D467-G470 VanDerWaalsContact O-N 3.13Å; D467-G470 PolarHBondContact OD1-N 3.31Å; G470-H489 WeakPolarHBondContact O-CB 3.5Å; G470-K491 VanDerWaalsContact CA-O 3.24Å; G470-K491 WeakPolarHBondContact CA-O 3.34Å
471	T	97.9	Very high	97.3	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.049	15%	0.152	C	C	.	.			trans	-70.9	137.7	179.6	-46.7	0	0	0	0	110.2	S466 D467 I473 V485 Y486 Q487	S466-T471 WeakPolarHBondContact CA-O 3.29Å; D467-T471 PolarHBondContact N-O 3.44Å; D467-T471 PolarHBondContact OD1-N 3.39Å; D467-T471 WeakPolarHBondContact OD2-CB 3.42Å; T471-I473 HydrophobicContact CG2-CD1 4.11Å; T471-I473 HydrophobicContact CG2-CG1 3.51Å; T471-V485 HydrophobicContact CG2-CG1 3.66Å; T471-Y486 WeakPolarHBondContact CA-O 3.35Å; T471-Q487 HydrophobicContact CG2-CG 3.81Å; T471-Q487 PolarHBondContact OG1-NE2 2.91Å
472	V	98.5	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.6	162.9	-177.7	0	0	0	0	108	S465 Y486 V496 L506	S465-V472 WeakPolarHBondContact O-CA 3.47Å; V472-Y486 HydrophobicContact CB-CD2 4.2Å; V472-Y486 HydrophobicContact CG1-CD2 4.2Å; V472-Y486 PolarHBondContact N-O 2.93Å; V472-Y486 WeakPolarHBondContact O-CB 3.46Å; V472-Y486 WeakPolarHBondContact O-CD2 3.26Å; V472-Y486 PolarHBondContact O-N 3.45Å; V472-V496 HydrophobicContact CG1-CB 4.42Å; V472-V496 HydrophobicContact CG1-CG2 3.75Å; V472-L506 HydrophobicContact CG1-CD1 4.09Å
473	I	98.4	Very high	97.2	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.2	-176.5	-53.1	176.5	0	0	0	108.9	A464 S465 T471 W475 R482 V485	A464-I473 CarbonylContact C-O 3.58Å; A464-I473 WeakPolarHBondContact CA-O 3.35Å; S465-I473 PolarHBondContact N-O 3.3Å; S465-I473 PolarHBondContact O-N 3.14Å; T471-I473 HydrophobicContact CG2-CD1 4.11Å; T471-I473 HydrophobicContact CG2-CG1 3.51Å; I473-W475 HydrophobicContact CB-CZ2 4.38Å; I473-W475 HydrophobicContact CD1-CZ2 3.94Å; I473-W475 HydrophobicContact CG2-CD2 3.98Å; I473-W475 VanDerWaalsContact CG2-CE2 3.48Å; I473-W475 HydrophobicContact CG2-CG 4.23Å; I473-W475 HydrophobicContact CG2-CZ2 3.89Å; I473-R482 HydrophobicContact CG2-CB 4.26Å; I473-R482 HydrophobicContact CG2-CG 3.95Å; I473-V485 HydrophobicContact CG2-CG2 4.29Å
474	L	98.4	Very high	97.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126	166.5	-59.9	-171.9	0	0	0	109.6	L462 A464 R482 S483 K484 Y486 F498 L506 T520	L462-L474 HydrophobicContact CD1-CB 4.23Å; A464-L474 HydrophobicContact CB-CD2 3.7Å; L474-R482 CarbonylContact O-C 3.51Å; L474-R482 WeakPolarHBondContact O-CA 3.17Å; L474-S483 PolarHBondContact O-N 3.01Å; L474-K484 HydrophobicContact CB-CB 4.09Å; L474-K484 HydrophobicContact CD1-CB 3.99Å; L474-K484 HydrophobicContact CD1-CG 4.13Å; L474-K484 HydrophobicContact CG-CB 4.05Å; L474-K484 PolarHBondContact N-O 3.31Å; L474-Y486 HydrophobicContact CD1-CE2 3.94Å; L474-Y486 HydrophobicContact CD2-CE2 4.47Å; L474-Y486 HydrophobicContact CG-CE2 3.89Å; L474-F498 HydrophobicContact CD2-CZ 3.88Å; L474-L506 HydrophobicContact CD1-CD2 4.44Å; L474-L506 HydrophobicContact CD2-CD1 3.79Å; L474-L506 HydrophobicContact CD2-CD2 4.39Å; L474-T520 HydrophobicContact CD1-CG2 3.89Å
475	W	98.2	Very high	97	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.6	-179.2	-55.4	86.7	0	0	0	110.9	M444 C446 L463 S465 I473 Q481 R482	M444-W475 HydrophobicContact CB-CE3 4.06Å; M444-W475 HydrophobicContact CB-CH2 4.18Å; M444-W475 HydrophobicContact CB-CZ3 3.85Å; M444-W475 HydrophobicContact CG-CE3 3.91Å; M444-W475 HydrophobicContact CG-CZ3 4.07Å; M444-W475 HydrophobicContact SD-CB 3.83Å; M444-W475 HydrophobicContact SD-CD2 3.83Å; M444-W475 HydrophobicContact SD-CE3 3.65Å; M444-W475 HydrophobicContact SD-CG 3.95Å; M444-W475 HydrophobicContact SD-CZ3 4.38Å; C446-W475 VanDerWaalsContact SG-CZ2 3.55Å; L463-W475 HydrophobicContact CB-CB 4.47Å; L463-W475 PolarHBondContact N-O 3.05Å; L463-W475 PolarHBondContact O-N 3.17Å; S465-W475 PolarHBondContact OG-NE1 3.29Å; I473-W475 HydrophobicContact CB-CZ2 4.38Å; I473-W475 HydrophobicContact CD1-CZ2 3.94Å; I473-W475 HydrophobicContact CG2-CD2 3.98Å; I473-W475 VanDerWaalsContact CG2-CE2 3.48Å; I473-W475 HydrophobicContact CG2-CG 4.23Å; I473-W475 HydrophobicContact CG2-CZ2 3.89Å; W475-Q481 CarbonylContact C-O 3.5Å; W475-Q481 WeakPolarHBondContact CA-O 3.18Å; W475-R482 HydrophobicContact CD2-CG 4.17Å; W475-R482 HydrophobicContact CE3-CG 3.61Å; W475-R482 HydrophobicContact CH2-CG 3.86Å; W475-R482 HydrophobicContact CZ2-CG 4.33Å; W475-R482 HydrophobicContact CZ3-CG 3.45Å; W475-R482 VanDerWaalsContact CZ3-CG 3.45Å
476	D	97.6	Very high	97	Very high	32 Å²	32	40.4 Å²	40.4	17%	0.171	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	112.5	148.8	-179.5	-65.7	0	0	0	108	N461 F478 T479 G480 Q481	N461-D476 PolarHBondContact ND2-OD2 3.09Å; N461-D476 CarbonylContact O-C 3.51Å; N461-D476 WeakPolarHBondContact O-CA 3.43Å; D476-F478 PolarHBondContact O-N 3.38Å; D476-F478 PolarHBondContact OD1-N 3.2Å; D476-F478 VanDerWaalsContact OD1-N 3.15Å; D476-T479 VanDerWaalsContact CB-OG1 3.27Å; D476-T479 WeakPolarHBondContact CB-OG1 3.42Å; D476-T479 WeakPolarHBondContact OD1-CB 3.19Å; D476-T479 PolarHBondContact OD1-N 3.42Å; D476-T479 PolarHBondContact OD1-OG1 3.09Å; D476-G480 VanDerWaalsContact O-CA 3.28Å; D476-G480 WeakPolarHBondContact O-CA 3.49Å; D476-G480 PolarHBondContact O-N 2.88Å; D476-Q481 PolarHBondContact N-O 3.18Å
477	G	95.4	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.2	-171.3	0	0	0	0	0	115.1	N442 N461	N442-G477 PolarHBondContact ND2-O 3.37Å; N461-G477 PolarHBondContact O-N 3.47Å
478	F	95.8	Very high	96.9	Very high	67 Å²	67	49.7 Å²	49.7	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-37.2	-178.1	-59.9	-71.9	0	0	0	112.3	Y412 V424 N442 W455 K460 N461 D476	Y412-F478 AromaticContact CD1-CE1 3.89Å; Y412-F478 HydrophobicContact CD1-CE1 3.89Å; Y412-F478 AromaticContact CD2-CE1 3.87Å; Y412-F478 HydrophobicContact CD2-CE1 3.87Å; Y412-F478 AromaticContact CD2-CZ 3.79Å; Y412-F478 HydrophobicContact CD2-CZ 3.79Å; Y412-F478 HydrophobicContact CE1-CE1 4.01Å; Y412-F478 AromaticContact CE2-CE1 3.98Å; Y412-F478 HydrophobicContact CE2-CE1 3.98Å; Y412-F478 HydrophobicContact CE2-CZ 4.09Å; Y412-F478 AromaticContact CG-CE1 3.87Å; Y412-F478 HydrophobicContact CG-CE1 3.87Å; Y412-F478 HydrophobicContact CG-CZ 4.08Å; V424-F478 HydrophobicContact CG1-CE1 4.45Å; N442-F478 PolarHBondContact ND2-O 3.5Å; W455-F478 HydrophobicContact CH2-CZ 4.41Å; W455-F478 HydrophobicContact CZ3-CE2 4.49Å; K460-F478 HydrophobicContact CG-CE2 4.44Å; N461-F478 HydrophobicContact CB-CD2 3.82Å; N461-F478 HydrophobicContact CB-CE2 4.17Å; D476-F478 PolarHBondContact O-N 3.38Å; D476-F478 PolarHBondContact OD1-N 3.2Å; D476-F478 VanDerWaalsContact OD1-N 3.15Å
479	T	96.1	Very high	96.9	Very high	83 Å²	83	47.2 Å²	47.2	51%	0.509	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-12.5	175.6	65	0	0	0	0	113.4	D476 Q481	D476-T479 VanDerWaalsContact CB-OG1 3.27Å; D476-T479 WeakPolarHBondContact CB-OG1 3.42Å; D476-T479 WeakPolarHBondContact OD1-CB 3.19Å; D476-T479 PolarHBondContact OD1-N 3.42Å; D476-T479 PolarHBondContact OD1-OG1 3.09Å; T479-Q481 PolarHBondContact O-N 3.03Å
480	G	94.4	Very high	96.9	Very high	22 Å²	22	48.8 Å²	48.8	23%	0.227	25%	0.249	C	C	.	.			trans	70.4	9	-178.1	0	0	0	0	0	115.1	N442 D476	N442-G480 PolarHBondContact ND2-N 3.37Å; D476-G480 VanDerWaalsContact O-CA 3.28Å; D476-G480 WeakPolarHBondContact O-CA 3.49Å; D476-G480 PolarHBondContact O-N 2.88Å
481	Q	95.9	Very high	97	Very high	137 Å²	137	53.9 Å²	53.9	64%	0.64	27%	0.27	S	S	*	.			trans	-77.4	138.7	-177.2	-63.9	-170.8	19.4	0	0	112	W475 D476 T479	W475-Q481 CarbonylContact C-O 3.5Å; W475-Q481 WeakPolarHBondContact CA-O 3.18Å; D476-Q481 PolarHBondContact N-O 3.18Å; T479-Q481 PolarHBondContact O-N 3.03Å
482	R	95.9	Very high	97	Very high	115 Å²	115	57.2 Å²	57.2	43%	0.434	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	112.8	174.2	-61.6	177.9	-174.3	170.8	0.4	109.5	T445 I473 L474 W475 V485	T445-R482 PolarHBondContact O-NH2 2.83Å; I473-R482 HydrophobicContact CG2-CB 4.26Å; I473-R482 HydrophobicContact CG2-CG 3.95Å; L474-R482 CarbonylContact O-C 3.51Å; L474-R482 WeakPolarHBondContact O-CA 3.17Å; W475-R482 HydrophobicContact CD2-CG 4.17Å; W475-R482 HydrophobicContact CE3-CG 3.61Å; W475-R482 HydrophobicContact CH2-CG 3.86Å; W475-R482 HydrophobicContact CZ2-CG 4.33Å; W475-R482 HydrophobicContact CZ3-CG 3.45Å; W475-R482 VanDerWaalsContact CZ3-CG 3.45Å; R482-V485 HydrophobicContact CB-CG2 4.43Å
483	S	94	Very high	97	Very high	83 Å²	83	57.2 Å²	57.2	58%	0.58	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	-39.5	179.7	174.6	0	0	0	0	113	L474	L474-S483 PolarHBondContact O-N 3.01Å
484	K	96.3	Very high	97	Very high	43 Å²	43	58.9 Å²	58.9	19%	0.187	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.4	175.9	-67.8	-65.4	-170.6	-175.9	0	110.3	L474 Y486 T520 D523	L474-K484 HydrophobicContact CB-CB 4.09Å; L474-K484 HydrophobicContact CD1-CB 3.99Å; L474-K484 HydrophobicContact CD1-CG 4.13Å; L474-K484 HydrophobicContact CG-CB 4.05Å; L474-K484 PolarHBondContact N-O 3.31Å; K484-Y486 HydrophobicContact CB-CE1 4.26Å; K484-Y486 HydrophobicContact CB-CE2 4.05Å; K484-T520 WeakPolarHBondContact CE-O 3.47Å; K484-D523 VanDerWaalsContact NZ-CG 3.34Å; K484-D523 IonicContact NZ-OD1 2.96Å; K484-D523 PolarHBondContact NZ-OD1 3.44Å; K484-D523 IonicContact NZ-OD2 3.32Å; K484-D523 PolarHBondContact NZ-OD2 3.37Å
485	V	97.6	Very high	97	Very high	68 Å²	68	59.3 Å²	59.3	41%	0.412	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	102.1	177.7	177.9	0	0	0	0	108.1	T471 I473 R482 Q487	T471-V485 HydrophobicContact CG2-CG1 3.66Å; I473-V485 HydrophobicContact CG2-CG2 4.29Å; R482-V485 HydrophobicContact CB-CG2 4.43Å; V485-Q487 HydrophobicContact CG1-CG 4.06Å
486	Y	98	Very high	97	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.1	-176.9	-59.4	-60.6	0	0	0	110.6	T471 V472 L474 K484 W518 S519 L522 D523	T471-Y486 WeakPolarHBondContact CA-O 3.35Å; V472-Y486 HydrophobicContact CB-CD2 4.2Å; V472-Y486 HydrophobicContact CG1-CD2 4.2Å; V472-Y486 PolarHBondContact N-O 2.93Å; V472-Y486 WeakPolarHBondContact O-CB 3.46Å; V472-Y486 WeakPolarHBondContact O-CD2 3.26Å; V472-Y486 PolarHBondContact O-N 3.45Å; L474-Y486 HydrophobicContact CD1-CE2 3.94Å; L474-Y486 HydrophobicContact CD2-CE2 4.47Å; L474-Y486 HydrophobicContact CG-CE2 3.89Å; K484-Y486 HydrophobicContact CB-CE1 4.26Å; K484-Y486 HydrophobicContact CB-CE2 4.05Å; Y486-W518 HydrophobicContact CD1-CD2 4.13Å; Y486-W518 AromaticContact CD1-CE3 3.44Å; Y486-W518 HydrophobicContact CD1-CE3 3.44Å; Y486-W518 VanDerWaalsContact CD1-CE3 3.44Å; Y486-W518 AromaticContact CD1-CZ3 3.83Å; Y486-W518 HydrophobicContact CD1-CZ3 3.83Å; Y486-W518 HydrophobicContact CD2-CB 4.37Å; Y486-W518 HydrophobicContact CD2-CD2 4.08Å; Y486-W518 HydrophobicContact CD2-CE3 4.22Å; Y486-W518 HydrophobicContact CD2-CG 4.16Å; Y486-W518 HydrophobicContact CE1-CB 4.42Å; Y486-W518 HydrophobicContact CE1-CE3 4.02Å; Y486-W518 HydrophobicContact CE2-CB 3.99Å; Y486-W518 HydrophobicContact CE2-CG 4.27Å; Y486-W518 AromaticContact CG-CD2 3.85Å; Y486-W518 HydrophobicContact CG-CD2 3.85Å; Y486-W518 AromaticContact CG-CE3 3.56Å; Y486-W518 HydrophobicContact CG-CE3 3.56Å; Y486-W518 HydrophobicContact CG-CG 4.39Å; Y486-W518 HydrophobicContact CG-CH2 4.43Å; Y486-W518 AromaticContact CG-CZ3 3.89Å; Y486-W518 HydrophobicContact CG-CZ3 3.89Å; Y486-S519 PolarHBondContact OH-O 3.26Å; Y486-L522 WeakPolarHBondContact CE1-O 3.32Å; Y486-L522 PolarHBondContact OH-O 2.96Å; Y486-D523 WeakPolarHBondContact CD1-O 3.2Å
487	Q	96.9	Very high	97.1	Very high	141 Å²	141	57.7 Å²	57.7	66%	0.659	28%	0.283	S	S	*	.			trans	-132.5	66.7	-174.7	-69.3	-172.6	-31.3	0	0	111.6	T471 V485	T471-Q487 HydrophobicContact CG2-CG 3.81Å; T471-Q487 PolarHBondContact OG1-NE2 2.91Å; V485-Q487 HydrophobicContact CG1-CG 4.06Å
488	E	97.8	Very high	97.2	Very high	56 Å²	56	57.8 Å²	57.8	26%	0.262	28%	0.283	S	S	.	.			trans	-122.9	-5.1	173.7	-49.3	177.8	-173	0	0	114.4	K516 W518 N524 S525	E488-K516 HydrophobicContact CB-CD 4.02Å; E488-K516 VanDerWaalsContact O-CE 3.27Å; E488-K516 WeakPolarHBondContact O-CE 3.39Å; E488-K516 IonicContact OE2-NZ 2.61Å; E488-K516 PolarHBondContact OE2-NZ 3.23Å; E488-W518 HydrophobicContact CB-CH2 3.81Å; E488-W518 HydrophobicContact CB-CZ3 4.39Å; E488-W518 HydrophobicContact CG-CH2 3.79Å; E488-W518 HydrophobicContact CG-CZ3 3.87Å; E488-N524 WeakPolarHBondContact OE1-CA 3.38Å; E488-N524 WeakPolarHBondContact OE1-CB 3.36Å; E488-S525 PolarHBondContact OE1-N 2.95Å; E488-S525 WeakPolarHBondContact OE2-CB 3.49Å; E488-S525 PolarHBondContact OE2-OG 2.99Å
489	H	98.1	Very high	97.3	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.065	27%	0.27	C	S	.	.			trans	-81	134.9	171.7	-80.2	-61.8	0	0	0	109.5	G470 K491 S508 S510 D512 K514	G470-H489 WeakPolarHBondContact O-CB 3.5Å; H489-K491 VanDerWaalsContact C-N 3.3Å; H489-K491 PolarHBondContact O-N 3.12Å; H489-S508 PolarHBondContact NE2-OG 3.14Å; H489-S510 VanDerWaalsContact ND1-CB 3.3Å; H489-S510 WeakPolarHBondContact ND1-CB 3.48Å; H489-D512 VanDerWaalsContact CA-OD2 3.26Å; H489-D512 WeakPolarHBondContact CA-OD2 3.39Å; H489-D512 IonicContact CE1-OD1 2.74Å; H489-D512 IonicContact CE1-OD2 3.23Å; H489-D512 IonicContact CG-OD2 2.62Å; H489-D512 IonicContact ND1-OD1 2.67Å; H489-D512 PolarHBondContact ND1-OD1 3.38Å; H489-D512 IonicContact ND1-OD2 2.63Å; H489-D512 PolarHBondContact ND1-OD2 3.38Å; H489-K514 PolarHBondContact CE1-O 3.34Å
490	E	97.6	Very high	97.1	Very high	137 Å²	137	54.1 Å²	54.1	64%	0.64	26%	0.263	S	S	*	.	S	Bend	trans	-84.5	-8.5	-174.4	-66.8	159.9	-127.8	0	0	113	D512 K514	E490-D512 HydrophobicContact CB-CB 4.19Å; E490-D512 PolarHBondContact N-OD2 3.1Å; E490-D512 VanDerWaalsContact N-OD2 3.16Å; E490-K514 IonicContact OE1-NZ 3.81Å; E490-K514 PolarHBondContact OE1-NZ 2.59Å
491	K	98.2	Very high	97.2	Very high	110 Å²	110	57.5 Å²	57.5	48%	0.478	27%	0.274	S	S	.	.	S	Bend	trans	-151.4	169.9	-174.7	-62.2	167.3	-174.5	157.8	0	109.7	G470 H489 C493 S510 D511 D512	G470-K491 VanDerWaalsContact CA-O 3.24Å; G470-K491 WeakPolarHBondContact CA-O 3.34Å; H489-K491 VanDerWaalsContact C-N 3.3Å; H489-K491 PolarHBondContact O-N 3.12Å; K491-C493 PolarHBondContact O-N 3.48Å; K491-S510 PolarHBondContact O-OG 3.34Å; K491-D511 HydrophobicContact CB-CB 3.84Å; K491-D511 VanDerWaalsContact CD-C 3.42Å; K491-D511 HydrophobicContact CD-CB 3.94Å; K491-D511 WeakPolarHBondContact CD-O 3.27Å; K491-D511 PolarHBondContact NZ-O 3.47Å; K491-D512 HydrophobicContact CB-CB 4.42Å; K491-D512 HydrophobicContact CD-CB 4.25Å; K491-D512 HydrophobicContact CG-CB 4.48Å
492	R	98	Very high	97.2	Very high	78 Å²	78	52.1 Å²	52.1	29%	0.294	25%	0.25	S	S	.	.			trans	-32.9	119.7	171.8	171	-178.1	-55.3	142.5	15.5	112.6	Y468 W494 S510 D511	Y468-R492 HydrophobicContact CD1-CG 4.1Å; Y468-R492 HydrophobicContact CG-CG 4.29Å; R492-W494 VanDerWaalsContact CD-CE2 3.42Å; R492-W494 VanDerWaalsContact CD-CZ2 3.44Å; R492-W494 HydrophobicContact CG-CD2 4.23Å; R492-W494 HydrophobicContact CG-CG 4.5Å; R492-W494 VanDerWaalsContact NH1-CH2 3.35Å; R492-S510 WeakPolarHBondContact O-CA 3.47Å; R492-S510 WeakPolarHBondContact O-CB 3.48Å; R492-S510 PolarHBondContact O-OG 3.47Å; R492-D511 IonicContact NH1-OD2 2.62Å; R492-D511 PolarHBondContact O-N 2.88Å
493	C	98.4	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131.7	163.9	-177.2	0	0	0	0	108.2	S451 S466 D467 K491 S495 G509	S451-C493 VanDerWaalsContact CB-O 3.28Å; S451-C493 WeakPolarHBondContact CB-O 3.28Å; S451-C493 PolarHBondContact OG-O 2.91Å; S466-C493 WeakPolarHBondContact CB-SG 3.35Å; D467-C493 PolarHBondContact O-N 3.19Å; K491-C493 PolarHBondContact O-N 3.48Å; C493-S495 PolarHBondContact SG-O 2.99Å; C493-S495 VanDerWaalsContact SG-O 3.4Å; C493-G509 CarbonylContact C-O 3.54Å; C493-G509 WeakPolarHBondContact CA-O 3.22Å; C493-G509 PolarHBondContact SG-O 2.94Å
494	W	98.3	Very high	97.2	Very high	42 Å²	42	49.3 Å²	49.3	16%	0.159	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-28	-179	-77.1	110.1	0	0	0	113.5	S451 C452 R492 G509 D511 C536 F622	S451-W494 WeakPolarHBondContact CB-O 3.39Å; S451-W494 PolarHBondContact OG-O 2.9Å; C452-W494 WeakPolarHBondContact CB-O 3.39Å; R492-W494 VanDerWaalsContact CD-CE2 3.42Å; R492-W494 VanDerWaalsContact CD-CZ2 3.44Å; R492-W494 HydrophobicContact CG-CD2 4.23Å; R492-W494 HydrophobicContact CG-CG 4.5Å; R492-W494 VanDerWaalsContact NH1-CH2 3.35Å; W494-G509 PolarHBondContact N-O 3.06Å; W494-D511 PolarHBondContact NE1-OD1 3.14Å; W494-D511 PolarHBondContact NE1-OD2 3Å; W494-C536 VanDerWaalsContact CB-O 3.27Å; W494-C536 WeakPolarHBondContact CB-O 3.4Å; W494-F622 HydrophobicContact CD2-CZ 4.21Å; W494-F622 HydrophobicContact CE3-CE1 4.4Å; W494-F622 HydrophobicContact CE3-CE2 4.2Å; W494-F622 HydrophobicContact CE3-CZ 4.03Å; W494-F622 HydrophobicContact CH2-CD2 4.41Å; W494-F622 AromaticContact CH2-CE2 3.79Å; W494-F622 HydrophobicContact CH2-CE2 3.79Å; W494-F622 HydrophobicContact CH2-CZ 4.28Å; W494-F622 HydrophobicContact CZ2-CE2 4.26Å; W494-F622 HydrophobicContact CZ2-CZ 4.45Å; W494-F622 HydrophobicContact CZ3-CD2 4.13Å; W494-F622 AromaticContact CZ3-CE2 3.77Å; W494-F622 HydrophobicContact CZ3-CE2 3.77Å; W494-F622 HydrophobicContact CZ3-CZ 4.07Å
495	S	98.2	Very high	97.3	Very high	11 Å²	11	48.5 Å²	48.5	8%	0.077	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	138.2	-168.4	177.2	0	0	0	0	110.7	C493 S508 G509 V538	C493-S495 PolarHBondContact SG-O 2.99Å; C493-S495 VanDerWaalsContact SG-O 3.4Å; S495-S508 CarbonylContact O-C 3.52Å; S495-S508 VanDerWaalsContact O-CA 3.23Å; S495-S508 WeakPolarHBondContact O-CA 3.33Å; S495-G509 PolarHBondContact O-N 3.22Å; S495-V538 PolarHBondContact OG-N 2.83Å; S495-V538 PolarHBondContact OG-O 3.05Å
496	V	98.6	Very high	97.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.5	170.1	60.7	0	0	0	0	108.8	S454 A464 V472 L506 A507	S454-V496 WeakPolarHBondContact CB-O 3.47Å; A464-V496 HydrophobicContact CB-CG1 4.19Å; A464-V496 HydrophobicContact CB-CG2 3.82Å; V472-V496 HydrophobicContact CG1-CB 4.42Å; V472-V496 HydrophobicContact CG1-CG2 3.75Å; V496-L506 HydrophobicContact CG2-CD1 3.8Å; V496-A507 CarbonylContact C-O 3.56Å; V496-A507 VanDerWaalsContact CA-O 3.3Å; V496-A507 WeakPolarHBondContact CA-O 3.43Å
497	D	98.6	Very high	97.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.7	175.9	-165.4	38.2	0	0	0	113.3	S454 L506 A507 V538 K539 F540	S454-D497 PolarHBondContact OG-OD1 2.9Å; D497-L506 CarbonylContact O-C 3.55Å; D497-L506 WeakPolarHBondContact O-CA 3.46Å; D497-L506 VanDerWaalsContact O-CB 3.28Å; D497-L506 WeakPolarHBondContact O-CB 3.48Å; D497-A507 PolarHBondContact N-O 2.96Å; D497-A507 PolarHBondContact O-N 2.81Å; D497-V538 HydrophobicContact CB-CG2 4.35Å; D497-K539 VanDerWaalsContact CG-CE 3.49Å; D497-K539 VanDerWaalsContact CG-NZ 3.25Å; D497-K539 VanDerWaalsContact OD1-CE 3.29Å; D497-K539 WeakPolarHBondContact OD1-CE 3.23Å; D497-K539 IonicContact OD1-NZ 3.97Å; D497-K539 PolarHBondContact OD1-NZ 2.93Å; D497-K539 WeakPolarHBondContact OD2-CA 3.22Å; D497-K539 VanDerWaalsContact OD2-CD 3.27Å; D497-K539 WeakPolarHBondContact OD2-CD 3.43Å; D497-K539 WeakPolarHBondContact OD2-CE 3.25Å; D497-K539 IonicContact OD2-NZ 2.7Å; D497-K539 PolarHBondContact OD2-NZ 3.1Å; D497-F540 HydrophobicContact CB-CD2 4.33Å; D497-F540 WeakPolarHBondContact O-CE2 3.28Å; D497-F540 PolarHBondContact OD2-N 3.32Å
498	F	98.3	Very high	97.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	147.8	169.6	-84.5	-73	0	0	0	112	S454 W455 L462 A464 L474 L500 L506 T520 F540	S454-F498 WeakPolarHBondContact O-CD2 3.32Å; S454-F498 WeakPolarHBondContact O-CE2 3.45Å; S454-F498 PolarHBondContact OG-N 2.87Å; W455-F498 VanDerWaalsContact C-CD2 3.47Å; W455-F498 WeakPolarHBondContact O-CD2 3.41Å; L462-F498 HydrophobicContact CD1-CZ 4.42Å; L462-F498 HydrophobicContact CD2-CE1 3.9Å; L462-F498 HydrophobicContact CD2-CZ 3.7Å; L462-F498 HydrophobicContact CG-CE1 4.38Å; L462-F498 HydrophobicContact CG-CE2 4.31Å; L462-F498 HydrophobicContact CG-CZ 3.67Å; A464-F498 HydrophobicContact CB-CD2 4.22Å; A464-F498 HydrophobicContact CB-CE2 3.54Å; A464-F498 HydrophobicContact CB-CZ 4.01Å; L474-F498 HydrophobicContact CD2-CZ 3.88Å; F498-L500 PolarHBondContact O-N 3.15Å; F498-L506 HydrophobicContact CD1-CB 3.86Å; F498-L506 HydrophobicContact CE1-CB 4.14Å; F498-L506 HydrophobicContact CE1-CD2 4.09Å; F498-L506 HydrophobicContact CG-CB 4.37Å; F498-T520 HydrophobicContact CE1-CG2 4.29Å; F498-F540 WeakPolarHBondContact O-CD2 3.24Å
499	N	97.6	Very high	97.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.169	C	C	.	.			trans	-76.4	112	172.6	-170.6	-18.6	0	0	0	110.4	M501 D502 L505 F540 R545	N499-M501 PolarHBondContact O-N 2.91Å; N499-M501 PolarHBondContact OD1-N 2.99Å; N499-D502 HydrophobicContact CB-CB 4.05Å; N499-D502 CarbonylContact O-C 3.6Å; N499-D502 PolarHBondContact O-N 3.01Å; N499-D502 VanDerWaalsContact O-N 3.12Å; N499-D502 VanDerWaalsContact O-O 3.11Å; N499-D502 PolarHBondContact OD1-N 2.87Å; N499-L505 HydrophobicContact CB-CB 3.9Å; N499-L505 WeakPolarHBondContact CB-O 3.23Å; N499-L505 PolarHBondContact N-O 2.93Å; N499-L505 WeakPolarHBondContact ND2-CD2 3.36Å; N499-F540 HydrophobicContact CB-CD1 3.82Å; N499-F540 HydrophobicContact CB-CD2 4Å; N499-F540 HydrophobicContact CB-CE1 3.77Å; N499-F540 HydrophobicContact CB-CE2 3.95Å; N499-F540 HydrophobicContact CB-CG 3.93Å; N499-F540 HydrophobicContact CB-CZ 3.85Å; N499-F540 WeakPolarHBondContact ND2-CE1 3.34Å; N499-R545 PolarHBondContact ND2-O 3.26Å; N499-R545 WeakPolarHBondContact OD1-CA 3.33Å
500	L	93.6	Very high	97.4	Very high	71 Å²	71	35.2 Å²	35.2	37%	0.372	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.6	179.7	-63.7	172	0	0	0	113.5	S457 Y458 F498 P542	S457-L500 WeakPolarHBondContact OG-CA 3.43Å; S457-L500 PolarHBondContact OG-O 2.9Å; Y458-L500 WeakPolarHBondContact CE2-O 3.49Å; Y458-L500 PolarHBondContact OH-O 3.34Å; F498-L500 PolarHBondContact O-N 3.15Å; L500-P542 HydrophobicContact CD1-CB 3.89Å
501	M	95.1	Very high	97.5	Very high	94 Å²	94	30 Å²	30	46%	0.463	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	12.2	-175.2	-64.1	-72.6	-90.8	0	0	113.2	Y458 N499 R545	Y458-M501 VanDerWaalsContact OH-CA 3.27Å; Y458-M501 WeakPolarHBondContact OH-CA 3.28Å; N499-M501 PolarHBondContact O-N 2.91Å; N499-M501 PolarHBondContact OD1-N 2.99Å; M501-R545 HydrophobicContact CB-CB 3.68Å
502	D	95.5	Very high	97.4	Very high	24 Å²	24	25.4 Å²	25.4	13%	0.128	12%	0.123	C	C	.	.			trans	-151.6	110.9	171.8	-172.4	-23.4	0	0	0	111.3	Y458 N499 K504 L505 R545	Y458-D502 PolarHBondContact OH-N 2.94Å; N499-D502 HydrophobicContact CB-CB 4.05Å; N499-D502 CarbonylContact O-C 3.6Å; N499-D502 PolarHBondContact O-N 3.01Å; N499-D502 VanDerWaalsContact O-N 3.12Å; N499-D502 VanDerWaalsContact O-O 3.11Å; N499-D502 PolarHBondContact OD1-N 2.87Å; D502-K504 PolarHBondContact O-N 2.89Å; D502-K504 PolarHBondContact OD1-N 2.89Å; D502-L505 HydrophobicContact CB-CB 4.12Å; D502-L505 PolarHBondContact O-N 2.77Å; D502-R545 HydrophobicContact CB-CB 4.37Å; D502-R545 IonicContact OD2-CZ 2.93Å; D502-R545 IonicContact OD2-NE 2.74Å; D502-R545 PolarHBondContact OD2-NE 2.95Å; D502-R545 IonicContact OD2-NH2 3.58Å; D502-R545 PolarHBondContact OD2-NH2 2.8Å
503	P	95.3	Very high	97.4	Very high	40 Å²	40	22.6 Å²	22.6	26%	0.26	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.7	-174.8	23.7	-34	0	0	0	114.8	Y458	Y458-P503 HydrophobicContact CD1-CB 4.09Å; Y458-P503 HydrophobicContact CD1-CG 4.44Å; Y458-P503 VanDerWaalsContact CD2-CA 3.47Å; Y458-P503 HydrophobicContact CD2-CB 3.67Å; Y458-P503 HydrophobicContact CD2-CG 4.5Å; Y458-P503 HydrophobicContact CE2-CB 4.19Å; Y458-P503 HydrophobicContact CG-CB 3.6Å; Y458-P503 HydrophobicContact CG-CG 4.4Å
504	K	95.6	Very high	97.4	Very high	99 Å²	99	24.8 Å²	24.8	43%	0.43	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-22.4	-175	-64.2	175.6	-177.5	174.6	0	113.3	D502 S519 T520	D502-K504 PolarHBondContact O-N 2.89Å; D502-K504 PolarHBondContact OD1-N 2.89Å; K504-S519 CarbonylContact O-C 3.56Å; K504-S519 VanDerWaalsContact O-CA 3.26Å; K504-S519 WeakPolarHBondContact O-CA 3.38Å; K504-T520 WeakPolarHBondContact CA-OG1 3.45Å; K504-T520 PolarHBondContact O-N 3.48Å
505	L	97.4	Very high	97.4	Very high	26 Å²	26	22.8 Å²	22.8	14%	0.136	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.9	-171.1	-160.6	76.6	0	0	0	110.7	N499 D502 L517 W518 V526 F540 L562	N499-L505 HydrophobicContact CB-CB 3.9Å; N499-L505 WeakPolarHBondContact CB-O 3.23Å; N499-L505 PolarHBondContact N-O 2.93Å; N499-L505 WeakPolarHBondContact ND2-CD2 3.36Å; D502-L505 HydrophobicContact CB-CB 4.12Å; D502-L505 PolarHBondContact O-N 2.77Å; L505-L517 HydrophobicContact CD1-CB 4.43Å; L505-W518 WeakPolarHBondContact CA-O 3.47Å; L505-V526 HydrophobicContact CD1-CG2 3.98Å; L505-F540 HydrophobicContact CD2-CE1 3.78Å; L505-F540 HydrophobicContact CD2-CZ 3.82Å; L505-F540 HydrophobicContact CG-CZ 4.13Å; L505-L562 HydrophobicContact CD2-CD1 4.11Å
506	L	98.1	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.3	165.7	65.3	150.4	0	0	0	110.1	A464 V472 L474 V496 D497 F498 L517 W518 T520	A464-L506 HydrophobicContact CB-CD1 4.22Å; V472-L506 HydrophobicContact CG1-CD1 4.09Å; L474-L506 HydrophobicContact CD1-CD2 4.44Å; L474-L506 HydrophobicContact CD2-CD1 3.79Å; L474-L506 HydrophobicContact CD2-CD2 4.39Å; V496-L506 HydrophobicContact CG2-CD1 3.8Å; D497-L506 CarbonylContact O-C 3.55Å; D497-L506 WeakPolarHBondContact O-CA 3.46Å; D497-L506 VanDerWaalsContact O-CB 3.28Å; D497-L506 WeakPolarHBondContact O-CB 3.48Å; F498-L506 HydrophobicContact CD1-CB 3.86Å; F498-L506 HydrophobicContact CE1-CB 4.14Å; F498-L506 HydrophobicContact CE1-CD2 4.09Å; F498-L506 HydrophobicContact CG-CB 4.37Å; L506-L517 CarbonylContact O-C 3.24Å; L506-L517 WeakPolarHBondContact O-CA 3.39Å; L506-W518 HydrophobicContact CD2-CB 3.89Å; L506-W518 HydrophobicContact CG-CB 3.94Å; L506-W518 HydrophobicContact CG-CG 4.39Å; L506-W518 PolarHBondContact N-O 2.91Å; L506-W518 PolarHBondContact O-N 3.32Å; L506-T520 HydrophobicContact CD2-CG2 4.21Å
507	A	98.4	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.4	179.9	0	0	0	0	0	110.9	V496 D497 K516 L517 V538 F540 L548	V496-A507 CarbonylContact C-O 3.56Å; V496-A507 VanDerWaalsContact CA-O 3.3Å; V496-A507 WeakPolarHBondContact CA-O 3.43Å; D497-A507 PolarHBondContact N-O 2.96Å; D497-A507 PolarHBondContact O-N 2.81Å; A507-K516 CarbonylContact C-O 3.52Å; A507-K516 VanDerWaalsContact CA-O 3.26Å; A507-K516 WeakPolarHBondContact CA-O 3.39Å; A507-L517 HydrophobicContact CB-CD2 3.73Å; A507-V538 HydrophobicContact CB-CG2 4.4Å; A507-F540 HydrophobicContact CB-CD2 4.49Å; A507-F540 HydrophobicContact CB-CE2 3.53Å; A507-F540 HydrophobicContact CB-CZ 3.8Å; A507-L548 HydrophobicContact CB-CD1 3.49Å; A507-L548 VanDerWaalsContact CB-CD1 3.49Å
508	S	98.6	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.6	174.9	62.6	0	0	0	0	112.5	H489 S495 V515 K516 W518	H489-S508 PolarHBondContact NE2-OG 3.14Å; S495-S508 CarbonylContact O-C 3.52Å; S495-S508 VanDerWaalsContact O-CA 3.23Å; S495-S508 WeakPolarHBondContact O-CA 3.33Å; S508-V515 CarbonylContact O-C 3.56Å; S508-V515 VanDerWaalsContact O-CA 3.26Å; S508-V515 WeakPolarHBondContact O-CA 3.48Å; S508-K516 PolarHBondContact N-O 3.29Å; S508-K516 PolarHBondContact O-N 3.18Å; S508-W518 PolarHBondContact OG-NE1 3.2Å
509	G	98.4	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.6	177.8	0	0	0	0	0	112.7	C493 W494 S495	C493-G509 CarbonylContact C-O 3.54Å; C493-G509 WeakPolarHBondContact CA-O 3.22Å; C493-G509 PolarHBondContact SG-O 2.94Å; W494-G509 PolarHBondContact N-O 3.06Å; S495-G509 PolarHBondContact O-N 3.22Å
510	S	98.5	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.8	-171.5	169	0	0	0	0	114.6	H489 K491 R492 D512 A513 K514 V535	H489-S510 VanDerWaalsContact ND1-CB 3.3Å; H489-S510 WeakPolarHBondContact ND1-CB 3.48Å; K491-S510 PolarHBondContact O-OG 3.34Å; R492-S510 WeakPolarHBondContact O-CA 3.47Å; R492-S510 WeakPolarHBondContact O-CB 3.48Å; R492-S510 PolarHBondContact O-OG 3.47Å; S510-D512 VanDerWaalsContact CB-OD1 3.25Å; S510-D512 WeakPolarHBondContact CB-OD1 3.36Å; S510-D512 PolarHBondContact O-N 2.72Å; S510-D512 VanDerWaalsContact O-N 3.17Å; S510-D512 PolarHBondContact OG-N 2.78Å; S510-D512 VanDerWaalsContact OG-N 3.13Å; S510-D512 PolarHBondContact OG-OD1 3.01Å; S510-A513 PolarHBondContact O-N 2.77Å; S510-A513 VanDerWaalsContact O-N 3.13Å; S510-K514 PolarHBondContact N-O 3.32Å; S510-V535 PolarHBondContact O-N 3.02Å
511	D	98.3	Very high	97.4	Very high	27 Å²	27	26.9 Å²	26.9	14%	0.144	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.8	166.1	-80.2	-30.8	0	0	0	113.7	K491 R492 W494 N534	K491-D511 HydrophobicContact CB-CB 3.84Å; K491-D511 VanDerWaalsContact CD-C 3.42Å; K491-D511 HydrophobicContact CD-CB 3.94Å; K491-D511 WeakPolarHBondContact CD-O 3.27Å; K491-D511 PolarHBondContact NZ-O 3.47Å; R492-D511 IonicContact NH1-OD2 2.62Å; R492-D511 PolarHBondContact O-N 2.88Å; W494-D511 PolarHBondContact NE1-OD1 3.14Å; W494-D511 PolarHBondContact NE1-OD2 3Å; D511-N534 PolarHBondContact OD1-ND2 3.29Å
512	D	97.7	Very high	97.4	Very high	14 Å²	14	26.5 Å²	26.5	8%	0.075	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	2.1	170.5	72.1	6.9	0	0	0	114.1	H489 E490 K491 S510 K514	H489-D512 VanDerWaalsContact CA-OD2 3.26Å; H489-D512 WeakPolarHBondContact CA-OD2 3.39Å; H489-D512 IonicContact CE1-OD1 2.74Å; H489-D512 IonicContact CE1-OD2 3.23Å; H489-D512 IonicContact CG-OD2 2.62Å; H489-D512 IonicContact ND1-OD1 2.67Å; H489-D512 PolarHBondContact ND1-OD1 3.38Å; H489-D512 IonicContact ND1-OD2 2.63Å; H489-D512 PolarHBondContact ND1-OD2 3.38Å; E490-D512 HydrophobicContact CB-CB 4.19Å; E490-D512 PolarHBondContact N-OD2 3.1Å; E490-D512 VanDerWaalsContact N-OD2 3.16Å; K491-D512 HydrophobicContact CB-CB 4.42Å; K491-D512 HydrophobicContact CD-CB 4.25Å; K491-D512 HydrophobicContact CG-CB 4.48Å; S510-D512 VanDerWaalsContact CB-OD1 3.25Å; S510-D512 WeakPolarHBondContact CB-OD1 3.36Å; S510-D512 PolarHBondContact O-N 2.72Å; S510-D512 VanDerWaalsContact O-N 3.17Å; S510-D512 PolarHBondContact OG-N 2.78Å; S510-D512 VanDerWaalsContact OG-N 3.13Å; S510-D512 PolarHBondContact OG-OD1 3.01Å; D512-K514 VanDerWaalsContact C-N 3.25Å; D512-K514 PolarHBondContact O-N 2.82Å; D512-K514 VanDerWaalsContact OD1-CB 3.31Å; D512-K514 WeakPolarHBondContact OD1-CB 3.32Å; D512-K514 PolarHBondContact OD1-N 3.37Å
513	A	97.6	Very high	97.4	Very high	20 Å²	20	30.5 Å²	30.5	17%	0.165	16%	0.162	C	C	.	.	S	Bend	trans	63.6	22.5	-177.9	0	0	0	0	0	114.5	S510 A531 A533	S510-A513 PolarHBondContact O-N 2.77Å; S510-A513 VanDerWaalsContact O-N 3.13Å; A513-A531 WeakPolarHBondContact O-CB 3.23Å; A513-A531 PolarHBondContact O-N 3.15Å; A513-A533 WeakPolarHBondContact CB-O 3.37Å
514	K	97.9	Very high	97.4	Very high	45 Å²	45	33.8 Å²	33.8	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.4	174.9	-60.5	165.4	-173.7	174.8	0	110.7	H489 E490 S510 D512 I529	H489-K514 PolarHBondContact CE1-O 3.34Å; E490-K514 IonicContact OE1-NZ 3.81Å; E490-K514 PolarHBondContact OE1-NZ 2.59Å; S510-K514 PolarHBondContact N-O 3.32Å; D512-K514 VanDerWaalsContact C-N 3.25Å; D512-K514 PolarHBondContact O-N 2.82Å; D512-K514 VanDerWaalsContact OD1-CB 3.31Å; D512-K514 WeakPolarHBondContact OD1-CB 3.32Å; D512-K514 PolarHBondContact OD1-N 3.37Å; K514-I529 WeakPolarHBondContact CA-O 3.16Å
515	V	98.4	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.8	156.9	-179.4	0	0	0	0	107.6	S508 S528 I529 V535 V538 L548 F550	S508-V515 CarbonylContact O-C 3.56Å; S508-V515 VanDerWaalsContact O-CA 3.26Å; S508-V515 WeakPolarHBondContact O-CA 3.48Å; V515-S528 CarbonylContact O-C 3.52Å; V515-S528 WeakPolarHBondContact O-CA 3.23Å; V515-I529 HydrophobicContact CB-CB 4.22Å; V515-I529 PolarHBondContact N-O 3.47Å; V515-I529 PolarHBondContact O-N 2.96Å; V515-V535 HydrophobicContact CG2-CB 4.45Å; V515-V535 HydrophobicContact CG2-CG1 4.03Å; V515-V535 HydrophobicContact CG2-CG2 3.92Å; V515-V538 HydrophobicContact CG1-CG1 4.06Å; V515-V538 HydrophobicContact CG2-CG1 4.09Å; V515-L548 HydrophobicContact CG1-CD1 4.5Å; V515-L548 HydrophobicContact CG1-CD2 4.39Å; V515-F550 HydrophobicContact CG2-CB 4.37Å; V515-F550 HydrophobicContact CG2-CD1 3.77Å; V515-F550 HydrophobicContact CG2-CD2 4.35Å; V515-F550 HydrophobicContact CG2-CE1 3.97Å; V515-F550 HydrophobicContact CG2-CG 3.96Å; V515-F550 HydrophobicContact CG2-CZ 4.35Å
516	K	98.4	Very high	97.5	Very high	17 Å²	17	32.6 Å²	32.6	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.9	175.1	-74.4	179.4	174.1	-78.1	0	110.3	E488 A507 S508 W518	E488-K516 HydrophobicContact CB-CD 4.02Å; E488-K516 VanDerWaalsContact O-CE 3.27Å; E488-K516 WeakPolarHBondContact O-CE 3.39Å; E488-K516 IonicContact OE2-NZ 2.61Å; E488-K516 PolarHBondContact OE2-NZ 3.23Å; A507-K516 CarbonylContact C-O 3.52Å; A507-K516 VanDerWaalsContact CA-O 3.26Å; A507-K516 WeakPolarHBondContact CA-O 3.39Å; S508-K516 PolarHBondContact N-O 3.29Å; S508-K516 PolarHBondContact O-N 3.18Å; K516-W518 HydrophobicContact CB-CH2 4.41Å; K516-W518 HydrophobicContact CB-CZ2 3.64Å; K516-W518 HydrophobicContact CD-CH2 3.66Å; K516-W518 HydrophobicContact CD-CZ2 3.52Å; K516-W518 HydrophobicContact CG-CZ2 4.22Å
517	L	98.3	Very high	97.4	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.5	167.5	-59.2	-172.9	0	0	0	109.1	L505 L506 A507 S525 V526 A527 F540 L548 L562	L505-L517 HydrophobicContact CD1-CB 4.43Å; L506-L517 CarbonylContact O-C 3.24Å; L506-L517 WeakPolarHBondContact O-CA 3.39Å; A507-L517 HydrophobicContact CB-CD2 3.73Å; L517-S525 CarbonylContact O-C 3.57Å; L517-S525 WeakPolarHBondContact O-CA 3.14Å; L517-S525 VanDerWaalsContact O-CB 3.23Å; L517-S525 WeakPolarHBondContact O-CB 3.19Å; L517-V526 HydrophobicContact CB-CG2 3.61Å; L517-V526 PolarHBondContact O-N 2.84Å; L517-A527 HydrophobicContact CB-CB 4.39Å; L517-A527 HydrophobicContact CD1-CB 4.04Å; L517-A527 HydrophobicContact CG-CB 4.33Å; L517-A527 PolarHBondContact N-O 2.8Å; L517-F540 HydrophobicContact CD2-CZ 4.4Å; L517-L548 HydrophobicContact CD2-CD1 4.21Å; L517-L562 HydrophobicContact CD1-CB 4.31Å; L517-L562 HydrophobicContact CD1-CD1 3.9Å; L517-L562 HydrophobicContact CD1-CD2 4.11Å; L517-L562 HydrophobicContact CD1-CG 4.32Å; L517-L562 HydrophobicContact CD2-CD1 4.1Å; L517-L562 HydrophobicContact CD2-CD2 4.29Å
518	W	98.2	Very high	97.3	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.8	178.6	-42.8	89.4	0	0	0	110.4	Y486 E488 L505 L506 S508 K516	Y486-W518 HydrophobicContact CD1-CD2 4.13Å; Y486-W518 AromaticContact CD1-CE3 3.44Å; Y486-W518 HydrophobicContact CD1-CE3 3.44Å; Y486-W518 VanDerWaalsContact CD1-CE3 3.44Å; Y486-W518 AromaticContact CD1-CZ3 3.83Å; Y486-W518 HydrophobicContact CD1-CZ3 3.83Å; Y486-W518 HydrophobicContact CD2-CB 4.37Å; Y486-W518 HydrophobicContact CD2-CD2 4.08Å; Y486-W518 HydrophobicContact CD2-CE3 4.22Å; Y486-W518 HydrophobicContact CD2-CG 4.16Å; Y486-W518 HydrophobicContact CE1-CB 4.42Å; Y486-W518 HydrophobicContact CE1-CE3 4.02Å; Y486-W518 HydrophobicContact CE2-CB 3.99Å; Y486-W518 HydrophobicContact CE2-CG 4.27Å; Y486-W518 AromaticContact CG-CD2 3.85Å; Y486-W518 HydrophobicContact CG-CD2 3.85Å; Y486-W518 AromaticContact CG-CE3 3.56Å; Y486-W518 HydrophobicContact CG-CE3 3.56Å; Y486-W518 HydrophobicContact CG-CG 4.39Å; Y486-W518 HydrophobicContact CG-CH2 4.43Å; Y486-W518 AromaticContact CG-CZ3 3.89Å; Y486-W518 HydrophobicContact CG-CZ3 3.89Å; E488-W518 HydrophobicContact CB-CH2 3.81Å; E488-W518 HydrophobicContact CB-CZ3 4.39Å; E488-W518 HydrophobicContact CG-CH2 3.79Å; E488-W518 HydrophobicContact CG-CZ3 3.87Å; L505-W518 WeakPolarHBondContact CA-O 3.47Å; L506-W518 HydrophobicContact CD2-CB 3.89Å; L506-W518 HydrophobicContact CG-CB 3.94Å; L506-W518 HydrophobicContact CG-CG 4.39Å; L506-W518 PolarHBondContact N-O 2.91Å; L506-W518 PolarHBondContact O-N 3.32Å; S508-W518 PolarHBondContact OG-NE1 3.2Å; K516-W518 HydrophobicContact CB-CH2 4.41Å; K516-W518 HydrophobicContact CB-CZ2 3.64Å; K516-W518 HydrophobicContact CD-CH2 3.66Å; K516-W518 HydrophobicContact CD-CZ2 3.52Å; K516-W518 HydrophobicContact CG-CZ2 4.22Å
519	S	97.3	Very high	97.3	Very high	18 Å²	18	36.4 Å²	36.4	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.5	170	178	0	0	0	0	108.9	Y486 K504 N521 L522	Y486-S519 PolarHBondContact OH-O 3.26Å; K504-S519 CarbonylContact O-C 3.56Å; K504-S519 VanDerWaalsContact O-CA 3.26Å; K504-S519 WeakPolarHBondContact O-CA 3.38Å; S519-N521 PolarHBondContact O-N 2.85Å; S519-L522 PolarHBondContact O-N 3.48Å
520	T	96.5	Very high	97.2	Very high	27 Å²	27	43.5 Å²	43.5	17%	0.166	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.3	176.4	56.3	0	0	0	0	112.9	L462 L474 K484 F498 K504 L506	L462-T520 HydrophobicContact CD2-CG2 4.27Å; L474-T520 HydrophobicContact CD1-CG2 3.89Å; K484-T520 WeakPolarHBondContact CE-O 3.47Å; F498-T520 HydrophobicContact CE1-CG2 4.29Å; K504-T520 WeakPolarHBondContact CA-OG1 3.45Å; K504-T520 PolarHBondContact O-N 3.48Å; L506-T520 HydrophobicContact CD2-CG2 4.21Å
521	N	95.3	Very high	97	Very high	104 Å²	104	44.4 Å²	44.4	56%	0.556	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.2	-179.3	-74.1	32.6	0	0	0	114.1	S519	S519-N521 PolarHBondContact O-N 2.85Å
522	L	96.1	Very high	96.7	Very high	87 Å²	87	52 Å²	52	46%	0.455	28%	0.281	S	S	.	.			trans	-125	160.8	-176	-61.3	174.4	0	0	0	110.2	Y486 S519 V526	Y486-L522 WeakPolarHBondContact CE1-O 3.32Å; Y486-L522 PolarHBondContact OH-O 2.96Å; S519-L522 PolarHBondContact O-N 3.48Å; L522-V526 HydrophobicContact CD1-CG1 3.67Å
523	D	95.6	Very high	96.7	Very high	107 Å²	107	52.4 Å²	52.4	57%	0.572	29%	0.287	S	S	*	.	S	Bend	trans	-97.3	-17	-179.6	-62.4	-70.8	0	0	0	113.4	K484 Y486	K484-D523 VanDerWaalsContact NZ-CG 3.34Å; K484-D523 IonicContact NZ-OD1 2.96Å; K484-D523 PolarHBondContact NZ-OD1 3.44Å; K484-D523 IonicContact NZ-OD2 3.32Å; K484-D523 PolarHBondContact NZ-OD2 3.37Å; Y486-D523 WeakPolarHBondContact CD1-O 3.2Å
524	N	96.1	Very high	96.7	Very high	110 Å²	110	54.4 Å²	54.4	59%	0.588	30%	0.295	S	S	*	.	S	Bend	trans	-115.8	163.7	-179.6	-59.5	-22.5	0	0	0	111.1	E488	E488-N524 WeakPolarHBondContact OE1-CA 3.38Å; E488-N524 WeakPolarHBondContact OE1-CB 3.36Å
525	S	97.3	Very high	96.7	Very high	31 Å²	31	52.3 Å²	52.3	22%	0.217	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	141.5	175.4	64.1	0	0	0	0	112	E488 L517	E488-S525 PolarHBondContact OE1-N 2.95Å; E488-S525 WeakPolarHBondContact OE2-CB 3.49Å; E488-S525 PolarHBondContact OE2-OG 2.99Å; L517-S525 CarbonylContact O-C 3.57Å; L517-S525 WeakPolarHBondContact O-CA 3.14Å; L517-S525 VanDerWaalsContact O-CB 3.23Å; L517-S525 WeakPolarHBondContact O-CB 3.19Å
526	V	97	Very high	96.7	Very high	68 Å²	68	52.9 Å²	52.9	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-23.3	179.2	-61.3	0	0	0	0	112.7	L505 L517 L522	L505-V526 HydrophobicContact CD1-CG2 3.98Å; L517-V526 HydrophobicContact CB-CG2 3.61Å; L517-V526 PolarHBondContact O-N 2.84Å; L522-V526 HydrophobicContact CD1-CG1 3.67Å
527	A	96	Very high	96.7	Very high	32 Å²	32	52.3 Å²	52.3	26%	0.264	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	159.8	171.9	0	0	0	0	0	110.3	L517	L517-A527 HydrophobicContact CB-CB 4.39Å; L517-A527 HydrophobicContact CD1-CB 4.04Å; L517-A527 HydrophobicContact CG-CB 4.33Å; L517-A527 PolarHBondContact N-O 2.8Å
528	S	96.6	Very high	96.7	Very high	46 Å²	46	52 Å²	52	32%	0.322	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.6	169.6	-167.1	0	0	0	0	109	V515	V515-S528 CarbonylContact O-C 3.52Å; V515-S528 WeakPolarHBondContact O-CA 3.23Å
529	I	97.6	Very high	96.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.1	169.5	-45	-179.4	0	0	0	106.9	K514 V515 Y560 L562 T565	K514-I529 WeakPolarHBondContact CA-O 3.16Å; V515-I529 HydrophobicContact CB-CB 4.22Å; V515-I529 PolarHBondContact N-O 3.47Å; V515-I529 PolarHBondContact O-N 2.96Å; I529-Y560 HydrophobicContact CD1-CD1 4.25Å; I529-Y560 HydrophobicContact CD1-CG 4.21Å; I529-Y560 HydrophobicContact CG2-CD1 4.27Å; I529-Y560 HydrophobicContact CG2-CE1 3.75Å; I529-Y560 HydrophobicContact CG2-CE2 4.21Å; I529-L562 HydrophobicContact CD1-CD2 3.93Å; I529-T565 HydrophobicContact CD1-CG2 3.96Å; I529-T565 HydrophobicContact CG1-CG2 3.77Å
530	E	96.3	Very high	96.7	Very high	150 Å²	150	52.8 Å²	52.8	70%	0.701	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.6	176.9	-61.1	-170.3	148.8	0	0	109.8
531	A	95.4	Very high	96.7	Very high	18 Å²	18	51.6 Å²	51.6	15%	0.149	28%	0.28	C	S	.	.			trans	-91.4	163.6	175.1	0	0	0	0	0	110.8	A513 A533 V535 F550	A513-A531 WeakPolarHBondContact O-CB 3.23Å; A513-A531 PolarHBondContact O-N 3.15Å; A531-A533 VanDerWaalsContact C-N 3.3Å; A531-A533 PolarHBondContact O-N 3.46Å; A531-V535 HydrophobicContact CB-CG2 3.7Å; A531-F550 HydrophobicContact CB-CE2 3.78Å; A531-F550 HydrophobicContact CB-CZ 4.02Å
532	K	92.3	Very high	96.6	Very high	186 Å²	186	49 Å²	49	81%	0.809	27%	0.269	S	S	*	.	S	Bend	trans	-78.7	-14.9	-178.8	-64.4	-176.9	179.2	-178.5	0	113.9
533	A	96.9	Very high	96.6	Very high	24 Å²	24	48.7 Å²	48.7	20%	0.198	27%	0.274	C	S	.	.	S	Bend	trans	-158.2	178.2	178	0	0	0	0	0	109.4	A513 A531 V535 A553 D554	A513-A533 WeakPolarHBondContact CB-O 3.37Å; A531-A533 VanDerWaalsContact C-N 3.3Å; A531-A533 PolarHBondContact O-N 3.46Å; A533-V535 PolarHBondContact O-N 3.41Å; A533-A553 HydrophobicContact CB-CB 3.91Å; A533-D554 HydrophobicContact CB-CB 4.38Å
534	N	97.8	Very high	96.5	Very high	62 Å²	62	44.7 Å²	44.7	33%	0.332	25%	0.254	S	S	.	.			trans	-47.9	136.2	179.2	-53.2	34	0	0	0	112	D511 A553	D511-N534 PolarHBondContact OD1-ND2 3.29Å; N534-A553 HydrophobicContact CB-CB 4.01Å; N534-A553 WeakPolarHBondContact O-CB 3.38Å; N534-A553 PolarHBondContact O-N 3.27Å
535	V	98.4	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118	177	-176.6	0	0	0	0	109.3	S510 V515 A531 A533 V538 F550	S510-V535 PolarHBondContact O-N 3.02Å; V515-V535 HydrophobicContact CG2-CB 4.45Å; V515-V535 HydrophobicContact CG2-CG1 4.03Å; V515-V535 HydrophobicContact CG2-CG2 3.92Å; A531-V535 HydrophobicContact CB-CG2 3.7Å; A533-V535 PolarHBondContact O-N 3.41Å; V535-V538 HydrophobicContact CG1-CG1 3.89Å; V535-F550 HydrophobicContact CG1-CB 3.95Å; V535-F550 HydrophobicContact CG1-CD2 3.96Å; V535-F550 HydrophobicContact CG1-CG 4.24Å; V535-F550 HydrophobicContact CG2-CD2 4.13Å; V535-F550 HydrophobicContact CG2-CE2 4.2Å
536	C	97.9	Very high	96.5	Very high	13 Å²	13	47.1 Å²	47.1	9%	0.088	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-25.8	-174.8	-61.2	0	0	0	0	113	W494 G551 V579 F622	W494-C536 VanDerWaalsContact CB-O 3.27Å; W494-C536 WeakPolarHBondContact CB-O 3.4Å; C536-G551 PolarHBondContact N-O 3.4Å; C536-V579 VanDerWaalsContact CB-O 3.32Å; C536-V579 WeakPolarHBondContact CB-O 3.3Å; C536-F622 HydrophobicContact CB-CE1 4.11Å; C536-F622 HydrophobicContact CB-CZ 4.15Å
537	C	97.8	Very high	96.5	Very high	5 Å²	5	46 Å²	46	3%	0.034	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147	179	54.8	0	0	0	0	112.1	F550 G551 Y581 A582	C537-F550 CarbonylContact O-C 3.57Å; C537-F550 WeakPolarHBondContact O-CA 3.43Å; C537-F550 WeakPolarHBondContact O-CB 3.33Å; C537-G551 PolarHBondContact O-N 3.23Å; C537-G551 WeakPolarHBondContact SG-CA 3.4Å; C537-G551 PolarHBondContact SG-N 3.5Å; C537-Y581 WeakPolarHBondContact SG-CA 3.31Å; C537-A582 PolarHBondContact SG-N 3.26Å
538	V	98.3	Very high	96.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.7	172	-61.5	0	0	0	0	109.8	S495 D497 A507 V515 V535 F550	S495-V538 PolarHBondContact OG-N 2.83Å; S495-V538 PolarHBondContact OG-O 3.05Å; D497-V538 HydrophobicContact CB-CG2 4.35Å; A507-V538 HydrophobicContact CB-CG2 4.4Å; V515-V538 HydrophobicContact CG1-CG1 4.06Å; V515-V538 HydrophobicContact CG2-CG1 4.09Å; V535-V538 HydrophobicContact CG1-CG1 3.89Å; V538-F550 HydrophobicContact CG1-CB 3.95Å
539	K	98.2	Very high	96.6	Very high	35 Å²	35	42.3 Å²	42.3	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	135.6	173.7	-96.5	-76.6	147.6	-169.5	0	111.2	D497 A549 A582 K583 F584	D497-K539 VanDerWaalsContact CG-CE 3.49Å; D497-K539 VanDerWaalsContact CG-NZ 3.25Å; D497-K539 VanDerWaalsContact OD1-CE 3.29Å; D497-K539 WeakPolarHBondContact OD1-CE 3.23Å; D497-K539 IonicContact OD1-NZ 3.97Å; D497-K539 PolarHBondContact OD1-NZ 2.93Å; D497-K539 WeakPolarHBondContact OD2-CA 3.22Å; D497-K539 VanDerWaalsContact OD2-CD 3.27Å; D497-K539 WeakPolarHBondContact OD2-CD 3.43Å; D497-K539 WeakPolarHBondContact OD2-CE 3.25Å; D497-K539 IonicContact OD2-NZ 2.7Å; D497-K539 PolarHBondContact OD2-NZ 3.1Å; K539-A549 PolarHBondContact N-O 3.31Å; K539-A549 PolarHBondContact O-N 3.3Å; K539-A582 WeakPolarHBondContact CG-O 3.27Å; K539-K583 HydrophobicContact CD-CD 4.15Å; K539-K583 HydrophobicContact CG-CD 4.16Å; K539-F584 HydrophobicContact CB-CD2 4.27Å; K539-F584 HydrophobicContact CB-CE2 4.35Å
540	F	98.1	Very high	96.6	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	151.8	167	-78.3	-86.5	0	0	0	111.9	D497 F498 N499 L505 A507 L517 L548 L562 F584	D497-F540 HydrophobicContact CB-CD2 4.33Å; D497-F540 WeakPolarHBondContact O-CE2 3.28Å; D497-F540 PolarHBondContact OD2-N 3.32Å; F498-F540 WeakPolarHBondContact O-CD2 3.24Å; N499-F540 HydrophobicContact CB-CD1 3.82Å; N499-F540 HydrophobicContact CB-CD2 4Å; N499-F540 HydrophobicContact CB-CE1 3.77Å; N499-F540 HydrophobicContact CB-CE2 3.95Å; N499-F540 HydrophobicContact CB-CG 3.93Å; N499-F540 HydrophobicContact CB-CZ 3.85Å; N499-F540 WeakPolarHBondContact ND2-CE1 3.34Å; L505-F540 HydrophobicContact CD2-CE1 3.78Å; L505-F540 HydrophobicContact CD2-CZ 3.82Å; L505-F540 HydrophobicContact CG-CZ 4.13Å; A507-F540 HydrophobicContact CB-CD2 4.49Å; A507-F540 HydrophobicContact CB-CE2 3.53Å; A507-F540 HydrophobicContact CB-CZ 3.8Å; L517-F540 HydrophobicContact CD2-CZ 4.4Å; F540-L548 HydrophobicContact CD1-CD1 4.5Å; F540-L548 HydrophobicContact CE1-CD1 4.18Å; F540-L548 HydrophobicContact CE2-CD1 4.3Å; F540-L548 HydrophobicContact CZ-CD1 4.07Å; F540-L562 HydrophobicContact CD1-CD1 4.47Å; F540-L562 HydrophobicContact CE1-CD1 3.61Å; F540-L562 HydrophobicContact CZ-CD1 4.33Å; F540-F584 WeakPolarHBondContact O-CD2 3.37Å; F540-F584 WeakPolarHBondContact O-CE2 3.23Å
541	S	96.4	Very high	96.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	134.3	169.2	179.6	0	0	0	0	110.6	S543 H547	S541-S543 PolarHBondContact O-N 2.87Å; S541-S543 PolarHBondContact OG-N 3.41Å; S541-H547 PolarHBondContact N-O 2.89Å
542	P	93.6	Very high	96.8	Very high	51 Å²	51	34.2 Å²	34.2	33%	0.331	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15	174.9	29.3	-35.8	0	0	0	113.2	L500 F584	L500-P542 HydrophobicContact CD1-CB 3.89Å; P542-F584 HydrophobicContact CG-CB 4.08Å
543	S	94.3	Very high	97	Very high	79 Å²	79	26.7 Å²	26.7	55%	0.552	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-4.9	-174.4	-53.4	0	0	0	0	114.2	S541 G587	S541-S543 PolarHBondContact O-N 2.87Å; S541-S543 PolarHBondContact OG-N 3.41Å; S543-G587 VanDerWaalsContact OG-CA 3.24Å; S543-G587 WeakPolarHBondContact OG-CA 3.5Å
544	S	95.3	Very high	97	Very high	23 Å²	23	27.7 Å²	27.7	16%	0.161	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	120.5	-179.2	174.5	0	0	0	0	112.4	Y546 H547	S544-Y546 PolarHBondContact O-N 3.46Å; S544-Y546 PolarHBondContact OG-N 3.18Å; S544-H547 WeakPolarHBondContact CB-ND1 3.36Å; S544-H547 PolarHBondContact O-N 3.4Å; S544-H547 VanDerWaalsContact O-N 3.14Å; S544-H547 PolarHBondContact OG-ND1 3.41Å
545	R	95.8	Very high	97	Very high	102 Å²	102	28.5 Å²	28.5	39%	0.385	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-13.5	173.8	72.1	-173.4	-73.3	-148.7	3.1	114.5	N499 M501 D502	N499-R545 PolarHBondContact ND2-O 3.26Å; N499-R545 WeakPolarHBondContact OD1-CA 3.33Å; M501-R545 HydrophobicContact CB-CB 3.68Å; D502-R545 HydrophobicContact CB-CB 4.37Å; D502-R545 IonicContact OD2-CZ 2.93Å; D502-R545 IonicContact OD2-NE 2.74Å; D502-R545 PolarHBondContact OD2-NE 2.95Å; D502-R545 IonicContact OD2-NH2 3.58Å; D502-R545 PolarHBondContact OD2-NH2 2.8Å
546	Y	96.2	Very high	96.9	Very high	90 Å²	90	29.2 Å²	29.2	35%	0.353	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-4.5	-177.8	-57	-67.3	0	0	0	113.3	S544 D561 L562 R563	S544-Y546 PolarHBondContact O-N 3.46Å; S544-Y546 PolarHBondContact OG-N 3.18Å; Y546-D561 CarbonylContact O-C 3.5Å; Y546-D561 WeakPolarHBondContact O-CA 3.32Å; Y546-L562 WeakPolarHBondContact O-CG 3.3Å; Y546-L562 PolarHBondContact O-N 3.31Å; Y546-R563 HydrophobicContact CD1-CG 3.64Å; Y546-R563 HydrophobicContact CE1-CG 4.17Å; Y546-R563 HydrophobicContact CG-CG 3.98Å
547	H	97.1	Very high	96.9	Very high	44 Å²	44	28.6 Å²	28.6	20%	0.204	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.8	-176.4	-63.3	165.7	0	0	0	111.2	S541 S544 Y559 Y560	S541-H547 PolarHBondContact N-O 2.89Å; S544-H547 WeakPolarHBondContact CB-ND1 3.36Å; S544-H547 PolarHBondContact O-N 3.4Å; S544-H547 VanDerWaalsContact O-N 3.14Å; S544-H547 PolarHBondContact OG-ND1 3.41Å; H547-Y559 HydrophobicContact CB-CE2 3.85Å; H547-Y559 WeakPolarHBondContact CB-OH 3.26Å; H547-Y559 AromaticContact CG-CZ 3.98Å; H547-Y559 VanDerWaalsContact CG-OH 3.31Å; H547-Y559 PolarHBondContact ND1-OH 3.06Å; H547-Y560 WeakPolarHBondContact CA-O 3.23Å
548	L	97.5	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.4	-179.4	-177.5	149	0	0	0	110.1	A507 V515 L517 F540 F550 Y559 Y560 L562	A507-L548 HydrophobicContact CB-CD1 3.49Å; A507-L548 VanDerWaalsContact CB-CD1 3.49Å; V515-L548 HydrophobicContact CG1-CD1 4.5Å; V515-L548 HydrophobicContact CG1-CD2 4.39Å; L517-L548 HydrophobicContact CD2-CD1 4.21Å; F540-L548 HydrophobicContact CD1-CD1 4.5Å; F540-L548 HydrophobicContact CE1-CD1 4.18Å; F540-L548 HydrophobicContact CE2-CD1 4.3Å; F540-L548 HydrophobicContact CZ-CD1 4.07Å; L548-F550 HydrophobicContact CD2-CB 4.25Å; L548-F550 HydrophobicContact CD2-CD1 3.85Å; L548-Y559 WeakPolarHBondContact O-CA 3.45Å; L548-Y560 PolarHBondContact N-O 2.9Å; L548-Y560 VanDerWaalsContact N-O 3.13Å; L548-Y560 PolarHBondContact O-N 3.34Å; L548-L562 HydrophobicContact CB-CD1 4.37Å; L548-L562 HydrophobicContact CB-CD2 3.95Å; L548-L562 HydrophobicContact CB-CG 4.33Å; L548-L562 HydrophobicContact CD1-CD2 4.42Å
549	A	97.9	Very high	96.8	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.7	170.3	0	0	0	0	0	110.3	K539 V557 H558 Y559 F584 I590	K539-A549 PolarHBondContact N-O 3.31Å; K539-A549 PolarHBondContact O-N 3.3Å; A549-V557 HydrophobicContact CB-CG1 4.37Å; A549-H558 CarbonylContact C-O 3.56Å; A549-H558 WeakPolarHBondContact CA-O 3.26Å; A549-Y559 HydrophobicContact CB-CD2 4.24Å; A549-F584 HydrophobicContact CB-CE2 3.7Å; A549-F584 HydrophobicContact CB-CZ 3.69Å; A549-I590 HydrophobicContact CB-CD1 4.05Å
550	F	98.1	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.4	171.3	68.4	-102.8	0	0	0	112.8	V515 A531 V535 C537 V538 L548 C552 V557 H558 Y560	V515-F550 HydrophobicContact CG2-CB 4.37Å; V515-F550 HydrophobicContact CG2-CD1 3.77Å; V515-F550 HydrophobicContact CG2-CD2 4.35Å; V515-F550 HydrophobicContact CG2-CE1 3.97Å; V515-F550 HydrophobicContact CG2-CG 3.96Å; V515-F550 HydrophobicContact CG2-CZ 4.35Å; A531-F550 HydrophobicContact CB-CE2 3.78Å; A531-F550 HydrophobicContact CB-CZ 4.02Å; V535-F550 HydrophobicContact CG1-CB 3.95Å; V535-F550 HydrophobicContact CG1-CD2 3.96Å; V535-F550 HydrophobicContact CG1-CG 4.24Å; V535-F550 HydrophobicContact CG2-CD2 4.13Å; V535-F550 HydrophobicContact CG2-CE2 4.2Å; C537-F550 CarbonylContact O-C 3.57Å; C537-F550 WeakPolarHBondContact O-CA 3.43Å; C537-F550 WeakPolarHBondContact O-CB 3.33Å; V538-F550 HydrophobicContact CG1-CB 3.95Å; L548-F550 HydrophobicContact CD2-CB 4.25Å; L548-F550 HydrophobicContact CD2-CD1 3.85Å; F550-C552 HydrophobicContact CD2-CB 4.38Å; F550-C552 HydrophobicContact CE2-CB 4.34Å; F550-V557 WeakPolarHBondContact O-CA 3.34Å; F550-H558 HydrophobicContact CD1-CB 4.19Å; F550-H558 HydrophobicContact CD2-CB 4.06Å; F550-H558 HydrophobicContact CE1-CB 3.87Å; F550-H558 HydrophobicContact CE2-CB 3.7Å; F550-H558 AromaticContact CE2-CD2 3.74Å; F550-H558 AromaticContact CE2-CG 3.77Å; F550-H558 HydrophobicContact CG-CB 4.3Å; F550-H558 HydrophobicContact CZ-CB 3.61Å; F550-H558 AromaticContact CZ-CG 3.93Å; F550-H558 PolarHBondContact N-O 3.01Å; F550-H558 PolarHBondContact O-N 2.92Å; F550-Y560 HydrophobicContact CD1-CD2 4.21Å; F550-Y560 HydrophobicContact CD1-CE2 4.49Å; F550-Y560 AromaticContact CE1-CD2 3.46Å; F550-Y560 HydrophobicContact CE1-CD2 3.46Å; F550-Y560 VanDerWaalsContact CE1-CD2 3.46Å; F550-Y560 AromaticContact CE1-CE2 3.39Å; F550-Y560 HydrophobicContact CE1-CE2 3.39Å; F550-Y560 HydrophobicContact CZ-CD2 4.21Å; F550-Y560 AromaticContact CZ-CE2 3.68Å; F550-Y560 HydrophobicContact CZ-CE2 3.68Å
551	G	97.8	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129	174.2	0	0	0	0	0	110.6	C536 C537	C536-G551 PolarHBondContact N-O 3.4Å; C537-G551 PolarHBondContact O-N 3.23Å; C537-G551 WeakPolarHBondContact SG-CA 3.4Å; C537-G551 PolarHBondContact SG-N 3.5Å
552	C	97.1	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.4	-171.8	-174.9	0	0	0	0	111.4	F550 D554 H555 C556 V579	F550-C552 HydrophobicContact CD2-CB 4.38Å; F550-C552 HydrophobicContact CE2-CB 4.34Å; C552-D554 VanDerWaalsContact CB-OD1 3.23Å; C552-D554 WeakPolarHBondContact CB-OD1 3.23Å; C552-D554 PolarHBondContact O-N 3.34Å; C552-D554 PolarHBondContact SG-N 2.89Å; C552-D554 PolarHBondContact SG-OD1 3.05Å; C552-D554 VanDerWaalsContact SG-OD1 3.39Å; C552-H555 PolarHBondContact O-N 2.97Å; C552-C556 PolarHBondContact N-O 3.01Å; C552-C556 VanDerWaalsContact N-O 3.13Å; C552-V579 PolarHBondContact O-N 3.49Å
553	A	97.2	Very high	96.7	Very high	29 Å²	29	36 Å²	36	24%	0.24	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.7	171.6	0	0	0	0	0	113.2	A533 N534 H555 A578	A533-A553 HydrophobicContact CB-CB 3.91Å; N534-A553 HydrophobicContact CB-CB 4.01Å; N534-A553 WeakPolarHBondContact O-CB 3.38Å; N534-A553 PolarHBondContact O-N 3.27Å; A553-H555 PolarHBondContact O-CE1 3.05Å; A553-H555 VanDerWaalsContact O-CE1 3.32Å; A553-H555 PolarHBondContact O-N 3.33Å; A553-H555 VanDerWaalsContact O-N 3.14Å; A553-H555 PolarHBondContact O-ND1 3.1Å; A553-A578 HydrophobicContact CB-CB 4.31Å
554	D	96.5	Very high	96.6	Very high	44 Å²	44	35.9 Å²	35.9	24%	0.235	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	12	171.2	74	7.5	0	0	0	114.8	A533 C552 C556 H558	A533-D554 HydrophobicContact CB-CB 4.38Å; C552-D554 VanDerWaalsContact CB-OD1 3.23Å; C552-D554 WeakPolarHBondContact CB-OD1 3.23Å; C552-D554 PolarHBondContact O-N 3.34Å; C552-D554 PolarHBondContact SG-N 2.89Å; C552-D554 PolarHBondContact SG-OD1 3.05Å; C552-D554 VanDerWaalsContact SG-OD1 3.39Å; D554-C556 PolarHBondContact O-N 3.32Å; D554-C556 PolarHBondContact O-SG 3.34Å; D554-C556 VanDerWaalsContact OD1-CB 3.28Å; D554-C556 WeakPolarHBondContact OD1-CB 3.26Å; D554-C556 PolarHBondContact OD1-N 3.17Å; D554-C556 VanDerWaalsContact OD1-N 3.12Å; D554-H558 VanDerWaalsContact CG-NE2 3.35Å; D554-H558 IonicContact OD1-CD2 3.2Å; D554-H558 IonicContact OD1-NE2 3.49Å; D554-H558 PolarHBondContact OD1-NE2 2.83Å; D554-H558 IonicContact OD2-CE1 3.87Å; D554-H558 PolarHBondContact OD2-CE1 2.93Å; D554-H558 VanDerWaalsContact OD2-CE1 3.25Å; D554-H558 IonicContact OD2-NE2 3.47Å; D554-H558 PolarHBondContact OD2-NE2 2.93Å
555	H	96.9	Very high	96.5	Very high	79 Å²	79	37 Å²	37	37%	0.366	17%	0.172	S	C	.	.	S	Bend	trans	69.5	13.6	175.6	-43.5	2.9	0	0	0	113.9	C552 A553 R576 K577 A578	C552-H555 PolarHBondContact O-N 2.97Å; A553-H555 PolarHBondContact O-CE1 3.05Å; A553-H555 VanDerWaalsContact O-CE1 3.32Å; A553-H555 PolarHBondContact O-N 3.33Å; A553-H555 VanDerWaalsContact O-N 3.14Å; A553-H555 PolarHBondContact O-ND1 3.1Å; H555-R576 VanDerWaalsContact CD2-C 3.44Å; H555-R576 PolarHBondContact CD2-O 2.9Å; H555-K577 WeakPolarHBondContact CA-O 3.4Å; H555-K577 VanDerWaalsContact CB-O 3.29Å; H555-K577 WeakPolarHBondContact CB-O 3.46Å; H555-K577 VanDerWaalsContact CG-C 3.4Å; H555-K577 VanDerWaalsContact ND1-C 3.32Å; H555-A578 PolarHBondContact ND1-N 2.82Å
556	C	96.5	Very high	96.3	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.101	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	155.7	177.3	-52.1	0	0	0	0	112	C552 D554 V571 F572	C552-C556 PolarHBondContact N-O 3.01Å; C552-C556 VanDerWaalsContact N-O 3.13Å; D554-C556 PolarHBondContact O-N 3.32Å; D554-C556 PolarHBondContact O-SG 3.34Å; D554-C556 VanDerWaalsContact OD1-CB 3.28Å; D554-C556 WeakPolarHBondContact OD1-CB 3.26Å; D554-C556 PolarHBondContact OD1-N 3.17Å; D554-C556 VanDerWaalsContact OD1-N 3.12Å; C556-V571 HydrophobicContact CB-CG1 3.68Å; C556-F572 VanDerWaalsContact CA-O 3.28Å; C556-F572 WeakPolarHBondContact CA-O 3.38Å; C556-F572 WeakPolarHBondContact CB-O 3.35Å
557	V	97.7	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.4	157.9	178.5	0	0	0	0	107.5	A549 F550 F572 V579 A582	A549-V557 HydrophobicContact CB-CG1 4.37Å; F550-V557 WeakPolarHBondContact O-CA 3.34Å; V557-F572 HydrophobicContact CB-CB 4.18Å; V557-F572 HydrophobicContact CB-CD2 3.97Å; V557-F572 HydrophobicContact CG1-CD2 4.01Å; V557-F572 PolarHBondContact N-O 3.04Å; V557-F572 PolarHBondContact O-N 3.32Å; V557-V579 HydrophobicContact CG2-CG1 3.89Å; V557-V579 HydrophobicContact CG2-CG2 4.36Å; V557-A582 HydrophobicContact CG1-CB 4.43Å; V557-A582 HydrophobicContact CG2-CB 4.47Å
558	H	97.3	Very high	96	Very high	10 Å²	10	43 Å²	43	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.1	175.7	-61.3	-105.9	0	0	0	109.2	A549 F550 D554 Y560	A549-H558 CarbonylContact C-O 3.56Å; A549-H558 WeakPolarHBondContact CA-O 3.26Å; F550-H558 HydrophobicContact CD1-CB 4.19Å; F550-H558 HydrophobicContact CD2-CB 4.06Å; F550-H558 HydrophobicContact CE1-CB 3.87Å; F550-H558 HydrophobicContact CE2-CB 3.7Å; F550-H558 AromaticContact CE2-CD2 3.74Å; F550-H558 AromaticContact CE2-CG 3.77Å; F550-H558 HydrophobicContact CG-CB 4.3Å; F550-H558 HydrophobicContact CZ-CB 3.61Å; F550-H558 AromaticContact CZ-CG 3.93Å; F550-H558 PolarHBondContact N-O 3.01Å; F550-H558 PolarHBondContact O-N 2.92Å; D554-H558 VanDerWaalsContact CG-NE2 3.35Å; D554-H558 IonicContact OD1-CD2 3.2Å; D554-H558 IonicContact OD1-NE2 3.49Å; D554-H558 PolarHBondContact OD1-NE2 2.83Å; D554-H558 IonicContact OD2-CE1 3.87Å; D554-H558 PolarHBondContact OD2-CE1 2.93Å; D554-H558 VanDerWaalsContact OD2-CE1 3.25Å; D554-H558 IonicContact OD2-NE2 3.47Å; D554-H558 PolarHBondContact OD2-NE2 2.93Å; H558-Y560 HydrophobicContact CB-CD2 4.22Å; H558-Y560 HydrophobicContact CB-CE2 3.95Å
559	Y	97.5	Very high	95.9	Very high	6 Å²	6	46.9 Å²	46.9	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125	-179.5	178.4	-113.9	0	0	0	110	H547 L548 A549 P568 I569 M570 F572 F584 I590 V604	H547-Y559 HydrophobicContact CB-CE2 3.85Å; H547-Y559 WeakPolarHBondContact CB-OH 3.26Å; H547-Y559 AromaticContact CG-CZ 3.98Å; H547-Y559 VanDerWaalsContact CG-OH 3.31Å; H547-Y559 PolarHBondContact ND1-OH 3.06Å; L548-Y559 WeakPolarHBondContact O-CA 3.45Å; A549-Y559 HydrophobicContact CB-CD2 4.24Å; Y559-P568 CarbonylContact O-C 3.53Å; Y559-I569 HydrophobicContact CD1-CB 3.98Å; Y559-I569 HydrophobicContact CD1-CD1 3.74Å; Y559-I569 HydrophobicContact CD1-CG1 4.41Å; Y559-I569 HydrophobicContact CD1-CG2 4.43Å; Y559-I569 HydrophobicContact CE1-CB 4.43Å; Y559-I569 HydrophobicContact CE1-CD1 3.53Å; Y559-I569 PolarHBondContact O-N 3.48Å; Y559-M570 HydrophobicContact CD1-CB 4.47Å; Y559-M570 PolarHBondContact N-O 2.89Å; Y559-M570 PolarHBondContact O-N 3.01Å; Y559-F572 HydrophobicContact CG-CE2 4.48Å; Y559-F584 HydrophobicContact CD2-CZ 4.21Å; Y559-F584 HydrophobicContact CE2-CE1 4.06Å; Y559-F584 AromaticContact CE2-CZ 3.84Å; Y559-F584 HydrophobicContact CE2-CZ 3.84Å; Y559-I590 HydrophobicContact CD2-CD1 4.19Å; Y559-V604 HydrophobicContact CD1-CG1 4.14Å; Y559-V604 HydrophobicContact CE1-CB 4.5Å; Y559-V604 HydrophobicContact CE1-CG1 3.36Å; Y559-V604 HydrophobicContact CE1-CG2 4.43Å
560	Y	97.2	Very high	95.7	Very high	17 Å²	17	48.8 Å²	48.8	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.8	-166.8	-88.7	-95	0	0	0	112.7	I529 H547 L548 F550 H558 T565 Q567 P568	I529-Y560 HydrophobicContact CD1-CD1 4.25Å; I529-Y560 HydrophobicContact CD1-CG 4.21Å; I529-Y560 HydrophobicContact CG2-CD1 4.27Å; I529-Y560 HydrophobicContact CG2-CE1 3.75Å; I529-Y560 HydrophobicContact CG2-CE2 4.21Å; H547-Y560 WeakPolarHBondContact CA-O 3.23Å; L548-Y560 PolarHBondContact N-O 2.9Å; L548-Y560 VanDerWaalsContact N-O 3.13Å; L548-Y560 PolarHBondContact O-N 3.34Å; F550-Y560 HydrophobicContact CD1-CD2 4.21Å; F550-Y560 HydrophobicContact CD1-CE2 4.49Å; F550-Y560 AromaticContact CE1-CD2 3.46Å; F550-Y560 HydrophobicContact CE1-CD2 3.46Å; F550-Y560 VanDerWaalsContact CE1-CD2 3.46Å; F550-Y560 AromaticContact CE1-CE2 3.39Å; F550-Y560 HydrophobicContact CE1-CE2 3.39Å; F550-Y560 HydrophobicContact CZ-CD2 4.21Å; F550-Y560 AromaticContact CZ-CE2 3.68Å; F550-Y560 HydrophobicContact CZ-CE2 3.68Å; H558-Y560 HydrophobicContact CB-CD2 4.22Å; H558-Y560 HydrophobicContact CB-CE2 3.95Å; Y560-T565 WeakPolarHBondContact CE1-O 3.22Å; Y560-Q567 WeakPolarHBondContact CE1-O 3.18Å; Y560-P568 HydrophobicContact CD2-CB 4.06Å; Y560-P568 HydrophobicContact CE1-CB 4.3Å; Y560-P568 HydrophobicContact CE2-CB 3.7Å; Y560-P568 HydrophobicContact CE2-CG 4.49Å
561	D	96.4	Very high	95.6	Very high	26 Å²	26	51.1 Å²	51.1	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.9	159.4	-169.7	-21.9	0	0	0	108.5	Y546 R563 N564 I569	Y546-D561 CarbonylContact O-C 3.5Å; Y546-D561 WeakPolarHBondContact O-CA 3.32Å; D561-R563 PolarHBondContact O-N 3.44Å; D561-R563 VanDerWaalsContact O-N 3.14Å; D561-R563 WeakPolarHBondContact OD1-CB 3.32Å; D561-R563 VanDerWaalsContact OD1-CG 3.23Å; D561-R563 WeakPolarHBondContact OD1-CG 3.44Å; D561-R563 IonicContact OD1-CZ 2.72Å; D561-R563 PolarHBondContact OD1-N 3.19Å; D561-R563 IonicContact OD1-NE 2.79Å; D561-R563 PolarHBondContact OD1-NE 2.84Å; D561-R563 IonicContact OD1-NH2 2.69Å; D561-R563 IonicContact OD2-CZ 3.21Å; D561-R563 IonicContact OD2-NE 3.58Å; D561-R563 PolarHBondContact OD2-NE 2.67Å; D561-R563 IonicContact OD2-NH2 3.47Å; D561-R563 PolarHBondContact OD2-NH2 3.47Å; D561-N564 CarbonylContact O-C 3.43Å; D561-N564 VanDerWaalsContact O-C 3.24Å; D561-N564 PolarHBondContact O-N 3Å; D561-I569 HydrophobicContact CB-CD1 3.96Å; D561-I569 HydrophobicContact CB-CG1 4.12Å
562	L	95	Very high	95.6	Very high	26 Å²	26	51.1 Å²	51.1	14%	0.136	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.3	179.3	-55.9	-177.2	0	0	0	112.6	L505 L517 I529 F540 Y546 L548 N564	L505-L562 HydrophobicContact CD2-CD1 4.11Å; L517-L562 HydrophobicContact CD1-CB 4.31Å; L517-L562 HydrophobicContact CD1-CD1 3.9Å; L517-L562 HydrophobicContact CD1-CD2 4.11Å; L517-L562 HydrophobicContact CD1-CG 4.32Å; L517-L562 HydrophobicContact CD2-CD1 4.1Å; L517-L562 HydrophobicContact CD2-CD2 4.29Å; I529-L562 HydrophobicContact CD1-CD2 3.93Å; F540-L562 HydrophobicContact CD1-CD1 4.47Å; F540-L562 HydrophobicContact CE1-CD1 3.61Å; F540-L562 HydrophobicContact CZ-CD1 4.33Å; Y546-L562 WeakPolarHBondContact O-CG 3.3Å; Y546-L562 PolarHBondContact O-N 3.31Å; L548-L562 HydrophobicContact CB-CD1 4.37Å; L548-L562 HydrophobicContact CB-CD2 3.95Å; L548-L562 HydrophobicContact CB-CG 4.33Å; L548-L562 HydrophobicContact CD1-CD2 4.42Å; L562-N564 VanDerWaalsContact C-N 3.34Å
563	R	95	Very high	95.5	Very high	166 Å²	166	58.3 Å²	58.3	63%	0.626	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.4	170.4	-55.4	172.9	-65.7	-178.8	2.6	112.9	Y546 D561	Y546-R563 HydrophobicContact CD1-CG 3.64Å; Y546-R563 HydrophobicContact CE1-CG 4.17Å; Y546-R563 HydrophobicContact CG-CG 3.98Å; D561-R563 PolarHBondContact O-N 3.44Å; D561-R563 VanDerWaalsContact O-N 3.14Å; D561-R563 WeakPolarHBondContact OD1-CB 3.32Å; D561-R563 VanDerWaalsContact OD1-CG 3.23Å; D561-R563 WeakPolarHBondContact OD1-CG 3.44Å; D561-R563 IonicContact OD1-CZ 2.72Å; D561-R563 PolarHBondContact OD1-N 3.19Å; D561-R563 IonicContact OD1-NE 2.79Å; D561-R563 PolarHBondContact OD1-NE 2.84Å; D561-R563 IonicContact OD1-NH2 2.69Å; D561-R563 IonicContact OD2-CZ 3.21Å; D561-R563 IonicContact OD2-NE 3.58Å; D561-R563 PolarHBondContact OD2-NE 2.67Å; D561-R563 IonicContact OD2-NH2 3.47Å; D561-R563 PolarHBondContact OD2-NH2 3.47Å
564	N	93.5	Very high	95.3	Very high	76 Å²	76	59 Å²	59	41%	0.406	29%	0.293	S	S	.	.			trans	-145.3	77.9	176.8	-177	18.2	0	0	0	111.5	D561 L562 K566	D561-N564 CarbonylContact O-C 3.43Å; D561-N564 VanDerWaalsContact O-C 3.24Å; D561-N564 PolarHBondContact O-N 3Å; L562-N564 VanDerWaalsContact C-N 3.34Å; N564-K566 PolarHBondContact O-N 2.7Å; N564-K566 VanDerWaalsContact O-N 3.1Å
565	T	92.5	Very high	95.3	Very high	46 Å²	46	57.6 Å²	57.6	28%	0.282	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-1.1	-178.6	55.2	0	0	0	0	115.1	I529 Y560 Q567	I529-T565 HydrophobicContact CD1-CG2 3.96Å; I529-T565 HydrophobicContact CG1-CG2 3.77Å; Y560-T565 WeakPolarHBondContact CE1-O 3.22Å; T565-Q567 VanDerWaalsContact C-N 3.32Å; T565-Q567 PolarHBondContact O-N 2.84Å
566	K	90.6	Very high	95.3	Very high	193 Å²	193	60.7 Å²	60.7	84%	0.839	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.4	-177.6	-65.8	-174.4	177.6	-177.9	0	114	N564	N564-K566 PolarHBondContact O-N 2.7Å; N564-K566 VanDerWaalsContact O-N 3.1Å
567	Q	91.9	Very high	95.3	Very high	129 Å²	129	63.3 Å²	63.3	60%	0.603	30%	0.303	S	S	*	.	S	Bend	trans	-150.2	145.4	179.8	66.8	-172.9	27.5	0	0	110.3	Y560 T565	Y560-Q567 WeakPolarHBondContact CE1-O 3.18Å; T565-Q567 VanDerWaalsContact C-N 3.32Å; T565-Q567 PolarHBondContact O-N 2.84Å
568	P	95.1	Very high	95.2	Very high	39 Å²	39	64.7 Å²	64.7	25%	0.253	31%	0.314	S	S	.	.			trans	-65.3	150.3	170.2	27.7	-32.3	0	0	0	110.1	Y559 Y560 V571	Y559-P568 CarbonylContact O-C 3.53Å; Y560-P568 HydrophobicContact CD2-CB 4.06Å; Y560-P568 HydrophobicContact CE1-CB 4.3Å; Y560-P568 HydrophobicContact CE2-CB 3.7Å; Y560-P568 HydrophobicContact CE2-CG 4.49Å; P568-V571 HydrophobicContact CB-CG2 3.85Å; P568-V571 HydrophobicContact CG-CG2 3.39Å
569	I	95.3	Very high	95.3	Very high	83 Å²	83	64.2 Å²	64.2	43%	0.426	31%	0.312	S	S	.	.	S	Bend	trans	-67	-48.2	164.6	-50.2	164.3	0	0	0	108.2	Y559 D561	Y559-I569 HydrophobicContact CD1-CB 3.98Å; Y559-I569 HydrophobicContact CD1-CD1 3.74Å; Y559-I569 HydrophobicContact CD1-CG1 4.41Å; Y559-I569 HydrophobicContact CD1-CG2 4.43Å; Y559-I569 HydrophobicContact CE1-CB 4.43Å; Y559-I569 HydrophobicContact CE1-CD1 3.53Å; Y559-I569 PolarHBondContact O-N 3.48Å; D561-I569 HydrophobicContact CB-CD1 3.96Å; D561-I569 HydrophobicContact CB-CG1 4.12Å
570	M	95.6	Very high	95.2	Very high	41 Å²	41	64 Å²	64	20%	0.202	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.4	-177.6	-66.2	-63.7	-79	0	0	111.5	Y559 F572 P607	Y559-M570 HydrophobicContact CD1-CB 4.47Å; Y559-M570 PolarHBondContact N-O 2.89Å; Y559-M570 PolarHBondContact O-N 3.01Å; M570-F572 HydrophobicContact CB-CE1 4.09Å; M570-F572 HydrophobicContact CB-CE2 4.02Å; M570-F572 HydrophobicContact CB-CZ 3.71Å; M570-F572 HydrophobicContact CE-CE1 4.26Å; M570-F572 HydrophobicContact CG-CZ 4.25Å; M570-P607 VanDerWaalsContact CE-CA 3.46Å; M570-P607 HydrophobicContact CE-CB 3.76Å; M570-P607 HydrophobicContact CE-CG 4.49Å
571	V	95.9	Very high	95.3	Very high	49 Å²	49	65.2 Å²	65.2	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	101.5	170.5	-176.7	0	0	0	0	107.9	C556 P568 K573	C556-V571 HydrophobicContact CB-CG1 3.68Å; P568-V571 HydrophobicContact CB-CG2 3.85Å; P568-V571 HydrophobicContact CG-CG2 3.39Å; V571-K573 PolarHBondContact O-N 2.89Å
572	F	96.5	Very high	95.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.3	-177.3	-57.3	-72.6	0	0	0	110.1	C556 V557 Y559 M570 I590 W602 N603 K606	C556-F572 VanDerWaalsContact CA-O 3.28Å; C556-F572 WeakPolarHBondContact CA-O 3.38Å; C556-F572 WeakPolarHBondContact CB-O 3.35Å; V557-F572 HydrophobicContact CB-CB 4.18Å; V557-F572 HydrophobicContact CB-CD2 3.97Å; V557-F572 HydrophobicContact CG1-CD2 4.01Å; V557-F572 PolarHBondContact N-O 3.04Å; V557-F572 PolarHBondContact O-N 3.32Å; Y559-F572 HydrophobicContact CG-CE2 4.48Å; M570-F572 HydrophobicContact CB-CE1 4.09Å; M570-F572 HydrophobicContact CB-CE2 4.02Å; M570-F572 HydrophobicContact CB-CZ 3.71Å; M570-F572 HydrophobicContact CE-CE1 4.26Å; M570-F572 HydrophobicContact CG-CZ 4.25Å; F572-I590 HydrophobicContact CE2-CD1 3.95Å; F572-I590 HydrophobicContact CZ-CD1 4.49Å; F572-W602 HydrophobicContact CB-CD2 3.73Å; F572-W602 HydrophobicContact CB-CE3 3.61Å; F572-W602 HydrophobicContact CB-CG 4.3Å; F572-W602 HydrophobicContact CB-CH2 4.19Å; F572-W602 HydrophobicContact CB-CZ2 4.31Å; F572-W602 HydrophobicContact CB-CZ3 3.84Å; F572-W602 HydrophobicContact CD1-CB 4Å; F572-W602 HydrophobicContact CD1-CD2 4.21Å; F572-W602 AromaticContact CD1-CE3 3.93Å; F572-W602 HydrophobicContact CD1-CE3 3.93Å; F572-W602 HydrophobicContact CD1-CG 4.27Å; F572-W602 HydrophobicContact CE1-CB 4.19Å; F572-W602 HydrophobicContact CG-CB 4.29Å; F572-W602 HydrophobicContact CG-CD2 4.08Å; F572-W602 HydrophobicContact CG-CE3 4.07Å; F572-W602 HydrophobicContact CG-CG 4.18Å; F572-N603 WeakPolarHBondContact CE1-O 3.13Å; F572-K606 WeakPolarHBondContact CE1-O 3.43Å
573	K	95.1	Very high	95.4	Very high	151 Å²	151	64.3 Å²	64.3	66%	0.657	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.8	-175.6	-66.9	-177.4	177.4	-179.1	0	110.9	V571 W602	V571-K573 PolarHBondContact O-N 2.89Å; K573-W602 WeakPolarHBondContact O-CH2 3.32Å; K573-W602 WeakPolarHBondContact O-CZ3 3.3Å
574	G	93.3	Very high	95.5	Very high	43 Å²	43	57.5 Å²	57.5	44%	0.443	29%	0.286	S	S	.	.			trans	155.1	-8	171.1	0	0	0	0	0	117	K600	G574-K600 WeakPolarHBondContact O-CE 3.28Å
575	H	96.6	Very high	95.5	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.065	27%	0.273	C	S	.	.			trans	-77.2	155.1	165.5	-75.1	-73.3	0	0	0	110.9	V579 S592 S594 D596 Q598 K600	H575-V579 HydrophobicContact CB-CG2 4.43Å; H575-S592 PolarHBondContact NE2-OG 2.89Å; H575-S594 WeakPolarHBondContact ND1-CB 3.47Å; H575-D596 WeakPolarHBondContact CA-OD2 3.44Å; H575-D596 IonicContact CE1-OD1 2.72Å; H575-D596 IonicContact CG-OD1 2.8Å; H575-D596 IonicContact ND1-OD1 2.66Å; H575-D596 PolarHBondContact ND1-OD1 2.81Å; H575-D596 IonicContact ND1-OD2 3.22Å; H575-Q598 PolarHBondContact CE1-O 2.92Å; H575-K600 WeakPolarHBondContact ND1-CE 3.44Å
576	R	96.3	Very high	95.4	Very high	144 Å²	144	54.7 Å²	54.7	54%	0.543	27%	0.273	S	S	.	.	S	Bend	trans	-104	-1.5	179.8	-60.2	179.4	-48.8	-51.7	-9.3	114.1	H555 D596 Q598	H555-R576 VanDerWaalsContact CD2-C 3.44Å; H555-R576 PolarHBondContact CD2-O 2.9Å; R576-D596 HydrophobicContact CB-CB 4.09Å; R576-D596 IonicContact CZ-OD2 2.69Å; R576-D596 PolarHBondContact N-OD2 2.91Å; R576-D596 IonicContact NH1-OD2 3.86Å; R576-D596 PolarHBondContact NH1-OD2 3.45Å; R576-D596 PolarHBondContact NH2-O 2.91Å; R576-D596 IonicContact NH2-OD2 3.93Å; R576-Q598 VanDerWaalsContact NH1-NE2 3.17Å
577	K	97.2	Very high	95.5	Very high	71 Å²	71	46.2 Å²	46.2	31%	0.309	24%	0.24	S	C	.	.	S	Bend	trans	-142.5	179.1	172.3	-61.1	-162.4	-156.7	147.7	0	109.6	H555 S594 T595 D596 E619	H555-K577 WeakPolarHBondContact CA-O 3.4Å; H555-K577 VanDerWaalsContact CB-O 3.29Å; H555-K577 WeakPolarHBondContact CB-O 3.46Å; H555-K577 VanDerWaalsContact CG-C 3.4Å; H555-K577 VanDerWaalsContact ND1-C 3.32Å; K577-S594 PolarHBondContact O-OG 3.3Å; K577-T595 WeakPolarHBondContact CB-OG1 3.39Å; K577-T595 WeakPolarHBondContact CD-O 3.37Å; K577-T595 WeakPolarHBondContact CE-O 3.22Å; K577-T595 PolarHBondContact NZ-O 3.39Å; K577-D596 HydrophobicContact CB-CB 4.24Å; K577-D596 HydrophobicContact CG-CB 4.16Å; K577-E619 PolarHBondContact NZ-O 2.9Å
578	A	95.9	Very high	95.5	Very high	28 Å²	28	45.5 Å²	45.5	23%	0.231	24%	0.237	C	C	.	.			trans	-50.5	142.3	176.1	0	0	0	0	0	112.8	A553 H555 S580 S594 T595	A553-A578 HydrophobicContact CB-CB 4.31Å; H555-A578 PolarHBondContact ND1-N 2.82Å; A578-S580 PolarHBondContact O-N 3.39Å; A578-S594 WeakPolarHBondContact O-CA 3.42Å; A578-S594 VanDerWaalsContact O-CB 3.31Å; A578-S594 WeakPolarHBondContact O-CB 3.44Å; A578-S594 PolarHBondContact O-OG 2.82Å; A578-T595 PolarHBondContact O-N 3.13Å
579	V	98	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	104.9	177.1	-178.3	0	0	0	0	109	C536 C552 V557 H575 Y581 A593	C536-V579 VanDerWaalsContact CB-O 3.32Å; C536-V579 WeakPolarHBondContact CB-O 3.3Å; C552-V579 PolarHBondContact O-N 3.49Å; V557-V579 HydrophobicContact CG2-CG1 3.89Å; V557-V579 HydrophobicContact CG2-CG2 4.36Å; H575-V579 HydrophobicContact CB-CG2 4.43Å; V579-Y581 WeakPolarHBondContact CG1-O 3.39Å; V579-A593 CarbonylContact C-O 3.57Å; V579-A593 WeakPolarHBondContact CA-O 3.29Å; V579-A593 WeakPolarHBondContact CG1-O 3.1Å
580	S	97.1	Very high	95.6	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-35	-175.1	50.3	0	0	0	0	113.1	A578 A593	A578-S580 PolarHBondContact O-N 3.39Å; S580-A593 PolarHBondContact N-O 3.36Å; S580-A593 PolarHBondContact OG-O 3.12Å
581	Y	98.1	Very high	95.7	Very high	41 Å²	41	39.1 Å²	39.1	16%	0.161	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.9	176.3	-63.8	-89.5	0	0	0	111.9	C537 V579 S592 A593 F622 G624 L625	C537-Y581 WeakPolarHBondContact SG-CA 3.31Å; V579-Y581 WeakPolarHBondContact CG1-O 3.39Å; Y581-S592 CarbonylContact O-C 3.54Å; Y581-S592 WeakPolarHBondContact O-CA 3.3Å; Y581-S592 WeakPolarHBondContact O-CB 3.49Å; Y581-A593 HydrophobicContact CD2-CB 4.44Å; Y581-A593 PolarHBondContact N-O 3.28Å; Y581-A593 PolarHBondContact O-N 2.75Å; Y581-F622 HydrophobicContact CE2-CB 4.11Å; Y581-F622 AromaticContact CE2-CD1 3.86Å; Y581-F622 HydrophobicContact CE2-CD1 3.86Å; Y581-F622 HydrophobicContact CE2-CG 4.46Å; Y581-G624 VanDerWaalsContact CE2-N 3.29Å; Y581-G624 PolarHBondContact OH-N 3.39Å; Y581-L625 HydrophobicContact CD2-CB 4.28Å; Y581-L625 HydrophobicContact CG-CB 3.92Å
582	A	97.8	Very high	95.8	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.2	164.2	0	0	0	0	0	107.6	C537 K539 V557 I590 V591	C537-A582 PolarHBondContact SG-N 3.26Å; K539-A582 WeakPolarHBondContact CG-O 3.27Å; V557-A582 HydrophobicContact CG1-CB 4.43Å; V557-A582 HydrophobicContact CG2-CB 4.47Å; A582-I590 HydrophobicContact CB-CG2 4.49Å; A582-V591 WeakPolarHBondContact CA-O 3.28Å
583	K	97	Very high	95.9	Very high	30 Å²	30	36.8 Å²	36.8	13%	0.13	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.4	175.3	-65.6	-90.9	-166.5	165.9	0	107.6	E405 K539 V591 L625	E405-K583 IonicContact OE1-NZ 3.17Å; E405-K583 PolarHBondContact OE1-NZ 3.14Å; E405-K583 IonicContact OE2-NZ 2.73Å; K539-K583 HydrophobicContact CD-CD 4.15Å; K539-K583 HydrophobicContact CG-CD 4.16Å; K583-V591 HydrophobicContact CB-CG1 4.3Å; K583-V591 PolarHBondContact N-O 2.83Å; K583-V591 WeakPolarHBondContact O-CG1 3.23Å; K583-V591 PolarHBondContact O-N 3.5Å; K583-V591 VanDerWaalsContact O-O 3.12Å; K583-L625 WeakPolarHBondContact CE-O 3.2Å; K583-L625 HydrophobicContact CG-CD2 4.44Å; K583-L625 HydrophobicContact CG-CG 4.45Å
584	F	96.1	Very high	96	Very high	23 Å²	23	29.6 Å²	29.6	10%	0.101	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.6	170.3	-73.3	-94.3	0	0	0	109.7	K539 F540 P542 A549 Y559 S586 I590	K539-F584 HydrophobicContact CB-CD2 4.27Å; K539-F584 HydrophobicContact CB-CE2 4.35Å; F540-F584 WeakPolarHBondContact O-CD2 3.37Å; F540-F584 WeakPolarHBondContact O-CE2 3.23Å; P542-F584 HydrophobicContact CG-CB 4.08Å; A549-F584 HydrophobicContact CB-CE2 3.7Å; A549-F584 HydrophobicContact CB-CZ 3.69Å; Y559-F584 HydrophobicContact CD2-CZ 4.21Å; Y559-F584 HydrophobicContact CE2-CE1 4.06Å; Y559-F584 AromaticContact CE2-CZ 3.84Å; Y559-F584 HydrophobicContact CE2-CZ 3.84Å; F584-S586 WeakPolarHBondContact CD1-O 3.39Å; F584-I590 HydrophobicContact CD1-CD1 4.42Å; F584-I590 HydrophobicContact CD1-CG1 3.67Å; F584-I590 HydrophobicContact CE1-CD1 3.77Å; F584-I590 HydrophobicContact CE1-CG1 3.53Å; F584-I590 HydrophobicContact CG-CG1 4.37Å; F584-I590 HydrophobicContact CZ-CD1 4.04Å; F584-I590 HydrophobicContact CZ-CG1 4.12Å
585	V	93.7	Very high	96.2	Very high	21 Å²	21	28.5 Å²	28.5	13%	0.127	14%	0.141	C	C	.	.	S	Bend	trans	-91.7	-38.1	169.4	-175.3	0	0	0	0	109.2	E589 V591 L601 G629 K646	V585-E589 HydrophobicContact CB-CB 3.92Å; V585-E589 PolarHBondContact N-O 3.22Å; V585-V591 HydrophobicContact CG2-CB 3.71Å; V585-V591 HydrophobicContact CG2-CG1 3.58Å; V585-L601 HydrophobicContact CG2-CD1 3.88Å; V585-G629 VanDerWaalsContact CG1-O 3.29Å; V585-G629 WeakPolarHBondContact CG1-O 3.44Å; V585-K646 HydrophobicContact CG1-CD 3.96Å
586	S	91.3	Very high	96.1	Very high	41 Å²	41	28 Å²	28	29%	0.287	14%	0.139	S	C	.	.	S	Bend	trans	-149.5	-176.6	172.5	67.3	0	0	0	0	109	F584 E588 E589	F584-S586 WeakPolarHBondContact CD1-O 3.39Å; S586-E588 PolarHBondContact O-N 3.05Å; S586-E588 PolarHBondContact OG-N 3.25Å; S586-E589 PolarHBondContact N-O 2.85Å; S586-E589 WeakPolarHBondContact OG-CB 3.29Å; S586-E589 PolarHBondContact OG-N 3.44Å; S586-E589 PolarHBondContact OG-OE2 3.41Å
587	G	90.9	Very high	96.1	Very high	15 Å²	15	22.3 Å²	22.3	16%	0.155	12%	0.121	C	C	.	.	S	Bend	trans	-59.5	-28	172	0	0	0	0	0	113.8	S543	S543-G587 VanDerWaalsContact OG-CA 3.24Å; S543-G587 WeakPolarHBondContact OG-CA 3.5Å
588	E	92.2	Very high	96.1	Very high	114 Å²	114	20.3 Å²	20.3	53%	0.533	11%	0.113	S	C	.	.	S	Bend	trans	-103.5	-10.8	-174.2	-69.3	-58.9	137.2	0	0	113.9	S586 N603 V604	S586-E588 PolarHBondContact O-N 3.05Å; S586-E588 PolarHBondContact OG-N 3.25Å; E588-N603 CarbonylContact O-C 3.59Å; E588-N603 VanDerWaalsContact O-CA 3.27Å; E588-N603 WeakPolarHBondContact O-CA 3.39Å; E588-N603 PolarHBondContact O-ND2 3.19Å; E588-V604 PolarHBondContact O-N 3.36Å
589	E	95.3	Very high	96.2	Very high	30 Å²	30	19 Å²	19	14%	0.14	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.4	-172.9	-67.1	176.4	117.2	0	0	111.9	V585 S586 L601 W602 K646	V585-E589 HydrophobicContact CB-CB 3.92Å; V585-E589 PolarHBondContact N-O 3.22Å; S586-E589 PolarHBondContact N-O 2.85Å; S586-E589 WeakPolarHBondContact OG-CB 3.29Å; S586-E589 PolarHBondContact OG-N 3.44Å; S586-E589 PolarHBondContact OG-OE2 3.41Å; E589-L601 HydrophobicContact CB-CD1 4.26Å; E589-W602 WeakPolarHBondContact CA-O 3.28Å; E589-K646 WeakPolarHBondContact OE1-CE 3.34Å; E589-K646 IonicContact OE1-NZ 2.83Å; E589-K646 WeakPolarHBondContact OE2-CE 3.34Å; E589-K646 IonicContact OE2-NZ 3.45Å; E589-K646 PolarHBondContact OE2-NZ 3.4Å
590	I	97.4	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.3	175.7	-60.9	168.9	0	0	0	108.3	A549 Y559 F572 A582 F584 L601 W602 V604	A549-I590 HydrophobicContact CB-CD1 4.05Å; Y559-I590 HydrophobicContact CD2-CD1 4.19Å; F572-I590 HydrophobicContact CE2-CD1 3.95Å; F572-I590 HydrophobicContact CZ-CD1 4.49Å; A582-I590 HydrophobicContact CB-CG2 4.49Å; F584-I590 HydrophobicContact CD1-CD1 4.42Å; F584-I590 HydrophobicContact CD1-CG1 3.67Å; F584-I590 HydrophobicContact CE1-CD1 3.77Å; F584-I590 HydrophobicContact CE1-CG1 3.53Å; F584-I590 HydrophobicContact CG-CG1 4.37Å; F584-I590 HydrophobicContact CZ-CD1 4.04Å; F584-I590 HydrophobicContact CZ-CG1 4.12Å; I590-L601 CarbonylContact O-C 3.59Å; I590-L601 WeakPolarHBondContact O-CA 3.24Å; I590-W602 HydrophobicContact CB-CB 4.5Å; I590-W602 PolarHBondContact N-O 2.87Å; I590-W602 PolarHBondContact O-N 3.02Å; I590-V604 HydrophobicContact CD1-CG2 4.17Å; I590-V604 HydrophobicContact CG1-CG2 4.39Å
591	V	98.1	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.9	166.2	61.3	0	0	0	0	110	A582 K583 V585 L599 K600 L625 I632	A582-V591 WeakPolarHBondContact CA-O 3.28Å; K583-V591 HydrophobicContact CB-CG1 4.3Å; K583-V591 PolarHBondContact N-O 2.83Å; K583-V591 WeakPolarHBondContact O-CG1 3.23Å; K583-V591 PolarHBondContact O-N 3.5Å; K583-V591 VanDerWaalsContact O-O 3.12Å; V585-V591 HydrophobicContact CG2-CB 3.71Å; V585-V591 HydrophobicContact CG2-CG1 3.58Å; V591-L599 HydrophobicContact CG2-CB 4.49Å; V591-K600 CarbonylContact C-O 3.59Å; V591-K600 WeakPolarHBondContact CA-O 3.48Å; V591-L625 HydrophobicContact CG1-CD2 4.21Å; V591-L625 HydrophobicContact CG2-CD1 4.32Å; V591-L625 HydrophobicContact CG2-CD2 4.42Å; V591-I632 HydrophobicContact CB-CD1 4.37Å; V591-I632 HydrophobicContact CG2-CD1 4.01Å; V591-I632 HydrophobicContact CG2-CG1 4.41Å; V591-I632 HydrophobicContact CG2-CG2 4Å
592	S	98.1	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.6	174.7	63	0	0	0	0	113	H575 Y581 L599 K600 W602	H575-S592 PolarHBondContact NE2-OG 2.89Å; Y581-S592 CarbonylContact O-C 3.54Å; Y581-S592 WeakPolarHBondContact O-CA 3.3Å; Y581-S592 WeakPolarHBondContact O-CB 3.49Å; S592-L599 CarbonylContact O-C 3.55Å; S592-L599 WeakPolarHBondContact O-CA 3.25Å; S592-K600 PolarHBondContact N-O 2.89Å; S592-K600 PolarHBondContact O-N 2.87Å; S592-W602 PolarHBondContact OG-NE1 3.32Å
593	A	98.1	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.1	170.5	0	0	0	0	0	109.9	V579 S580 Y581 L599 L625	V579-A593 CarbonylContact C-O 3.57Å; V579-A593 WeakPolarHBondContact CA-O 3.29Å; V579-A593 WeakPolarHBondContact CG1-O 3.1Å; S580-A593 PolarHBondContact N-O 3.36Å; S580-A593 PolarHBondContact OG-O 3.12Å; Y581-A593 HydrophobicContact CD2-CB 4.44Å; Y581-A593 PolarHBondContact N-O 3.28Å; Y581-A593 PolarHBondContact O-N 2.75Å; A593-L599 HydrophobicContact CB-CD2 3.42Å; A593-L599 VanDerWaalsContact CB-CD2 3.42Å; A593-L625 HydrophobicContact CB-CB 4.28Å; A593-L625 HydrophobicContact CB-CD1 4.5Å; A593-L625 HydrophobicContact CB-CD2 4Å; A593-L625 HydrophobicContact CB-CG 4.5Å
594	S	97.6	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162	175	175.2	0	0	0	0	109.8	H575 K577 A578 D596 Q598 N618	H575-S594 WeakPolarHBondContact ND1-CB 3.47Å; K577-S594 PolarHBondContact O-OG 3.3Å; A578-S594 WeakPolarHBondContact O-CA 3.42Å; A578-S594 VanDerWaalsContact O-CB 3.31Å; A578-S594 WeakPolarHBondContact O-CB 3.44Å; A578-S594 PolarHBondContact O-OG 2.82Å; S594-D596 VanDerWaalsContact CB-OD1 3.3Å; S594-D596 WeakPolarHBondContact CB-OD1 3.4Å; S594-D596 PolarHBondContact O-N 3.27Å; S594-D596 PolarHBondContact OG-OD1 2.84Å; S594-Q598 PolarHBondContact N-O 2.95Å; S594-N618 PolarHBondContact O-ND2 2.78Å
595	T	96.4	Very high	95.4	Very high	19 Å²	19	20.3 Å²	20.3	12%	0.117	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	20.8	172.1	49.8	0	0	0	0	113.1	K577 A578 N618 E619	K577-T595 WeakPolarHBondContact CB-OG1 3.39Å; K577-T595 WeakPolarHBondContact CD-O 3.37Å; K577-T595 WeakPolarHBondContact CE-O 3.22Å; K577-T595 PolarHBondContact NZ-O 3.39Å; A578-T595 PolarHBondContact O-N 3.13Å; T595-N618 CarbonylContact C-O 3.59Å; T595-N618 WeakPolarHBondContact CA-O 3.49Å; T595-E619 WeakPolarHBondContact O-CA 3.4Å
596	D	96.3	Very high	95.1	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.027	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	22.4	174.9	82.4	-29.1	0	0	0	113.7	H575 R576 K577 S594 Q598	H575-D596 WeakPolarHBondContact CA-OD2 3.44Å; H575-D596 IonicContact CE1-OD1 2.72Å; H575-D596 IonicContact CG-OD1 2.8Å; H575-D596 IonicContact ND1-OD1 2.66Å; H575-D596 PolarHBondContact ND1-OD1 2.81Å; H575-D596 IonicContact ND1-OD2 3.22Å; R576-D596 HydrophobicContact CB-CB 4.09Å; R576-D596 IonicContact CZ-OD2 2.69Å; R576-D596 PolarHBondContact N-OD2 2.91Å; R576-D596 IonicContact NH1-OD2 3.86Å; R576-D596 PolarHBondContact NH1-OD2 3.45Å; R576-D596 PolarHBondContact NH2-O 2.91Å; R576-D596 IonicContact NH2-OD2 3.93Å; K577-D596 HydrophobicContact CB-CB 4.24Å; K577-D596 HydrophobicContact CG-CB 4.16Å; S594-D596 VanDerWaalsContact CB-OD1 3.3Å; S594-D596 WeakPolarHBondContact CB-OD1 3.4Å; S594-D596 PolarHBondContact O-N 3.27Å; S594-D596 PolarHBondContact OG-OD1 2.84Å; D596-Q598 VanDerWaalsContact C-N 3.25Å; D596-Q598 PolarHBondContact O-N 3.44Å
597	S	96.1	Very high	94.7	Very high	24 Å²	24	25 Å²	25	17%	0.168	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	39.1	-175.4	-63.4	0	0	0	0	113.8	N618	S597-N618 PolarHBondContact N-O 3.03Å; S597-N618 PolarHBondContact OG-N 2.79Å; S597-N618 PolarHBondContact OG-O 3.49Å
598	Q	96.3	Very high	94.3	Very high	29 Å²	29	30.7 Å²	30.7	14%	0.136	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.9	176.6	-63.2	-180	16.9	0	0	111.5	H575 R576 S594 D596 F613 K614 H616	H575-Q598 PolarHBondContact CE1-O 2.92Å; R576-Q598 VanDerWaalsContact NH1-NE2 3.17Å; S594-Q598 PolarHBondContact N-O 2.95Å; D596-Q598 VanDerWaalsContact C-N 3.25Å; D596-Q598 PolarHBondContact O-N 3.44Å; Q598-F613 WeakPolarHBondContact CA-O 3.48Å; Q598-K614 HydrophobicContact CG-CG 4.35Å; Q598-H616 PolarHBondContact N-NE2 3.11Å
599	L	98	Very high	94.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	152.6	156	-50.5	-174.7	0	0	0	108.8	V591 S592 A593 S612 F613 L625 I632 C634 Y644	V591-L599 HydrophobicContact CG2-CB 4.49Å; S592-L599 CarbonylContact O-C 3.55Å; S592-L599 WeakPolarHBondContact O-CA 3.25Å; A593-L599 HydrophobicContact CB-CD2 3.42Å; A593-L599 VanDerWaalsContact CB-CD2 3.42Å; L599-S612 CarbonylContact O-C 3.54Å; L599-S612 WeakPolarHBondContact O-CA 3.33Å; L599-F613 HydrophobicContact CB-CB 4.1Å; L599-F613 HydrophobicContact CB-CD2 3.75Å; L599-F613 HydrophobicContact CB-CG 4.34Å; L599-F613 PolarHBondContact N-O 2.87Å; L599-F613 VanDerWaalsContact N-O 3.15Å; L599-F613 PolarHBondContact O-N 2.66Å; L599-L625 HydrophobicContact CD1-CD1 3.89Å; L599-L625 HydrophobicContact CD2-CD1 4.04Å; L599-I632 HydrophobicContact CD1-CG2 3.55Å; L599-C634 HydrophobicContact CD1-CB 4.1Å; L599-C634 HydrophobicContact CD2-CB 4.18Å; L599-Y644 HydrophobicContact CD1-CD2 4.08Å; L599-Y644 HydrophobicContact CD1-CE2 4.23Å
600	K	97.4	Very high	94.1	Very high	12 Å²	12	28.7 Å²	28.7	5%	0.052	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.6	175.6	-69.2	-178.3	-168.6	-75.4	0	111.4	G574 H575 V591 S592 W602 R611 S612	G574-K600 WeakPolarHBondContact O-CE 3.28Å; H575-K600 WeakPolarHBondContact ND1-CE 3.44Å; V591-K600 CarbonylContact C-O 3.59Å; V591-K600 WeakPolarHBondContact CA-O 3.48Å; S592-K600 PolarHBondContact N-O 2.89Å; S592-K600 PolarHBondContact O-N 2.87Å; K600-W602 HydrophobicContact CB-CH2 4.46Å; K600-W602 HydrophobicContact CB-CZ2 3.61Å; K600-W602 HydrophobicContact CD-CH2 3.85Å; K600-W602 HydrophobicContact CD-CZ2 3.58Å; K600-W602 HydrophobicContact CG-CZ2 4.2Å; K600-W602 PolarHBondContact O-NE1 3.44Å; K600-R611 WeakPolarHBondContact CA-O 3.33Å; K600-S612 PolarHBondContact NZ-OG 3.21Å
601	L	97.4	Very high	93.8	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133	169.3	-170.1	69.6	0	0	0	109.2	V585 E589 I590 C609 L610 R611 F613 K646	V585-L601 HydrophobicContact CG2-CD1 3.88Å; E589-L601 HydrophobicContact CB-CD1 4.26Å; I590-L601 CarbonylContact O-C 3.59Å; I590-L601 WeakPolarHBondContact O-CA 3.24Å; L601-C609 PolarHBondContact O-SG 3.47Å; L601-L610 HydrophobicContact CB-CB 4.38Å; L601-L610 HydrophobicContact CD2-CB 4.3Å; L601-L610 HydrophobicContact CD2-CD1 4Å; L601-L610 HydrophobicContact CG-CB 4.4Å; L601-L610 HydrophobicContact CG-CD1 4.2Å; L601-L610 PolarHBondContact O-N 3.45Å; L601-R611 HydrophobicContact CB-CB 4.37Å; L601-R611 PolarHBondContact N-O 3.12Å; L601-F613 HydrophobicContact CB-CE2 3.87Å; L601-F613 HydrophobicContact CB-CZ 4.16Å; L601-K646 HydrophobicContact CD2-CB 4.39Å
602	W	96.8	Very high	93.7	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.7	177.9	-44.1	90.6	0	0	0	109.1	F572 K573 E589 I590 S592 K600 C609	F572-W602 HydrophobicContact CB-CD2 3.73Å; F572-W602 HydrophobicContact CB-CE3 3.61Å; F572-W602 HydrophobicContact CB-CG 4.3Å; F572-W602 HydrophobicContact CB-CH2 4.19Å; F572-W602 HydrophobicContact CB-CZ2 4.31Å; F572-W602 HydrophobicContact CB-CZ3 3.84Å; F572-W602 HydrophobicContact CD1-CB 4Å; F572-W602 HydrophobicContact CD1-CD2 4.21Å; F572-W602 AromaticContact CD1-CE3 3.93Å; F572-W602 HydrophobicContact CD1-CE3 3.93Å; F572-W602 HydrophobicContact CD1-CG 4.27Å; F572-W602 HydrophobicContact CE1-CB 4.19Å; F572-W602 HydrophobicContact CG-CB 4.29Å; F572-W602 HydrophobicContact CG-CD2 4.08Å; F572-W602 HydrophobicContact CG-CE3 4.07Å; F572-W602 HydrophobicContact CG-CG 4.18Å; K573-W602 WeakPolarHBondContact O-CH2 3.32Å; K573-W602 WeakPolarHBondContact O-CZ3 3.3Å; E589-W602 WeakPolarHBondContact CA-O 3.28Å; I590-W602 HydrophobicContact CB-CB 4.5Å; I590-W602 PolarHBondContact N-O 2.87Å; I590-W602 PolarHBondContact O-N 3.02Å; S592-W602 PolarHBondContact OG-NE1 3.32Å; K600-W602 HydrophobicContact CB-CH2 4.46Å; K600-W602 HydrophobicContact CB-CZ2 3.61Å; K600-W602 HydrophobicContact CD-CH2 3.85Å; K600-W602 HydrophobicContact CD-CZ2 3.58Å; K600-W602 HydrophobicContact CG-CZ2 4.2Å; K600-W602 PolarHBondContact O-NE1 3.44Å; W602-C609 HydrophobicContact CD2-CB 4.49Å; W602-C609 VanDerWaalsContact CE3-CA 3.45Å; W602-C609 HydrophobicContact CE3-CB 3.8Å; W602-C609 HydrophobicContact CH2-CB 4.01Å; W602-C609 HydrophobicContact CZ3-CB 3.55Å
603	N	94.6	Very high	93.6	Very high	32 Å²	32	32.9 Å²	32.9	17%	0.171	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.8	165	164.9	-111.4	0	0	0	109.5	F572 E588 G605 K606 L610	F572-N603 WeakPolarHBondContact CE1-O 3.13Å; E588-N603 CarbonylContact O-C 3.59Å; E588-N603 VanDerWaalsContact O-CA 3.27Å; E588-N603 WeakPolarHBondContact O-CA 3.39Å; E588-N603 PolarHBondContact O-ND2 3.19Å; N603-G605 PolarHBondContact O-N 2.85Å; N603-G605 VanDerWaalsContact O-N 3.16Å; N603-G605 WeakPolarHBondContact OD1-CA 3.47Å; N603-G605 PolarHBondContact OD1-N 3.4Å; N603-K606 HydrophobicContact CB-CB 4.33Å; N603-K606 HydrophobicContact CB-CD 4.41Å; N603-K606 PolarHBondContact O-N 2.64Å; N603-K606 VanDerWaalsContact O-O 3.08Å; N603-L610 HydrophobicContact CB-CD1 3.94Å; N603-L610 HydrophobicContact CB-CD2 4.3Å; N603-L610 HydrophobicContact CB-CG 4.23Å
604	V	92.8	Very high	93.4	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.121	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35	-177.9	169.3	0	0	0	0	112.5	Y559 E588 I590	Y559-V604 HydrophobicContact CD1-CG1 4.14Å; Y559-V604 HydrophobicContact CE1-CB 4.5Å; Y559-V604 HydrophobicContact CE1-CG1 3.36Å; Y559-V604 HydrophobicContact CE1-CG2 4.43Å; E588-V604 PolarHBondContact O-N 3.36Å; I590-V604 HydrophobicContact CD1-CG2 4.17Å; I590-V604 HydrophobicContact CG1-CG2 4.39Å
605	G	89.6	Confident	93.1	Very high	59 Å²	59	41 Å²	41	61%	0.608	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	0.5	177.2	0	0	0	0	0	116.5	N603	N603-G605 PolarHBondContact O-N 2.85Å; N603-G605 VanDerWaalsContact O-N 3.16Å; N603-G605 WeakPolarHBondContact OD1-CA 3.47Å; N603-G605 PolarHBondContact OD1-N 3.4Å
606	K	87.4	Confident	93	Very high	81 Å²	81	40.4 Å²	40.4	35%	0.352	23%	0.227	S	C	.	.			trans	-128.2	127.6	-174.6	-70.6	178.1	176.3	-170.7	0	112.2	F572 N603 Y608 L610	F572-K606 WeakPolarHBondContact CE1-O 3.43Å; N603-K606 HydrophobicContact CB-CB 4.33Å; N603-K606 HydrophobicContact CB-CD 4.41Å; N603-K606 PolarHBondContact O-N 2.64Å; N603-K606 VanDerWaalsContact O-O 3.08Å; K606-Y608 HydrophobicContact CB-CE1 4.46Å; K606-Y608 HydrophobicContact CB-CE2 4.45Å; K606-Y608 HydrophobicContact CD-CE2 3.99Å; K606-Y608 PolarHBondContact O-N 3.43Å; K606-L610 HydrophobicContact CD-CD2 4.01Å
607	P	81.9	Confident	93	Very high	80 Å²	80	43.9 Å²	43.9	52%	0.519	25%	0.245	S	C	.	.	S	Bend	trans	-72.5	-13.7	-177.4	29	-35.1	0	0	0	114.5	M570	M570-P607 VanDerWaalsContact CE-CA 3.46Å; M570-P607 HydrophobicContact CE-CB 3.76Å; M570-P607 HydrophobicContact CE-CG 4.49Å
608	Y	83.2	Confident	93	Very high	135 Å²	135	42.8 Å²	42.8	53%	0.529	24%	0.237	S	C	.	.	S	Bend	trans	-104.4	152.3	-177.9	54	-98.9	0	0	0	112.2	K606	K606-Y608 HydrophobicContact CB-CE1 4.46Å; K606-Y608 HydrophobicContact CB-CE2 4.45Å; K606-Y608 HydrophobicContact CD-CE2 3.99Å; K606-Y608 PolarHBondContact O-N 3.43Å
609	C	91.9	Very high	92.9	Very high	33 Å²	33	47 Å²	47	22%	0.223	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.9	173.7	179.5	0	0	0	0	110.7	L601 W602 R611 S612	L601-C609 PolarHBondContact O-SG 3.47Å; W602-C609 HydrophobicContact CD2-CB 4.49Å; W602-C609 VanDerWaalsContact CE3-CA 3.45Å; W602-C609 HydrophobicContact CE3-CB 3.8Å; W602-C609 HydrophobicContact CH2-CB 4.01Å; W602-C609 HydrophobicContact CZ3-CB 3.55Å; C609-R611 PolarHBondContact SG-N 2.83Å; C609-R611 PolarHBondContact SG-O 3.41Å; C609-S612 PolarHBondContact SG-OG 3.15Å
610	L	90.7	Very high	92.6	Very high	68 Å²	68	54.4 Å²	54.4	36%	0.356	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-45.8	172.5	-65.9	-175.2	0	0	0	111.5	L601 N603 K606	L601-L610 HydrophobicContact CB-CB 4.38Å; L601-L610 HydrophobicContact CD2-CB 4.3Å; L601-L610 HydrophobicContact CD2-CD1 4Å; L601-L610 HydrophobicContact CG-CB 4.4Å; L601-L610 HydrophobicContact CG-CD1 4.2Å; L601-L610 PolarHBondContact O-N 3.45Å; N603-L610 HydrophobicContact CB-CD1 3.94Å; N603-L610 HydrophobicContact CB-CD2 4.3Å; N603-L610 HydrophobicContact CB-CG 4.23Å; K606-L610 HydrophobicContact CD-CD2 4.01Å
611	R	91.9	Very high	92.5	Very high	55 Å²	55	55.7 Å²	55.7	21%	0.208	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	138.5	-173	-173.4	167.6	-73.3	107.7	1	111	K600 L601 C609 F613 K646 G647 S649	K600-R611 WeakPolarHBondContact CA-O 3.33Å; L601-R611 HydrophobicContact CB-CB 4.37Å; L601-R611 PolarHBondContact N-O 3.12Å; C609-R611 PolarHBondContact SG-N 2.83Å; C609-R611 PolarHBondContact SG-O 3.41Å; R611-F613 HydrophobicContact CB-CZ 4.46Å; R611-F613 HydrophobicContact CG-CE1 4.23Å; R611-F613 HydrophobicContact CG-CZ 4.28Å; R611-K646 WeakPolarHBondContact CD-O 3.22Å; R611-K646 PolarHBondContact NH1-O 3.49Å; R611-G647 VanDerWaalsContact CZ-C 3.42Å; R611-G647 PolarHBondContact NE-O 3.32Å; R611-G647 VanDerWaalsContact NE-O 3.16Å; R611-G647 PolarHBondContact NH1-O 3.07Å; R611-G647 PolarHBondContact NH2-O 2.97Å; R611-G647 VanDerWaalsContact NH2-O 3.09Å; R611-S649 WeakPolarHBondContact CG-OG 3.47Å
612	S	95.2	Very high	92.4	Very high	33 Å²	33	58.3 Å²	58.3	23%	0.231	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.4	176.9	-61.7	0	0	0	0	110.5	L599 K600 C609	L599-S612 CarbonylContact O-C 3.54Å; L599-S612 WeakPolarHBondContact O-CA 3.33Å; K600-S612 PolarHBondContact NZ-OG 3.21Å; C609-S612 PolarHBondContact SG-OG 3.15Å
613	F	96.1	Very high	92.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.1	-178.7	-43.8	-97.5	0	0	0	110.6	Q598 L599 L601 R611 I632 Y644 L648 S649	Q598-F613 WeakPolarHBondContact CA-O 3.48Å; L599-F613 HydrophobicContact CB-CB 4.1Å; L599-F613 HydrophobicContact CB-CD2 3.75Å; L599-F613 HydrophobicContact CB-CG 4.34Å; L599-F613 PolarHBondContact N-O 2.87Å; L599-F613 VanDerWaalsContact N-O 3.15Å; L599-F613 PolarHBondContact O-N 2.66Å; L601-F613 HydrophobicContact CB-CE2 3.87Å; L601-F613 HydrophobicContact CB-CZ 4.16Å; R611-F613 HydrophobicContact CB-CZ 4.46Å; R611-F613 HydrophobicContact CG-CE1 4.23Å; R611-F613 HydrophobicContact CG-CZ 4.28Å; F613-I632 HydrophobicContact CE1-CD1 4.27Å; F613-I632 HydrophobicContact CE2-CD1 3.9Å; F613-I632 HydrophobicContact CZ-CD1 3.64Å; F613-Y644 HydrophobicContact CB-CD1 3.81Å; F613-Y644 HydrophobicContact CB-CD2 4.49Å; F613-Y644 HydrophobicContact CB-CE1 3.85Å; F613-Y644 HydrophobicContact CB-CG 4.14Å; F613-Y644 AromaticContact CD1-CD1 3.94Å; F613-Y644 HydrophobicContact CD1-CD1 3.94Å; F613-Y644 HydrophobicContact CD1-CG 4.07Å; F613-Y644 HydrophobicContact CG-CD1 4.27Å; F613-Y644 HydrophobicContact CG-CG 4.35Å; F613-L648 WeakPolarHBondContact CD1-O 3.17Å; F613-L648 WeakPolarHBondContact CE1-O 3.27Å; F613-S649 WeakPolarHBondContact CA-O 3.3Å
614	K	93.6	Very high	92.4	Very high	126 Å²	126	56.9 Å²	56.9	55%	0.548	30%	0.301	S	S	.	.			trans	-136.6	161.2	-173.6	-64.7	177.8	-175.9	171.6	0	111.4	Q598 Y644 S649 T651	Q598-K614 HydrophobicContact CG-CG 4.35Å; K614-Y644 WeakPolarHBondContact O-CE1 3.17Å; K614-Y644 PolarHBondContact O-OH 2.69Å; K614-S649 PolarHBondContact N-O 2.9Å; K614-T651 PolarHBondContact O-OG1 2.87Å
615	G	91.6	Very high	92.6	Very high	45 Å²	45	56 Å²	56	46%	0.464	30%	0.296	S	S	.	.	S	Bend	trans	119.5	-23.5	170.5	0	0	0	0	0	114.8	Y642	G615-Y642 WeakPolarHBondContact O-CE1 3.37Å; G615-Y642 VanDerWaalsContact O-CZ 3.32Å; G615-Y642 PolarHBondContact O-OH 2.74Å; G615-Y642 VanDerWaalsContact O-OH 3.1Å
616	H	94.9	Very high	92.9	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.028	27%	0.269	C	S	.	.	S	Bend	trans	-73.8	157.4	160.6	64.9	-83.3	0	0	0	110.1	Q598 Y642 Y644	Q598-H616 PolarHBondContact N-NE2 3.11Å; H616-Y642 HydrophobicContact CB-CD1 3.9Å; H616-Y642 HydrophobicContact CB-CD2 3.82Å; H616-Y642 HydrophobicContact CB-CE1 4.24Å; H616-Y642 HydrophobicContact CB-CE2 4.16Å; H616-Y642 HydrophobicContact CB-CG 3.69Å; H616-Y644 PolarHBondContact N-OH 2.87Å; H616-Y644 AromaticContact ND1-CE2 3.86Å; H616-Y644 AromaticContact ND1-CZ 3.79Å; H616-Y644 PolarHBondContact ND1-OH 3.42Å
617	I	95.9	Very high	93.2	Very high	78 Å²	78	50.9 Å²	50.9	40%	0.4	26%	0.261	S	S	.	.			trans	-108.5	119.4	174.7	-56.9	174.5	0	0	0	107.1	E619 S636 E637 N638	I617-E619 HydrophobicContact CG2-CG 4.47Å; I617-S636 PolarHBondContact N-OG 2.83Å; I617-S636 CarbonylContact O-C 3.56Å; I617-S636 WeakPolarHBondContact O-CA 3.35Å; I617-S636 PolarHBondContact O-OG 2.78Å; I617-E637 HydrophobicContact CG2-CB 4.25Å; I617-E637 PolarHBondContact O-N 3.39Å; I617-N638 HydrophobicContact CD1-CB 4.4Å
618	N	95.8	Very high	93.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.243	C	C	.	.			trans	-149.1	95.5	173	-179.5	40.2	0	0	0	109.8	S594 T595 S597 N621 V623	S594-N618 PolarHBondContact O-ND2 2.78Å; T595-N618 CarbonylContact C-O 3.59Å; T595-N618 WeakPolarHBondContact CA-O 3.49Å; S597-N618 PolarHBondContact N-O 3.03Å; S597-N618 PolarHBondContact OG-N 2.79Å; S597-N618 PolarHBondContact OG-O 3.49Å; N618-N621 PolarHBondContact OD1-O 2.92Å; N618-V623 HydrophobicContact CB-CG1 4.44Å; N618-V623 HydrophobicContact CB-CG2 4.17Å; N618-V623 WeakPolarHBondContact OD1-CG1 3.21Å
619	E	94	Very high	93.9	Very high	119 Å²	119	44 Å²	44	56%	0.556	24%	0.239	S	C	*	.	S	Bend	trans	-110	-18.7	-176.2	-60.6	-137	158.2	0	0	114.4	K577 T595 I617 E637	K577-E619 PolarHBondContact NZ-O 2.9Å; T595-E619 WeakPolarHBondContact O-CA 3.4Å; I617-E619 HydrophobicContact CG2-CG 4.47Å; E619-E637 PolarHBondContact N-OE2 3.41Å
620	K	92.6	Very high	93.8	Very high	156 Å²	156	43.9 Å²	43.9	68%	0.678	24%	0.236	S	C	*	.	S	Bend	trans	-141.1	-39.5	-168.4	176	-175.9	173.7	-172	0	114.4	E637	K620-E637 WeakPolarHBondContact CB-OE1 3.41Å; K620-E637 PolarHBondContact N-OE1 2.6Å
621	N	94.5	Very high	94	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	22%	0.223	C	C	.	.	S	Bend	trans	-97.5	172.8	-164.6	-65.4	-74.6	0	0	0	113.8	N618 V623 E637 F676	N618-N621 PolarHBondContact OD1-O 2.92Å; N621-V623 HydrophobicContact CB-CG1 4.29Å; N621-E637 HydrophobicContact CB-CG 4.46Å; N621-E637 WeakPolarHBondContact CB-OE1 3.27Å; N621-E637 PolarHBondContact N-OE1 3.01Å; N621-E637 PolarHBondContact ND2-OE1 3.02Å; N621-F676 HydrophobicContact CB-CD1 4.43Å; N621-F676 HydrophobicContact CB-CD2 3.81Å; N621-F676 HydrophobicContact CB-CE1 4.41Å; N621-F676 HydrophobicContact CB-CE2 3.79Å; N621-F676 HydrophobicContact CB-CG 4.15Å; N621-F676 HydrophobicContact CB-CZ 4.11Å
622	F	94.4	Very high	94.2	Very high	57 Å²	57	39 Å²	39	25%	0.25	21%	0.213	C	C	.	.			trans	-94.4	109.5	165	-77.3	-100.6	0	0	0	107.4	W494 C536 Y581	W494-F622 HydrophobicContact CD2-CZ 4.21Å; W494-F622 HydrophobicContact CE3-CE1 4.4Å; W494-F622 HydrophobicContact CE3-CE2 4.2Å; W494-F622 HydrophobicContact CE3-CZ 4.03Å; W494-F622 HydrophobicContact CH2-CD2 4.41Å; W494-F622 AromaticContact CH2-CE2 3.79Å; W494-F622 HydrophobicContact CH2-CE2 3.79Å; W494-F622 HydrophobicContact CH2-CZ 4.28Å; W494-F622 HydrophobicContact CZ2-CE2 4.26Å; W494-F622 HydrophobicContact CZ2-CZ 4.45Å; W494-F622 HydrophobicContact CZ3-CD2 4.13Å; W494-F622 AromaticContact CZ3-CE2 3.77Å; W494-F622 HydrophobicContact CZ3-CE2 3.77Å; W494-F622 HydrophobicContact CZ3-CZ 4.07Å; C536-F622 HydrophobicContact CB-CE1 4.11Å; C536-F622 HydrophobicContact CB-CZ 4.15Å; Y581-F622 HydrophobicContact CE2-CB 4.11Å; Y581-F622 AromaticContact CE2-CD1 3.86Å; Y581-F622 HydrophobicContact CE2-CD1 3.86Å; Y581-F622 HydrophobicContact CE2-CG 4.46Å
623	V	95.8	Very high	94.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.203	C	C	.	.			trans	-104	4.4	-170.2	-62.2	0	0	0	0	114.8	N618 N621 G635 E637 F676 V677	N618-V623 HydrophobicContact CB-CG1 4.44Å; N618-V623 HydrophobicContact CB-CG2 4.17Å; N618-V623 WeakPolarHBondContact OD1-CG1 3.21Å; N621-V623 HydrophobicContact CB-CG1 4.29Å; V623-G635 WeakPolarHBondContact CG2-O 3.38Å; V623-G635 WeakPolarHBondContact O-CA 3.41Å; V623-G635 PolarHBondContact O-N 2.92Å; V623-E637 HydrophobicContact CG1-CG 4.16Å; V623-F676 HydrophobicContact CG1-CD2 4.4Å; V623-V677 CarbonylContact C-O 3.49Å; V623-V677 WeakPolarHBondContact CA-O 3.35Å; V623-V677 VanDerWaalsContact CB-O 3.3Å; V623-V677 WeakPolarHBondContact CB-O 3.12Å
624	G	96	Very high	94.4	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	20%	0.203	C	C	.	.			trans	72.4	149.6	-170.6	0	0	0	0	0	114.3	Y581 C634 G635 S678	Y581-G624 VanDerWaalsContact CE2-N 3.29Å; Y581-G624 PolarHBondContact OH-N 3.39Å; G624-C634 WeakPolarHBondContact O-CA 3.43Å; G624-G635 PolarHBondContact O-N 2.92Å; G624-S678 PolarHBondContact N-O 2.91Å
625	L	98.1	Very high	94.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	130.9	171.5	176.3	69.4	0	0	0	108.5	Y581 K583 V591 A593 L599 I632 A633 C634	Y581-L625 HydrophobicContact CD2-CB 4.28Å; Y581-L625 HydrophobicContact CG-CB 3.92Å; K583-L625 WeakPolarHBondContact CE-O 3.2Å; K583-L625 HydrophobicContact CG-CD2 4.44Å; K583-L625 HydrophobicContact CG-CG 4.45Å; V591-L625 HydrophobicContact CG1-CD2 4.21Å; V591-L625 HydrophobicContact CG2-CD1 4.32Å; V591-L625 HydrophobicContact CG2-CD2 4.42Å; A593-L625 HydrophobicContact CB-CB 4.28Å; A593-L625 HydrophobicContact CB-CD1 4.5Å; A593-L625 HydrophobicContact CB-CD2 4Å; A593-L625 HydrophobicContact CB-CG 4.5Å; L599-L625 HydrophobicContact CD1-CD1 3.89Å; L599-L625 HydrophobicContact CD2-CD1 4.04Å; L625-I632 HydrophobicContact CD1-CG2 3.88Å; L625-A633 WeakPolarHBondContact CA-O 3.48Å; L625-C634 HydrophobicContact CD1-CB 4.2Å
626	A	96.3	Very high	94.8	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146	173.6	0	0	0	0	0	111.3	A633 V680 W682	A626-A633 PolarHBondContact N-O 3.33Å; A626-A633 PolarHBondContact O-N 2.71Å; A626-V680 HydrophobicContact CB-CG2 3.94Å; A626-W682 PolarHBondContact O-NE1 3.09Å; A626-W682 VanDerWaalsContact O-NE1 3.15Å
627	S	93.7	Very high	94.8	Very high	26 Å²	26	31.2 Å²	31.2	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.9	177.6	-151.3	0	0	0	0	109.7	Y631	S627-Y631 CarbonylContact C-O 3.55Å; S627-Y631 VanDerWaalsContact CA-O 3.32Å; S627-Y631 WeakPolarHBondContact CA-O 3.4Å; S627-Y631 PolarHBondContact OG-O 3.16Å
628	N	90.9	Very high	94.7	Very high	28 Å²	28	30.1 Å²	30.1	15%	0.15	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	118.6	168.3	-175.1	30.3	0	0	0	109.2	D630 Y631 W682 S690	N628-D630 PolarHBondContact O-N 2.74Å; N628-Y631 PolarHBondContact N-O 2.75Å; N628-Y631 PolarHBondContact O-N 3.01Å; N628-W682 HydrophobicContact CB-CB 3.78Å; N628-W682 HydrophobicContact CB-CD2 3.52Å; N628-W682 HydrophobicContact CB-CE3 3.93Å; N628-W682 HydrophobicContact CB-CG 3.47Å; N628-W682 VanDerWaalsContact CB-CG 3.47Å; N628-S690 PolarHBondContact ND2-O 3.13Å
629	G	87.3	Confident	94.7	Very high	43 Å²	43	30.3 Å²	30.3	44%	0.443	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-123.6	-169.1	0	0	0	0	0	111.4	V585 Y631	V585-G629 VanDerWaalsContact CG1-O 3.29Å; V585-G629 WeakPolarHBondContact CG1-O 3.44Å; G629-Y631 PolarHBondContact O-N 2.82Å
630	D	90.7	Very high	94.8	Very high	30 Å²	30	24.9 Å²	24.9	16%	0.16	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.7	-178.6	-63	-36.3	0	0	0	115.2	K375 N628 Y645 K646	K375-D630 VanDerWaalsContact CD-OD2 3.32Å; K375-D630 WeakPolarHBondContact CD-OD2 3.48Å; K375-D630 VanDerWaalsContact CE-OD2 3.26Å; K375-D630 WeakPolarHBondContact CE-OD2 3.46Å; K375-D630 IonicContact NZ-OD2 3.25Å; K375-D630 PolarHBondContact NZ-OD2 2.61Å; N628-D630 PolarHBondContact O-N 2.74Å; D630-Y645 HydrophobicContact CB-CD2 3.87Å; D630-Y645 HydrophobicContact CB-CE2 3.64Å; D630-Y645 WeakPolarHBondContact O-CD2 3.39Å; D630-K646 HydrophobicContact CB-CD 4.29Å; D630-K646 HydrophobicContact CB-CG 4.24Å; D630-K646 PolarHBondContact O-N 2.85Å; D630-K646 WeakPolarHBondContact OD1-CD 3.41Å; D630-K646 WeakPolarHBondContact OD1-CE 3.39Å; D630-K646 IonicContact OD1-NZ 3.91Å; D630-K646 PolarHBondContact OD1-NZ 3Å
631	Y	94	Very high	95	Very high	20 Å²	20	17.8 Å²	17.8	8%	0.078	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.3	-178.5	-57	-81.7	0	0	0	112.5	K375 Y379 S627 N628 G629 Y644 Y645 L652	K375-Y631 PolarHBondContact O-OH 3Å; Y379-Y631 HydrophobicContact CD2-CD1 4.37Å; Y379-Y631 AromaticContact CD2-CE1 3.89Å; Y379-Y631 HydrophobicContact CD2-CE1 3.89Å; Y379-Y631 HydrophobicContact CE2-CD1 4.31Å; Y379-Y631 HydrophobicContact CE2-CD2 4.18Å; Y379-Y631 AromaticContact CE2-CE1 3.9Å; Y379-Y631 HydrophobicContact CE2-CE1 3.9Å; Y379-Y631 AromaticContact CE2-CE2 3.76Å; Y379-Y631 HydrophobicContact CE2-CE2 3.76Å; Y379-Y631 HydrophobicContact CE2-CG 4.45Å; Y379-Y631 AromaticContact CE2-CZ 3.62Å; S627-Y631 CarbonylContact C-O 3.55Å; S627-Y631 VanDerWaalsContact CA-O 3.32Å; S627-Y631 WeakPolarHBondContact CA-O 3.4Å; S627-Y631 PolarHBondContact OG-O 3.16Å; N628-Y631 PolarHBondContact N-O 2.75Å; N628-Y631 PolarHBondContact O-N 3.01Å; G629-Y631 PolarHBondContact O-N 2.82Å; Y631-Y644 WeakPolarHBondContact CA-O 3.38Å; Y631-Y645 HydrophobicContact CE1-CD2 4.27Å; Y631-L652 HydrophobicContact CD1-CD1 4.37Å; Y631-L652 HydrophobicContact CE1-CD1 4.1Å
632	I	96.6	Very high	95.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.9	-176.9	-62.5	159.1	0	0	0	107.9	V591 L599 F613 L625 Y644 K646	V591-I632 HydrophobicContact CB-CD1 4.37Å; V591-I632 HydrophobicContact CG2-CD1 4.01Å; V591-I632 HydrophobicContact CG2-CG1 4.41Å; V591-I632 HydrophobicContact CG2-CG2 4Å; L599-I632 HydrophobicContact CD1-CG2 3.55Å; F613-I632 HydrophobicContact CE1-CD1 4.27Å; F613-I632 HydrophobicContact CE2-CD1 3.9Å; F613-I632 HydrophobicContact CZ-CD1 3.64Å; L625-I632 HydrophobicContact CD1-CG2 3.88Å; I632-Y644 PolarHBondContact N-O 3.12Å; I632-Y644 PolarHBondContact O-N 2.76Å; I632-K646 HydrophobicContact CD1-CB 3.94Å
633	A	97.3	Very high	95.3	Very high	2 Å²	2	14.7 Å²	14.7	2%	0.017	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.6	177.9	0	0	0	0	0	110.7	L625 A626 L641 Y642 L643 W682 L693	L625-A633 WeakPolarHBondContact CA-O 3.48Å; A626-A633 PolarHBondContact N-O 3.33Å; A626-A633 PolarHBondContact O-N 2.71Å; A633-L641 HydrophobicContact CB-CD1 4.27Å; A633-Y642 WeakPolarHBondContact CA-O 3.49Å; A633-L643 HydrophobicContact CB-CD1 4.31Å; A633-W682 HydrophobicContact CB-CZ2 4.11Å; A633-L693 HydrophobicContact CB-CD2 4.29Å
634	C	97.8	Very high	95.2	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.5	173	69	0	0	0	0	111.8	L599 G624 L625 Y642	L599-C634 HydrophobicContact CD1-CB 4.1Å; L599-C634 HydrophobicContact CD2-CB 4.18Å; G624-C634 WeakPolarHBondContact O-CA 3.43Å; L625-C634 HydrophobicContact CD1-CB 4.2Å; C634-Y642 PolarHBondContact N-O 3.47Å; C634-Y642 PolarHBondContact O-N 2.95Å
635	G	97.4	Very high	95.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	177.8	169.9	0	0	0	0	0	113.1	V623 G624	V623-G635 WeakPolarHBondContact CG2-O 3.38Å; V623-G635 WeakPolarHBondContact O-CA 3.41Å; V623-G635 PolarHBondContact O-N 2.92Å; G624-G635 PolarHBondContact O-N 2.92Å
636	S	97.1	Very high	94.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.3	-179.6	-179.7	0	0	0	0	110.6	I617 N638 N639 S640 Y642 F676 V677	I617-S636 PolarHBondContact N-OG 2.83Å; I617-S636 CarbonylContact O-C 3.56Å; I617-S636 WeakPolarHBondContact O-CA 3.35Å; I617-S636 PolarHBondContact O-OG 2.78Å; S636-N638 WeakPolarHBondContact CB-OD1 3.17Å; S636-N638 PolarHBondContact O-N 2.66Å; S636-N638 PolarHBondContact OG-OD1 2.82Å; S636-N639 PolarHBondContact O-N 2.99Å; S636-S640 VanDerWaalsContact CB-O 3.23Å; S636-S640 WeakPolarHBondContact CB-O 3.4Å; S636-S640 PolarHBondContact N-O 3.13Å; S636-Y642 VanDerWaalsContact CB-CE2 3.47Å; S636-F676 WeakPolarHBondContact O-CA 3.38Å; S636-V677 PolarHBondContact O-N 3.07Å; S636-V677 VanDerWaalsContact O-N 3.15Å
637	E	95.6	Very high	94.4	Very high	44 Å²	44	17.2 Å²	17.2	21%	0.206	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	9.6	-178.7	-62.4	176.7	148.4	0	0	113.8	I617 E619 K620 N621 V623 E675 F676	I617-E637 HydrophobicContact CG2-CB 4.25Å; I617-E637 PolarHBondContact O-N 3.39Å; E619-E637 PolarHBondContact N-OE2 3.41Å; K620-E637 WeakPolarHBondContact CB-OE1 3.41Å; K620-E637 PolarHBondContact N-OE1 2.6Å; N621-E637 HydrophobicContact CB-CG 4.46Å; N621-E637 WeakPolarHBondContact CB-OE1 3.27Å; N621-E637 PolarHBondContact N-OE1 3.01Å; N621-E637 PolarHBondContact ND2-OE1 3.02Å; V623-E637 HydrophobicContact CG1-CG 4.16Å; E637-E675 CarbonylContact C-O 2.95Å; E637-F676 HydrophobicContact CB-CB 4.39Å; E637-F676 HydrophobicContact CG-CB 4.15Å
638	N	93.8	Very high	94.2	Very high	55 Å²	55	16.1 Å²	16.1	29%	0.294	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	34.3	167.4	63.4	-4.1	0	0	0	111.7	I617 S636 S640 Y642	I617-N638 HydrophobicContact CD1-CB 4.4Å; S636-N638 WeakPolarHBondContact CB-OD1 3.17Å; S636-N638 PolarHBondContact O-N 2.66Å; S636-N638 PolarHBondContact OG-OD1 2.82Å; N638-S640 PolarHBondContact O-N 3.4Å; N638-S640 VanDerWaalsContact O-N 3.12Å; N638-S640 PolarHBondContact O-OG 2.87Å; N638-S640 WeakPolarHBondContact OD1-CB 3.34Å; N638-Y642 PolarHBondContact ND2-OH 2.88Å
639	N	95.1	Very high	94.2	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.027	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	42.4	-175.9	-157.9	9.8	0	0	0	113.8	S636 F657 T659 E675 N697	S636-N639 PolarHBondContact O-N 2.99Å; N639-F657 WeakPolarHBondContact O-CB 3.35Å; N639-F657 PolarHBondContact O-N 2.81Å; N639-F657 WeakPolarHBondContact OD1-CB 3.35Å; N639-T659 PolarHBondContact ND2-OG1 2.9Å; N639-E675 HydrophobicContact CB-CB 3.85Å; N639-E675 PolarHBondContact N-O 2.81Å; N639-E675 PolarHBondContact ND2-OE2 2.82Å; N639-N697 PolarHBondContact ND2-ND2 3.37Å; N639-N697 WeakPolarHBondContact OD1-CB 3.5Å; N639-N697 PolarHBondContact OD1-ND2 3.13Å
640	S	95.9	Very high	94.2	Very high	5 Å²	5	17.1 Å²	17.1	4%	0.035	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.6	-176.5	-54	0	0	0	0	112.5	S636 N638 F655	S636-S640 VanDerWaalsContact CB-O 3.23Å; S636-S640 WeakPolarHBondContact CB-O 3.4Å; S636-S640 PolarHBondContact N-O 3.13Å; N638-S640 PolarHBondContact O-N 3.4Å; N638-S640 VanDerWaalsContact O-N 3.12Å; N638-S640 PolarHBondContact O-OG 2.87Å; N638-S640 WeakPolarHBondContact OD1-CB 3.34Å; S640-F655 CarbonylContact C-O 3.57Å; S640-F655 WeakPolarHBondContact CA-O 2.96Å
641	L	97.3	Very high	94.3	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.037	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.5	171.1	173.8	67.8	0	0	0	109.5	A633 T654 F655 V680 L693 A695 L705	A633-L641 HydrophobicContact CB-CD1 4.27Å; L641-T654 CarbonylContact O-C 3.55Å; L641-T654 VanDerWaalsContact O-CA 3.28Å; L641-T654 WeakPolarHBondContact O-CA 3.42Å; L641-T654 WeakPolarHBondContact O-CG2 3.42Å; L641-F655 HydrophobicContact CB-CB 4.34Å; L641-F655 PolarHBondContact N-O 3.48Å; L641-F655 PolarHBondContact O-N 3.39Å; L641-V680 HydrophobicContact CD1-CB 4.5Å; L641-V680 HydrophobicContact CD1-CG1 3.59Å; L641-L693 HydrophobicContact CD2-CD1 3.51Å; L641-L693 HydrophobicContact CD2-CD2 4.35Å; L641-A695 HydrophobicContact CD1-CB 4.48Å; L641-A695 HydrophobicContact CD2-CB 4.16Å; L641-L705 HydrophobicContact CD2-CD1 3.59Å
642	Y	97.4	Very high	94.1	Very high	23 Å²	23	16.7 Å²	16.7	9%	0.09	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.7	176.7	-77.9	-113.3	0	0	0	110.5	G615 H616 A633 C634 S636 N638 T651 T654	G615-Y642 WeakPolarHBondContact O-CE1 3.37Å; G615-Y642 VanDerWaalsContact O-CZ 3.32Å; G615-Y642 PolarHBondContact O-OH 2.74Å; G615-Y642 VanDerWaalsContact O-OH 3.1Å; H616-Y642 HydrophobicContact CB-CD1 3.9Å; H616-Y642 HydrophobicContact CB-CD2 3.82Å; H616-Y642 HydrophobicContact CB-CE1 4.24Å; H616-Y642 HydrophobicContact CB-CE2 4.16Å; H616-Y642 HydrophobicContact CB-CG 3.69Å; A633-Y642 WeakPolarHBondContact CA-O 3.49Å; C634-Y642 PolarHBondContact N-O 3.47Å; C634-Y642 PolarHBondContact O-N 2.95Å; S636-Y642 VanDerWaalsContact CB-CE2 3.47Å; N638-Y642 PolarHBondContact ND2-OH 2.88Å; Y642-T651 HydrophobicContact CD1-CG2 3.53Å; Y642-T651 HydrophobicContact CE1-CG2 4.23Å; Y642-T651 HydrophobicContact CG-CG2 4.34Å; Y642-T654 HydrophobicContact CD2-CG2 4.18Å; Y642-T654 HydrophobicContact CE1-CG2 4.46Å; Y642-T654 HydrophobicContact CE2-CG2 3.92Å
643	L	96.4	Very high	93.9	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.042	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.6	175.3	-174.3	73.3	0	0	0	110.2	A633 L652 L653 W682 L707	A633-L643 HydrophobicContact CB-CD1 4.31Å; L643-L652 WeakPolarHBondContact O-CB 3.32Å; L643-L652 PolarHBondContact O-N 2.6Å; L643-L653 HydrophobicContact CB-CB 4.18Å; L643-L653 HydrophobicContact CD2-CB 4.26Å; L643-L653 HydrophobicContact CD2-CD1 4.1Å; L643-L653 HydrophobicContact CD2-CG 4.48Å; L643-L653 PolarHBondContact N-O 3.32Å; L643-L653 PolarHBondContact O-N 2.79Å; L643-W682 HydrophobicContact CD1-CH2 3.74Å; L643-W682 HydrophobicContact CD1-CZ2 3.62Å; L643-L707 HydrophobicContact CD1-CD1 4.25Å; L643-L707 HydrophobicContact CD2-CD1 3.65Å; L643-L707 HydrophobicContact CD2-CD2 4.04Å
644	Y	95.5	Very high	93.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.6	175.2	-62.3	-86	0	0	0	110.1	L599 F613 K614 H616 Y631 I632 T651	L599-Y644 HydrophobicContact CD1-CD2 4.08Å; L599-Y644 HydrophobicContact CD1-CE2 4.23Å; F613-Y644 HydrophobicContact CB-CD1 3.81Å; F613-Y644 HydrophobicContact CB-CD2 4.49Å; F613-Y644 HydrophobicContact CB-CE1 3.85Å; F613-Y644 HydrophobicContact CB-CG 4.14Å; F613-Y644 AromaticContact CD1-CD1 3.94Å; F613-Y644 HydrophobicContact CD1-CD1 3.94Å; F613-Y644 HydrophobicContact CD1-CG 4.07Å; F613-Y644 HydrophobicContact CG-CD1 4.27Å; F613-Y644 HydrophobicContact CG-CG 4.35Å; K614-Y644 WeakPolarHBondContact O-CE1 3.17Å; K614-Y644 PolarHBondContact O-OH 2.69Å; H616-Y644 PolarHBondContact N-OH 2.87Å; H616-Y644 AromaticContact ND1-CE2 3.86Å; H616-Y644 AromaticContact ND1-CZ 3.79Å; H616-Y644 PolarHBondContact ND1-OH 3.42Å; Y631-Y644 WeakPolarHBondContact CA-O 3.38Å; I632-Y644 PolarHBondContact N-O 3.12Å; I632-Y644 PolarHBondContact O-N 2.76Å; Y644-T651 VanDerWaalsContact CE1-CA 3.5Å; Y644-T651 HydrophobicContact CE1-CG2 4.48Å; Y644-T651 WeakPolarHBondContact CE1-OG1 3.46Å; Y644-T651 PolarHBondContact OH-OG1 3.39Å
645	Y	93.8	Very high	93.6	Very high	17 Å²	17	22.2 Å²	22.2	7%	0.067	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.1	164.1	160.2	-108.6	0	0	0	108.1	K375 F376 D630 Y631 G647 L648	K375-Y645 HydrophobicContact CB-CD2 4.01Å; K375-Y645 HydrophobicContact CB-CE2 3.56Å; K375-Y645 HydrophobicContact CD-CE2 3.83Å; K375-Y645 HydrophobicContact CG-CE2 4.31Å; F376-Y645 HydrophobicContact CB-CD1 4.3Å; D630-Y645 HydrophobicContact CB-CD2 3.87Å; D630-Y645 HydrophobicContact CB-CE2 3.64Å; D630-Y645 WeakPolarHBondContact O-CD2 3.39Å; Y631-Y645 HydrophobicContact CE1-CD2 4.27Å; Y645-G647 VanDerWaalsContact CE1-CA 3.45Å; Y645-G647 PolarHBondContact O-N 2.8Å; Y645-L648 HydrophobicContact CD1-CB 4.49Å; Y645-L648 HydrophobicContact CD1-CD1 4.19Å; Y645-L648 HydrophobicContact CD1-CG 4.07Å; Y645-L648 HydrophobicContact CE1-CG 4.42Å; Y645-L648 PolarHBondContact O-N 3.5Å; Y645-L648 VanDerWaalsContact O-O 3.1Å
646	K	91.9	Very high	93.5	Very high	39 Å²	39	28.9 Å²	28.9	17%	0.17	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.5	-167.6	82	178.8	-168	-161.1	0	114.5	V585 E589 L601 R611 D630 I632	V585-K646 HydrophobicContact CG1-CD 3.96Å; E589-K646 WeakPolarHBondContact OE1-CE 3.34Å; E589-K646 IonicContact OE1-NZ 2.83Å; E589-K646 WeakPolarHBondContact OE2-CE 3.34Å; E589-K646 IonicContact OE2-NZ 3.45Å; E589-K646 PolarHBondContact OE2-NZ 3.4Å; L601-K646 HydrophobicContact CD2-CB 4.39Å; R611-K646 WeakPolarHBondContact CD-O 3.22Å; R611-K646 PolarHBondContact NH1-O 3.49Å; D630-K646 HydrophobicContact CB-CD 4.29Å; D630-K646 HydrophobicContact CB-CG 4.24Å; D630-K646 PolarHBondContact O-N 2.85Å; D630-K646 WeakPolarHBondContact OD1-CD 3.41Å; D630-K646 WeakPolarHBondContact OD1-CE 3.39Å; D630-K646 IonicContact OD1-NZ 3.91Å; D630-K646 PolarHBondContact OD1-NZ 3Å; I632-K646 HydrophobicContact CD1-CB 3.94Å
647	G	88	Confident	93.4	Very high	9 Å²	9	29 Å²	29	9%	0.093	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.8	177.7	0	0	0	0	0	115.8	R611 Y645	R611-G647 VanDerWaalsContact CZ-C 3.42Å; R611-G647 PolarHBondContact NE-O 3.32Å; R611-G647 VanDerWaalsContact NE-O 3.16Å; R611-G647 PolarHBondContact NH1-O 3.07Å; R611-G647 PolarHBondContact NH2-O 2.97Å; R611-G647 VanDerWaalsContact NH2-O 3.09Å; Y645-G647 VanDerWaalsContact CE1-CA 3.45Å; Y645-G647 PolarHBondContact O-N 2.8Å
648	L	89.3	Confident	93	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	16%	0.162	C	C	.	.			trans	-132.7	152	-174.9	-58.4	169.8	0	0	0	111.5	D343 L344 C347 F376 F613 Y645	D343-L648 HydrophobicContact CB-CD2 4.01Å; D343-L648 WeakPolarHBondContact O-CD2 3.41Å; L344-L648 HydrophobicContact CD2-CD1 3.77Å; L344-L648 HydrophobicContact CD2-CD2 3.85Å; L344-L648 HydrophobicContact CD2-CG 4.45Å; L344-L648 HydrophobicContact CG-CD1 4.34Å; L344-L648 HydrophobicContact CG-CD2 4.23Å; C347-L648 HydrophobicContact CB-CD2 3.9Å; F376-L648 HydrophobicContact CB-CD1 3.77Å; F376-L648 HydrophobicContact CD1-CD1 4.03Å; F376-L648 HydrophobicContact CD2-CD1 3.47Å; F376-L648 VanDerWaalsContact CD2-CD1 3.47Å; F376-L648 HydrophobicContact CE2-CD1 4.08Å; F376-L648 HydrophobicContact CG-CD1 3.45Å; F376-L648 VanDerWaalsContact CG-CD1 3.45Å; F613-L648 WeakPolarHBondContact CD1-O 3.17Å; F613-L648 WeakPolarHBondContact CE1-O 3.27Å; Y645-L648 HydrophobicContact CD1-CB 4.49Å; Y645-L648 HydrophobicContact CD1-CD1 4.19Å; Y645-L648 HydrophobicContact CD1-CG 4.07Å; Y645-L648 HydrophobicContact CE1-CG 4.42Å; Y645-L648 PolarHBondContact O-N 3.5Å; Y645-L648 VanDerWaalsContact O-O 3.1Å
649	S	89.8	Confident	92.1	Very high	33 Å²	33	31.5 Å²	31.5	23%	0.231	16%	0.164	C	C	.	.	S	Bend	trans	-93.8	-29.6	-168.7	-48.4	0	0	0	0	113.1	D343 R611 F613 K614	D343-S649 VanDerWaalsContact OD2-CA 3.31Å; D343-S649 WeakPolarHBondContact OD2-CA 3.34Å; D343-S649 VanDerWaalsContact OD2-CB 3.28Å; D343-S649 WeakPolarHBondContact OD2-CB 3.43Å; D343-S649 PolarHBondContact OD2-N 3.41Å; R611-S649 WeakPolarHBondContact CG-OG 3.47Å; F613-S649 WeakPolarHBondContact CA-O 3.3Å; K614-S649 PolarHBondContact N-O 2.9Å
650	K	88.6	Confident	90.6	Very high	58 Å²	58	36 Å²	36	25%	0.252	19%	0.191	S	C	.	.	S	Bend	trans	-77.3	150.6	174.1	-70.8	169.4	-175.9	159.8	0	112.5	A339 H340 E342 D343	A339-K650 PolarHBondContact O-NZ 2.9Å; A339-K650 VanDerWaalsContact O-NZ 3.09Å; H340-K650 VanDerWaalsContact CE1-CB 3.5Å; H340-K650 WeakPolarHBondContact CE1-CB 3.35Å; E342-K650 IonicContact OE2-NZ 2.66Å; E342-K650 PolarHBondContact OE2-NZ 2.63Å; D343-K650 WeakPolarHBondContact OD1-CD 3.39Å; D343-K650 WeakPolarHBondContact OD1-CE 3.36Å; D343-K650 WeakPolarHBondContact OD1-CG 3.33Å; D343-K650 IonicContact OD1-NZ 3.41Å; D343-K650 PolarHBondContact OD1-NZ 3.41Å; D343-K650 PolarHBondContact OD2-N 2.86Å
651	T	91.5	Very high	88.7	Confident	31 Å²	31	42.6 Å²	42.6	19%	0.19	22%	0.219	C	C	.	.			trans	-60.4	132.8	178.7	-47.8	0	0	0	0	112.7	H340 K614 Y642 Y644 L653	H340-T651 PolarHBondContact CE1-O 3.13Å; H340-T651 PolarHBondContact NE2-O 3.17Å; K614-T651 PolarHBondContact O-OG1 2.87Å; Y642-T651 HydrophobicContact CD1-CG2 3.53Å; Y642-T651 HydrophobicContact CE1-CG2 4.23Å; Y642-T651 HydrophobicContact CG-CG2 4.34Å; Y644-T651 VanDerWaalsContact CE1-CA 3.5Å; Y644-T651 HydrophobicContact CE1-CG2 4.48Å; Y644-T651 WeakPolarHBondContact CE1-OG1 3.46Å; Y644-T651 PolarHBondContact OH-OG1 3.39Å; T651-L653 VanDerWaalsContact CG2-O 3.23Å; T651-L653 WeakPolarHBondContact CG2-O 3.28Å
652	L	90.7	Very high	86.6	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.052	24%	0.235	C	C	.	.	S	Bend	trans	-83.2	-47.6	177.7	-159.7	168.1	0	0	0	111.7	F376 Y631 L643	F376-L652 HydrophobicContact CD2-CD1 4.12Å; F376-L652 HydrophobicContact CD2-CG 3.93Å; F376-L652 HydrophobicContact CE2-CG 4.03Å; Y631-L652 HydrophobicContact CD1-CD1 4.37Å; Y631-L652 HydrophobicContact CE1-CD1 4.1Å; L643-L652 WeakPolarHBondContact O-CB 3.32Å; L643-L652 PolarHBondContact O-N 2.6Å
653	L	91.2	Very high	84.3	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.8	176.1	-67.8	171.7	0	0	0	111.1	N380 V382 L643 T651 L707	N380-L653 WeakPolarHBondContact O-CD2 3.23Å; V382-L653 HydrophobicContact CG2-CB 4.23Å; V382-L653 HydrophobicContact CG2-CD1 3.95Å; L643-L653 HydrophobicContact CB-CB 4.18Å; L643-L653 HydrophobicContact CD2-CB 4.26Å; L643-L653 HydrophobicContact CD2-CD1 4.1Å; L643-L653 HydrophobicContact CD2-CG 4.48Å; L643-L653 PolarHBondContact N-O 3.32Å; L643-L653 PolarHBondContact O-N 2.79Å; T651-L653 VanDerWaalsContact CG2-O 3.23Å; T651-L653 WeakPolarHBondContact CG2-O 3.28Å; L653-L707 HydrophobicContact CD1-CD2 4.45Å
654	T	94.6	Very high	82.3	Confident	71 Å²	71	56.5 Å²	56.5	44%	0.436	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133	169.6	-58	0	0	0	0	109	L641 Y642	L641-T654 CarbonylContact O-C 3.55Å; L641-T654 VanDerWaalsContact O-CA 3.28Å; L641-T654 WeakPolarHBondContact O-CA 3.42Å; L641-T654 WeakPolarHBondContact O-CG2 3.42Å; Y642-T654 HydrophobicContact CD2-CG2 4.18Å; Y642-T654 HydrophobicContact CE1-CG2 4.46Å; Y642-T654 HydrophobicContact CE2-CG2 3.92Å
655	F	95.9	Very high	80.3	Confident	28 Å²	28	59.6 Å²	59.6	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.7	171.4	172.8	-89.1	0	0	0	109	V382 P384 S640 L641 F657 K703 L705	V382-F655 HydrophobicContact CB-CB 4.2Å; V382-F655 HydrophobicContact CB-CD2 4.15Å; V382-F655 HydrophobicContact CG1-CB 4.13Å; V382-F655 HydrophobicContact CG1-CD2 4.03Å; V382-F655 HydrophobicContact CG1-CG 4.22Å; V382-F655 HydrophobicContact CG2-CB 4.27Å; P384-F655 HydrophobicContact CG-CE2 3.75Å; P384-F655 HydrophobicContact CG-CZ 4.07Å; S640-F655 CarbonylContact C-O 3.57Å; S640-F655 WeakPolarHBondContact CA-O 2.96Å; L641-F655 HydrophobicContact CB-CB 4.34Å; L641-F655 PolarHBondContact N-O 3.48Å; L641-F655 PolarHBondContact O-N 3.39Å; F655-F657 HydrophobicContact CD1-CD2 4.09Å; F655-F657 HydrophobicContact CD1-CE2 4.04Å; F655-F657 AromaticContact CE1-CD2 3.91Å; F655-F657 HydrophobicContact CE1-CD2 3.91Å; F655-F657 HydrophobicContact CE1-CE2 4Å; F655-F657 HydrophobicContact CE1-CG 4.29Å; F655-F657 HydrophobicContact CE1-CZ 4.47Å; F655-K703 HydrophobicContact CE1-CD 3.75Å; F655-K703 HydrophobicContact CZ-CD 3.63Å; F655-L705 HydrophobicContact CD1-CD1 3.68Å; F655-L705 HydrophobicContact CD1-CD2 4.2Å; F655-L705 HydrophobicContact CD2-CD2 4.22Å; F655-L705 HydrophobicContact CE1-CD1 4.06Å; F655-L705 HydrophobicContact CE1-CD2 3.95Å; F655-L705 HydrophobicContact CE2-CD2 3.96Å; F655-L705 HydrophobicContact CG-CD1 4.05Å; F655-L705 HydrophobicContact CG-CD2 4.34Å; F655-L705 HydrophobicContact CZ-CD2 3.84Å
656	K	95.1	Very high	78.2	Confident	140 Å²	140	67 Å²	67	61%	0.609	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	135.5	178.6	-178.7	168.5	-178.1	179.5	0	110.4
657	F	93.3	Very high	76.3	Confident	3 Å²	3	72.9 Å²	72.9	1%	0.013	39%	0.385	C	S	.	.			trans	-77.3	149.1	173.7	-80.9	-111.1	0	0	0	111.6	N639 F655 T659 V677 A695 N697 T701 K703	N639-F657 WeakPolarHBondContact O-CB 3.35Å; N639-F657 PolarHBondContact O-N 2.81Å; N639-F657 WeakPolarHBondContact OD1-CB 3.35Å; F655-F657 HydrophobicContact CD1-CD2 4.09Å; F655-F657 HydrophobicContact CD1-CE2 4.04Å; F655-F657 AromaticContact CE1-CD2 3.91Å; F655-F657 HydrophobicContact CE1-CD2 3.91Å; F655-F657 HydrophobicContact CE1-CE2 4Å; F655-F657 HydrophobicContact CE1-CG 4.29Å; F655-F657 HydrophobicContact CE1-CZ 4.47Å; F657-T659 PolarHBondContact O-N 2.85Å; F657-V677 HydrophobicContact CD2-CG2 3.56Å; F657-V677 HydrophobicContact CE2-CG2 3.5Å; F657-V677 HydrophobicContact CG-CG2 4.48Å; F657-V677 HydrophobicContact CZ-CG2 4.38Å; F657-A695 HydrophobicContact CE2-CB 4.22Å; F657-A695 HydrophobicContact CZ-CB 3.83Å; F657-N697 HydrophobicContact CD1-CB 4.26Å; F657-N697 HydrophobicContact CE1-CB 4.46Å; F657-T701 HydrophobicContact CD1-CG2 4.2Å; F657-T701 HydrophobicContact CE1-CG2 4.49Å; F657-K703 HydrophobicContact CD1-CD 4.2Å; F657-K703 HydrophobicContact CE1-CB 4.27Å; F657-K703 HydrophobicContact CE1-CD 4.12Å; F657-K703 HydrophobicContact CE1-CG 4.04Å; F657-K703 HydrophobicContact CZ-CB 4.48Å
658	D	87.4	Confident	74.5	Confident	95 Å²	95	80.5 Å²	80.5	51%	0.508	41%	0.411	S	S	.	.			trans	-73.3	112.7	172.4	-45.2	-72.6	0	0	0	109.6	V660 K703	D658-V660 PolarHBondContact O-N 3.19Å; D658-V660 VanDerWaalsContact O-N 3.15Å; D658-K703 WeakPolarHBondContact OD2-CE 3.37Å; D658-K703 IonicContact OD2-NZ 2.95Å; D658-K703 PolarHBondContact OD2-NZ 2.73Å
659	T	74.8	Confident	72.6	Confident	56 Å²	56	87.5 Å²	87.5	34%	0.344	44%	0.442	S	S	.	.			trans	-73	103.5	170.6	-67.2	0	0	0	0	109.1	N639 F657 K661 E675	N639-T659 PolarHBondContact ND2-OG1 2.9Å; F657-T659 PolarHBondContact O-N 2.85Å; T659-K661 PolarHBondContact O-N 2.86Å; T659-K661 VanDerWaalsContact O-N 3.16Å; T659-E675 WeakPolarHBondContact CB-OE2 3.34Å; T659-E675 VanDerWaalsContact CG2-OE2 3.28Å; T659-E675 WeakPolarHBondContact CG2-OE2 3.14Å; T659-E675 PolarHBondContact OG1-OE2 2.84Å
660	V	64.9	Low	70.6	Confident	99 Å²	99	92.9 Å²	92.9	60%	0.6	46%	0.463	S	S	*	.			trans	-73.5	105.7	180	-176.4	0	0	0	0	109.9	D658 S662	D658-V660 PolarHBondContact O-N 3.19Å; D658-V660 VanDerWaalsContact O-N 3.15Å; V660-S662 PolarHBondContact O-N 3.16Å
661	K	56.3	Low	68.6	Low	143 Å²	143	97.2 Å²	97.2	62%	0.622	49%	0.489	S	S	*	.			trans	-76.3	113.5	174.4	-64.9	-170.9	178.4	-173.7	0	110.2	T659 E670	T659-K661 PolarHBondContact O-N 2.86Å; T659-K661 VanDerWaalsContact O-N 3.16Å; K661-E670 IonicContact NZ-OE1 2.65Å; K661-E670 PolarHBondContact NZ-OE1 3.15Å
662	S	53	Low	66.6	Low	54 Å²	54	101 Å²	101	38%	0.378	51%	0.508	S	S	.	.			trans	-59.8	138	170.2	179.8	0	0	0	0	110.5	V660 L664 D665	V660-S662 PolarHBondContact O-N 3.16Å; S662-L664 PolarHBondContact O-N 2.96Å; S662-L664 VanDerWaalsContact O-N 3.09Å; S662-L664 PolarHBondContact OG-N 3.06Å; S662-D665 VanDerWaalsContact CB-OD2 3.28Å; S662-D665 WeakPolarHBondContact CB-OD2 3.49Å; S662-D665 PolarHBondContact O-N 2.87Å
663	V	49.1	Very low	65.1	Low	119 Å²	119	104 Å²	104	72%	0.721	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.8	177.7	179.4	0	0	0	0	112.2
664	L	53.1	Low	64.5	Low	157 Å²	157	109 Å²	109	82%	0.822	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-20.6	176.1	-58.1	176.5	0	0	0	113.5	S662 K666	S662-L664 PolarHBondContact O-N 2.96Å; S662-L664 VanDerWaalsContact O-N 3.09Å; S662-L664 PolarHBondContact OG-N 3.06Å; L664-K666 PolarHBondContact O-N 2.64Å; L664-K666 VanDerWaalsContact O-N 3.08Å
665	D	54.9	Low	64.3	Low	66 Å²	66	106.6 Å²	106.6	35%	0.353	54%	0.538	S	S	.	.			trans	-85.2	34.7	-175.3	-82.8	-53.4	0	0	0	113.6	S662 D667 R668	S662-D665 VanDerWaalsContact CB-OD2 3.28Å; S662-D665 WeakPolarHBondContact CB-OD2 3.49Å; S662-D665 PolarHBondContact O-N 2.87Å; D665-D667 PolarHBondContact O-N 3.44Å; D665-R668 PolarHBondContact O-N 3.18Å; D665-R668 VanDerWaalsContact OD1-CD 3.25Å; D665-R668 WeakPolarHBondContact OD1-CD 3.46Å; D665-R668 IonicContact OD1-CZ 3.44Å; D665-R668 IonicContact OD1-NE 3.59Å; D665-R668 IonicContact OD1-NH1 2.68Å; D665-R668 PolarHBondContact OD1-NH1 2.9Å; D665-R668 IonicContact OD2-NH1 3.46Å; D665-R668 PolarHBondContact OD2-NH1 3.31Å
666	K	49.1	Very low	64.3	Low	172 Å²	172	106.3 Å²	106.3	75%	0.748	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.3	-176.5	-77.4	-176.9	177.4	178.1	0	114.8	L664	L664-K666 PolarHBondContact O-N 2.64Å; L664-K666 VanDerWaalsContact O-N 3.08Å
667	D	51.4	Low	64.4	Low	163 Å²	163	99.6 Å²	99.6	87%	0.872	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	4.1	-175.9	-60.2	-54.1	0	0	0	113.8	D665	D665-D667 PolarHBondContact O-N 3.44Å
668	R	50.5	Low	64.6	Low	169 Å²	169	99.6 Å²	99.6	64%	0.638	51%	0.507	S	S	*	.			trans	-83.4	133.5	172.1	-78.8	-169.5	166.3	136.9	-12.9	110.9	D665	D665-R668 PolarHBondContact O-N 3.18Å; D665-R668 VanDerWaalsContact OD1-CD 3.25Å; D665-R668 WeakPolarHBondContact OD1-CD 3.46Å; D665-R668 IonicContact OD1-CZ 3.44Å; D665-R668 IonicContact OD1-NE 3.59Å; D665-R668 IonicContact OD1-NH1 2.68Å; D665-R668 PolarHBondContact OD1-NH1 2.9Å; D665-R668 IonicContact OD2-NH1 3.46Å; D665-R668 PolarHBondContact OD2-NH1 3.31Å
669	K	49.1	Very low	65.1	Low	150 Å²	150	95.1 Å²	95.1	65%	0.652	48%	0.484	S	S	*	.			trans	-74.1	147.3	172.9	-65.6	-178.1	179.3	-178.9	0	110.3	D671 D672	K669-D671 PolarHBondContact O-N 2.71Å; K669-D672 PolarHBondContact O-N 3.07Å
670	E	47.6	Very low	66.1	Low	145 Å²	145	92.9 Å²	92.9	68%	0.678	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.1	179.5	-63.9	-174.8	124.8	0	0	113.4	K661 T673	K661-E670 IonicContact NZ-OE1 2.65Å; K661-E670 PolarHBondContact NZ-OE1 3.15Å; E670-T673 PolarHBondContact O-OG1 2.65Å; E670-T673 VanDerWaalsContact O-OG1 3.07Å
671	D	46.7	Very low	67.7	Low	149 Å²	149	88.5 Å²	88.5	80%	0.797	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.3	176.6	-57.8	-53.4	0	0	0	114.2	K669	K669-D671 PolarHBondContact O-N 2.71Å
672	D	50.1	Low	69.6	Low	111 Å²	111	82.2 Å²	82.2	59%	0.594	42%	0.416	S	S	*	.	S	Bend	trans	-87	-17.4	-174.7	-82.2	-53.2	0	0	0	113.8	K669 N674	K669-D672 PolarHBondContact O-N 3.07Å; D672-N674 PolarHBondContact O-N 2.86Å; D672-N674 PolarHBondContact O-ND2 3.25Å
673	T	59.1	Low	71.5	Confident	72 Å²	72	81.2 Å²	81.2	44%	0.442	40%	0.404	S	S	.	.			trans	-74.6	82.6	-178.3	32	0	0	0	0	112.7	E670 E675	E670-T673 PolarHBondContact O-OG1 2.65Å; E670-T673 VanDerWaalsContact O-OG1 3.07Å; T673-E675 PolarHBondContact O-N 3.45Å
674	N	79.3	Confident	73.3	Confident	127 Å²	127	78.1 Å²	78.1	68%	0.679	39%	0.39	S	S	*	.			trans	-72.3	64.3	174.9	-76.5	-105.5	0	0	0	111.9	D672	D672-N674 PolarHBondContact O-N 2.86Å; D672-N674 PolarHBondContact O-ND2 3.25Å
675	E	90.3	Very high	74.7	Confident	21 Å²	21	73.3 Å²	73.3	10%	0.098	37%	0.365	C	S	.	.			trans	-94.6	130.2	-174.9	-68.5	174.4	-174.9	0	0	112.9	E637 N639 T659 T673 S698 Q699	E637-E675 CarbonylContact C-O 2.95Å; N639-E675 HydrophobicContact CB-CB 3.85Å; N639-E675 PolarHBondContact N-O 2.81Å; N639-E675 PolarHBondContact ND2-OE2 2.82Å; T659-E675 WeakPolarHBondContact CB-OE2 3.34Å; T659-E675 VanDerWaalsContact CG2-OE2 3.28Å; T659-E675 WeakPolarHBondContact CG2-OE2 3.14Å; T659-E675 PolarHBondContact OG1-OE2 2.84Å; T673-E675 PolarHBondContact O-N 3.45Å; E675-S698 WeakPolarHBondContact CA-OG 3.42Å; E675-Q699 HydrophobicContact CG-CG 4.25Å; E675-Q699 PolarHBondContact OE1-NE2 3.36Å
676	F	95.1	Very high	75.6	Confident	21 Å²	21	75.2 Å²	75.2	9%	0.092	38%	0.381	C	S	.	.			trans	-135.7	144.1	-178.5	62.9	-83.7	0	0	0	111.5	I400 N621 V623 S636 E637 S678 N697 S698	I400-F676 HydrophobicContact CD1-CZ 4.29Å; I400-F676 HydrophobicContact CG2-CE2 4.48Å; I400-F676 HydrophobicContact CG2-CZ 4.25Å; N621-F676 HydrophobicContact CB-CD1 4.43Å; N621-F676 HydrophobicContact CB-CD2 3.81Å; N621-F676 HydrophobicContact CB-CE1 4.41Å; N621-F676 HydrophobicContact CB-CE2 3.79Å; N621-F676 HydrophobicContact CB-CG 4.15Å; N621-F676 HydrophobicContact CB-CZ 4.11Å; V623-F676 HydrophobicContact CG1-CD2 4.4Å; S636-F676 WeakPolarHBondContact O-CA 3.38Å; E637-F676 HydrophobicContact CB-CB 4.39Å; E637-F676 HydrophobicContact CG-CB 4.15Å; F676-S678 PolarHBondContact O-N 3.18Å; F676-N697 CarbonylContact O-C 3.5Å; F676-N697 WeakPolarHBondContact O-CA 3.28Å; F676-N697 WeakPolarHBondContact O-CB 3.24Å; F676-S698 PolarHBondContact N-OG 2.96Å; F676-S698 VanDerWaalsContact N-OG 3.09Å; F676-S698 PolarHBondContact O-N 3.32Å; F676-S698 PolarHBondContact O-OG 2.87Å
677	V	97.1	Very high	76.6	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.8	164	172.6	0	0	0	0	107.2	V623 S636 F657 V680 N697	V623-V677 CarbonylContact C-O 3.49Å; V623-V677 WeakPolarHBondContact CA-O 3.35Å; V623-V677 VanDerWaalsContact CB-O 3.3Å; V623-V677 WeakPolarHBondContact CB-O 3.12Å; S636-V677 PolarHBondContact O-N 3.07Å; S636-V677 VanDerWaalsContact O-N 3.15Å; F657-V677 HydrophobicContact CD2-CG2 3.56Å; F657-V677 HydrophobicContact CE2-CG2 3.5Å; F657-V677 HydrophobicContact CG-CG2 4.48Å; F657-V677 HydrophobicContact CZ-CG2 4.38Å; V677-V680 HydrophobicContact CG1-CG1 3.89Å; V677-N697 HydrophobicContact CG2-CB 4.47Å
678	S	96.9	Very high	76.9	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.014	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-22.5	-164.7	61	0	0	0	0	114.1	V401 G624 F676 A696 N697	V401-S678 VanDerWaalsContact O-CB 3.24Å; V401-S678 WeakPolarHBondContact O-CB 3.03Å; V401-S678 PolarHBondContact O-OG 3.27Å; G624-S678 PolarHBondContact N-O 2.91Å; F676-S678 PolarHBondContact O-N 3.18Å; S678-A696 PolarHBondContact N-O 2.73Å; S678-A696 PolarHBondContact OG-O 3.49Å; S678-N697 VanDerWaalsContact OG-C 3.31Å; S678-N697 PolarHBondContact OG-O 3.29Å
679	A	97.8	Very high	77.6	Confident	2 Å²	2	67.4 Å²	67.4	2%	0.017	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144	173.9	0	0	0	0	0	111.3	V401 I404 A695 A696	V401-A679 HydrophobicContact CG1-CB 3.77Å; I404-A679 HydrophobicContact CD1-CB 3.92Å; I404-A679 HydrophobicContact CG1-CB 3.9Å; A679-A695 CarbonylContact O-C 3.56Å; A679-A695 WeakPolarHBondContact O-CA 3.42Å; A679-A696 PolarHBondContact N-O 3.16Å; A679-A696 PolarHBondContact O-N 2.78Å
680	V	97.8	Very high	79.1	Confident	8 Å²	8	60.8 Å²	60.8	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.2	176.4	-57.8	0	0	0	0	109.5	A626 L641 V677 I694 A695	A626-V680 HydrophobicContact CB-CG2 3.94Å; L641-V680 HydrophobicContact CD1-CB 4.5Å; L641-V680 HydrophobicContact CD1-CG1 3.59Å; V677-V680 HydrophobicContact CG1-CG1 3.89Å; V680-I694 CarbonylContact C-O 3.59Å; V680-I694 WeakPolarHBondContact CA-O 3.43Å; V680-A695 HydrophobicContact CG1-CB 3.99Å
681	C	97.3	Very high	81.1	Confident	7 Å²	7	56.5 Å²	56.5	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	142.8	175.1	-174.7	0	0	0	0	110.3	I404 E405 L693 I694	I404-C681 HydrophobicContact CB-CB 4.15Å; I404-C681 HydrophobicContact CG2-CB 4.07Å; I404-C681 WeakPolarHBondContact O-CB 3.41Å; E405-C681 PolarHBondContact OE2-SG 3Å; C681-L693 CarbonylContact O-C 3.45Å; C681-L693 VanDerWaalsContact O-CA 3.28Å; C681-L693 WeakPolarHBondContact O-CA 3.37Å; C681-L693 VanDerWaalsContact O-CB 3.31Å; C681-L693 WeakPolarHBondContact O-CB 3.2Å; C681-I694 PolarHBondContact N-O 2.94Å; C681-I694 PolarHBondContact O-N 3.02Å
682	W	95.9	Very high	83.4	Confident	11 Å²	11	50 Å²	50	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.3	173.4	-70.8	97.9	0	0	0	110.6	A626 N628 A633 L643 A684 L693 L707	A626-W682 PolarHBondContact O-NE1 3.09Å; A626-W682 VanDerWaalsContact O-NE1 3.15Å; N628-W682 HydrophobicContact CB-CB 3.78Å; N628-W682 HydrophobicContact CB-CD2 3.52Å; N628-W682 HydrophobicContact CB-CE3 3.93Å; N628-W682 HydrophobicContact CB-CG 3.47Å; N628-W682 VanDerWaalsContact CB-CG 3.47Å; A633-W682 HydrophobicContact CB-CZ2 4.11Å; L643-W682 HydrophobicContact CD1-CH2 3.74Å; L643-W682 HydrophobicContact CD1-CZ2 3.62Å; W682-A684 VanDerWaalsContact C-N 3.25Å; W682-A684 PolarHBondContact O-N 2.61Å; W682-L693 HydrophobicContact CD2-CB 4.05Å; W682-L693 HydrophobicContact CD2-CD2 4.25Å; W682-L693 HydrophobicContact CE3-CB 3.9Å; W682-L693 HydrophobicContact CE3-CD2 4.09Å; W682-L693 HydrophobicContact CG-CB 4.4Å; W682-L693 HydrophobicContact CH2-CD2 3.99Å; W682-L693 HydrophobicContact CZ2-CD2 4.11Å; W682-L693 HydrophobicContact CZ3-CD2 3.96Å; W682-L707 HydrophobicContact CH2-CD1 3.57Å; W682-L707 HydrophobicContact CZ3-CD1 3.79Å
683	R	94.5	Very high	85.7	Confident	34 Å²	34	44.9 Å²	44.9	13%	0.128	26%	0.262	C	S	.	.			trans	-79.3	75.1	169	-169.3	177.4	-177	-126.8	2.2	109.3	F406 C410 Y427 L685 S690 V692	F406-R683 HydrophobicContact CD1-CG 4.1Å; F406-R683 HydrophobicContact CD2-CB 4.17Å; F406-R683 HydrophobicContact CD2-CG 4.41Å; F406-R683 HydrophobicContact CE1-CB 4.13Å; F406-R683 HydrophobicContact CE1-CG 3.66Å; F406-R683 HydrophobicContact CE2-CB 3.56Å; F406-R683 HydrophobicContact CE2-CG 4.01Å; F406-R683 HydrophobicContact CG-CG 4.45Å; F406-R683 HydrophobicContact CZ-CB 3.53Å; F406-R683 HydrophobicContact CZ-CG 3.61Å; C410-R683 HydrophobicContact CB-CG 3.71Å; C410-R683 VanDerWaalsContact O-CZ 3.28Å; C410-R683 PolarHBondContact O-NE 2.87Å; C410-R683 PolarHBondContact O-NH2 2.89Å; Y427-R683 VanDerWaalsContact CE1-CZ 3.43Å; R683-L685 PolarHBondContact O-N 3.03Å; R683-S690 WeakPolarHBondContact O-CB 3.44Å; R683-S690 PolarHBondContact O-OG 2.81Å; R683-V692 HydrophobicContact CB-CB 4.43Å; R683-V692 PolarHBondContact N-O 2.86Å
684	A	86.4	Confident	87.5	Confident	53 Å²	53	41.5 Å²	41.5	44%	0.438	24%	0.241	S	C	.	.			trans	-74.1	85.6	-173.2	0	0	0	0	0	111.9	W682	W682-A684 VanDerWaalsContact C-N 3.25Å; W682-A684 PolarHBondContact O-N 2.61Å
685	L	82.8	Confident	88.4	Confident	57 Å²	57	35.4 Å²	35.4	30%	0.298	21%	0.208	S	C	.	.			trans	-62.4	141.4	177.6	-66.8	174.7	0	0	0	111.8	C410 R683 D687 G688	C410-L685 HydrophobicContact CB-CD2 4.07Å; R683-L685 PolarHBondContact O-N 3.03Å; L685-D687 PolarHBondContact O-N 3.04Å; L685-D687 VanDerWaalsContact O-N 3.16Å; L685-G688 PolarHBondContact O-N 2.9Å; L685-G688 VanDerWaalsContact O-N 3.1Å
686	P	72.4	Confident	88.7	Confident	106 Å²	106	34.4 Å²	34.4	69%	0.688	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.5	179.3	-28.2	35.9	0	0	0	114.9	G688	P686-G688 PolarHBondContact O-N 3.35Å; P686-G688 VanDerWaalsContact O-N 3.17Å
687	D	69.8	Low	88.7	Confident	162 Å²	162	33.4 Å²	33.4	87%	0.866	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	8.8	-178.9	-58.1	-37.3	0	0	0	113.7	L685 E689	L685-D687 PolarHBondContact O-N 3.04Å; L685-D687 VanDerWaalsContact O-N 3.16Å; D687-E689 PolarHBondContact O-N 3.01Å
688	G	59.3	Low	88.5	Confident	53 Å²	53	34.2 Å²	34.2	55%	0.546	21%	0.205	S	C	.	.	S	Bend	trans	93.8	-24.7	158.2	0	0	0	0	0	116.8	L685 P686	L685-G688 PolarHBondContact O-N 2.9Å; L685-G688 VanDerWaalsContact O-N 3.1Å; P686-G688 PolarHBondContact O-N 3.35Å; P686-G688 VanDerWaalsContact O-N 3.17Å
689	E	64.3	Low	88.2	Confident	125 Å²	125	36.4 Å²	36.4	58%	0.584	22%	0.215	S	C	*	.			trans	-118	120.9	175.5	-62.2	-143.9	136.9	0	0	112.4	R378 D687	R378-E689 IonicContact CZ-OE1 2.85Å; R378-E689 IonicContact CZ-OE2 3.76Å; R378-E689 IonicContact NH1-OE1 3.05Å; R378-E689 PolarHBondContact NH1-OE1 2.91Å; R378-E689 IonicContact NH1-OE2 2.67Å; R378-E689 PolarHBondContact NH1-OE2 3.37Å; R378-E689 VanDerWaalsContact NH2-CD 3.34Å; R378-E689 IonicContact NH2-OE1 3.93Å; R378-E689 IonicContact NH2-OE2 3.39Å; R378-E689 PolarHBondContact NH2-OE2 3.06Å; D687-E689 PolarHBondContact O-N 3.01Å
690	S	79.7	Confident	87.9	Confident	11 Å²	11	36.3 Å²	36.3	8%	0.077	21%	0.214	C	C	.	.			trans	-139.4	125.3	170.1	176.5	0	0	0	0	110.1	N628 R683 V692	N628-S690 PolarHBondContact ND2-O 3.13Å; R683-S690 WeakPolarHBondContact O-CB 3.44Å; R683-S690 PolarHBondContact O-OG 2.81Å; S690-V692 VanDerWaalsContact C-N 3.28Å; S690-V692 PolarHBondContact OG-N 3.22Å
691	N	91.4	Very high	87.6	Confident	54 Å²	54	37 Å²	37	29%	0.289	22%	0.218	S	C	.	.			trans	-88	2.3	177.8	-57.3	7.1	0	0	0	111.6	R378 Y379 L707	R378-N691 PolarHBondContact NH2-OD1 2.99Å; Y379-N691 HydrophobicContact CE1-CB 4.26Å; Y379-N691 PolarHBondContact OH-OD1 3.21Å; N691-L707 HydrophobicContact CB-CB 4.32Å; N691-L707 PolarHBondContact ND2-O 2.85Å; N691-L707 WeakPolarHBondContact O-CG 3.41Å; N691-L707 PolarHBondContact O-N 3.46Å
692	V	95	Very high	87.5	Confident	14 Å²	14	36.7 Å²	36.7	9%	0.085	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	-170.1	-177.9	0	0	0	0	112.4	L385 Y427 R683 S690 V704 L705 E706	L385-V692 HydrophobicContact CD1-CG2 4.38Å; Y427-V692 HydrophobicContact CE2-CG1 4.23Å; R683-V692 HydrophobicContact CB-CB 4.43Å; R683-V692 PolarHBondContact N-O 2.86Å; S690-V692 VanDerWaalsContact C-N 3.28Å; S690-V692 PolarHBondContact OG-N 3.22Å; V692-V704 HydrophobicContact CG1-CG1 3.76Å; V692-L705 WeakPolarHBondContact CA-O 3.46Å; V692-E706 HydrophobicContact CG2-CB 4.41Å
693	L	96.5	Very high	87.5	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.2	172	61.9	85.8	0	0	0	110.7	A633 L641 C681 W682 A695 L705	A633-L693 HydrophobicContact CB-CD2 4.29Å; L641-L693 HydrophobicContact CD2-CD1 3.51Å; L641-L693 HydrophobicContact CD2-CD2 4.35Å; C681-L693 CarbonylContact O-C 3.45Å; C681-L693 VanDerWaalsContact O-CA 3.28Å; C681-L693 WeakPolarHBondContact O-CA 3.37Å; C681-L693 VanDerWaalsContact O-CB 3.31Å; C681-L693 WeakPolarHBondContact O-CB 3.2Å; W682-L693 HydrophobicContact CD2-CB 4.05Å; W682-L693 HydrophobicContact CD2-CD2 4.25Å; W682-L693 HydrophobicContact CE3-CB 3.9Å; W682-L693 HydrophobicContact CE3-CD2 4.09Å; W682-L693 HydrophobicContact CG-CB 4.4Å; W682-L693 HydrophobicContact CH2-CD2 3.99Å; W682-L693 HydrophobicContact CZ2-CD2 4.11Å; W682-L693 HydrophobicContact CZ3-CD2 3.96Å; L693-A695 HydrophobicContact CD1-CB 4.28Å; L693-L705 HydrophobicContact CD1-CB 3.87Å; L693-L705 HydrophobicContact CD1-CD1 3.92Å; L693-L705 HydrophobicContact CD1-CG 4.35Å; L693-L705 HydrophobicContact CG-CB 4.34Å; L693-L705 PolarHBondContact N-O 3.4Å; L693-L705 PolarHBondContact O-N 3.09Å
694	I	97.8	Very high	87.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.8	169.8	-52.3	-174.2	0	0	0	108.1	I404 F406 F413 V680 C681 I702 K703 V704	I404-I694 HydrophobicContact CD1-CG2 4.02Å; I404-I694 HydrophobicContact CG2-CB 4.35Å; I404-I694 HydrophobicContact CG2-CG2 4.36Å; F406-I694 HydrophobicContact CE1-CD1 4.27Å; F406-I694 HydrophobicContact CE2-CD1 3.83Å; F406-I694 HydrophobicContact CE2-CG1 3.92Å; F406-I694 HydrophobicContact CZ-CD1 3.44Å; F406-I694 VanDerWaalsContact CZ-CD1 3.44Å; F406-I694 HydrophobicContact CZ-CG1 3.83Å; F413-I694 HydrophobicContact CB-CD1 4.15Å; F413-I694 HydrophobicContact CD1-CD1 3.54Å; F413-I694 HydrophobicContact CD2-CD1 3.84Å; F413-I694 HydrophobicContact CE1-CD1 3.79Å; F413-I694 HydrophobicContact CE2-CD1 4.08Å; F413-I694 HydrophobicContact CG-CD1 3.57Å; F413-I694 HydrophobicContact CZ-CD1 4.05Å; V680-I694 CarbonylContact C-O 3.59Å; V680-I694 WeakPolarHBondContact CA-O 3.43Å; C681-I694 PolarHBondContact N-O 2.94Å; C681-I694 PolarHBondContact O-N 3.02Å; I694-I702 HydrophobicContact CG2-CG2 3.55Å; I694-K703 WeakPolarHBondContact CA-O 3.49Å; I694-V704 HydrophobicContact CD1-CG2 4.19Å; I694-V704 HydrophobicContact CG1-CG1 4.44Å; I694-V704 HydrophobicContact CG1-CG2 4.14Å
695	A	97.9	Very high	88.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.8	174.5	0	0	0	0	0	110.5	L641 F657 A679 V680 L693 I702 K703 L705	L641-A695 HydrophobicContact CD1-CB 4.48Å; L641-A695 HydrophobicContact CD2-CB 4.16Å; F657-A695 HydrophobicContact CE2-CB 4.22Å; F657-A695 HydrophobicContact CZ-CB 3.83Å; A679-A695 CarbonylContact O-C 3.56Å; A679-A695 WeakPolarHBondContact O-CA 3.42Å; V680-A695 HydrophobicContact CG1-CB 3.99Å; L693-A695 HydrophobicContact CD1-CB 4.28Å; A695-I702 CarbonylContact O-C 3.58Å; A695-I702 WeakPolarHBondContact O-CA 3.4Å; A695-K703 PolarHBondContact N-O 2.98Å; A695-K703 PolarHBondContact O-N 2.91Å; A695-L705 HydrophobicContact CB-CD1 4.24Å
696	A	96.9	Very high	88.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156	174.3	0	0	0	0	0	112.3	V401 I404 S678 A679 T701 I702	V401-A696 HydrophobicContact CB-CB 3.82Å; V401-A696 HydrophobicContact CG1-CB 3.99Å; V401-A696 HydrophobicContact CG2-CB 3.93Å; I404-A696 HydrophobicContact CD1-CB 3.8Å; S678-A696 PolarHBondContact N-O 2.73Å; S678-A696 PolarHBondContact OG-O 3.49Å; A679-A696 PolarHBondContact N-O 3.16Å; A679-A696 PolarHBondContact O-N 2.78Å; A696-T701 WeakPolarHBondContact CA-O 3.45Å; A696-I702 HydrophobicContact CB-CB 4.21Å; A696-I702 HydrophobicContact CB-CG1 3.73Å; A696-I702 HydrophobicContact CB-CG2 4.42Å
697	N	95	Very high	89.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	177.6	-176.5	79.1	0.1	0	0	0	114.1	N639 F657 F676 V677 S678 Q699 G700 T701	N639-N697 PolarHBondContact ND2-ND2 3.37Å; N639-N697 WeakPolarHBondContact OD1-CB 3.5Å; N639-N697 PolarHBondContact OD1-ND2 3.13Å; F657-N697 HydrophobicContact CD1-CB 4.26Å; F657-N697 HydrophobicContact CE1-CB 4.46Å; F676-N697 CarbonylContact O-C 3.5Å; F676-N697 WeakPolarHBondContact O-CA 3.28Å; F676-N697 WeakPolarHBondContact O-CB 3.24Å; V677-N697 HydrophobicContact CG2-CB 4.47Å; S678-N697 VanDerWaalsContact OG-C 3.31Å; S678-N697 PolarHBondContact OG-O 3.29Å; N697-Q699 PolarHBondContact O-N 2.62Å; N697-Q699 PolarHBondContact OD1-N 3.4Å; N697-Q699 WeakPolarHBondContact OD1-CB 3.26Å; N697-G700 WeakPolarHBondContact O-CA 3.13Å; N697-G700 PolarHBondContact O-N 2.68Å; N697-G700 PolarHBondContact OD1-N 3.07Å; N697-T701 PolarHBondContact N-O 3.18Å; N697-T701 WeakPolarHBondContact OD1-CB 3.02Å; N697-T701 PolarHBondContact OD1-N 3.23Å; N697-T701 PolarHBondContact OD1-O 2.81Å
698	S	93	Very high	90.5	Very high	17 Å²	17	23.4 Å²	23.4	12%	0.119	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.4	-179.5	60.9	0	0	0	0	114.9	I400 E675 F676 G700	I400-S698 WeakPolarHBondContact CG1-O 3.2Å; E675-S698 WeakPolarHBondContact CA-OG 3.42Å; F676-S698 PolarHBondContact N-OG 2.96Å; F676-S698 VanDerWaalsContact N-OG 3.09Å; F676-S698 PolarHBondContact O-N 3.32Å; F676-S698 PolarHBondContact O-OG 2.87Å; S698-G700 VanDerWaalsContact C-N 3.27Å
699	Q	90.4	Very high	92	Very high	48 Å²	48	21.9 Å²	21.9	22%	0.224	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.3	169.7	-60	-169.9	-34.4	0	0	112.3	S399 E675 N697 T701	S399-Q699 WeakPolarHBondContact CB-O 3.25Å; S399-Q699 PolarHBondContact OG-O 3.44Å; E675-Q699 HydrophobicContact CG-CG 4.25Å; E675-Q699 PolarHBondContact OE1-NE2 3.36Å; N697-Q699 PolarHBondContact O-N 2.62Å; N697-Q699 PolarHBondContact OD1-N 3.4Å; N697-Q699 WeakPolarHBondContact OD1-CB 3.26Å; Q699-T701 VanDerWaalsContact C-N 3.33Å
700	G	91.3	Very high	93.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.			trans	82.1	9.9	-171.8	0	0	0	0	0	113.8	Y390 S399 N697 S698 I702	Y390-G700 WeakPolarHBondContact CB-O 3.18Å; Y390-G700 PolarHBondContact N-O 3.17Å; S399-G700 WeakPolarHBondContact O-CA 3.31Å; S399-G700 PolarHBondContact O-N 2.62Å; N697-G700 WeakPolarHBondContact O-CA 3.13Å; N697-G700 PolarHBondContact O-N 2.68Å; N697-G700 PolarHBondContact OD1-N 3.07Å; S698-G700 VanDerWaalsContact C-N 3.27Å; G700-I702 PolarHBondContact O-N 2.84Å
701	T	92.9	Very high	94.3	Very high	22 Å²	22	16.8 Å²	16.8	14%	0.135	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.2	170.3	-55.3	0	0	0	0	108.5	T387 F657 A696 N697 Q699	T387-T701 HydrophobicContact CG2-CG2 4.02Å; F657-T701 HydrophobicContact CD1-CG2 4.2Å; F657-T701 HydrophobicContact CE1-CG2 4.49Å; A696-T701 WeakPolarHBondContact CA-O 3.45Å; N697-T701 PolarHBondContact N-O 3.18Å; N697-T701 WeakPolarHBondContact OD1-CB 3.02Å; N697-T701 PolarHBondContact OD1-N 3.23Å; N697-T701 PolarHBondContact OD1-O 2.81Å; Q699-T701 VanDerWaalsContact C-N 3.33Å
702	I	94.9	Very high	94.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.2	177	-55	142.1	0	0	0	107.6	T387 L388 V401 I415 I694 A695 A696 G700	T387-I702 CarbonylContact C-O 3.57Å; T387-I702 VanDerWaalsContact CA-O 3.29Å; T387-I702 WeakPolarHBondContact CA-O 3.35Å; L388-I702 HydrophobicContact CB-CB 4.16Å; L388-I702 HydrophobicContact CB-CD1 4.02Å; L388-I702 HydrophobicContact CD1-CB 4.26Å; L388-I702 HydrophobicContact CD1-CG2 4Å; L388-I702 PolarHBondContact N-O 3.42Å; L388-I702 PolarHBondContact O-N 3.21Å; V401-I702 HydrophobicContact CG2-CG1 4.38Å; I415-I702 HydrophobicContact CD1-CB 4.49Å; I415-I702 HydrophobicContact CD1-CD1 3.48Å; I415-I702 VanDerWaalsContact CD1-CD1 3.48Å; I415-I702 HydrophobicContact CD1-CG1 3.88Å; I415-I702 HydrophobicContact CD1-CG2 3.88Å; I415-I702 HydrophobicContact CG2-CD1 4.45Å; I694-I702 HydrophobicContact CG2-CG2 3.55Å; A695-I702 CarbonylContact O-C 3.58Å; A695-I702 WeakPolarHBondContact O-CA 3.4Å; A696-I702 HydrophobicContact CB-CB 4.21Å; A696-I702 HydrophobicContact CB-CG1 3.73Å; A696-I702 HydrophobicContact CB-CG2 4.42Å; G700-I702 PolarHBondContact O-N 2.84Å
703	K	95.4	Very high	94.4	Very high	13 Å²	13	14.6 Å²	14.6	6%	0.057	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.2	171.4	-68.2	-177.4	-177.2	-83.4	0	110.9	A386 T387 F655 F657 D658 I694 A695 L705	A386-K703 WeakPolarHBondContact O-CA 3.38Å; T387-K703 HydrophobicContact CG2-CG 4.07Å; T387-K703 PolarHBondContact OG1-NZ 2.91Å; T387-K703 VanDerWaalsContact OG1-NZ 3.12Å; F655-K703 HydrophobicContact CE1-CD 3.75Å; F655-K703 HydrophobicContact CZ-CD 3.63Å; F657-K703 HydrophobicContact CD1-CD 4.2Å; F657-K703 HydrophobicContact CE1-CB 4.27Å; F657-K703 HydrophobicContact CE1-CD 4.12Å; F657-K703 HydrophobicContact CE1-CG 4.04Å; F657-K703 HydrophobicContact CZ-CB 4.48Å; D658-K703 WeakPolarHBondContact OD2-CE 3.37Å; D658-K703 IonicContact OD2-NZ 2.95Å; D658-K703 PolarHBondContact OD2-NZ 2.73Å; I694-K703 WeakPolarHBondContact CA-O 3.49Å; A695-K703 PolarHBondContact N-O 2.98Å; A695-K703 PolarHBondContact O-N 2.91Å; K703-L705 HydrophobicContact CB-CD2 3.88Å; K703-L705 HydrophobicContact CB-CG 4.12Å
704	V	96.1	Very high	94.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.9	165.6	-174.5	0	0	0	0	107	P384 L385 A386 L388 Y427 V430 I431 V692 I694	P384-V704 WeakPolarHBondContact CA-O 3.36Å; L385-V704 HydrophobicContact CB-CB 4.31Å; L385-V704 HydrophobicContact CB-CG1 4.19Å; L385-V704 HydrophobicContact CD1-CG1 4.22Å; L385-V704 PolarHBondContact N-O 2.84Å; A386-V704 HydrophobicContact CB-CB 4.19Å; A386-V704 HydrophobicContact CB-CG2 4.02Å; A386-V704 PolarHBondContact O-N 2.73Å; L388-V704 HydrophobicContact CD1-CG2 4.31Å; Y427-V704 HydrophobicContact CE2-CG1 3.96Å; V430-V704 HydrophobicContact CG1-CG2 4.1Å; I431-V704 HydrophobicContact CG2-CG1 4.07Å; V692-V704 HydrophobicContact CG1-CG1 3.76Å; I694-V704 HydrophobicContact CD1-CG2 4.19Å; I694-V704 HydrophobicContact CG1-CG1 4.44Å; I694-V704 HydrophobicContact CG1-CG2 4.14Å
705	L	96.2	Very high	94	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.1	-168.3	-60.7	176.2	0	0	0	110.7	V382 P384 L641 F655 V692 L693 A695 K703	V382-L705 HydrophobicContact CG1-CB 3.87Å; V382-L705 HydrophobicContact CG1-CD1 4.35Å; V382-L705 HydrophobicContact CG1-CD2 4.25Å; V382-L705 HydrophobicContact CG1-CG 4.38Å; P384-L705 HydrophobicContact CB-CD2 4.17Å; P384-L705 HydrophobicContact CG-CD2 4.07Å; L641-L705 HydrophobicContact CD2-CD1 3.59Å; F655-L705 HydrophobicContact CD1-CD1 3.68Å; F655-L705 HydrophobicContact CD1-CD2 4.2Å; F655-L705 HydrophobicContact CD2-CD2 4.22Å; F655-L705 HydrophobicContact CE1-CD1 4.06Å; F655-L705 HydrophobicContact CE1-CD2 3.95Å; F655-L705 HydrophobicContact CE2-CD2 3.96Å; F655-L705 HydrophobicContact CG-CD1 4.05Å; F655-L705 HydrophobicContact CG-CD2 4.34Å; F655-L705 HydrophobicContact CZ-CD2 3.84Å; V692-L705 WeakPolarHBondContact CA-O 3.46Å; L693-L705 HydrophobicContact CD1-CB 3.87Å; L693-L705 HydrophobicContact CD1-CD1 3.92Å; L693-L705 HydrophobicContact CD1-CG 4.35Å; L693-L705 HydrophobicContact CG-CB 4.34Å; L693-L705 PolarHBondContact N-O 3.4Å; L693-L705 PolarHBondContact O-N 3.09Å; A695-L705 HydrophobicContact CB-CD1 4.24Å; K703-L705 HydrophobicContact CB-CD2 3.88Å; K703-L705 HydrophobicContact CB-CG 4.12Å
706	E	95.1	Very high	93.7	Very high	52 Å²	52	17.8 Å²	17.8	24%	0.243	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.3	175.1	176.2	-179.4	-121	0	0	110.4	V382 R383 L385 V692 V708	V382-E706 CarbonylContact C-O 3.59Å; V382-E706 WeakPolarHBondContact CA-O 3.1Å; R383-E706 HydrophobicContact CB-CB 4.39Å; R383-E706 WeakPolarHBondContact CD-OE2 3.28Å; R383-E706 PolarHBondContact N-O 2.99Å; R383-E706 IonicContact NH1-OE2 2.88Å; R383-E706 PolarHBondContact NH1-OE2 3.22Å; R383-E706 PolarHBondContact O-N 3Å; L385-E706 HydrophobicContact CD1-CB 4.1Å; L385-E706 HydrophobicContact CD2-CB 4.01Å; L385-E706 HydrophobicContact CG-CB 3.97Å; V692-E706 HydrophobicContact CG2-CB 4.41Å; E706-V708 HydrophobicContact CG-CG2 3.84Å
707	L	93.3	Very high	93.4	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.3	172.4	-58.1	-177.2	0	0	0	111	Y379 V382 L643 L653 W682 N691	Y379-L707 HydrophobicContact CD1-CB 3.55Å; Y379-L707 HydrophobicContact CD2-CB 4.14Å; Y379-L707 HydrophobicContact CD2-CD1 3.82Å; Y379-L707 HydrophobicContact CE1-CB 3.8Å; Y379-L707 HydrophobicContact CE2-CB 4.34Å; Y379-L707 HydrophobicContact CE2-CD1 3.88Å; Y379-L707 HydrophobicContact CG-CB 3.74Å; Y379-L707 HydrophobicContact CG-CD1 4.24Å; V382-L707 HydrophobicContact CB-CD2 4.43Å; V382-L707 HydrophobicContact CG1-CD2 4.22Å; V382-L707 HydrophobicContact CG2-CD2 3.76Å; L643-L707 HydrophobicContact CD1-CD1 4.25Å; L643-L707 HydrophobicContact CD2-CD1 3.65Å; L643-L707 HydrophobicContact CD2-CD2 4.04Å; L653-L707 HydrophobicContact CD1-CD2 4.45Å; W682-L707 HydrophobicContact CH2-CD1 3.57Å; W682-L707 HydrophobicContact CZ3-CD1 3.79Å; N691-L707 HydrophobicContact CB-CB 4.32Å; N691-L707 PolarHBondContact ND2-O 2.85Å; N691-L707 WeakPolarHBondContact O-CG 3.41Å; N691-L707 PolarHBondContact O-N 3.46Å
708	V	87.3	Confident	93.3	Very high	76 Å²	76	21 Å²	21	46%	0.461	11%	0.114	S	C	.	.			trans	-134.9	0	-171.2	-173	0	0	0	0	110.8	N380 S381 R383 E706	N380-V708 CarbonylContact C-O 3.59Å; N380-V708 WeakPolarHBondContact CA-O 3.25Å; N380-V708 VanDerWaalsContact CG-O 3.28Å; N380-V708 PolarHBondContact N-O 3.38Å; N380-V708 VanDerWaalsContact ND2-C 3.28Å; N380-V708 PolarHBondContact ND2-O 3.08Å; N380-V708 VanDerWaalsContact ND2-O 3.08Å; N380-V708 PolarHBondContact ND2-OXT 2.92Å; S381-V708 PolarHBondContact N-O 3.19Å; S381-V708 PolarHBondContact O-N 2.68Å; S381-V708 VanDerWaalsContact O-N 3.15Å; S381-V708 PolarHBondContact OG-O 3.31Å; R383-V708 HydrophobicContact CB-CG2 4.23Å; E706-V708 HydrophobicContact CG-CG2 3.84Å

Retrieved 708 of 708 residues in 127.8 ms (Link to these results)

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